# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7f440593-7963-4b9a-a6e8-0756bc6cc108/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 Ca3Si2SnO9 / P2_1/c (14) / materials id 15095](https://mdr.nims.go.jp/datasets/43b9173d-6980-4a8d-b702-3aaa1498b44d) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.332822700000000, 0.000000000000000, 0.000467970000000 ] # a - [ 0.000000000000000, 10.068717749999999, 0.000000000000000 ] # b - [ -0.216827150000000, 0.000000000000000, 10.390402670000000 ] # c points: - symbol: O # 1 coordinates: [ 0.158281290000000, 0.609289580000000, 0.982859400000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.841718710000000, 0.109289580000000, 0.517140600000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.841718710000000, 0.390710420000000, 0.017140600000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.158281290000000, 0.890710420000000, 0.482859400000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.591023590000000, 0.882588510000000, 0.509539700000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.408976410000000, 0.382588510000000, 0.990460300000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.408976410000000, 0.117411490000000, 0.490460300000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.591023590000000, 0.617411490000000, 0.009539700000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.880045580000000, 0.829691890000000, 0.956573730000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.119954420000000, 0.329691890000000, 0.543426270000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.119954420000000, 0.170308110000000, 0.043426270000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.880045580000000, 0.670308110000000, 0.456573730000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.802021050000000, 0.002363450000000, 0.764188220000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.197978950000000, 0.502363450000000, 0.735811780000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.645866290000000, 0.107659320000000, 0.031134580000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.197978950000000, 0.997636550000000, 0.235811780000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.852586950000000, 0.768478660000000, 0.220099410000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.147413050000000, 0.268478660000000, 0.279900590000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.147413050000000, 0.231521340000000, 0.779900590000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.852586950000000, 0.731521340000000, 0.720099410000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.601640050000000, 0.231321350000000, 0.739777490000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.398359950000000, 0.731321350000000, 0.760222510000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.398359950000000, 0.768678650000000, 0.260222510000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.601640050000000, 0.268678650000000, 0.239777490000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.115887980000000, 0.607690230000000, 0.267442960000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.884112020000000, 0.107690230000000, 0.232557040000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.884112020000000, 0.392309770000000, 0.732557040000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.115887980000000, 0.892309770000000, 0.767442960000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.585804610000000, 0.995470790000000, 0.258649280000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.414195390000000, 0.495470790000000, 0.241350720000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.414195390000000, 0.004529210000000, 0.741350720000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.585804610000000, 0.504529210000000, 0.758649280000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.645866290000000, 0.392340680000000, 0.531134580000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.354133710000000, 0.892340680000000, 0.968865420000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.354133710000000, 0.607659320000000, 0.468865420000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.802021050000000, 0.497636550000000, 0.264188220000000 ] mass: 15.999400 - symbol: Si # 37 coordinates: [ 0.899246950000000, 0.862948300000000, 0.805443270000000 ] mass: 28.085500 - symbol: Si # 38 coordinates: [ 0.100753050000000, 0.362948300000000, 0.694556730000000 ] mass: 28.085500 - symbol: Si # 39 coordinates: [ 0.100753050000000, 0.137051700000000, 0.194556730000000 ] mass: 28.085500 - symbol: Si # 40 coordinates: [ 0.899246950000000, 0.637051700000000, 0.305443270000000 ] mass: 28.085500 - symbol: Si # 41 coordinates: [ 0.332487890000000, 0.875261530000000, 0.815604720000000 ] mass: 28.085500 - symbol: Si # 42 coordinates: [ 0.667512110000000, 0.375261530000000, 0.684395280000000 ] mass: 28.085500 - symbol: Si # 43 coordinates: [ 0.667512110000000, 0.124738470000000, 0.184395280000000 ] mass: 28.085500 - symbol: Si # 44 coordinates: [ 0.332487890000000, 0.624738470000000, 0.315604720000000 ] mass: 28.085500 - symbol: Ca # 45 coordinates: [ 0.137050980000000, 0.079938690000000, 0.610243490000000 ] mass: 40.078000 - symbol: Ca # 46 coordinates: [ 0.862949020000000, 0.579938690000000, 0.889756510000000 ] mass: 40.078000 - symbol: Ca # 47 coordinates: [ 0.862949020000000, 0.920061310000000, 0.389756510000000 ] mass: 40.078000 - symbol: Ca # 48 coordinates: [ 0.137050980000000, 0.420061310000000, 0.110243490000000 ] mass: 40.078000 - symbol: Ca # 49 coordinates: [ 0.618411010000000, 0.665723070000000, 0.583857030000000 ] mass: 40.078000 - symbol: Ca # 50 coordinates: [ 0.381588990000000, 0.165723070000000, 0.916142970000000 ] mass: 40.078000 - symbol: Ca # 51 coordinates: [ 0.381588990000000, 0.334276930000000, 0.416142970000000 ] mass: 40.078000 - symbol: Ca # 52 coordinates: [ 0.618411010000000, 0.834276930000000, 0.083857030000000 ] mass: 40.078000 - symbol: Ca # 53 coordinates: [ 0.127169370000000, 0.696376730000000, 0.597014910000000 ] mass: 40.078000 - symbol: Ca # 54 coordinates: [ 0.872830630000000, 0.196376730000000, 0.902985090000000 ] mass: 40.078000 - symbol: Ca # 55 coordinates: [ 0.872830630000000, 0.303623270000000, 0.402985090000000 ] mass: 40.078000 - symbol: Ca # 56 coordinates: [ 0.127169370000000, 0.803623270000000, 0.097014910000000 ] mass: 40.078000 - symbol: Sn # 57 coordinates: [ 0.619814290000000, 0.440392320000000, 0.117583920000000 ] mass: 118.710000 - symbol: Sn # 58 coordinates: [ 0.380185710000000, 0.940392320000000, 0.382416080000000 ] mass: 118.710000 - symbol: Sn # 59 coordinates: [ 0.380185710000000, 0.559607680000000, 0.882416080000000 ] mass: 118.710000 - symbol: Sn # 60 coordinates: [ 0.619814290000000, 0.059607680000000, 0.617583920000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ 0.136372950655850, 0.000000000000000, 0.002845833714720 ] # a* - [ 0.000000000000000, 0.099317512401219, 0.000000000000000 ] # b* - [ -0.000006142057411, 0.000000000000000, 0.096242532652028 ] # c*unit_cell: lattice: - [ 7.332822700000000, 0.000000000000000, 0.000467970000000 ] # a - [ 0.000000000000000, 10.068717749999999, 0.000000000000000 ] # b - [ -0.216827150000000, 0.000000000000000, 10.390402670000000 ] # c points: - symbol: O # 1 coordinates: [ 0.158281290000000, 0.609289580000000, 0.982859400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.841718710000000, 0.109289580000000, 0.517140600000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.841718710000000, 0.390710420000000, 0.017140600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.158281290000000, 0.890710420000000, 0.482859400000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.591023590000000, 0.882588510000000, 0.509539700000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.408976410000000, 0.382588510000000, 0.990460300000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.408976410000000, 0.117411490000000, 0.490460300000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.591023590000000, 0.617411490000000, 0.009539700000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.880045580000000, 0.829691890000000, 0.956573730000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.119954420000000, 0.329691890000000, 0.543426270000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.119954420000000, 0.170308110000000, 0.043426270000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.880045580000000, 0.670308110000000, 0.456573730000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.802021050000000, 0.002363450000000, 0.764188220000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.197978950000000, 0.502363450000000, 0.735811780000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.645866290000000, 0.107659320000000, 0.031134580000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.197978950000000, 0.997636550000000, 0.235811780000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.852586950000000, 0.768478660000000, 0.220099410000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.147413050000000, 0.268478660000000, 0.279900590000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.147413050000000, 0.231521340000000, 0.779900590000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.852586950000000, 0.731521340000000, 0.720099410000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.601640050000000, 0.231321350000000, 0.739777490000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.398359950000000, 0.731321350000000, 0.760222510000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.398359950000000, 0.768678650000000, 0.260222510000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.601640050000000, 0.268678650000000, 0.239777490000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.115887980000000, 0.607690230000000, 0.267442960000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.884112020000000, 0.107690230000000, 0.232557040000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.884112020000000, 0.392309770000000, 0.732557040000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.115887980000000, 0.892309770000000, 0.767442960000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.585804610000000, 0.995470790000000, 0.258649280000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.414195390000000, 0.495470790000000, 0.241350720000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.414195390000000, 0.004529210000000, 0.741350720000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.585804610000000, 0.504529210000000, 0.758649280000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.645866290000000, 0.392340680000000, 0.531134580000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.354133710000000, 0.892340680000000, 0.968865420000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.354133710000000, 0.607659320000000, 0.468865420000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.802021050000000, 0.497636550000000, 0.264188220000000 ] mass: 15.999400 reduced_to: 36 - symbol: Si # 37 coordinates: [ 0.899246950000000, 0.862948300000000, 0.805443270000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.100753050000000, 0.362948300000000, 0.694556730000000 ] mass: 28.085500 reduced_to: 38 - symbol: Si # 39 coordinates: [ 0.100753050000000, 0.137051700000000, 0.194556730000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.899246950000000, 0.637051700000000, 0.305443270000000 ] mass: 28.085500 reduced_to: 40 - symbol: Si # 41 coordinates: [ 0.332487890000000, 0.875261530000000, 0.815604720000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.667512110000000, 0.375261530000000, 0.684395280000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.667512110000000, 0.124738470000000, 0.184395280000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.332487890000000, 0.624738470000000, 0.315604720000000 ] mass: 28.085500 reduced_to: 44 - symbol: Ca # 45 coordinates: [ 0.137050980000000, 0.079938690000000, 0.610243490000000 ] mass: 40.078000 reduced_to: 45 - symbol: Ca # 46 coordinates: [ 0.862949020000000, 0.579938690000000, 0.889756510000000 ] mass: 40.078000 reduced_to: 46 - symbol: Ca # 47 coordinates: [ 0.862949020000000, 0.920061310000000, 0.389756510000000 ] mass: 40.078000 reduced_to: 47 - symbol: Ca # 48 coordinates: [ 0.137050980000000, 0.420061310000000, 0.110243490000000 ] mass: 40.078000 reduced_to: 48 - symbol: Ca # 49 coordinates: [ 0.618411010000000, 0.665723070000000, 0.583857030000000 ] mass: 40.078000 reduced_to: 49 - symbol: Ca # 50 coordinates: [ 0.381588990000000, 0.165723070000000, 0.916142970000000 ] mass: 40.078000 reduced_to: 50 - symbol: Ca # 51 coordinates: [ 0.381588990000000, 0.334276930000000, 0.416142970000000 ] mass: 40.078000 reduced_to: 51 - symbol: Ca # 52 coordinates: [ 0.618411010000000, 0.834276930000000, 0.083857030000000 ] mass: 40.078000 reduced_to: 52 - symbol: Ca # 53 coordinates: [ 0.127169370000000, 0.696376730000000, 0.597014910000000 ] mass: 40.078000 reduced_to: 53 - symbol: Ca # 54 coordinates: [ 0.872830630000000, 0.196376730000000, 0.902985090000000 ] mass: 40.078000 reduced_to: 54 - symbol: Ca # 55 coordinates: [ 0.872830630000000, 0.303623270000000, 0.402985090000000 ] mass: 40.078000 reduced_to: 55 - symbol: Ca # 56 coordinates: [ 0.127169370000000, 0.803623270000000, 0.097014910000000 ] mass: 40.078000 reduced_to: 56 - symbol: Sn # 57 coordinates: [ 0.619814290000000, 0.440392320000000, 0.117583920000000 ] mass: 118.710000 reduced_to: 57 - symbol: Sn # 58 coordinates: [ 0.380185710000000, 0.940392320000000, 0.382416080000000 ] mass: 118.710000 reduced_to: 58 - symbol: Sn # 59 coordinates: [ 0.380185710000000, 0.559607680000000, 0.882416080000000 ] mass: 118.710000 reduced_to: 59 - symbol: Sn # 60 coordinates: [ 0.619814290000000, 0.059607680000000, 0.617583920000000 ] mass: 118.710000 reduced_to: 60supercell: lattice: - [ 14.665645400000001, 0.000000000000000, 0.000935940000000 ] # a - [ 0.000000000000000, 10.068717749999999, 0.000000000000000 ] # b - [ -0.216827150000000, 0.000000000000000, 10.390402670000000 ] # c points: - symbol: O # 1 coordinates: [ 0.079140645000000, 0.609289580000000, 0.982859400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.579140645000000, 0.609289580000000, 0.982859400000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.420859355000000, 0.109289580000000, 0.517140600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.920859355000000, 0.109289580000000, 0.517140600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.420859355000000, 0.390710420000000, 0.017140600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.920859355000000, 0.390710420000000, 0.017140600000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.079140645000000, 0.890710420000000, 0.482859400000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.579140645000000, 0.890710420000000, 0.482859400000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.295511795000000, 0.882588510000000, 0.509539700000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.795511795000000, 0.882588510000000, 0.509539700000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.204488205000000, 0.382588510000000, 0.990460300000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.704488205000000, 0.382588510000000, 0.990460300000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.204488205000000, 0.117411490000000, 0.490460300000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.704488205000000, 0.117411490000000, 0.490460300000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.295511795000000, 0.617411490000000, 0.009539700000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.795511795000000, 0.617411490000000, 0.009539700000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.440022790000000, 0.829691890000000, 0.956573730000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.940022790000000, 0.829691890000000, 0.956573730000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.059977210000000, 0.329691890000000, 0.543426270000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.559977210000000, 0.329691890000000, 0.543426270000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.059977210000000, 0.170308110000000, 0.043426270000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.559977210000000, 0.170308110000000, 0.043426270000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.440022790000000, 0.670308110000000, 0.456573730000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.940022790000000, 0.670308110000000, 0.456573730000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.401010525000000, 0.002363450000000, 0.764188220000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.901010525000000, 0.002363450000000, 0.764188220000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.098989475000000, 0.502363450000000, 0.735811780000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.598989475000000, 0.502363450000000, 0.735811780000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.322933145000000, 0.107659320000000, 0.031134580000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.822933145000000, 0.107659320000000, 0.031134580000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.098989475000000, 0.997636550000000, 0.235811780000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.598989475000000, 0.997636550000000, 0.235811780000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.426293475000000, 0.768478660000000, 0.220099410000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.926293475000000, 0.768478660000000, 0.220099410000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.073706525000000, 0.268478660000000, 0.279900590000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.573706525000000, 0.268478660000000, 0.279900590000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.073706525000000, 0.231521340000000, 0.779900590000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.573706525000000, 0.231521340000000, 0.779900590000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.426293475000000, 0.731521340000000, 0.720099410000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.926293475000000, 0.731521340000000, 0.720099410000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.300820025000000, 0.231321350000000, 0.739777490000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.800820025000000, 0.231321350000000, 0.739777490000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.199179975000000, 0.731321350000000, 0.760222510000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.699179975000000, 0.731321350000000, 0.760222510000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.199179975000000, 0.768678650000000, 0.260222510000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.699179975000000, 0.768678650000000, 0.260222510000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.300820025000000, 0.268678650000000, 0.239777490000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.800820025000000, 0.268678650000000, 0.239777490000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.057943990000000, 0.607690230000000, 0.267442960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.557943990000000, 0.607690230000000, 0.267442960000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.442056010000000, 0.107690230000000, 0.232557040000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.942056010000000, 0.107690230000000, 0.232557040000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.442056010000000, 0.392309770000000, 0.732557040000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.942056010000000, 0.392309770000000, 0.732557040000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.057943990000000, 0.892309770000000, 0.767442960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.557943990000000, 0.892309770000000, 0.767442960000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.292902305000000, 0.995470790000000, 0.258649280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.792902305000000, 0.995470790000000, 0.258649280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.207097695000000, 0.495470790000000, 0.241350720000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.707097695000000, 0.495470790000000, 0.241350720000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.207097695000000, 0.004529210000000, 0.741350720000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.707097695000000, 0.004529210000000, 0.741350720000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.292902305000000, 0.504529210000000, 0.758649280000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.792902305000000, 0.504529210000000, 0.758649280000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.322933145000000, 0.392340680000000, 0.531134580000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.822933145000000, 0.392340680000000, 0.531134580000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.177066855000000, 0.892340680000000, 0.968865420000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.677066855000000, 0.892340680000000, 0.968865420000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.177066855000000, 0.607659320000000, 0.468865420000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.677066855000000, 0.607659320000000, 0.468865420000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.401010525000000, 0.497636550000000, 0.264188220000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.901010525000000, 0.497636550000000, 0.264188220000000 ] mass: 15.999400 reduced_to: 71 - symbol: Si # 73 coordinates: [ 0.449623475000000, 0.862948300000000, 0.805443270000000 ] mass: 28.085500 reduced_to: 73 - symbol: Si # 74 coordinates: [ 0.949623475000000, 0.862948300000000, 0.805443270000000 ] mass: 28.085500 reduced_to: 73 - symbol: Si # 75 coordinates: [ 0.050376525000000, 0.362948300000000, 0.694556730000000 ] mass: 28.085500 reduced_to: 75 - symbol: Si # 76 coordinates: [ 0.550376525000000, 0.362948300000000, 0.694556730000000 ] mass: 28.085500 reduced_to: 75 - symbol: Si # 77 coordinates: [ 0.050376525000000, 0.137051700000000, 0.194556730000000 ] mass: 28.085500 reduced_to: 77 - symbol: Si # 78 coordinates: [ 0.550376525000000, 0.137051700000000, 0.194556730000000 ] mass: 28.085500 reduced_to: 77 - symbol: Si # 79 coordinates: [ 0.449623475000000, 0.637051700000000, 0.305443270000000 ] mass: 28.085500 reduced_to: 79 - symbol: Si # 80 coordinates: [ 0.949623475000000, 0.637051700000000, 0.305443270000000 ] mass: 28.085500 reduced_to: 79 - symbol: Si # 81 coordinates: [ 0.166243945000000, 0.875261530000000, 0.815604720000000 ] mass: 28.085500 reduced_to: 81 - symbol: Si # 82 coordinates: [ 0.666243945000000, 0.875261530000000, 0.815604720000000 ] mass: 28.085500 reduced_to: 81 - symbol: Si # 83 coordinates: [ 0.333756055000000, 0.375261530000000, 0.684395280000000 ] mass: 28.085500 reduced_to: 83 - symbol: Si # 84 coordinates: [ 0.833756055000000, 0.375261530000000, 0.684395280000000 ] mass: 28.085500 reduced_to: 83 - symbol: Si # 85 coordinates: [ 0.333756055000000, 0.124738470000000, 0.184395280000000 ] mass: 28.085500 reduced_to: 85 - symbol: Si # 86 coordinates: [ 0.833756055000000, 0.124738470000000, 0.184395280000000 ] mass: 28.085500 reduced_to: 85 - symbol: Si # 87 coordinates: [ 0.166243945000000, 0.624738470000000, 0.315604720000000 ] mass: 28.085500 reduced_to: 87 - symbol: Si # 88 coordinates: [ 0.666243945000000, 0.624738470000000, 0.315604720000000 ] mass: 28.085500 reduced_to: 87 - symbol: Ca # 89 coordinates: [ 0.068525490000000, 0.079938690000000, 0.610243490000000 ] mass: 40.078000 reduced_to: 89 - symbol: Ca # 90 coordinates: [ 0.568525490000000, 0.079938690000000, 0.610243490000000 ] mass: 40.078000 reduced_to: 89 - symbol: Ca # 91 coordinates: [ 0.431474510000000, 0.579938690000000, 0.889756510000000 ] mass: 40.078000 reduced_to: 91 - symbol: Ca # 92 coordinates: [ 0.931474510000000, 0.579938690000000, 0.889756510000000 ] mass: 40.078000 reduced_to: 91 - symbol: Ca # 93 coordinates: [ 0.431474510000000, 0.920061310000000, 0.389756510000000 ] mass: 40.078000 reduced_to: 93 - symbol: Ca # 94 coordinates: [ 0.931474510000000, 0.920061310000000, 0.389756510000000 ] mass: 40.078000 reduced_to: 93 - symbol: Ca # 95 coordinates: [ 0.068525490000000, 0.420061310000000, 0.110243490000000 ] mass: 40.078000 reduced_to: 95 - symbol: Ca # 96 coordinates: [ 0.568525490000000, 0.420061310000000, 0.110243490000000 ] mass: 40.078000 reduced_to: 95 - symbol: Ca # 97 coordinates: [ 0.309205505000000, 0.665723070000000, 0.583857030000000 ] mass: 40.078000 reduced_to: 97 - symbol: Ca # 98 coordinates: [ 0.809205505000000, 0.665723070000000, 0.583857030000000 ] mass: 40.078000 reduced_to: 97 - symbol: Ca # 99 coordinates: [ 0.190794495000000, 0.165723070000000, 0.916142970000000 ] mass: 40.078000 reduced_to: 99 - symbol: Ca # 100 coordinates: [ 0.690794495000000, 0.165723070000000, 0.916142970000000 ] mass: 40.078000 reduced_to: 99 - symbol: Ca # 101 coordinates: [ 0.190794495000000, 0.334276930000000, 0.416142970000000 ] mass: 40.078000 reduced_to: 101 - symbol: Ca # 102 coordinates: [ 0.690794495000000, 0.334276930000000, 0.416142970000000 ] mass: 40.078000 reduced_to: 101 - symbol: Ca # 103 coordinates: [ 0.309205505000000, 0.834276930000000, 0.083857030000000 ] mass: 40.078000 reduced_to: 103 - symbol: Ca # 104 coordinates: [ 0.809205505000000, 0.834276930000000, 0.083857030000000 ] mass: 40.078000 reduced_to: 103 - symbol: Ca # 105 coordinates: [ 0.063584685000000, 0.696376730000000, 0.597014910000000 ] mass: 40.078000 reduced_to: 105 - symbol: Ca # 106 coordinates: [ 0.563584685000000, 0.696376730000000, 0.597014910000000 ] mass: 40.078000 reduced_to: 105 - symbol: Ca # 107 coordinates: [ 0.436415315000000, 0.196376730000000, 0.902985090000000 ] mass: 40.078000 reduced_to: 107 - symbol: Ca # 108 coordinates: [ 0.936415315000000, 0.196376730000000, 0.902985090000000 ] mass: 40.078000 reduced_to: 107 - symbol: Ca # 109 coordinates: [ 0.436415315000000, 0.303623270000000, 0.402985090000000 ] mass: 40.078000 reduced_to: 109 - symbol: Ca # 110 coordinates: [ 0.936415315000000, 0.303623270000000, 0.402985090000000 ] mass: 40.078000 reduced_to: 109 - symbol: Ca # 111 coordinates: [ 0.063584685000000, 0.803623270000000, 0.097014910000000 ] mass: 40.078000 reduced_to: 111 - symbol: Ca # 112 coordinates: [ 0.563584685000000, 0.803623270000000, 0.097014910000000 ] mass: 40.078000 reduced_to: 111 - symbol: Sn # 113 coordinates: [ 0.309907145000000, 0.440392320000000, 0.117583920000000 ] mass: 118.710000 reduced_to: 113 - symbol: Sn # 114 coordinates: [ 0.809907145000000, 0.440392320000000, 0.117583920000000 ] mass: 118.710000 reduced_to: 113 - symbol: Sn # 115 coordinates: [ 0.190092855000000, 0.940392320000000, 0.382416080000000 ] mass: 118.710000 reduced_to: 115 - symbol: Sn # 116 coordinates: [ 0.690092855000000, 0.940392320000000, 0.382416080000000 ] mass: 118.710000 reduced_to: 115 - symbol: Sn # 117 coordinates: [ 0.190092855000000, 0.559607680000000, 0.882416080000000 ] mass: 118.710000 reduced_to: 117 - symbol: Sn # 118 coordinates: [ 0.690092855000000, 0.559607680000000, 0.882416080000000 ] mass: 118.710000 reduced_to: 117 - symbol: Sn # 119 coordinates: [ 0.309907145000000, 0.059607680000000, 0.617583920000000 ] mass: 118.710000 reduced_to: 119 - symbol: Sn # 120 coordinates: [ 0.809907145000000, 0.059607680000000, 0.617583920000000 ] mass: 118.710000 reduced_to: 119displacements:- atom: 1 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ -0.1335216500000000, 0.0298548500000000, 0.0492264100000000 ] - [ 0.0030441200000000, -0.0003046600000000, -0.0006713000000000 ] - [ 0.0004911000000000, -0.0003014200000000, 0.0004601800000000 ] - [ -0.0008963100000000, -0.0003782700000000, 0.0006763800000000 ] - [ 0.0032220100000000, -0.0013914800000000, 0.0003097500000000 ] - [ 0.0043241200000000, 0.0071176700000000, -0.0020778100000000 ] - [ -0.0014560400000000, 0.0003163300000000, -0.0007238500000000 ] - [ 0.0014093700000000, 0.0002932000000000, -0.0005726800000000 ] - [ 0.0002847800000000, 0.0008068500000000, -0.0002026700000000 ] - [ 0.0009711500000000, -0.0000596300000000, 0.0006123400000000 ] - [ 0.0038553500000000, -0.0114729800000000, 0.0024732900000000 ] - [ 0.0021168700000000, 0.0008777600000000, -0.0000714600000000 ] - [ -0.0012049400000000, -0.0004226100000000, -0.0006755700000000 ] - [ 0.0004978200000000, -0.0002602900000000, -0.0001995800000000 ] - [ 0.0132890000000000, -0.0017138000000000, 0.0034290200000000 ] - [ 0.0049149200000000, -0.0004267800000000, -0.0009590600000000 ] - [ 0.0016996700000000, 0.0010541100000000, 0.0000763900000000 ] - [ 0.0036222700000000, -0.0082509400000000, 0.0023862000000000 ] - [ -0.0014623500000000, -0.0005520800000000, -0.0010913200000000 ] - [ 0.0011966500000000, 0.0002992200000000, -0.0005157700000000 ] - [ -0.0022907400000000, -0.0000040900000000, -0.0000858800000000 ] - [ 0.0014952900000000, -0.0004129900000000, -0.0004740900000000 ] - [ 0.0008707200000000, -0.0000310300000000, 0.0008036100000000 ] - [ -0.0009803600000000, -0.0003675700000000, -0.0004255900000000 ] - [ 0.0006066200000000, -0.0004809600000000, 0.0004798900000000 ] - [ 0.0000229300000000, -0.0020732600000000, 0.0023712000000000 ] - [ -0.0081712000000000, -0.0039140700000000, -0.0044398200000000 ] - [ 0.0017099900000000, -0.0001114800000000, -0.0003081400000000 ] - [ 0.0010396600000000, -0.0012417000000000, 0.0010950500000000 ] - [ 0.0010311400000000, -0.0005316500000000, 0.0004014700000000 ] - [ -0.0015748300000000, -0.0000368500000000, -0.0018493800000000 ] - [ 0.0010663800000000, 0.0001404800000000, -0.0004039300000000 ] - [ 0.0014709800000000, 0.0009430000000000, 0.0002338600000000 ] - [ 0.0003029200000000, -0.0004521600000000, -0.0030406700000000 ] - [ -0.0012287300000000, 0.0011214800000000, -0.0004142100000000 ] - [ 0.0010178100000000, 0.0006352300000000, 0.0008581000000000 ] - [ -0.0023796200000000, -0.0007121000000000, 0.0004458000000000 ] - [ 0.0011779000000000, -0.0006597700000000, 0.0007799700000000 ] - [ 0.0013476600000000, -0.0000317400000000, -0.0012110200000000 ] - [ -0.0004831200000000, -0.0032983500000000, 0.0031895900000000 ] - [ 0.0008919600000000, -0.0014190200000000, -0.0007825800000000 ] - [ 0.0009587200000000, 0.0000648400000000, 0.0003046100000000 ] - [ -0.0007330800000000, 0.0057799600000000, -0.0054229300000000 ] - [ 0.0007523400000000, -0.0013224200000000, 0.0003125800000000 ] - [ -0.0023371700000000, 0.0018181100000000, 0.0014423100000000 ] - [ 0.0005021400000000, 0.0006602300000000, -0.0002982300000000 ] - [ 0.0009954900000000, -0.0004501600000000, 0.0012270400000000 ] - [ 0.0011981100000000, 0.0014661100000000, -0.0010270400000000 ] - [ -0.0050134800000000, -0.0000728900000000, -0.0035320200000000 ] - [ 0.0024989400000000, -0.0002073700000000, 0.0005492200000000 ] - [ 0.0013189600000000, -0.0003314600000000, -0.0002615100000000 ] - [ -0.0011874700000000, -0.0001682600000000, -0.0005874900000000 ] - [ 0.0018100200000000, -0.0002215800000000, -0.0009610600000000 ] - [ -0.0028464600000000, 0.0018603800000000, 0.0016435600000000 ] - [ -0.0053539900000000, -0.0001270000000000, 0.0010148300000000 ] - [ 0.0023988800000000, 0.0002471600000000, 0.0003928700000000 ] - [ -0.0001205800000000, -0.0006914200000000, 0.0005795800000000 ] - [ 0.0007917800000000, -0.0005810000000000, -0.0006761500000000 ] - [ -0.0024697300000000, -0.0006233600000000, 0.0041623900000000 ] - [ 0.0012597700000000, -0.0008941600000000, -0.0006455500000000 ] - [ -0.0010622400000000, 0.0020101500000000, -0.0006808400000000 ] - [ 0.0007228800000000, 0.0007272200000000, 0.0000739700000000 ] - [ 0.0016690400000000, -0.0004430700000000, -0.0024789100000000 ] - [ 0.0031498800000000, 0.0023758600000000, 0.0022880400000000 ] - [ 0.0005703500000000, 0.0002915200000000, 0.0000183800000000 ] - [ 0.0005173300000000, 0.0011369500000000, 0.0014454100000000 ] - [ -0.0025170200000000, 0.0047556100000000, -0.0004364700000000 ] - [ 0.0010607200000000, 0.0005104500000000, -0.0004954900000000 ] - [ -0.0021556300000000, -0.0004212900000000, -0.0009634900000000 ] - [ 0.0006954300000000, -0.0008056000000000, -0.0005770600000000 ] - [ 0.0014926200000000, 0.0007238700000000, 0.0021953200000000 ] - [ -0.0000758100000000, 0.0005105600000000, -0.0010478800000000 ] - [ -0.0016876500000000, -0.0008257200000000, 0.0002005400000000 ] - [ 0.0040161000000000, 0.0049217800000000, -0.0063655800000000 ] - [ 0.0046928400000000, 0.0023739000000000, -0.0003030000000000 ] - [ -0.0028880000000000, -0.0004147100000000, 0.0007310200000000 ] - [ 0.0011868500000000, -0.0000227200000000, 0.0002772300000000 ] - [ -0.0023570100000000, 0.0003117000000000, 0.0005044200000000 ] - [ -0.0019363900000000, -0.0005320900000000, -0.0015334300000000 ] - [ 0.0014372100000000, 0.0001127800000000, 0.0028599700000000 ] - [ 0.0055527000000000, -0.0061180800000000, 0.0002585100000000 ] - [ -0.0031048000000000, 0.0004976900000000, -0.0004125300000000 ] - [ -0.0007511800000000, 0.0014352900000000, 0.0014166900000000 ] - [ 0.0010693500000000, -0.0021513100000000, -0.0016414600000000 ] - [ -0.0001738500000000, 0.0012098700000000, -0.0009848300000000 ] - [ 0.0009440300000000, -0.0008608900000000, 0.0010446800000000 ] - [ 0.0051596800000000, -0.0014977700000000, -0.0021216400000000 ] - [ -0.0030616300000000, 0.0003544700000000, 0.0000185200000000 ] - [ 0.0022953400000000, 0.0002528500000000, 0.0000709500000000 ] - [ -0.0008736700000000, 0.0002874900000000, -0.0000324100000000 ] - [ -0.0047312700000000, 0.0001055200000000, 0.0019474800000000 ] - [ 0.0090459800000000, 0.0001881100000000, 0.0000068200000000 ] - [ -0.0013819100000000, -0.0003606100000000, -0.0002580100000000 ] - [ 0.0002730600000000, 0.0005119600000000, 0.0007638700000000 ] - [ 0.0117164000000000, -0.0019389000000000, 0.0010419100000000 ] - [ -0.0023024700000000, -0.0003750200000000, -0.0001265600000000 ] - [ -0.0004953900000000, 0.0004880500000000, 0.0018920900000000 ] - [ -0.0007500900000000, 0.0006503900000000, -0.0010900600000000 ] - [ 0.0016365400000000, 0.0023207900000000, 0.0008786000000000 ] - [ -0.0022297400000000, 0.0001327000000000, -0.0004727100000000 ] - [ 0.0011605000000000, 0.0002092500000000, -0.0004832500000000 ] - [ -0.0019921100000000, -0.0006508200000000, -0.0001645500000000 ] - [ -0.0006949800000000, -0.0041907300000000, -0.0017296300000000 ] - [ -0.0021730900000000, 0.0008586400000000, 0.0015286900000000 ] - [ 0.0041311700000000, -0.0001835100000000, -0.0000156900000000 ] - [ -0.0017497300000000, 0.0003156800000000, -0.0003931000000000 ] - [ -0.0015743700000000, 0.0009565900000000, 0.0009761100000000 ] - [ 0.0014802700000000, -0.0010226700000000, -0.0006990900000000 ] - [ -0.0012048800000000, 0.0001271600000000, -0.0000642000000000 ] - [ 0.0010934900000000, -0.0007786400000000, 0.0011066900000000 ] - [ 0.0112609100000000, 0.0001814300000000, -0.0002836700000000 ] - [ -0.0021380300000000, -0.0002487600000000, -0.0003377900000000 ] - [ -0.0047216400000000, 0.0047043600000000, -0.0083510700000000 ] - [ -0.0052536000000000, -0.0009498600000000, 0.0025492600000000 ] - [ 0.0029052300000000, -0.0007857700000000, 0.0010815800000000 ] - [ -0.0017914200000000, 0.0000610400000000, 0.0007902500000000 ] - [ 0.0864226900000000, -0.0196497300000000, -0.0392022500000000 ] - [ -0.0051491900000000, 0.0002766800000000, -0.0001015400000000 ] - [ -0.0007109500000000, -0.0001776500000000, 0.0003682500000000 ] - [ -0.0014332200000000, 0.0001654300000000, -0.0018162000000000 ]- atom: 1 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ 0.1310216300000000, -0.0288217000000000, -0.0467854600000000 ] - [ -0.0026426700000000, -0.0001842000000000, -0.0003363700000000 ] - [ -0.0009033700000000, -0.0001877300000000, 0.0005482900000000 ] - [ 0.0004996700000000, -0.0001101300000000, 0.0003282800000000 ] - [ -0.0036288100000000, 0.0018676700000000, 0.0006975000000000 ] - [ -0.0047306700000000, -0.0067001600000000, 0.0031122900000000 ] - [ 0.0018658300000000, 0.0001729100000000, -0.0002887200000000 ] - [ -0.0010041100000000, 0.0001982900000000, -0.0004366700000000 ] - [ 0.0003447600000000, -0.0001995300000000, 0.0007859300000000 ] - [ -0.0003335000000000, 0.0006695300000000, -0.0000298500000000 ] - [ -0.0044969700000000, 0.0119441200000000, -0.0030299600000000 ] - [ -0.0027575000000000, -0.0002758100000000, -0.0005116100000000 ] - [ 0.0005650200000000, -0.0001862200000000, 0.0000876700000000 ] - [ -0.0011314900000000, -0.0003518500000000, -0.0003866700000000 ] - [ -0.0124399900000000, 0.0011005800000000, -0.0027726600000000 ] - [ -0.0043091000000000, -0.0001796800000000, 0.0015662600000000 ] - [ -0.0019333300000000, -0.0005292700000000, 0.0009355600000000 ] - [ -0.0038505800000000, 0.0088500200000000, -0.0013651700000000 ] - [ 0.0017106000000000, 0.0010842500000000, 0.0000855800000000 ] - [ -0.0009670900000000, 0.0002178400000000, -0.0004992000000000 ] - [ 0.0025309900000000, -0.0005062500000000, -0.0009221000000000 ] - [ -0.0012651400000000, -0.0001065100000000, -0.0005392300000000 ] - [ -0.0011086100000000, -0.0004860800000000, 0.0002144800000000 ] - [ 0.0007638100000000, -0.0001532500000000, 0.0014312700000000 ] - [ -0.0006578000000000, -0.0004894600000000, 0.0009353400000000 ] - [ -0.0000645500000000, 0.0011062200000000, -0.0009575400000000 ] - [ 0.0081773300000000, 0.0029982800000000, 0.0030832300000000 ] - [ -0.0016712100000000, -0.0008629500000000, -0.0011138900000000 ] - [ -0.0002768500000000, -0.0001682800000000, 0.0002486900000000 ] - [ -0.0002593900000000, -0.0008786500000000, 0.0009458200000000 ] - [ 0.0016128700000000, 0.0009950300000000, 0.0004180600000000 ] - [ -0.0010207300000000, 0.0008313500000000, -0.0010128300000000 ] - [ -0.0013051900000000, 0.0001613800000000, -0.0015884200000000 ] - [ -0.0001138000000000, 0.0015659800000000, 0.0016908400000000 ] - [ 0.0010622100000000, 0.0000030500000000, 0.0017501800000000 ] - [ -0.0011882200000000, 0.0004629500000000, 0.0005032600000000 ] - [ 0.0022222600000000, -0.0003752800000000, 0.0009122300000000 ] - [ -0.0013487300000000, -0.0004410700000000, 0.0005785600000000 ] - [ -0.0011851700000000, -0.0010674500000000, -0.0001546300000000 ] - [ 0.0006694400000000, 0.0022288900000000, -0.0045743500000000 ] - [ 0.0002832300000000, 0.0000075400000000, 0.0006756500000000 ] - [ 0.0002234400000000, -0.0014876800000000, -0.0004121300000000 ] - [ -0.0004630700000000, -0.0071357000000000, 0.0054732000000000 ] - [ -0.0019367000000000, -0.0000831600000000, -0.0002099300000000 ] - [ 0.0011411100000000, -0.0004086900000000, -0.0013423400000000 ] - [ -0.0016811900000000, 0.0007565500000000, 0.0004061100000000 ] - [ 0.0001778300000000, 0.0018636100000000, -0.0013278000000000 ] - [ -0.0000150300000000, -0.0000580800000000, 0.0009287700000000 ] - [ 0.0053799900000000, -0.0002820900000000, 0.0043841500000000 ] - [ -0.0021828600000000, -0.0001438400000000, 0.0003645800000000 ] - [ -0.0016458600000000, -0.0000210600000000, -0.0006507900000000 ] - [ 0.0008879300000000, -0.0001832600000000, -0.0003234700000000 ] - [ -0.0021415600000000, 0.0005734100000000, 0.0000471600000000 ] - [ 0.0025604200000000, -0.0015254000000000, -0.0025713100000000 ] - [ 0.0056894800000000, 0.0004718600000000, -0.0000933500000000 ] - [ -0.0020853500000000, 0.0001061500000000, 0.0005181900000000 ] - [ 0.0006172200000000, -0.0005813900000000, -0.0007688100000000 ] - [ -0.0002806500000000, -0.0006874300000000, 0.0004826400000000 ] - [ 0.0019388800000000, -0.0006462800000000, -0.0039578900000000 ] - [ -0.0017674900000000, -0.0003757300000000, 0.0008451300000000 ] - [ 0.0005536700000000, -0.0007394600000000, 0.0008792500000000 ] - [ -0.0012298900000000, 0.0005442900000000, 0.0001184000000000 ] - [ -0.0012035500000000, 0.0017243000000000, 0.0023075600000000 ] - [ -0.0026763100000000, -0.0011281900000000, -0.0025124700000000 ] - [ 0.0001910800000000, 0.0011171400000000, 0.0013246500000000 ] - [ 0.0002580400000000, 0.0002664900000000, -0.0001126400000000 ] - [ 0.0017167400000000, -0.0033469100000000, -0.0008971300000000 ] - [ -0.0018301600000000, 0.0009005900000000, -0.0008433000000000 ] - [ 0.0013797800000000, -0.0009883100000000, -0.0003807900000000 ] - [ -0.0014650300000000, -0.0006010600000000, -0.0007674200000000 ] - [ -0.0015403200000000, 0.0002442900000000, -0.0007693700000000 ] - [ 0.0000451300000000, 0.0004668400000000, 0.0024808800000000 ] - [ 0.0027890300000000, 0.0006197900000000, -0.0014880500000000 ] - [ -0.0029585800000000, -0.0051393500000000, 0.0050694200000000 ] - [ -0.0058585700000000, -0.0026294600000000, 0.0015938600000000 ] - [ 0.0018027700000000, 0.0002180200000000, 0.0005641600000000 ] - [ -0.0023037400000000, 0.0002197000000000, 0.0010065500000000 ] - [ 0.0012675500000000, -0.0001073000000000, 0.0007856200000000 ] - [ 0.0030338000000000, 0.0007321000000000, 0.0002325800000000 ] - [ -0.0003941100000000, 0.0000867300000000, -0.0041682100000000 ] - [ -0.0071784100000000, 0.0061249700000000, -0.0004439700000000 ] - [ 0.0014622500000000, -0.0005141300000000, 0.0002641900000000 ] - [ 0.0024100200000000, -0.0014489500000000, -0.0012670200000000 ] - [ 0.0005631400000000, 0.0021710300000000, 0.0018091800000000 ] - [ 0.0018294600000000, -0.0011987400000000, 0.0011295600000000 ] - [ 0.0006893900000000, 0.0008741600000000, -0.0009049500000000 ] - [ -0.0067718000000000, 0.0015028100000000, 0.0019985600000000 ] - [ 0.0014162400000000, -0.0003500000000000, -0.0001674000000000 ] - [ -0.0013982400000000, 0.0000878900000000, -0.0001607800000000 ] - [ 0.0017804200000000, 0.0000559700000000, -0.0000562600000000 ] - [ 0.0038242200000000, 0.0002420000000000, -0.0018416000000000 ] - [ -0.0109420600000000, 0.0000135400000000, -0.0003736500000000 ] - [ 0.0004867200000000, 0.0000143500000000, 0.0003473500000000 ] - [ -0.0011871500000000, -0.0008544200000000, -0.0006689900000000 ] - [ -0.0108214500000000, 0.0016389400000000, -0.0011695500000000 ] - [ 0.0032080500000000, 0.0000345800000000, 0.0000323500000000 ] - [ 0.0015493500000000, 0.0003675300000000, -0.0014135200000000 ] - [ 0.0017909500000000, 0.0001969100000000, 0.0015823800000000 ] - [ -0.0026721900000000, -0.0014651600000000, -0.0013547100000000 ] - [ 0.0011879800000000, 0.0007240700000000, -0.0000036200000000 ] - [ -0.0021913500000000, -0.0010643700000000, 0.0000081000000000 ] - [ 0.0009496300000000, -0.0002000600000000, -0.0003121900000000 ] - [ 0.0017540500000000, 0.0033105500000000, 0.0022005300000000 ] - [ 0.0032141900000000, -0.0017245500000000, -0.0010614900000000 ] - [ -0.0041641400000000, 0.0006834100000000, -0.0007186200000000 ] - [ 0.0017353200000000, 0.0001670900000000, -0.0003310700000000 ] - [ 0.0015988900000000, -0.0004703600000000, -0.0002474600000000 ] - [ -0.0014790600000000, 0.0015134400000000, 0.0014267900000000 ] - [ 0.0012304800000000, -0.0006086800000000, 0.0007891300000000 ] - [ -0.0010936200000000, 0.0002958900000000, -0.0003773500000000 ] - [ -0.0112741200000000, -0.0007160200000000, -0.0004735600000000 ] - [ 0.0021202900000000, -0.0002396900000000, -0.0003920000000000 ] - [ 0.0041647800000000, -0.0047421800000000, 0.0068386600000000 ] - [ 0.0046820300000000, 0.0008850000000000, -0.0040672000000000 ] - [ -0.0023110800000000, 0.0007055400000000, 0.0004177500000000 ] - [ 0.0023701900000000, -0.0001464300000000, 0.0006961600000000 ] - [ -0.0820117100000000, 0.0183317700000000, 0.0377463400000000 ] - [ 0.0057600100000000, -0.0001937000000000, 0.0015919700000000 ] - [ 0.0001428400000000, 0.0002604000000000, -0.0018521100000000 ] - [ 0.0008465500000000, -0.0000807900000000, 0.0003347400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0296048700000000, -0.0849859800000000, -0.0216512100000000 ] - [ 0.0001420900000000, -0.0006555700000000, -0.0004834900000000 ] - [ -0.0001471700000000, 0.0001591900000000, 0.0004418600000000 ] - [ -0.0000712600000000, 0.0007105200000000, 0.0001681300000000 ] - [ -0.0018344000000000, -0.0002109700000000, 0.0006296600000000 ] - [ 0.0066847700000000, 0.0017806300000000, -0.0002693300000000 ] - [ 0.0001336200000000, 0.0003776200000000, -0.0003151100000000 ] - [ 0.0001567100000000, 0.0002915600000000, -0.0005031800000000 ] - [ 0.0007545000000000, 0.0005954900000000, 0.0001969100000000 ] - [ -0.0000255800000000, 0.0004580900000000, 0.0001717700000000 ] - [ -0.0134769500000000, 0.0085875400000000, -0.0021872300000000 ] - [ 0.0004564900000000, 0.0000850600000000, 0.0000040000000000 ] - [ -0.0003050900000000, 0.0007752200000000, -0.0004485300000000 ] - [ -0.0003769700000000, 0.0000005500000000, -0.0003144400000000 ] - [ 0.0013713200000000, -0.0048988700000000, 0.0007148900000000 ] - [ 0.0004624100000000, -0.0019429500000000, 0.0001609500000000 ] - [ 0.0002557500000000, 0.0001026700000000, 0.0004408300000000 ] - [ -0.0089412700000000, 0.0052238200000000, -0.0025984900000000 ] - [ 0.0005753800000000, 0.0015666200000000, 0.0005718800000000 ] - [ 0.0000209200000000, 0.0003214600000000, -0.0004986400000000 ] - [ 0.0003827400000000, 0.0037273700000000, -0.0005065500000000 ] - [ 0.0000141200000000, 0.0000036500000000, -0.0005637000000000 ] - [ -0.0000120500000000, -0.0005405100000000, 0.0003792500000000 ] - [ -0.0001327500000000, -0.0011263900000000, 0.0009226600000000 ] - [ 0.0003411700000000, -0.0001848300000000, 0.0007561200000000 ] - [ -0.0011518500000000, 0.0017283100000000, -0.0009403600000000 ] - [ -0.0001279300000000, 0.0001267100000000, 0.0095366400000000 ] - [ 0.0000197900000000, -0.0006501400000000, -0.0006240900000000 ] - [ 0.0004323100000000, 0.0010659100000000, 0.0006570500000000 ] - [ 0.0003941400000000, 0.0004834500000000, 0.0007496300000000 ] - [ 0.0007333900000000, 0.0058611700000000, 0.0017209600000000 ] - [ -0.0001238600000000, 0.0007290300000000, -0.0007953900000000 ] - [ 0.0004975000000000, 0.0001491400000000, -0.0004193200000000 ] - [ -0.0024345400000000, -0.0011176800000000, 0.0021677400000000 ] - [ -0.0001647500000000, 0.0059583100000000, -0.0029076900000000 ] - [ -0.0001202100000000, 0.0007117700000000, 0.0006354800000000 ] - [ 0.0001577600000000, 0.0016704700000000, 0.0014373700000000 ] - [ -0.0001752400000000, -0.0003441400000000, 0.0007595700000000 ] - [ 0.0003415400000000, -0.0008806300000000, -0.0006562500000000 ] - [ -0.0010844200000000, -0.0022905600000000, -0.0024959500000000 ] - [ 0.0003867600000000, 0.0002754500000000, 0.0005066500000000 ] - [ 0.0009071000000000, 0.0000957800000000, 0.0001493200000000 ] - [ 0.0026303600000000, -0.0020080100000000, -0.0042154800000000 ] - [ -0.0007823600000000, -0.0010619500000000, 0.0001101400000000 ] - [ 0.0007920000000000, -0.0004234900000000, 0.0026695600000000 ] - [ -0.0009651500000000, 0.0004531300000000, 0.0002092300000000 ] - [ -0.0002486700000000, 0.0022150300000000, -0.0010275600000000 ] - [ 0.0008773800000000, 0.0015712700000000, -0.0004890600000000 ] - [ 0.0005601000000000, -0.0040853700000000, 0.0011728800000000 ] - [ 0.0000780500000000, -0.0004912900000000, 0.0003670600000000 ] - [ -0.0002646100000000, 0.0002579700000000, -0.0005219200000000 ] - [ 0.0001384100000000, 0.0012129200000000, -0.0005603900000000 ] - [ -0.0005343800000000, 0.0002676300000000, -0.0003751900000000 ] - [ 0.0016162700000000, 0.0005684300000000, 0.0001287900000000 ] - [ -0.0004555300000000, 0.0021391600000000, -0.0023629000000000 ] - [ 0.0001615200000000, 0.0001727100000000, 0.0003620500000000 ] - [ 0.0009869300000000, 0.0004333400000000, -0.0002334700000000 ] - [ 0.0001229500000000, 0.0000464900000000, -0.0000914700000000 ] - [ -0.0010372700000000, -0.0031657000000000, -0.0025383000000000 ] - [ -0.0001703900000000, -0.0009372900000000, -0.0000648000000000 ] - [ 0.0008209600000000, 0.0030675100000000, -0.0018712700000000 ] - [ -0.0005374400000000, 0.0008223900000000, 0.0000812600000000 ] - [ -0.0008093200000000, -0.0001917900000000, 0.0007621300000000 ] - [ 0.0006555600000000, 0.0001888400000000, 0.0000239600000000 ] - [ 0.0000949700000000, 0.0007184800000000, 0.0007099100000000 ] - [ 0.0008079700000000, 0.0006315100000000, 0.0008407100000000 ] - [ 0.0054089000000000, 0.0085433300000000, -0.0033547400000000 ] - [ -0.0008125000000000, 0.0007547600000000, -0.0007883300000000 ] - [ -0.0002820300000000, -0.0020473600000000, -0.0006028500000000 ] - [ -0.0004871900000000, -0.0009404600000000, -0.0007626000000000 ] - [ -0.0004403700000000, -0.0000588100000000, 0.0004531100000000 ] - [ 0.0000095700000000, -0.0015107900000000, -0.0002758400000000 ] - [ 0.0001857300000000, -0.0000358000000000, -0.0005514400000000 ] - [ 0.0037286000000000, -0.0027494000000000, 0.0061703100000000 ] - [ -0.0029945100000000, -0.0049487100000000, -0.0015929400000000 ] - [ -0.0002583400000000, -0.0001604300000000, 0.0005320600000000 ] - [ -0.0001666300000000, -0.0066544200000000, 0.0010991600000000 ] - [ -0.0004031400000000, -0.0002795000000000, 0.0007621600000000 ] - [ 0.0006772100000000, 0.0010295900000000, -0.0005298900000000 ] - [ 0.0006244700000000, 0.0041334000000000, -0.0020689200000000 ] - [ -0.0041472200000000, -0.0049151700000000, 0.0080223500000000 ] - [ -0.0005216100000000, 0.0001321200000000, 0.0001268300000000 ] - [ 0.0015405300000000, -0.0005808100000000, -0.0003881700000000 ] - [ -0.0008165900000000, -0.0002159500000000, -0.0004114300000000 ] - [ 0.0009765000000000, -0.0023761100000000, 0.0001277900000000 ] - [ 0.0007156700000000, -0.0014542300000000, 0.0000052000000000 ] - [ -0.0019019400000000, 0.0049548600000000, -0.0006261800000000 ] - [ -0.0007253200000000, 0.0006286500000000, 0.0000643500000000 ] - [ 0.0005675700000000, -0.0021061800000000, 0.0003886300000000 ] - [ 0.0004886900000000, -0.0000952700000000, -0.0000181300000000 ] - [ -0.0002274100000000, 0.0010341300000000, -0.0001569000000000 ] - [ 0.0004159600000000, 0.0097597700000000, 0.0001226200000000 ] - [ -0.0007649400000000, -0.0003371700000000, 0.0000665500000000 ] - [ 0.0001265900000000, -0.0011103700000000, -0.0007170300000000 ] - [ 0.0008747800000000, 0.0150504600000000, -0.0036967900000000 ] - [ 0.0006997000000000, -0.0000387000000000, 0.0002031200000000 ] - [ -0.0001061500000000, 0.0015938500000000, 0.0006879600000000 ] - [ 0.0011282200000000, 0.0011229200000000, 0.0004278200000000 ] - [ -0.0003002400000000, -0.0052353900000000, -0.0013982700000000 ] - [ -0.0004897800000000, -0.0001496000000000, -0.0003630900000000 ] - [ 0.0002862600000000, -0.0006550100000000, 0.0005740300000000 ] - [ -0.0006696900000000, -0.0004658200000000, -0.0001403100000000 ] - [ -0.0030772200000000, -0.0001294000000000, -0.0009532800000000 ] - [ 0.0031993700000000, -0.0004729400000000, -0.0005615000000000 ] - [ -0.0001404000000000, 0.0028880900000000, 0.0006261400000000 ] - [ -0.0000107400000000, 0.0004429100000000, -0.0003491800000000 ] - [ 0.0003709400000000, -0.0005448200000000, 0.0000397100000000 ] - [ -0.0009087700000000, -0.0027642000000000, -0.0003910100000000 ] - [ 0.0003751700000000, -0.0004196300000000, 0.0006134200000000 ] - [ -0.0010206700000000, -0.0004959900000000, 0.0007777700000000 ] - [ -0.0016452300000000, 0.0179908800000000, 0.0042465600000000 ] - [ 0.0000161300000000, -0.0000938200000000, -0.0003921400000000 ] - [ 0.0053378300000000, 0.0037033300000000, 0.0029989800000000 ] - [ -0.0028281800000000, 0.0016306500000000, 0.0009542000000000 ] - [ -0.0008887300000000, -0.0013511800000000, -0.0008186300000000 ] - [ 0.0006998100000000, -0.0003598500000000, 0.0007984900000000 ] - [ -0.0197689300000000, 0.0259592400000000, 0.0131300500000000 ] - [ 0.0001483500000000, 0.0009005700000000, 0.0004795700000000 ] - [ -0.0013192800000000, -0.0015802900000000, -0.0002805100000000 ] - [ 0.0004620300000000, -0.0011151300000000, -0.0000951100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0290646900000000, 0.0840075200000000, 0.0192140100000000 ] - [ 0.0002527300000000, 0.0001650600000000, -0.0005214200000000 ] - [ -0.0002513800000000, -0.0006484200000000, 0.0005625000000000 ] - [ -0.0003296000000000, -0.0011987200000000, 0.0008399300000000 ] - [ 0.0014354600000000, 0.0007151200000000, 0.0003724200000000 ] - [ -0.0071228000000000, -0.0012719900000000, 0.0012624700000000 ] - [ 0.0002670100000000, 0.0001053700000000, -0.0006775200000000 ] - [ 0.0002408900000000, 0.0001976800000000, -0.0004995300000000 ] - [ -0.0001137400000000, 0.0000030500000000, 0.0003942100000000 ] - [ 0.0006616000000000, 0.0001432000000000, 0.0004163600000000 ] - [ 0.0129804300000000, -0.0080350600000000, 0.0016058300000000 ] - [ -0.0010991500000000, 0.0005230500000000, -0.0005946100000000 ] - [ -0.0003272500000000, -0.0013775600000000, -0.0001308600000000 ] - [ -0.0002629200000000, -0.0006044600000000, -0.0002713600000000 ] - [ -0.0007998400000000, 0.0043091000000000, -0.0001492700000000 ] - [ 0.0001849300000000, 0.0013371900000000, 0.0004119200000000 ] - [ -0.0004945700000000, 0.0004001000000000, 0.0005737000000000 ] - [ 0.0086248700000000, -0.0046967400000000, 0.0035821700000000 ] - [ -0.0003328100000000, -0.0010383300000000, -0.0015651100000000 ] - [ 0.0002138200000000, 0.0001887600000000, -0.0005142500000000 ] - [ -0.0001485300000000, -0.0042413800000000, -0.0005213100000000 ] - [ 0.0002206500000000, -0.0005112400000000, -0.0004514200000000 ] - [ -0.0002257700000000, 0.0000294900000000, 0.0006350200000000 ] - [ -0.0000974100000000, 0.0006126000000000, 0.0001028900000000 ] - [ -0.0003854700000000, -0.0007926400000000, 0.0006625300000000 ] - [ 0.0011035100000000, -0.0027033400000000, 0.0023504500000000 ] - [ 0.0001924200000000, -0.0010021900000000, -0.0109469200000000 ] - [ 0.0000270500000000, -0.0003232200000000, -0.0007919900000000 ] - [ 0.0003380400000000, -0.0024677600000000, 0.0006818100000000 ] - [ 0.0003632400000000, -0.0018855200000000, 0.0005852000000000 ] - [ -0.0006676000000000, -0.0048604500000000, -0.0031085600000000 ] - [ 0.0001693600000000, 0.0002446800000000, -0.0006219000000000 ] - [ -0.0003344100000000, 0.0009500000000000, -0.0009427300000000 ] - [ 0.0025745800000000, 0.0022030700000000, -0.0035070500000000 ] - [ 0.0000056300000000, -0.0048875500000000, 0.0043107100000000 ] - [ -0.0000453600000000, 0.0003930700000000, 0.0007233100000000 ] - [ -0.0003189400000000, -0.0027575500000000, -0.0000916600000000 ] - [ 0.0000092600000000, -0.0007562500000000, 0.0005983700000000 ] - [ -0.0001810100000000, -0.0002268100000000, -0.0007008800000000 ] - [ 0.0012553200000000, 0.0011633200000000, 0.0011392100000000 ] - [ 0.0007912800000000, -0.0016787700000000, -0.0006098600000000 ] - [ 0.0002701500000000, -0.0015012800000000, -0.0002516400000000 ] - [ -0.0038038600000000, 0.0005269700000000, 0.0043238700000000 ] - [ -0.0003946200000000, -0.0003527600000000, -0.0000070900000000 ] - [ -0.0019550600000000, 0.0018166300000000, -0.0025599600000000 ] - [ -0.0002153300000000, 0.0009572900000000, -0.0001053200000000 ] - [ 0.0014283800000000, -0.0007987100000000, 0.0009292300000000 ] - [ 0.0002938400000000, -0.0001566400000000, 0.0003887400000000 ] - [ -0.0002177600000000, 0.0037307300000000, -0.0002948600000000 ] - [ 0.0002356300000000, 0.0001411000000000, 0.0005380500000000 ] - [ -0.0000501700000000, -0.0006067200000000, -0.0003823800000000 ] - [ -0.0004730000000000, -0.0015611700000000, -0.0003433500000000 ] - [ 0.0002111100000000, 0.0000863200000000, -0.0005273600000000 ] - [ -0.0019216700000000, -0.0002032700000000, -0.0010297500000000 ] - [ 0.0007756400000000, -0.0017873700000000, 0.0032442200000000 ] - [ 0.0001527300000000, 0.0001744200000000, 0.0005431300000000 ] - [ -0.0004734900000000, -0.0017055500000000, 0.0000392700000000 ] - [ 0.0003761600000000, -0.0013188300000000, -0.0001008200000000 ] - [ 0.0005408900000000, 0.0019084600000000, 0.0027195100000000 ] - [ -0.0003385100000000, -0.0003328200000000, 0.0002603500000000 ] - [ -0.0013213800000000, -0.0018053900000000, 0.0020547800000000 ] - [ 0.0000289400000000, 0.0004485900000000, 0.0001144600000000 ] - [ 0.0012978800000000, 0.0014736400000000, -0.0009443300000000 ] - [ -0.0001386300000000, 0.0010909400000000, -0.0002104500000000 ] - [ 0.0006674500000000, 0.0006906500000000, 0.0006316900000000 ] - [ -0.0000458200000000, 0.0007755500000000, 0.0005013300000000 ] - [ -0.0060942100000000, -0.0070690600000000, 0.0019897900000000 ] - [ 0.0000458900000000, 0.0006485700000000, -0.0005475300000000 ] - [ -0.0004813700000000, 0.0006394600000000, -0.0007262200000000 ] - [ -0.0002768300000000, -0.0004642300000000, -0.0005746600000000 ] - [ 0.0003888600000000, 0.0010341800000000, 0.0009575700000000 ] - [ -0.0000587500000000, 0.0024867100000000, 0.0016959300000000 ] - [ 0.0009078400000000, -0.0001633100000000, -0.0007399800000000 ] - [ -0.0026303900000000, 0.0025594200000000, -0.0074268400000000 ] - [ 0.0018746200000000, 0.0046782900000000, 0.0028877200000000 ] - [ -0.0008274000000000, -0.0000501500000000, 0.0007575400000000 ] - [ -0.0009052300000000, 0.0068620000000000, 0.0001981200000000 ] - [ -0.0006874200000000, 0.0004845200000000, 0.0005286100000000 ] - [ 0.0004175100000000, -0.0008204900000000, -0.0007571000000000 ] - [ 0.0004473600000000, -0.0039087300000000, 0.0007562200000000 ] - [ 0.0024587700000000, 0.0049463100000000, -0.0080773700000000 ] - [ -0.0011180700000000, -0.0001386900000000, -0.0002665000000000 ] - [ 0.0001093000000000, 0.0005559200000000, 0.0005233400000000 ] - [ 0.0024536600000000, 0.0001962300000000, 0.0005449800000000 ] - [ 0.0006587100000000, 0.0023808800000000, 0.0000106600000000 ] - [ 0.0009425000000000, 0.0014609600000000, 0.0001369600000000 ] - [ 0.0002594000000000, -0.0049271800000000, 0.0004946100000000 ] - [ -0.0009125900000000, -0.0006180200000000, -0.0002060900000000 ] - [ 0.0003333700000000, 0.0024461400000000, -0.0004835100000000 ] - [ 0.0004149300000000, 0.0004397300000000, -0.0000747600000000 ] - [ -0.0006565500000000, -0.0006910700000000, 0.0002419300000000 ] - [ -0.0013480900000000, -0.0094067100000000, -0.0000127500000000 ] - [ -0.0001387000000000, -0.0000046700000000, 0.0000248700000000 ] - [ -0.0010216300000000, 0.0007652600000000, 0.0007937500000000 ] - [ -0.0001021100000000, -0.0162514100000000, 0.0043046100000000 ] - [ 0.0002068000000000, -0.0003085300000000, -0.0002940800000000 ] - [ 0.0011564700000000, -0.0007387400000000, -0.0002237200000000 ] - [ -0.0000875700000000, -0.0002668300000000, 0.0000417900000000 ] - [ -0.0007505600000000, 0.0060790600000000, 0.0009339600000000 ] - [ -0.0005492500000000, 0.0010024600000000, -0.0001110800000000 ] - [ -0.0013390300000000, -0.0002097700000000, -0.0010648000000000 ] - [ -0.0003707800000000, -0.0003894600000000, -0.0003387200000000 ] - [ 0.0041015600000000, -0.0006958000000000, 0.0014338100000000 ] - [ -0.0021413900000000, -0.0003771100000000, 0.0010413400000000 ] - [ 0.0001127700000000, -0.0023866100000000, -0.0013783500000000 ] - [ -0.0000052100000000, 0.0000419300000000, -0.0003801000000000 ] - [ -0.0003551300000000, 0.0010247600000000, 0.0006892300000000 ] - [ 0.0009369900000000, 0.0032459700000000, 0.0011305700000000 ] - [ -0.0003559600000000, -0.0000680200000000, 0.0001128000000000 ] - [ 0.0010456700000000, 0.0000080500000000, -0.0000663700000000 ] - [ 0.0014418300000000, -0.0174272800000000, -0.0042260200000000 ] - [ -0.0000304900000000, -0.0003881000000000, -0.0003336400000000 ] - [ -0.0059177100000000, -0.0038433900000000, -0.0044648100000000 ] - [ 0.0022580800000000, -0.0017226200000000, -0.0024309500000000 ] - [ 0.0014453200000000, 0.0012780500000000, 0.0022780100000000 ] - [ -0.0001141700000000, 0.0002779900000000, 0.0006842200000000 ] - [ 0.0204950100000000, -0.0256670800000000, -0.0117286900000000 ] - [ 0.0004269400000000, -0.0008181100000000, 0.0010104800000000 ] - [ 0.0007346400000000, 0.0016650700000000, -0.0012129600000000 ] - [ -0.0010365700000000, 0.0011969100000000, -0.0013939400000000 ]- atom: 1 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0502086500000000, -0.0209232500000000, -0.0948011100000000 ] - [ -0.0000242300000000, -0.0002217000000000, -0.0006740800000000 ] - [ -0.0002621400000000, -0.0001793900000000, 0.0007637900000000 ] - [ -0.0000189100000000, 0.0000961900000000, 0.0012857600000000 ] - [ -0.0004782600000000, 0.0004071900000000, 0.0001856300000000 ] - [ -0.0028851400000000, -0.0006637300000000, -0.0026944200000000 ] - [ 0.0000222300000000, 0.0000615800000000, 0.0016088600000000 ] - [ 0.0001108800000000, 0.0002419000000000, -0.0003351600000000 ] - [ 0.0005232000000000, 0.0002222500000000, 0.0015524000000000 ] - [ 0.0002326800000000, 0.0003656600000000, 0.0008204200000000 ] - [ 0.0000617000000000, 0.0010089200000000, -0.0064621400000000 ] - [ -0.0007154500000000, 0.0004667900000000, -0.0006907600000000 ] - [ -0.0001000700000000, -0.0002152100000000, 0.0007589400000000 ] - [ -0.0003423200000000, -0.0002201500000000, -0.0000487800000000 ] - [ 0.0004420800000000, -0.0002096000000000, -0.0035509300000000 ] - [ 0.0006414600000000, -0.0003380000000000, -0.0014537700000000 ] - [ -0.0002281200000000, 0.0001696500000000, 0.0001405200000000 ] - [ -0.0004376900000000, -0.0003077600000000, -0.0042235200000000 ] - [ 0.0012342000000000, 0.0032022700000000, 0.0036441400000000 ] - [ -0.0000020900000000, 0.0003111100000000, -0.0002883000000000 ] - [ 0.0002048400000000, -0.0013880600000000, -0.0021584900000000 ] - [ 0.0000100400000000, -0.0002198500000000, -0.0006762900000000 ] - [ -0.0002480900000000, -0.0002450200000000, 0.0009622600000000 ] - [ -0.0010566700000000, 0.0001579800000000, 0.0038529100000000 ] - [ -0.0003215600000000, -0.0005282200000000, 0.0006881300000000 ] - [ 0.0005233400000000, -0.0009689600000000, 0.0003372300000000 ] - [ 0.0004956200000000, 0.0131756600000000, 0.0174191200000000 ] - [ 0.0000008000000000, -0.0004978300000000, -0.0007325500000000 ] - [ 0.0003750200000000, -0.0005808900000000, 0.0001255900000000 ] - [ 0.0001228100000000, -0.0007673900000000, 0.0001762700000000 ] - [ 0.0009803100000000, 0.0022032200000000, 0.0011716100000000 ] - [ -0.0001056600000000, 0.0005317400000000, -0.0007395300000000 ] - [ 0.0002984700000000, 0.0005359700000000, -0.0007578300000000 ] - [ -0.0029881700000000, 0.0016956800000000, 0.0009554800000000 ] - [ -0.0001344700000000, -0.0018926400000000, 0.0038019600000000 ] - [ -0.0001411800000000, 0.0005651000000000, 0.0007166000000000 ] - [ 0.0005286700000000, 0.0022799700000000, -0.0000651900000000 ] - [ -0.0002547900000000, -0.0004378800000000, 0.0006076200000000 ] - [ -0.0005405000000000, -0.0007046400000000, -0.0006366500000000 ] - [ 0.0021933800000000, -0.0023346700000000, 0.0000537900000000 ] - [ 0.0002087100000000, -0.0002686800000000, 0.0001595300000000 ] - [ 0.0011266900000000, -0.0001474800000000, -0.0000663000000000 ] - [ -0.0048945800000000, -0.0074948300000000, 0.0038877200000000 ] - [ -0.0004683300000000, -0.0008078600000000, -0.0000551200000000 ] - [ 0.0016750100000000, 0.0027140600000000, 0.0027508700000000 ] - [ -0.0009402900000000, 0.0007100100000000, 0.0001694300000000 ] - [ 0.0010041700000000, 0.0004638800000000, -0.0004760700000000 ] - [ 0.0001713000000000, 0.0005429300000000, 0.0000622000000000 ] - [ -0.0018312200000000, 0.0003087700000000, 0.0130840600000000 ] - [ 0.0000704600000000, -0.0001290100000000, 0.0005260400000000 ] - [ 0.0001022800000000, -0.0001329700000000, -0.0005157500000000 ] - [ -0.0013449900000000, -0.0001477700000000, -0.0004790900000000 ] - [ -0.0009601600000000, 0.0004447300000000, -0.0003075300000000 ] - [ 0.0032921900000000, 0.0018359800000000, -0.0000404400000000 ] - [ 0.0014246500000000, -0.0019809300000000, 0.0003873200000000 ] - [ -0.0001211400000000, 0.0001006800000000, 0.0003723500000000 ] - [ 0.0010211500000000, -0.0001337600000000, -0.0002327800000000 ] - [ -0.0003109900000000, -0.0006213200000000, 0.0001553700000000 ] - [ 0.0038898400000000, -0.0026687500000000, 0.0022354200000000 ] - [ -0.0007844500000000, -0.0005378700000000, 0.0001393000000000 ] - [ -0.0005963500000000, -0.0010888500000000, 0.0000857500000000 ] - [ -0.0001989900000000, 0.0006590700000000, 0.0000809700000000 ] - [ -0.0018253000000000, 0.0014298600000000, 0.0002738300000000 ] - [ 0.0014411400000000, 0.0007672300000000, 0.0000816200000000 ] - [ 0.0003120400000000, 0.0009226200000000, 0.0016590300000000 ] - [ 0.0006779500000000, 0.0007476400000000, 0.0016803300000000 ] - [ 0.0007249800000000, 0.0000176900000000, -0.0051829300000000 ] - [ -0.0006334300000000, 0.0006924200000000, -0.0010012300000000 ] - [ 0.0004419600000000, -0.0007509900000000, 0.0035348900000000 ] - [ -0.0004254600000000, -0.0007030900000000, -0.0003167100000000 ] - [ 0.0006093300000000, 0.0005840300000000, 0.0007141300000000 ] - [ -0.0023170300000000, -0.0007012100000000, 0.0010444900000000 ] - [ 0.0011341400000000, 0.0001441300000000, -0.0002916900000000 ] - [ -0.0023670300000000, 0.0025304700000000, 0.0019686300000000 ] - [ -0.0067126800000000, -0.0113242800000000, -0.0018514800000000 ] - [ -0.0001157400000000, -0.0002563700000000, 0.0004567000000000 ] - [ 0.0006836500000000, 0.0006591200000000, 0.0016879200000000 ] - [ -0.0005475000000000, -0.0000058900000000, 0.0008047600000000 ] - [ 0.0003182900000000, -0.0001383700000000, -0.0009936700000000 ] - [ 0.0075099200000000, -0.0004314100000000, -0.0053356800000000 ] - [ -0.0009975500000000, 0.0083100700000000, 0.0041190600000000 ] - [ -0.0007309000000000, 0.0001128600000000, 0.0003003700000000 ] - [ 0.0022181800000000, -0.0012822100000000, -0.0011341700000000 ] - [ -0.0014305800000000, -0.0005811100000000, -0.0009383100000000 ] - [ 0.0003175900000000, -0.0002624800000000, 0.0007657600000000 ] - [ 0.0017919700000000, 0.0000660500000000, 0.0003977500000000 ] - [ -0.0072249400000000, -0.0006902800000000, -0.0079818300000000 ] - [ -0.0004237500000000, -0.0000413900000000, -0.0004461700000000 ] - [ 0.0003241000000000, -0.0004541700000000, -0.0014281200000000 ] - [ 0.0005708200000000, 0.0001301400000000, -0.0002084400000000 ] - [ 0.0003391800000000, 0.0001749200000000, 0.0004654600000000 ] - [ 0.0018587300000000, 0.0006054800000000, 0.0105078500000000 ] - [ -0.0006004900000000, -0.0002017000000000, -0.0002722100000000 ] - [ 0.0000625100000000, -0.0010863400000000, -0.0015934600000000 ] - [ -0.0008828100000000, -0.0048552300000000, 0.0103999600000000 ] - [ 0.0006668000000000, -0.0001541400000000, 0.0001809300000000 ] - [ 0.0017043600000000, 0.0002810500000000, -0.0021646000000000 ] - [ 0.0002031600000000, 0.0005083600000000, -0.0010572400000000 ] - [ -0.0006328100000000, -0.0000277700000000, 0.0012445100000000 ] - [ -0.0003362600000000, 0.0004153300000000, 0.0001484900000000 ] - [ -0.0008195300000000, 0.0001183400000000, -0.0029793600000000 ] - [ -0.0003687400000000, -0.0004021000000000, -0.0006648600000000 ] - [ -0.0008745300000000, -0.0006550300000000, 0.0015500400000000 ] - [ 0.0018086100000000, -0.0006593000000000, 0.0012937400000000 ] - [ -0.0012473500000000, 0.0026776900000000, -0.0067239400000000 ] - [ 0.0001820000000000, 0.0002824400000000, -0.0006574000000000 ] - [ 0.0001927900000000, 0.0001474000000000, 0.0006841000000000 ] - [ -0.0003504400000000, 0.0001102800000000, 0.0024049500000000 ] - [ -0.0000164800000000, -0.0002043400000000, -0.0000360500000000 ] - [ 0.0002083400000000, 0.0002025500000000, -0.0019080700000000 ] - [ -0.0021545800000000, 0.0061359500000000, 0.0107415600000000 ] - [ 0.0001478500000000, -0.0002115700000000, -0.0001103200000000 ] - [ -0.0030669100000000, 0.0011373700000000, 0.0025960300000000 ] - [ 0.0022944200000000, 0.0000356100000000, 0.0004382400000000 ] - [ -0.0010628000000000, -0.0015532700000000, -0.0026931000000000 ] - [ 0.0007530300000000, -0.0001167000000000, 0.0001794200000000 ] - [ -0.0404411500000000, 0.0122960600000000, 0.0451170500000000 ] - [ -0.0000623900000000, 0.0000282900000000, 0.0015810600000000 ] - [ 0.0002871900000000, 0.0001476800000000, -0.0021516300000000 ] - [ -0.0005756800000000, -0.0001424300000000, -0.0014627700000000 ]- atom: 1 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0512928600000000, 0.0211555000000000, 0.0941662200000000 ] - [ 0.0004259100000000, -0.0002691700000000, -0.0003338000000000 ] - [ -0.0001426100000000, -0.0003091800000000, 0.0002437400000000 ] - [ -0.0003921100000000, -0.0005876500000000, -0.0002741000000000 ] - [ 0.0000561400000000, 0.0000890300000000, 0.0008231300000000 ] - [ 0.0024962100000000, 0.0011631700000000, 0.0036788100000000 ] - [ 0.0003850800000000, 0.0004340600000000, -0.0026151000000000 ] - [ 0.0002937900000000, 0.0002477200000000, -0.0006721900000000 ] - [ 0.0001178300000000, 0.0003870100000000, -0.0009657400000000 ] - [ 0.0003995100000000, 0.0002418600000000, -0.0002344200000000 ] - [ -0.0007487900000000, -0.0003455400000000, 0.0058733700000000 ] - [ 0.0000808900000000, 0.0001421000000000, 0.0001056900000000 ] - [ -0.0005296300000000, -0.0003940600000000, -0.0013421200000000 ] - [ -0.0002950300000000, -0.0003877800000000, -0.0005364700000000 ] - [ 0.0001490600000000, -0.0003949200000000, 0.0041311400000000 ] - [ -0.0000064200000000, -0.0002683100000000, 0.0020358700000000 ] - [ -0.0000090600000000, 0.0003446300000000, 0.0008781300000000 ] - [ 0.0002396200000000, 0.0007865300000000, 0.0052373100000000 ] - [ -0.0010118100000000, -0.0027061800000000, -0.0046755400000000 ] - [ 0.0002339000000000, 0.0002074300000000, -0.0007243900000000 ] - [ 0.0000327300000000, 0.0008655400000000, 0.0011325200000000 ] - [ 0.0002203500000000, -0.0002965400000000, -0.0003379800000000 ] - [ 0.0000169800000000, -0.0002740400000000, 0.0000486100000000 ] - [ 0.0008088700000000, -0.0006703100000000, -0.0028291900000000 ] - [ 0.0002795500000000, -0.0004455200000000, 0.0007351400000000 ] - [ -0.0005686300000000, -0.0000075300000000, 0.0010881100000000 ] - [ -0.0004289500000000, -0.0143547700000000, -0.0191510100000000 ] - [ 0.0000440800000000, -0.0004750700000000, -0.0006851300000000 ] - [ 0.0003906900000000, -0.0008226800000000, 0.0012135300000000 ] - [ 0.0006447000000000, -0.0006407500000000, 0.0011632800000000 ] - [ -0.0009309000000000, -0.0012224900000000, -0.0025840900000000 ] - [ 0.0001482000000000, 0.0004421600000000, -0.0006814900000000 ] - [ -0.0001335500000000, 0.0005625400000000, -0.0006089300000000 ] - [ 0.0031398200000000, -0.0005820000000000, -0.0023160600000000 ] - [ -0.0000319500000000, 0.0029928300000000, -0.0024382800000000 ] - [ -0.0000281200000000, 0.0005350000000000, 0.0006423000000000 ] - [ -0.0006972000000000, -0.0033934800000000, 0.0014391500000000 ] - [ 0.0000860800000000, -0.0006605900000000, 0.0007543000000000 ] - [ 0.0007107400000000, -0.0003965900000000, -0.0007201100000000 ] - [ -0.0020433000000000, 0.0012387900000000, -0.0014083700000000 ] - [ 0.0009737100000000, -0.0011395500000000, -0.0002590700000000 ] - [ 0.0000501300000000, -0.0012646600000000, -0.0000365900000000 ] - [ 0.0037717700000000, 0.0061444200000000, -0.0038262600000000 ] - [ -0.0007135200000000, -0.0006033800000000, 0.0001624300000000 ] - [ -0.0028397600000000, -0.0012906500000000, -0.0026424700000000 ] - [ -0.0002426200000000, 0.0007006400000000, -0.0000649100000000 ] - [ 0.0001769000000000, 0.0009508700000000, 0.0003612800000000 ] - [ 0.0010070000000000, 0.0008696800000000, -0.0001708600000000 ] - [ 0.0021179200000000, -0.0006637100000000, -0.0120002900000000 ] - [ 0.0002458800000000, -0.0002237700000000, 0.0003826100000000 ] - [ -0.0004234000000000, -0.0002180900000000, -0.0003969300000000 ] - [ 0.0010205400000000, -0.0002038100000000, -0.0004338500000000 ] - [ 0.0006408400000000, -0.0000917900000000, -0.0005995200000000 ] - [ -0.0036301900000000, -0.0014861300000000, -0.0008616800000000 ] - [ -0.0011074500000000, 0.0023440200000000, 0.0005303100000000 ] - [ 0.0004387800000000, 0.0002506700000000, 0.0005403600000000 ] - [ -0.0005075200000000, -0.0011310100000000, 0.0000311700000000 ] - [ 0.0008157400000000, -0.0006462000000000, -0.0003519800000000 ] - [ -0.0043614400000000, 0.0013745600000000, -0.0020423800000000 ] - [ 0.0002724500000000, -0.0007312200000000, 0.0000550200000000 ] - [ 0.0000890600000000, 0.0023650000000000, 0.0001175400000000 ] - [ -0.0003112100000000, 0.0006089300000000, 0.0001162500000000 ] - [ 0.0023273600000000, -0.0001574800000000, -0.0004438700000000 ] - [ -0.0009279600000000, 0.0005106800000000, -0.0002653700000000 ] - [ 0.0004615600000000, 0.0004844100000000, -0.0003127100000000 ] - [ 0.0000858600000000, 0.0006605800000000, -0.0003351000000000 ] - [ -0.0014998200000000, 0.0013615200000000, 0.0038481700000000 ] - [ -0.0001362900000000, 0.0007153700000000, -0.0003375300000000 ] - [ -0.0011959800000000, -0.0006564900000000, -0.0048721900000000 ] - [ -0.0003459000000000, -0.0007048700000000, -0.0010275200000000 ] - [ -0.0006548300000000, 0.0003890400000000, 0.0006979400000000 ] - [ 0.0022558900000000, 0.0016645800000000, 0.0003684700000000 ] - [ -0.0000373300000000, -0.0003439000000000, -0.0010092800000000 ] - [ 0.0034706300000000, -0.0027336900000000, -0.0032951700000000 ] - [ 0.0056548800000000, 0.0111713000000000, 0.0031284100000000 ] - [ -0.0009787400000000, 0.0000532700000000, 0.0008343500000000 ] - [ -0.0017772900000000, -0.0004568000000000, -0.0003892700000000 ] - [ -0.0005457600000000, 0.0002065900000000, 0.0004908900000000 ] - [ 0.0007803400000000, 0.0003418000000000, -0.0002930900000000 ] - [ -0.0063678300000000, 0.0006270900000000, 0.0040300900000000 ] - [ -0.0006493400000000, -0.0083369900000000, -0.0043086400000000 ] - [ -0.0009156800000000, -0.0001197500000000, -0.0004519500000000 ] - [ -0.0005758000000000, 0.0012751200000000, 0.0012761300000000 ] - [ 0.0030905800000000, 0.0005671900000000, 0.0010807600000000 ] - [ 0.0013306100000000, 0.0002624200000000, -0.0006089000000000 ] - [ -0.0001386600000000, -0.0000614400000000, -0.0002444900000000 ] - [ 0.0055265700000000, 0.0007015100000000, 0.0078088900000000 ] - [ -0.0012194200000000, 0.0000493700000000, 0.0002999500000000 ] - [ 0.0005766900000000, 0.0007995700000000, 0.0013338300000000 ] - [ 0.0003327400000000, 0.0002122500000000, 0.0001161900000000 ] - [ -0.0012297100000000, 0.0001697200000000, -0.0003879600000000 ] - [ -0.0029305000000000, -0.0002799500000000, -0.0104331600000000 ] - [ -0.0003032400000000, -0.0001402400000000, 0.0003663600000000 ] - [ -0.0009601700000000, 0.0007375200000000, 0.0016812500000000 ] - [ 0.0017210800000000, 0.0040408400000000, -0.0102436800000000 ] - [ 0.0002416700000000, -0.0001884000000000, -0.0002686900000000 ] - [ -0.0006728200000000, 0.0005727200000000, 0.0026403600000000 ] - [ 0.0008477000000000, 0.0003457500000000, 0.0015296700000000 ] - [ -0.0004210400000000, 0.0008684700000000, -0.0017337200000000 ] - [ -0.0007048200000000, 0.0004369600000000, -0.0006269400000000 ] - [ -0.0002350700000000, -0.0009659600000000, 0.0025063700000000 ] - [ -0.0006709600000000, -0.0004504700000000, 0.0001881600000000 ] - [ 0.0019168800000000, -0.0001847400000000, -0.0010588000000000 ] - [ -0.0007625200000000, -0.0001957500000000, -0.0008058900000000 ] - [ 0.0012313700000000, -0.0022123100000000, 0.0060117100000000 ] - [ -0.0001998300000000, 0.0002027000000000, -0.0000717400000000 ] - [ -0.0001707900000000, 0.0003320100000000, 0.0000376900000000 ] - [ 0.0003722400000000, 0.0003721600000000, -0.0016814200000000 ] - [ 0.0000352600000000, -0.0002803700000000, 0.0007664200000000 ] - [ -0.0001811500000000, -0.0006819600000000, 0.0026358200000000 ] - [ 0.0020589700000000, -0.0061847100000000, -0.0112902700000000 ] - [ -0.0001629300000000, -0.0002723100000000, -0.0006147500000000 ] - [ 0.0024981600000000, -0.0012272500000000, -0.0040223700000000 ] - [ -0.0028672900000000, -0.0001098800000000, -0.0019088600000000 ] - [ 0.0016304700000000, 0.0014616400000000, 0.0041781400000000 ] - [ -0.0001679600000000, 0.0000338000000000, 0.0013091400000000 ] - [ 0.0427958700000000, -0.0127410100000000, -0.0442226900000000 ] - [ 0.0006432300000000, 0.0000558200000000, -0.0000945000000000 ] - [ -0.0008730400000000, -0.0000682600000000, 0.0006577900000000 ] - [ 0.0000004400000000, 0.0002256400000000, -0.0000284600000000 ]- atom: 9 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0001672300000000, 0.0001909200000000, -0.0002981500000000 ] - [ 0.0008471600000000, -0.0005874900000000, -0.0005697300000000 ] - [ 0.0039765600000000, 0.0130402300000000, 0.0009985900000000 ] - [ 0.0022428700000000, -0.0010178900000000, 0.0001531400000000 ] - [ -0.0010819800000000, 0.0002534300000000, 0.0006945500000000 ] - [ 0.0006217800000000, 0.0001865500000000, 0.0004921300000000 ] - [ 0.0129588800000000, -0.0008345800000000, -0.0000827200000000 ] - [ 0.0048195800000000, 0.0001042600000000, -0.0000733600000000 ] - [ -0.0963288400000000, 0.0201777300000000, -0.0256564800000000 ] - [ 0.0025780600000000, 0.0003487800000000, 0.0004390500000000 ] - [ -0.0012742100000000, 0.0002229900000000, -0.0002291400000000 ] - [ 0.0005576400000000, 0.0003042600000000, -0.0001249300000000 ] - [ -0.0001294500000000, -0.0169930200000000, -0.0011411200000000 ] - [ 0.0015956600000000, 0.0000617600000000, -0.0000610400000000 ] - [ -0.0013479200000000, -0.0001128800000000, 0.0002838700000000 ] - [ 0.0013262800000000, -0.0002949400000000, 0.0004774700000000 ] - [ -0.0004820800000000, -0.0001795000000000, 0.0020272500000000 ] - [ 0.0007397100000000, 0.0003222800000000, 0.0003560200000000 ] - [ 0.0010317700000000, -0.0004520000000000, -0.0009433000000000 ] - [ 0.0012035100000000, 0.0010482600000000, -0.0001443700000000 ] - [ 0.0003559500000000, -0.0007260600000000, 0.0001401600000000 ] - [ 0.0004349400000000, 0.0000712400000000, -0.0008744100000000 ] - [ 0.0028813900000000, -0.0063988700000000, -0.0018930200000000 ] - [ 0.0015794400000000, 0.0007246200000000, 0.0008416800000000 ] - [ 0.0010790200000000, 0.0007681100000000, 0.0054052400000000 ] - [ 0.0010683200000000, -0.0007910100000000, 0.0006906900000000 ] - [ -0.0003452900000000, -0.0001939000000000, -0.0013586800000000 ] - [ 0.0006833800000000, -0.0004795400000000, -0.0001305700000000 ] - [ -0.0010521100000000, -0.0009404400000000, 0.0009846300000000 ] - [ 0.0012603800000000, -0.0006826900000000, 0.0008474600000000 ] - [ 0.0011626800000000, -0.0007928300000000, 0.0022008800000000 ] - [ 0.0012408000000000, 0.0011024800000000, -0.0014107000000000 ] - [ -0.0008003500000000, -0.0013064400000000, -0.0036239700000000 ] - [ 0.0011614000000000, 0.0007959000000000, 0.0000409100000000 ] - [ 0.0003985700000000, 0.0000540200000000, 0.0012244500000000 ] - [ 0.0005016300000000, 0.0008799000000000, 0.0004000600000000 ] - [ 0.0000620200000000, -0.0012029600000000, -0.0001717900000000 ] - [ 0.0004244900000000, -0.0001223300000000, 0.0013299800000000 ] - [ 0.0013393400000000, -0.0032611000000000, 0.0029269700000000 ] - [ 0.0012595700000000, -0.0002815200000000, -0.0010573800000000 ] - [ -0.0014745800000000, -0.0004196500000000, 0.0002400700000000 ] - [ 0.0014592100000000, -0.0006496200000000, -0.0001832800000000 ] - [ -0.0016327000000000, 0.0011938900000000, -0.0019582200000000 ] - [ 0.0004647000000000, -0.0010645900000000, 0.0002116800000000 ] - [ -0.0004640700000000, 0.0046983900000000, 0.0040499300000000 ] - [ 0.0004963600000000, 0.0005788700000000, -0.0002990200000000 ] - [ -0.0010589900000000, 0.0007819100000000, 0.0002176100000000 ] - [ 0.0014730500000000, 0.0005038900000000, -0.0000581200000000 ] - [ 0.0012848200000000, 0.0006160800000000, 0.0008604300000000 ] - [ 0.0017551500000000, -0.0006415000000000, -0.0003380200000000 ] - [ -0.0019492200000000, 0.0011046300000000, -0.0024208300000000 ] - [ 0.0014721200000000, -0.0005219600000000, -0.0000321000000000 ] - [ -0.0011673200000000, 0.0002683000000000, -0.0002739300000000 ] - [ 0.0010856800000000, 0.0000732300000000, -0.0006016900000000 ] - [ 0.0008104000000000, 0.0004188600000000, -0.0008711700000000 ] - [ 0.0021462900000000, 0.0000772600000000, 0.0011571600000000 ] - [ -0.0059753300000000, -0.0022852100000000, 0.0011004200000000 ] - [ 0.0017810800000000, -0.0005116100000000, -0.0001381800000000 ] - [ -0.0016668500000000, 0.0008555900000000, 0.0013926300000000 ] - [ 0.0008113600000000, -0.0011008900000000, -0.0003332400000000 ] - [ -0.0014764000000000, -0.0013847800000000, -0.0045136900000000 ] - [ 0.0011265700000000, 0.0009487900000000, 0.0000563900000000 ] - [ -0.0011372100000000, 0.0007322100000000, 0.0007530500000000 ] - [ 0.0011962500000000, 0.0003794700000000, -0.0003508900000000 ] - [ -0.0018919700000000, 0.0005924300000000, 0.0004109200000000 ] - [ 0.0014109700000000, 0.0006317500000000, 0.0006666100000000 ] - [ -0.0011424600000000, 0.0008779400000000, -0.0013354800000000 ] - [ 0.0006238400000000, 0.0007170900000000, -0.0004053500000000 ] - [ -0.0011833800000000, 0.0024724500000000, -0.0004081400000000 ] - [ 0.0009372900000000, -0.0009795400000000, -0.0007456200000000 ] - [ -0.0016565600000000, -0.0007710400000000, -0.0009006400000000 ] - [ 0.0010672600000000, 0.0011154700000000, 0.0013259200000000 ] - [ -0.0017601000000000, 0.0010564400000000, -0.0044856700000000 ] - [ -0.0012236800000000, -0.0000145400000000, 0.0000132300000000 ] - [ -0.0013784900000000, 0.0004732300000000, 0.0016457800000000 ] - [ -0.0005999200000000, -0.0007682200000000, -0.0004286600000000 ] - [ -0.0019952100000000, 0.0014799100000000, -0.0005257600000000 ] - [ -0.0011506900000000, -0.0009035500000000, 0.0015253900000000 ] - [ 0.0003326800000000, 0.0029216500000000, 0.0033793100000000 ] - [ -0.0011493400000000, -0.0008315600000000, -0.0015961200000000 ] - [ -0.0004983300000000, -0.0011434100000000, 0.0024406100000000 ] - [ -0.0030076700000000, 0.0000128500000000, -0.0005872500000000 ] - [ 0.0028198600000000, -0.0003391000000000, -0.0000878500000000 ] - [ -0.0006405300000000, 0.0001726300000000, 0.0001547300000000 ] - [ 0.0044281300000000, 0.0012712900000000, 0.0003324200000000 ] - [ -0.0009753300000000, 0.0000152100000000, -0.0002255400000000 ] - [ -0.0012168000000000, -0.0045865200000000, -0.0007313400000000 ] - [ -0.0026935800000000, 0.0005134700000000, 0.0002167800000000 ] - [ -0.0020699100000000, 0.0032444100000000, 0.0031181100000000 ] - [ -0.0030233800000000, -0.0004978900000000, -0.0013525300000000 ] - [ 0.0004151100000000, 0.0012936400000000, -0.0008839500000000 ] - [ -0.0013526200000000, -0.0001258100000000, 0.0002229700000000 ] - [ 0.0098619000000000, 0.0019508300000000, -0.0011776100000000 ] - [ -0.0047000000000000, 0.0004033200000000, -0.0014243100000000 ] - [ 0.0003703000000000, -0.0002739200000000, -0.0006229600000000 ] - [ 0.0000584200000000, -0.0001385300000000, 0.0003237900000000 ] - [ 0.0098405300000000, 0.0009648600000000, 0.0010177400000000 ] - [ -0.0014768100000000, 0.0003456700000000, 0.0002956400000000 ] - [ 0.0008676900000000, 0.0010940400000000, 0.0002333900000000 ] - [ -0.0018114600000000, 0.0003094600000000, -0.0004309600000000 ] - [ 0.0011575300000000, 0.0014063600000000, -0.0012009600000000 ] - [ -0.0020706500000000, -0.0004823200000000, -0.0001244700000000 ] - [ 0.0041371600000000, -0.0005149300000000, -0.0001511100000000 ] - [ -0.0011382900000000, -0.0003780400000000, 0.0000567400000000 ] - [ -0.0019842700000000, -0.0034909000000000, 0.0022258300000000 ] - [ -0.0026616800000000, 0.0013715300000000, -0.0012734100000000 ] - [ 0.0007623400000000, -0.0008861900000000, -0.0006258200000000 ] - [ -0.0009572600000000, 0.0003910900000000, 0.0005022700000000 ] - [ 0.0011798600000000, -0.0022826300000000, 0.0020090900000000 ] - [ -0.0012664800000000, -0.0000117800000000, 0.0001749700000000 ] - [ -0.0009164700000000, -0.0004930100000000, -0.0016800700000000 ] - [ -0.0010980600000000, -0.0000303200000000, 0.0002459200000000 ] - [ 0.0032054300000000, -0.0002766700000000, -0.0006501900000000 ] - [ -0.0024144200000000, 0.0000717900000000, -0.0010621800000000 ] - [ 0.0444732100000000, -0.0103821600000000, 0.0186845500000000 ] - [ -0.0041930400000000, -0.0006173300000000, 0.0014075000000000 ] - [ 0.0025559100000000, -0.0012601700000000, 0.0011850300000000 ] - [ -0.0016869200000000, 0.0003584700000000, 0.0003142000000000 ] - [ 0.0241626000000000, -0.0025009800000000, 0.0008524500000000 ] - [ -0.0037604000000000, -0.0002055000000000, -0.0006352500000000 ]- atom: 9 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ 0.0002262900000000, -0.0006816200000000, -0.0007019700000000 ] - [ -0.0004593600000000, 0.0000945000000000, -0.0004297100000000 ] - [ -0.0043760400000000, -0.0134227700000000, 0.0000149200000000 ] - [ -0.0026303300000000, 0.0005325600000000, 0.0008467300000000 ] - [ 0.0006880500000000, 0.0002362800000000, 0.0003013300000000 ] - [ -0.0010075000000000, 0.0003048700000000, 0.0005046000000000 ] - [ -0.0127714600000000, 0.0013408900000000, -0.0009112100000000 ] - [ -0.0044037800000000, 0.0003866400000000, -0.0009133900000000 ] - [ 0.0980066800000000, -0.0205710100000000, 0.0287134200000000 ] - [ -0.0019336400000000, 0.0002512300000000, 0.0001514400000000 ] - [ 0.0006339100000000, 0.0003751800000000, -0.0003608000000000 ] - [ -0.0011985300000000, 0.0002963400000000, -0.0004630600000000 ] - [ -0.0004409800000000, 0.0164983500000000, 0.0005801500000000 ] - [ -0.0022341200000000, -0.0006568200000000, -0.0005236700000000 ] - [ 0.0019851000000000, -0.0004868800000000, 0.0002983800000000 ] - [ -0.0006833200000000, -0.0003052300000000, 0.0001093700000000 ] - [ 0.0002373300000000, 0.0006844200000000, -0.0010178600000000 ] - [ -0.0009760100000000, 0.0001769300000000, 0.0006596800000000 ] - [ -0.0007845600000000, 0.0009476200000000, -0.0000733400000000 ] - [ -0.0009672100000000, -0.0005493100000000, -0.0008694300000000 ] - [ -0.0001114400000000, 0.0002274700000000, -0.0011592900000000 ] - [ -0.0001986400000000, -0.0005678600000000, -0.0001454100000000 ] - [ -0.0031217100000000, 0.0058475500000000, 0.0029017800000000 ] - [ -0.0018210300000000, -0.0012315500000000, 0.0001697400000000 ] - [ -0.0011484100000000, -0.0017262800000000, -0.0039784200000000 ] - [ -0.0011121300000000, -0.0001881300000000, 0.0007265900000000 ] - [ 0.0003983800000000, -0.0007832300000000, -0.0000544000000000 ] - [ -0.0006369700000000, -0.0004990200000000, -0.0012845800000000 ] - [ 0.0017986000000000, -0.0004655700000000, 0.0003477700000000 ] - [ -0.0005023400000000, -0.0007162700000000, 0.0004796600000000 ] - [ -0.0010961500000000, 0.0017668900000000, -0.0036035700000000 ] - [ -0.0011853600000000, -0.0001173500000000, -0.0000127600000000 ] - [ 0.0009504700000000, 0.0023935100000000, 0.0022481500000000 ] - [ -0.0009990600000000, 0.0003086300000000, -0.0014024000000000 ] - [ -0.0005539000000000, 0.0010517700000000, 0.0001367300000000 ] - [ -0.0006636300000000, 0.0002315900000000, 0.0009584400000000 ] - [ -0.0002156600000000, 0.0000923700000000, 0.0015306600000000 ] - [ -0.0005891900000000, -0.0009839400000000, 0.0000281700000000 ] - [ -0.0011851300000000, 0.0021318500000000, -0.0042599900000000 ] - [ -0.0010963900000000, -0.0008256400000000, -0.0002961700000000 ] - [ 0.0026441500000000, -0.0010027800000000, -0.0003472400000000 ] - [ -0.0002850100000000, -0.0007590500000000, 0.0000849400000000 ] - [ 0.0004749000000000, -0.0025930900000000, 0.0020540000000000 ] - [ -0.0016394100000000, -0.0003444000000000, -0.0001089400000000 ] - [ -0.0007057100000000, -0.0033187900000000, -0.0039914800000000 ] - [ -0.0016677000000000, 0.0008265300000000, 0.0003971200000000 ] - [ 0.0022251700000000, 0.0006220800000000, -0.0003153000000000 ] - [ -0.0002983000000000, 0.0009070100000000, -0.0000421800000000 ] - [ -0.0009636400000000, -0.0009666800000000, 0.0000306800000000 ] - [ -0.0014354900000000, 0.0002907900000000, 0.0012301600000000 ] - [ 0.0016139700000000, -0.0014354200000000, 0.0015164300000000 ] - [ -0.0017824400000000, 0.0001770300000000, -0.0008630500000000 ] - [ 0.0008392600000000, 0.0000790900000000, -0.0006186300000000 ] - [ -0.0013970900000000, 0.0002739200000000, -0.0002915700000000 ] - [ -0.0004712000000000, -0.0000647200000000, 0.0017701700000000 ] - [ -0.0018384900000000, 0.0002722200000000, -0.0002610400000000 ] - [ 0.0064812200000000, 0.0009902900000000, -0.0012573000000000 ] - [ -0.0012748900000000, -0.0007580600000000, -0.0000615300000000 ] - [ 0.0011642800000000, -0.0021352200000000, -0.0011978500000000 ] - [ -0.0013139700000000, -0.0001741600000000, 0.0005280200000000 ] - [ 0.0010290800000000, 0.0026714000000000, 0.0046834800000000 ] - [ -0.0016311500000000, 0.0003247100000000, 0.0001409400000000 ] - [ 0.0016417200000000, 0.0005478800000000, -0.0009603400000000 ] - [ -0.0006918400000000, 0.0008934900000000, 0.0001552800000000 ] - [ 0.0026426500000000, 0.0008141900000000, 0.0009194300000000 ] - [ -0.0006532100000000, 0.0007678700000000, 0.0006632000000000 ] - [ 0.0003910300000000, 0.0005290400000000, -0.0000049800000000 ] - [ -0.0013794500000000, 0.0006832300000000, -0.0009196800000000 ] - [ 0.0004347700000000, -0.0038951800000000, -0.0009160200000000 ] - [ -0.0016919600000000, -0.0004229900000000, -0.0005824900000000 ] - [ 0.0016018600000000, 0.0017387300000000, 0.0023120400000000 ] - [ -0.0011134000000000, -0.0001389900000000, 0.0000878400000000 ] - [ 0.0028604000000000, -0.0012881200000000, 0.0031899800000000 ] - [ 0.0022962200000000, -0.0001948400000000, -0.0013052900000000 ] - [ 0.0002881300000000, -0.0006804200000000, -0.0003565500000000 ] - [ -0.0004758300000000, 0.0005573000000000, 0.0017146000000000 ] - [ 0.0009018200000000, -0.0012702000000000, 0.0018173600000000 ] - [ 0.0000679300000000, 0.0010989700000000, -0.0002304300000000 ] - [ 0.0007537200000000, -0.0026965700000000, -0.0046697600000000 ] - [ 0.0022300300000000, 0.0010479300000000, 0.0003136800000000 ] - [ -0.0011723300000000, 0.0010970400000000, -0.0025602200000000 ] - [ 0.0013717700000000, -0.0000261400000000, 0.0004485100000000 ] - [ -0.0011709400000000, 0.0003270000000000, 0.0002241200000000 ] - [ 0.0022735700000000, -0.0001834000000000, -0.0000219000000000 ] - [ -0.0027526100000000, -0.0012364900000000, -0.0001971800000000 ] - [ 0.0026085800000000, -0.0000086700000000, 0.0003631100000000 ] - [ -0.0004232200000000, 0.0046069200000000, 0.0005941900000000 ] - [ 0.0010537200000000, -0.0004962000000000, -0.0003513800000000 ] - [ 0.0029477100000000, -0.0029204900000000, -0.0032244800000000 ] - [ 0.0039294100000000, 0.0008320000000000, 0.0012520200000000 ] - [ -0.0013107600000000, -0.0009444000000000, 0.0009807500000000 ] - [ 0.0004466500000000, 0.0004728100000000, -0.0001304300000000 ] - [ -0.0100416400000000, -0.0021544800000000, 0.0007830500000000 ] - [ 0.0038065900000000, -0.0007537600000000, 0.0015258700000000 ] - [ 0.0005279300000000, -0.0000713900000000, 0.0005310800000000 ] - [ 0.0008451800000000, -0.0002079500000000, -0.0004143100000000 ] - [ -0.0088171300000000, -0.0000310800000000, -0.0005844200000000 ] - [ 0.0025181200000000, 0.0005116900000000, 0.0001773500000000 ] - [ -0.0019136300000000, -0.0002283900000000, -0.0006994000000000 ] - [ 0.0007690600000000, 0.0005444900000000, -0.0000435200000000 ] - [ -0.0022013600000000, -0.0022410100000000, 0.0007159700000000 ] - [ 0.0010282400000000, -0.0003733500000000, -0.0003519900000000 ] - [ -0.0030849500000000, -0.0003503700000000, 0.0006338000000000 ] - [ 0.0021781200000000, -0.0004766300000000, 0.0004225300000000 ] - [ 0.0019672400000000, 0.0039988000000000, -0.0029715100000000 ] - [ 0.0026385200000000, -0.0008756600000000, 0.0005367700000000 ] - [ -0.0007357500000000, 0.0013734000000000, 0.0013588000000000 ] - [ 0.0009692500000000, 0.0000920100000000, 0.0002250100000000 ] - [ -0.0011531100000000, 0.0018034700000000, -0.0012891900000000 ] - [ 0.0012789600000000, -0.0004726700000000, 0.0005524500000000 ] - [ 0.0008927000000000, 0.0000074200000000, 0.0009592600000000 ] - [ 0.0010779400000000, -0.0004506600000000, -0.0009627400000000 ] - [ -0.0037778700000000, 0.0001991500000000, -0.0008296800000000 ] - [ 0.0018316700000000, -0.0001543800000000, -0.0004214200000000 ] - [ -0.0455787200000000, 0.0110560400000000, -0.0190794700000000 ] - [ 0.0047554200000000, 0.0005306400000000, 0.0000806400000000 ] - [ -0.0019826900000000, 0.0013377400000000, 0.0003111500000000 ] - [ 0.0022660200000000, -0.0002741800000000, 0.0011726300000000 ] - [ -0.0247373300000000, 0.0024818600000000, -0.0024139000000000 ] - [ 0.0031787500000000, 0.0002863000000000, -0.0008559000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007021800000000, 0.0000500400000000, -0.0005727400000000 ] - [ -0.0001628100000000, -0.0000897500000000, -0.0004473400000000 ] - [ 0.0115847000000000, 0.0080958500000000, 0.0000614800000000 ] - [ -0.0007750100000000, -0.0004716700000000, 0.0003266100000000 ] - [ -0.0003180600000000, 0.0013220200000000, 0.0005909200000000 ] - [ -0.0001548300000000, 0.0005510500000000, 0.0005875800000000 ] - [ 0.0016479200000000, -0.0043574000000000, -0.0005694000000000 ] - [ 0.0003178700000000, -0.0013881000000000, -0.0004711900000000 ] - [ 0.0206205200000000, -0.1393692200000000, -0.0017431200000000 ] - [ 0.0003695700000000, -0.0000695100000000, 0.0002138000000000 ] - [ -0.0002441900000000, 0.0014683100000000, -0.0004495400000000 ] - [ -0.0003225400000000, 0.0005622000000000, -0.0002430400000000 ] - [ -0.0172393000000000, 0.0207156000000000, -0.0036395500000000 ] - [ 0.0000413500000000, -0.0004908000000000, -0.0004935600000000 ] - [ 0.0001319200000000, -0.0000831800000000, 0.0000348400000000 ] - [ 0.0003150100000000, -0.0002416600000000, 0.0003291700000000 ] - [ -0.0000974300000000, -0.0013131300000000, 0.0003193000000000 ] - [ -0.0000132300000000, 0.0000037100000000, 0.0007524800000000 ] - [ -0.0010105200000000, 0.0022730400000000, 0.0000660300000000 ] - [ 0.0010385300000000, 0.0019276000000000, -0.0000879400000000 ] - [ -0.0000975100000000, -0.0001417300000000, -0.0006318600000000 ] - [ 0.0004567900000000, -0.0001480700000000, -0.0006063400000000 ] - [ -0.0080137000000000, 0.0038790700000000, 0.0041687300000000 ] - [ 0.0004669800000000, -0.0004094700000000, 0.0004890900000000 ] - [ 0.0021521300000000, -0.0038858600000000, 0.0034188800000000 ] - [ -0.0000841600000000, -0.0008107100000000, 0.0008658700000000 ] - [ 0.0009192100000000, 0.0008642600000000, -0.0005295200000000 ] - [ -0.0000741400000000, 0.0003592100000000, -0.0005512000000000 ] - [ 0.0006044000000000, -0.0001914800000000, -0.0001216700000000 ] - [ 0.0003261900000000, -0.0007399900000000, 0.0006851600000000 ] - [ -0.0008762600000000, -0.0006272800000000, -0.0017559200000000 ] - [ 0.0003356700000000, -0.0000088500000000, -0.0007242100000000 ] - [ -0.0007118900000000, -0.0007451800000000, 0.0009874200000000 ] - [ 0.0004614800000000, 0.0001593200000000, -0.0005775600000000 ] - [ -0.0008427200000000, 0.0013117800000000, -0.0003426200000000 ] - [ 0.0003983200000000, 0.0010037400000000, 0.0003085000000000 ] - [ -0.0005615600000000, 0.0003642600000000, 0.0010913600000000 ] - [ 0.0001880300000000, 0.0000718200000000, 0.0010605600000000 ] - [ -0.0035792300000000, -0.0023799500000000, -0.0050652200000000 ] - [ 0.0002338900000000, -0.0008868300000000, -0.0009355200000000 ] - [ 0.0007688800000000, 0.0037004900000000, 0.0023969400000000 ] - [ 0.0006203900000000, -0.0005576400000000, -0.0000107700000000 ] - [ 0.0016779200000000, -0.0019076800000000, -0.0037162900000000 ] - [ -0.0007084000000000, -0.0009359900000000, -0.0000820100000000 ] - [ 0.0028054100000000, 0.0013473300000000, 0.0055809400000000 ] - [ -0.0007955200000000, 0.0002878600000000, -0.0000053000000000 ] - [ 0.0007150600000000, 0.0025176400000000, -0.0011254700000000 ] - [ 0.0005540300000000, 0.0009311700000000, -0.0001571300000000 ] - [ 0.0023124100000000, 0.0003421600000000, 0.0014360100000000 ] - [ -0.0014950500000000, 0.0001948300000000, 0.0016604700000000 ] - [ 0.0008860700000000, -0.0001310700000000, -0.0012451600000000 ] - [ -0.0005919100000000, -0.0002939500000000, -0.0004779000000000 ] - [ -0.0005460100000000, 0.0016202300000000, -0.0002506500000000 ] - [ -0.0003211900000000, 0.0005910500000000, -0.0002102300000000 ] - [ -0.0004750100000000, -0.0014175600000000, 0.0006098600000000 ] - [ -0.0000697700000000, -0.0013231400000000, 0.0004249100000000 ] - [ 0.0009095500000000, -0.0011666400000000, -0.0067467200000000 ] - [ 0.0002635800000000, -0.0008375000000000, -0.0001196400000000 ] - [ -0.0005724100000000, 0.0017432300000000, 0.0012314100000000 ] - [ -0.0005281700000000, -0.0002607500000000, 0.0002203400000000 ] - [ -0.0040451800000000, -0.0029188400000000, 0.0060598500000000 ] - [ -0.0001079100000000, 0.0002532300000000, 0.0004143700000000 ] - [ 0.0006846700000000, 0.0047374600000000, -0.0029161600000000 ] - [ 0.0001724300000000, 0.0008445000000000, -0.0000068600000000 ] - [ 0.0003567300000000, 0.0055218300000000, 0.0013213600000000 ] - [ 0.0003263600000000, 0.0009301200000000, 0.0006958700000000 ] - [ -0.0005261700000000, -0.0012107100000000, 0.0002481900000000 ] - [ -0.0004727000000000, 0.0004766600000000, -0.0005541400000000 ] - [ 0.0047771200000000, 0.0045546600000000, 0.0024959900000000 ] - [ -0.0009411800000000, -0.0005676900000000, -0.0006413100000000 ] - [ 0.0001484300000000, 0.0025131900000000, 0.0018386500000000 ] - [ 0.0003598600000000, 0.0009614500000000, 0.0008070400000000 ] - [ 0.0004240000000000, 0.0070090300000000, 0.0010282300000000 ] - [ 0.0008223800000000, 0.0005242900000000, -0.0008093500000000 ] - [ -0.0006518500000000, -0.0022428600000000, -0.0003829200000000 ] - [ -0.0004370800000000, -0.0017694200000000, -0.0002973700000000 ] - [ 0.0002556200000000, 0.0002978100000000, 0.0014296500000000 ] - [ -0.0017237000000000, 0.0002364400000000, 0.0011601300000000 ] - [ 0.0021569300000000, -0.0018461000000000, -0.0069223300000000 ] - [ -0.0010917900000000, 0.0001949700000000, -0.0006048300000000 ] - [ -0.0005609400000000, 0.0080251000000000, -0.0003075700000000 ] - [ -0.0006373700000000, 0.0005284400000000, -0.0002474200000000 ] - [ 0.0014981900000000, -0.0064819900000000, -0.0000000800000000 ] - [ 0.0009548700000000, -0.0003292400000000, 0.0000058100000000 ] - [ -0.0002767500000000, -0.0026473900000000, 0.0017244300000000 ] - [ 0.0011089200000000, -0.0000050300000000, 0.0001194900000000 ] - [ -0.0035992800000000, -0.0038386300000000, -0.0051974100000000 ] - [ 0.0004725200000000, 0.0000959200000000, -0.0000941100000000 ] - [ 0.0047330600000000, 0.0016906400000000, -0.0015555900000000 ] - [ -0.0026857700000000, 0.0012468400000000, -0.0013501600000000 ] - [ 0.0003343700000000, -0.0007244500000000, 0.0011759100000000 ] - [ -0.0007701000000000, 0.0000063600000000, -0.0000573200000000 ] - [ 0.0025564700000000, 0.0105567800000000, -0.0009515600000000 ] - [ -0.0005330000000000, 0.0004513900000000, 0.0000602800000000 ] - [ 0.0001318600000000, -0.0013246500000000, -0.0000768300000000 ] - [ 0.0006169400000000, -0.0009499800000000, -0.0001386700000000 ] - [ -0.0004175600000000, 0.0177825000000000, -0.0014001600000000 ] - [ 0.0004955100000000, 0.0004404700000000, 0.0003752300000000 ] - [ 0.0000329300000000, -0.0005469900000000, -0.0013133600000000 ] - [ -0.0007527300000000, 0.0004419100000000, -0.0003808500000000 ] - [ -0.0007439800000000, -0.0074994000000000, 0.0015145800000000 ] - [ -0.0008776600000000, -0.0009173500000000, -0.0000335000000000 ] - [ 0.0007668100000000, 0.0017162600000000, -0.0005927100000000 ] - [ 0.0004461500000000, -0.0002002300000000, 0.0001688300000000 ] - [ -0.0035767200000000, 0.0006250700000000, 0.0008433200000000 ] - [ 0.0026515900000000, 0.0006443800000000, 0.0004530500000000 ] - [ -0.0005846000000000, -0.0006888500000000, -0.0004211100000000 ] - [ 0.0003055000000000, 0.0001459100000000, 0.0002093400000000 ] - [ -0.0001093500000000, -0.0047872000000000, 0.0022711900000000 ] - [ 0.0005548500000000, -0.0007258000000000, 0.0005885800000000 ] - [ -0.0007939400000000, 0.0008154600000000, -0.0011550200000000 ] - [ 0.0004421500000000, 0.0003232000000000, -0.0006618100000000 ] - [ -0.0000007300000000, -0.0026405300000000, -0.0010337100000000 ] - [ -0.0003225600000000, -0.0004640300000000, -0.0009107600000000 ] - [ -0.0149068000000000, 0.0297620100000000, -0.0090637200000000 ] - [ 0.0000945900000000, 0.0006717900000000, 0.0009245400000000 ] - [ -0.0011466900000000, -0.0015583900000000, 0.0024979400000000 ] - [ 0.0005574900000000, -0.0002504800000000, 0.0006238900000000 ] - [ 0.0007863900000000, 0.0511922600000000, 0.0147290600000000 ] - [ -0.0002750000000000, 0.0003407600000000, -0.0009184500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002993300000000, -0.0005365100000000, -0.0004307200000000 ] - [ 0.0005720100000000, -0.0003990200000000, -0.0005587500000000 ] - [ -0.0118384900000000, -0.0085207300000000, 0.0009305500000000 ] - [ 0.0003740700000000, -0.0000267800000000, 0.0006785400000000 ] - [ -0.0000876300000000, -0.0008383900000000, 0.0004204100000000 ] - [ -0.0002510700000000, -0.0000617200000000, 0.0004210500000000 ] - [ -0.0011619400000000, 0.0048434600000000, -0.0004452000000000 ] - [ 0.0000742800000000, 0.0018854300000000, -0.0005483700000000 ] - [ -0.0201227600000000, 0.1385968300000000, -0.0000336500000000 ] - [ 0.0002699100000000, 0.0006757300000000, 0.0003692700000000 ] - [ -0.0003938900000000, -0.0008673200000000, -0.0001293400000000 ] - [ -0.0003116700000000, 0.0000443700000000, -0.0003415900000000 ] - [ 0.0162570200000000, -0.0209857600000000, 0.0029685300000000 ] - [ -0.0006741400000000, -0.0001213300000000, -0.0000938400000000 ] - [ 0.0005028800000000, -0.0005172700000000, 0.0005606600000000 ] - [ 0.0003233800000000, -0.0003637700000000, 0.0002576900000000 ] - [ -0.0001391900000000, 0.0018385200000000, 0.0007068400000000 ] - [ -0.0002188400000000, 0.0005140800000000, 0.0002628500000000 ] - [ 0.0012329500000000, -0.0017561700000000, -0.0010751300000000 ] - [ -0.0007990700000000, -0.0014125900000000, -0.0009271500000000 ] - [ 0.0003332300000000, -0.0003796400000000, -0.0003826100000000 ] - [ -0.0002253600000000, -0.0003714000000000, -0.0004034400000000 ] - [ 0.0078633300000000, -0.0044133100000000, -0.0031922900000000 ] - [ -0.0006983500000000, -0.0000981100000000, 0.0005239400000000 ] - [ -0.0021961300000000, 0.0029140200000000, -0.0019916800000000 ] - [ 0.0000398200000000, -0.0001644900000000, 0.0005507100000000 ] - [ -0.0008824400000000, -0.0018377700000000, -0.0008862800000000 ] - [ 0.0001262900000000, -0.0013310800000000, -0.0008637600000000 ] - [ 0.0001562400000000, -0.0012304600000000, 0.0014866100000000 ] - [ 0.0004418500000000, -0.0006680400000000, 0.0006582600000000 ] - [ 0.0009348600000000, 0.0015880000000000, 0.0003509900000000 ] - [ -0.0002955000000000, 0.0009789900000000, -0.0006911600000000 ] - [ 0.0008719700000000, 0.0018703700000000, -0.0023531500000000 ] - [ -0.0002941900000000, 0.0009465100000000, -0.0007808100000000 ] - [ 0.0006701000000000, -0.0002176500000000, 0.0016934700000000 ] - [ -0.0005658500000000, 0.0000904400000000, 0.0010483200000000 ] - [ 0.0003955100000000, -0.0014714200000000, 0.0002721600000000 ] - [ -0.0003513300000000, -0.0011760400000000, 0.0003032600000000 ] - [ 0.0037774000000000, 0.0013050500000000, 0.0037384600000000 ] - [ -0.0000659500000000, -0.0002093100000000, -0.0004266200000000 ] - [ 0.0004068300000000, -0.0051461400000000, -0.0025029200000000 ] - [ 0.0005588600000000, -0.0008587500000000, -0.0000946200000000 ] - [ -0.0028737300000000, 0.0005203100000000, 0.0038349100000000 ] - [ -0.0004682800000000, -0.0004754200000000, 0.0001886500000000 ] - [ -0.0039798200000000, 0.0001330000000000, -0.0054851100000000 ] - [ -0.0003816100000000, 0.0011305300000000, 0.0001113400000000 ] - [ 0.0004642700000000, -0.0011255600000000, 0.0010162600000000 ] - [ 0.0006255300000000, 0.0004810800000000, 0.0000528600000000 ] - [ -0.0019964600000000, -0.0006842600000000, -0.0005338700000000 ] - [ 0.0018225700000000, -0.0005445400000000, -0.0007581500000000 ] - [ -0.0012228700000000, -0.0002353400000000, 0.0003346100000000 ] - [ 0.0002765100000000, -0.0000624700000000, -0.0004340400000000 ] - [ 0.0002390900000000, -0.0012763400000000, -0.0006564700000000 ] - [ -0.0000021600000000, -0.0002414500000000, -0.0007007300000000 ] - [ 0.0007936500000000, 0.0017734600000000, 0.0002973700000000 ] - [ 0.0003951500000000, 0.0016809900000000, 0.0004903500000000 ] - [ -0.0004342900000000, -0.0002006400000000, 0.0066055600000000 ] - [ 0.0002446600000000, -0.0004334100000000, -0.0000731500000000 ] - [ 0.0000677200000000, -0.0030054100000000, -0.0010523100000000 ] - [ 0.0000244000000000, -0.0010093300000000, -0.0000262900000000 ] - [ 0.0035250700000000, 0.0041611200000000, -0.0058686100000000 ] - [ -0.0003951400000000, 0.0010176700000000, -0.0002215200000000 ] - [ -0.0001937500000000, -0.0035064300000000, 0.0027771000000000 ] - [ 0.0003338100000000, 0.0004278800000000, -0.0001866900000000 ] - [ 0.0004146800000000, -0.0041484300000000, 0.0000152000000000 ] - [ 0.0004411900000000, 0.0004763600000000, 0.0006457800000000 ] - [ -0.0002401100000000, 0.0026257500000000, -0.0015855200000000 ] - [ -0.0002929000000000, 0.0009314200000000, -0.0007825400000000 ] - [ -0.0056087600000000, -0.0059939300000000, -0.0038794400000000 ] - [ 0.0001793600000000, -0.0008380200000000, -0.0007036700000000 ] - [ -0.0001972500000000, -0.0015441600000000, -0.0004331800000000 ] - [ -0.0004050200000000, 0.0000155300000000, 0.0006118800000000 ] - [ 0.0006729800000000, -0.0072478500000000, -0.0023363600000000 ] - [ 0.0002668800000000, -0.0007262400000000, -0.0004828200000000 ] - [ -0.0004355500000000, 0.0020482000000000, 0.0016674900000000 ] - [ -0.0006705800000000, 0.0015721900000000, 0.0015888400000000 ] - [ -0.0013554200000000, -0.0000745100000000, -0.0001334800000000 ] - [ 0.0006409800000000, -0.0000235600000000, 0.0001287200000000 ] - [ -0.0010680300000000, 0.0020386900000000, 0.0056783500000000 ] - [ 0.0021878300000000, -0.0000012500000000, -0.0006917200000000 ] - [ -0.0010912600000000, -0.0080683500000000, 0.0001735000000000 ] - [ -0.0010151600000000, -0.0005389600000000, 0.0000967500000000 ] - [ 0.0001376400000000, 0.0065257800000000, 0.0001280900000000 ] - [ 0.0006941500000000, 0.0003232200000000, 0.0001417200000000 ] - [ 0.0019462700000000, 0.0027175300000000, -0.0015911000000000 ] - [ 0.0005364700000000, 0.0000155500000000, 0.0000248100000000 ] - [ 0.0019583300000000, 0.0037968800000000, 0.0051253800000000 ] - [ -0.0021280400000000, -0.0000916500000000, -0.0000508700000000 ] - [ -0.0038250400000000, -0.0013111400000000, 0.0014673500000000 ] - [ 0.0035864700000000, -0.0008974000000000, 0.0012605800000000 ] - [ -0.0012460400000000, 0.0010692600000000, -0.0011029700000000 ] - [ -0.0001316100000000, 0.0003344900000000, 0.0001475300000000 ] - [ -0.0034407500000000, -0.0109490600000000, 0.0010774400000000 ] - [ -0.0003911900000000, -0.0007907800000000, 0.0000209100000000 ] - [ 0.0007733500000000, 0.0009816800000000, -0.0000140700000000 ] - [ 0.0002834200000000, 0.0006094300000000, 0.0000478500000000 ] - [ 0.0016108300000000, -0.0182995100000000, 0.0023949500000000 ] - [ 0.0005430000000000, 0.0004104800000000, 0.0001029000000000 ] - [ -0.0010782900000000, 0.0014128000000000, 0.0008336900000000 ] - [ -0.0002922800000000, 0.0004128800000000, -0.0000986100000000 ] - [ -0.0002959000000000, 0.0066454100000000, -0.0019739600000000 ] - [ -0.0001685300000000, 0.0000660700000000, -0.0004417000000000 ] - [ 0.0002849300000000, -0.0025867800000000, 0.0010502700000000 ] - [ 0.0005937800000000, -0.0006538400000000, 0.0003062800000000 ] - [ 0.0035779000000000, -0.0001753800000000, -0.0015628800000000 ] - [ -0.0026893900000000, -0.0001688200000000, -0.0011797900000000 ] - [ 0.0006067600000000, 0.0011814100000000, 0.0011404500000000 ] - [ -0.0002877600000000, 0.0003399600000000, 0.0005152500000000 ] - [ 0.0001213200000000, 0.0043141900000000, -0.0015316400000000 ] - [ -0.0005309100000000, 0.0002451100000000, 0.0001397300000000 ] - [ 0.0007682200000000, -0.0013042900000000, 0.0004197300000000 ] - [ -0.0004596500000000, -0.0008116300000000, -0.0000686500000000 ] - [ -0.0005763500000000, 0.0025662000000000, -0.0004549300000000 ] - [ -0.0002598700000000, 0.0003816400000000, -0.0005773900000000 ] - [ 0.0152717500000000, -0.0299436400000000, 0.0103900500000000 ] - [ 0.0004872600000000, -0.0007552600000000, 0.0005622400000000 ] - [ 0.0017502300000000, 0.0016336900000000, -0.0010375800000000 ] - [ 0.0000152500000000, 0.0003327400000000, 0.0008592500000000 ] - [ -0.0010323700000000, -0.0484620400000000, -0.0142460400000000 ] - [ -0.0003112100000000, -0.0002543400000000, -0.0005635900000000 ]- atom: 9 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ -0.0002924000000000, -0.0003545000000000, 0.0007412100000000 ] - [ 0.0005143900000000, -0.0003604600000000, 0.0000310100000000 ] - [ 0.0024366400000000, 0.0013549100000000, -0.0056257000000000 ] - [ -0.0000312400000000, -0.0005286100000000, 0.0001174400000000 ] - [ -0.0005673200000000, 0.0000858000000000, 0.0015434000000000 ] - [ -0.0001271500000000, 0.0002238500000000, 0.0007505200000000 ] - [ 0.0030516500000000, -0.0001631900000000, -0.0042802100000000 ] - [ -0.0011512000000000, 0.0003733200000000, -0.0022806400000000 ] - [ -0.0243111000000000, -0.0017717500000000, -0.0935629000000000 ] - [ 0.0004159400000000, 0.0002248500000000, 0.0000029000000000 ] - [ -0.0002327900000000, 0.0004664300000000, 0.0006976600000000 ] - [ -0.0001663200000000, 0.0002541600000000, -0.0000525500000000 ] - [ -0.0011459000000000, -0.0033130600000000, -0.0093901000000000 ] - [ -0.0001259200000000, -0.0005108900000000, -0.0006315000000000 ] - [ 0.0003453300000000, -0.0000486000000000, 0.0020940200000000 ] - [ 0.0004811800000000, -0.0003391500000000, 0.0005412500000000 ] - [ 0.0000096500000000, -0.0005990200000000, 0.0036044100000000 ] - [ -0.0002096000000000, 0.0001445200000000, 0.0011757500000000 ] - [ 0.0002454800000000, 0.0001870700000000, -0.0011294800000000 ] - [ 0.0004962500000000, 0.0005601500000000, -0.0008623700000000 ] - [ 0.0000575700000000, -0.0005290200000000, 0.0004799100000000 ] - [ -0.0000176100000000, -0.0004027300000000, 0.0004062000000000 ] - [ -0.0014786000000000, 0.0018496600000000, -0.0023531300000000 ] - [ 0.0002549800000000, -0.0000779400000000, 0.0001169400000000 ] - [ 0.0054702900000000, 0.0008495200000000, 0.0066783700000000 ] - [ -0.0003804400000000, -0.0003175100000000, 0.0005478900000000 ] - [ -0.0006359500000000, -0.0009598300000000, -0.0010991100000000 ] - [ 0.0004700500000000, -0.0004354500000000, -0.0006143000000000 ] - [ -0.0005064700000000, -0.0024629700000000, 0.0053696100000000 ] - [ 0.0005151000000000, -0.0007225500000000, 0.0009852400000000 ] - [ 0.0019998100000000, -0.0007136300000000, 0.0006587000000000 ] - [ -0.0007521100000000, 0.0003153000000000, -0.0004863300000000 ] - [ -0.0016650900000000, 0.0023393600000000, 0.0007219200000000 ] - [ 0.0005577900000000, 0.0005557400000000, -0.0004205000000000 ] - [ 0.0001423900000000, 0.0002511700000000, 0.0006313300000000 ] - [ -0.0004220300000000, 0.0000989600000000, 0.0004352700000000 ] - [ -0.0007452600000000, 0.0000301100000000, 0.0004383600000000 ] - [ 0.0004077900000000, -0.0002758500000000, 0.0008262300000000 ] - [ 0.0036396800000000, -0.0035195500000000, 0.0020251100000000 ] - [ -0.0002902900000000, -0.0008197900000000, -0.0009648100000000 ] - [ 0.0003739400000000, 0.0011779700000000, 0.0004079100000000 ] - [ 0.0006762200000000, -0.0006926900000000, -0.0001618600000000 ] - [ -0.0030550600000000, -0.0041804800000000, 0.0036578900000000 ] - [ -0.0000996400000000, -0.0009747800000000, 0.0000388000000000 ] - [ 0.0047687600000000, 0.0077195000000000, 0.0056408500000000 ] - [ -0.0006644000000000, 0.0007950600000000, 0.0000961400000000 ] - [ 0.0002325000000000, -0.0016470100000000, 0.0003239100000000 ] - [ 0.0007395100000000, 0.0006172900000000, 0.0000200800000000 ] - [ 0.0021536200000000, 0.0009275000000000, 0.0002837500000000 ] - [ -0.0006755000000000, 0.0001958900000000, 0.0004103100000000 ] - [ -0.0029901000000000, -0.0018845000000000, -0.0000058900000000 ] - [ 0.0005643600000000, -0.0005022800000000, -0.0002524500000000 ] - [ 0.0004931400000000, 0.0001859700000000, -0.0004984500000000 ] - [ -0.0004599600000000, 0.0001960100000000, -0.0006072400000000 ] - [ -0.0030360600000000, -0.0005631100000000, 0.0003684300000000 ] - [ 0.0030430600000000, -0.0001639400000000, 0.0006617900000000 ] - [ -0.0026993500000000, -0.0127526800000000, 0.0153485900000000 ] - [ 0.0003645700000000, -0.0006831000000000, -0.0000363300000000 ] - [ -0.0003762100000000, 0.0011188700000000, 0.0004050400000000 ] - [ -0.0003082100000000, -0.0005544100000000, 0.0001768600000000 ] - [ -0.0088235700000000, 0.0038318800000000, 0.0099561300000000 ] - [ 0.0003286600000000, 0.0008388300000000, -0.0001288600000000 ] - [ 0.0000531900000000, 0.0000009000000000, 0.0006728300000000 ] - [ 0.0003695600000000, 0.0005755000000000, -0.0001497100000000 ] - [ 0.0001292400000000, 0.0001450400000000, -0.0004117800000000 ] - [ 0.0004725200000000, 0.0006938300000000, 0.0004399400000000 ] - [ -0.0007255800000000, -0.0002486700000000, 0.0032696800000000 ] - [ -0.0000373600000000, 0.0006760500000000, -0.0000691400000000 ] - [ -0.0004801600000000, 0.0008598200000000, -0.0036855300000000 ] - [ -0.0003316900000000, -0.0006722700000000, -0.0010534000000000 ] - [ -0.0003539500000000, 0.0011633800000000, 0.0006102100000000 ] - [ 0.0004704200000000, 0.0007939200000000, 0.0009267300000000 ] - [ -0.0044488700000000, 0.0036074600000000, -0.0054332100000000 ] - [ 0.0022192600000000, 0.0001820500000000, -0.0010475600000000 ] - [ -0.0001223200000000, -0.0000653000000000, 0.0015664700000000 ] - [ -0.0012015900000000, -0.0002364900000000, 0.0009290500000000 ] - [ -0.0016214400000000, 0.0016966300000000, -0.0004017300000000 ] - [ 0.0011827300000000, 0.0010164700000000, -0.0002305100000000 ] - [ 0.0021526700000000, -0.0023714400000000, -0.0000987600000000 ] - [ -0.0007931400000000, 0.0000624600000000, -0.0005016500000000 ] - [ 0.0048298400000000, 0.0050666000000000, -0.0063395600000000 ] - [ -0.0026169100000000, 0.0000341400000000, -0.0006008600000000 ] - [ 0.0003702300000000, -0.0003573600000000, 0.0007205200000000 ] - [ 0.0008317900000000, 0.0000555300000000, 0.0003643100000000 ] - [ 0.0050877600000000, 0.0085656100000000, -0.0037471400000000 ] - [ 0.0004300500000000, 0.0001375300000000, -0.0003100400000000 ] - [ -0.0038406800000000, -0.0074932400000000, 0.0033134600000000 ] - [ -0.0003677800000000, -0.0001154700000000, 0.0001859700000000 ] - [ 0.0022424200000000, 0.0000987800000000, 0.0026062400000000 ] - [ -0.0014473200000000, 0.0002151600000000, 0.0008718500000000 ] - [ -0.0006368600000000, 0.0013188000000000, -0.0016145700000000 ] - [ -0.0003083600000000, 0.0002387800000000, -0.0001566700000000 ] - [ -0.0012621400000000, -0.0008243000000000, 0.0111129700000000 ] - [ -0.0016525700000000, 0.0000392000000000, -0.0000903300000000 ] - [ 0.0002211700000000, -0.0003035900000000, -0.0008627600000000 ] - [ 0.0005512800000000, -0.0001373600000000, -0.0005027000000000 ] - [ 0.0020251600000000, -0.0036247200000000, 0.0098379500000000 ] - [ 0.0003152900000000, 0.0003702300000000, 0.0006495400000000 ] - [ -0.0004215800000000, -0.0012604300000000, -0.0031002500000000 ] - [ -0.0008354000000000, 0.0003496100000000, -0.0006422000000000 ] - [ -0.0003276800000000, -0.0003799700000000, 0.0006088200000000 ] - [ -0.0007008600000000, -0.0004439900000000, 0.0000882900000000 ] - [ 0.0015570000000000, -0.0016609400000000, -0.0051389300000000 ] - [ 0.0002905000000000, -0.0004273600000000, -0.0001968700000000 ] - [ 0.0012677900000000, 0.0001047200000000, 0.0018349400000000 ] - [ -0.0011519500000000, 0.0004842900000000, 0.0014069900000000 ] - [ -0.0000262200000000, -0.0012557000000000, -0.0020281800000000 ] - [ 0.0001606700000000, 0.0001676300000000, -0.0000219800000000 ] - [ 0.0002598200000000, -0.0007819000000000, 0.0021757000000000 ] - [ -0.0001827600000000, -0.0002511600000000, 0.0006518900000000 ] - [ -0.0012010500000000, -0.0001701200000000, -0.0029034700000000 ] - [ 0.0003067100000000, -0.0002867600000000, -0.0018392000000000 ] - [ 0.0003872300000000, 0.0004069100000000, -0.0030279100000000 ] - [ -0.0005888300000000, -0.0000559100000000, -0.0012875900000000 ] - [ 0.0185462000000000, -0.0049254900000000, 0.0336537900000000 ] - [ 0.0007971700000000, 0.0000950200000000, 0.0010648300000000 ] - [ 0.0010650100000000, 0.0023410200000000, -0.0021338500000000 ] - [ -0.0002705100000000, 0.0002068800000000, 0.0002705500000000 ] - [ 0.0031958000000000, 0.0126047300000000, 0.0258522400000000 ] - [ -0.0006403600000000, 0.0000306500000000, -0.0000301700000000 ]- atom: 9 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ 0.0006906300000000, -0.0001407000000000, -0.0017470800000000 ] - [ -0.0001059300000000, -0.0001328400000000, -0.0010390800000000 ] - [ -0.0028875700000000, -0.0018873000000000, 0.0066138800000000 ] - [ -0.0003646700000000, 0.0000354400000000, 0.0008877500000000 ] - [ 0.0001637600000000, 0.0004058900000000, -0.0005353300000000 ] - [ -0.0002769000000000, 0.0002658000000000, 0.0002568100000000 ] - [ -0.0026164200000000, 0.0006563100000000, 0.0032908600000000 ] - [ 0.0015616900000000, 0.0001174100000000, 0.0012796700000000 ] - [ 0.0259834500000000, 0.0007627900000000, 0.0949090100000000 ] - [ 0.0002236800000000, 0.0003816100000000, 0.0005813200000000 ] - [ -0.0004050300000000, 0.0001425800000000, -0.0012857600000000 ] - [ -0.0004682800000000, 0.0003529300000000, -0.0005342200000000 ] - [ 0.0005794600000000, 0.0025944400000000, 0.0088350200000000 ] - [ -0.0005089300000000, -0.0000960400000000, 0.0000456900000000 ] - [ 0.0002913000000000, -0.0005666500000000, -0.0015087300000000 ] - [ 0.0001564000000000, -0.0002670800000000, 0.0000453100000000 ] - [ -0.0002389100000000, 0.0011079800000000, -0.0025875800000000 ] - [ -0.0000283700000000, 0.0003704500000000, -0.0001639400000000 ] - [ -0.0000014900000000, 0.0003190600000000, 0.0001100400000000 ] - [ -0.0002689700000000, -0.0000514500000000, -0.0001526500000000 ] - [ 0.0001740300000000, 0.0000160800000000, -0.0014893200000000 ] - [ 0.0002564900000000, -0.0001097000000000, -0.0014169000000000 ] - [ 0.0012266600000000, -0.0023467600000000, 0.0033929700000000 ] - [ -0.0004866000000000, -0.0004330800000000, 0.0008971800000000 ] - [ -0.0054517700000000, -0.0017908400000000, -0.0051936200000000 ] - [ 0.0003321500000000, -0.0006536000000000, 0.0008653100000000 ] - [ 0.0006797100000000, -0.0000182600000000, -0.0003254500000000 ] - [ -0.0004216700000000, -0.0005393500000000, -0.0008055200000000 ] - [ 0.0012782200000000, 0.0010749400000000, -0.0040502300000000 ] - [ 0.0002509500000000, -0.0006829400000000, 0.0003576600000000 ] - [ -0.0019444900000000, 0.0016848400000000, -0.0020449400000000 ] - [ 0.0008043300000000, 0.0006564600000000, -0.0009279100000000 ] - [ 0.0018460900000000, -0.0012463800000000, -0.0020800100000000 ] - [ -0.0003940000000000, 0.0005476300000000, -0.0009353000000000 ] - [ -0.0003037500000000, 0.0008485600000000, 0.0007390000000000 ] - [ 0.0002581600000000, 0.0010055700000000, 0.0009295600000000 ] - [ 0.0005768700000000, -0.0011283900000000, 0.0009118000000000 ] - [ -0.0005717600000000, -0.0008225500000000, 0.0005274700000000 ] - [ -0.0034481100000000, 0.0023804600000000, -0.0033756800000000 ] - [ 0.0004550700000000, -0.0002829500000000, -0.0003995700000000 ] - [ 0.0008045200000000, -0.0026037100000000, -0.0005399700000000 ] - [ 0.0005024400000000, -0.0007215500000000, 0.0000550200000000 ] - [ 0.0018580700000000, 0.0027331300000000, -0.0035366300000000 ] - [ -0.0010751700000000, -0.0004412800000000, 0.0000664900000000 ] - [ -0.0060101700000000, -0.0063861700000000, -0.0056155200000000 ] - [ -0.0005120500000000, 0.0006193200000000, 0.0000114700000000 ] - [ 0.0009433200000000, 0.0030808200000000, -0.0004191900000000 ] - [ 0.0004392100000000, 0.0007963700000000, -0.0001236600000000 ] - [ -0.0018455100000000, -0.0012851200000000, 0.0006344000000000 ] - [ 0.0009958200000000, -0.0005496200000000, 0.0005072300000000 ] - [ 0.0026924600000000, 0.0015420600000000, -0.0008997100000000 ] - [ -0.0008824400000000, 0.0001519400000000, -0.0006575500000000 ] - [ -0.0008154900000000, 0.0001627600000000, -0.0004183300000000 ] - [ 0.0001427100000000, 0.0001539400000000, -0.0003080900000000 ] - [ 0.0033377100000000, 0.0009117600000000, 0.0005353200000000 ] - [ -0.0027097400000000, 0.0005133900000000, 0.0002469100000000 ] - [ 0.0032412600000000, 0.0116532600000000, -0.0158068300000000 ] - [ 0.0001415000000000, -0.0005894500000000, -0.0001548000000000 ] - [ -0.0001296500000000, -0.0024048700000000, -0.0002040500000000 ] - [ -0.0001950500000000, -0.0007177600000000, 0.0000172100000000 ] - [ 0.0082076900000000, -0.0024949900000000, -0.0096598300000000 ] - [ -0.0008308600000000, 0.0004362900000000, 0.0003185400000000 ] - [ 0.0004564700000000, 0.0012712600000000, -0.0008851700000000 ] - [ 0.0001339600000000, 0.0006970500000000, -0.0000438000000000 ] - [ 0.0006320300000000, 0.0012544300000000, 0.0017458600000000 ] - [ 0.0002939300000000, 0.0007117400000000, 0.0008988200000000 ] - [ -0.0000455300000000, 0.0016515400000000, -0.0046042400000000 ] - [ -0.0007236000000000, 0.0007307100000000, -0.0012676100000000 ] - [ -0.0002831600000000, -0.0022606800000000, 0.0023675200000000 ] - [ -0.0004320400000000, -0.0007345900000000, -0.0002872500000000 ] - [ 0.0003097500000000, -0.0001938200000000, 0.0008143900000000 ] - [ -0.0005173700000000, 0.0001810500000000, 0.0004919300000000 ] - [ 0.0055118500000000, -0.0037903100000000, 0.0041268400000000 ] - [ -0.0011195300000000, -0.0003841900000000, -0.0002415700000000 ] - [ -0.0009727900000000, -0.0001334800000000, -0.0002604600000000 ] - [ 0.0001118000000000, 0.0000363200000000, 0.0003728700000000 ] - [ 0.0005276100000000, -0.0014977100000000, 0.0016845700000000 ] - [ -0.0022857800000000, -0.0008164000000000, 0.0015181000000000 ] - [ -0.0010695500000000, 0.0025888100000000, -0.0012194800000000 ] - [ 0.0018901600000000, 0.0001361900000000, -0.0007969900000000 ] - [ -0.0064452500000000, -0.0050537600000000, 0.0061803700000000 ] - [ 0.0009606200000000, -0.0000448800000000, 0.0004536000000000 ] - [ 0.0012801300000000, 0.0003527700000000, -0.0005626100000000 ] - [ 0.0008126500000000, -0.0000628800000000, -0.0002162400000000 ] - [ -0.0034640700000000, -0.0086043700000000, 0.0038878000000000 ] - [ 0.0012146000000000, -0.0001285800000000, 0.0004522600000000 ] - [ 0.0022125900000000, 0.0075408900000000, -0.0034991200000000 ] - [ -0.0012799300000000, 0.0001250400000000, -0.0003336100000000 ] - [ -0.0013553700000000, 0.0002455600000000, -0.0026637700000000 ] - [ 0.0023605600000000, 0.0001187700000000, -0.0009507100000000 ] - [ -0.0002659500000000, -0.0009647600000000, 0.0017063800000000 ] - [ -0.0005920500000000, 0.0001071100000000, 0.0002499000000000 ] - [ 0.0006195900000000, 0.0005289900000000, -0.0111747100000000 ] - [ 0.0007368100000000, -0.0003828100000000, 0.0001730200000000 ] - [ 0.0006837700000000, -0.0000362300000000, 0.0007673600000000 ] - [ 0.0003492600000000, -0.0002069800000000, 0.0004094400000000 ] - [ -0.0009713500000000, 0.0044170100000000, -0.0093781900000000 ] - [ 0.0007250900000000, 0.0004835600000000, -0.0001711400000000 ] - [ -0.0006143900000000, 0.0021011000000000, 0.0026247700000000 ] - [ -0.0002103000000000, 0.0005032100000000, 0.0001663700000000 ] - [ -0.0007125200000000, -0.0004451500000000, -0.0011059700000000 ] - [ -0.0003419800000000, -0.0004087700000000, -0.0005681500000000 ] - [ -0.0005191500000000, 0.0008184000000000, 0.0056327000000000 ] - [ 0.0007510000000000, -0.0004268000000000, 0.0006716100000000 ] - [ -0.0012908600000000, 0.0003667600000000, -0.0025451100000000 ] - [ 0.0011316200000000, 0.0000030700000000, -0.0021253500000000 ] - [ 0.0000407100000000, 0.0017255700000000, 0.0027572600000000 ] - [ -0.0001420100000000, 0.0003146600000000, 0.0007496100000000 ] - [ -0.0002383200000000, 0.0003123100000000, -0.0014695000000000 ] - [ 0.0001968700000000, -0.0002299200000000, 0.0000711300000000 ] - [ 0.0011952500000000, -0.0003158100000000, 0.0021765400000000 ] - [ -0.0003331800000000, -0.0001953900000000, 0.0011106700000000 ] - [ -0.0009663000000000, -0.0004883800000000, 0.0015391800000000 ] - [ 0.0000073500000000, -0.0000261200000000, -0.0002007100000000 ] - [ -0.0194331500000000, 0.0053420600000000, -0.0331469900000000 ] - [ -0.0002240700000000, -0.0001796600000000, 0.0004173200000000 ] - [ -0.0004864100000000, -0.0022397200000000, 0.0036259200000000 ] - [ 0.0008461000000000, -0.0001214300000000, 0.0012166100000000 ] - [ -0.0036076600000000, -0.0114347900000000, -0.0268175200000000 ] - [ 0.0000554300000000, 0.0000515100000000, -0.0014506900000000 ]- atom: 17 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0020164100000000, 0.0001262700000000, -0.0005766500000000 ] - [ 0.0039380600000000, -0.0090624300000000, -0.0007692600000000 ] - [ -0.0017913500000000, -0.0007060500000000, 0.0016085200000000 ] - [ 0.0008805300000000, -0.0001502400000000, 0.0004090500000000 ] - [ -0.0026080800000000, 0.0005149400000000, 0.0005323200000000 ] - [ 0.0011783200000000, 0.0001433100000000, 0.0004276300000000 ] - [ 0.0011927900000000, 0.0001410400000000, -0.0006150600000000 ] - [ -0.0006755900000000, 0.0002625700000000, -0.0014496200000000 ] - [ -0.0000325900000000, 0.0003243500000000, 0.0004199000000000 ] - [ 0.0011746200000000, 0.0004075700000000, 0.0002197100000000 ] - [ 0.0005902300000000, 0.0014231500000000, -0.0001515800000000 ] - [ 0.0007671200000000, -0.0006143300000000, 0.0001125200000000 ] - [ -0.0000798400000000, -0.0005204700000000, -0.0003423200000000 ] - [ -0.0000028000000000, 0.0000355300000000, -0.0004219000000000 ] - [ 0.0033156600000000, 0.0075970800000000, -0.0009962700000000 ] - [ 0.0020180400000000, -0.0008883900000000, 0.0006974500000000 ] - [ -0.0815989700000000, -0.0009221400000000, 0.0298197800000000 ] - [ 0.0014218500000000, 0.0002185400000000, 0.0004755800000000 ] - [ 0.0008177800000000, 0.0003158300000000, -0.0003931600000000 ] - [ -0.0008145400000000, 0.0002252800000000, -0.0007754600000000 ] - [ 0.0012052200000000, -0.0004713900000000, -0.0006453700000000 ] - [ -0.0010284700000000, 0.0012785400000000, -0.0000036800000000 ] - [ -0.0014652400000000, -0.0000911100000000, 0.0005701400000000 ] - [ 0.0008619600000000, -0.0002658300000000, 0.0005186000000000 ] - [ -0.0063093800000000, -0.0072085500000000, 0.0087890500000000 ] - [ 0.0013983600000000, -0.0008642000000000, 0.0010210600000000 ] - [ 0.0008453600000000, 0.0000335000000000, -0.0003054200000000 ] - [ -0.0010124400000000, -0.0015732300000000, -0.0019783900000000 ] - [ 0.0002744200000000, -0.0040856500000000, -0.0005867400000000 ] - [ 0.0014282200000000, -0.0002982600000000, 0.0009307300000000 ] - [ 0.0010000800000000, -0.0000845300000000, -0.0007629100000000 ] - [ -0.0003101300000000, 0.0025935600000000, 0.0006964400000000 ] - [ -0.0053821200000000, 0.0013232600000000, -0.0025776700000000 ] - [ 0.0014298300000000, 0.0003637200000000, -0.0004785900000000 ] - [ 0.0006286300000000, 0.0005787800000000, 0.0005630200000000 ] - [ -0.0009844500000000, 0.0007364200000000, 0.0012972000000000 ] - [ 0.0008394000000000, -0.0007464500000000, 0.0009217900000000 ] - [ -0.0012911600000000, -0.0000338400000000, 0.0004391900000000 ] - [ -0.0112475300000000, 0.0012855200000000, 0.0038337500000000 ] - [ 0.0012599900000000, -0.0004063500000000, -0.0005943200000000 ] - [ 0.0003096000000000, -0.0012969600000000, 0.0002485600000000 ] - [ 0.0012909400000000, -0.0002770200000000, -0.0001998500000000 ] - [ 0.0006831200000000, -0.0001335400000000, 0.0012520000000000 ] - [ 0.0012812800000000, -0.0025905000000000, -0.0009847900000000 ] - [ 0.0012888300000000, 0.0016345800000000, -0.0022791000000000 ] - [ 0.0011203200000000, 0.0000837300000000, 0.0022902600000000 ] - [ 0.0000955900000000, -0.0000069100000000, -0.0007804000000000 ] - [ 0.0011330700000000, 0.0007231300000000, 0.0001379400000000 ] - [ 0.0018715100000000, 0.0000058600000000, 0.0003198800000000 ] - [ -0.0020191700000000, -0.0008609700000000, 0.0017460200000000 ] - [ -0.0032546000000000, -0.0002281800000000, -0.0006122800000000 ] - [ 0.0015207500000000, -0.0001374900000000, -0.0004170500000000 ] - [ -0.0021839800000000, 0.0003568100000000, -0.0002679300000000 ] - [ 0.0013765500000000, 0.0001464700000000, -0.0004644000000000 ] - [ 0.0025835400000000, 0.0000811900000000, 0.0010504600000000 ] - [ 0.0100293900000000, 0.0051512400000000, -0.0195497000000000 ] - [ -0.0000719900000000, -0.0022477500000000, -0.0020804400000000 ] - [ 0.0011748200000000, -0.0001321000000000, -0.0000703200000000 ] - [ 0.0003765900000000, -0.0003294100000000, -0.0007188500000000 ] - [ -0.0000116500000000, -0.0011449100000000, 0.0003705600000000 ] - [ 0.0002432500000000, -0.0000496400000000, 0.0012228500000000 ] - [ 0.0027054300000000, 0.0029376000000000, -0.0015734400000000 ] - [ -0.0004673300000000, 0.0013936500000000, 0.0008142300000000 ] - [ 0.0011291800000000, 0.0000931700000000, -0.0004960300000000 ] - [ -0.0001436100000000, 0.0007686900000000, 0.0009675400000000 ] - [ 0.0009464400000000, 0.0006288800000000, 0.0005418300000000 ] - [ 0.0034501200000000, 0.0001266300000000, 0.0007379300000000 ] - [ 0.0043243200000000, 0.0013864300000000, -0.0011481500000000 ] - [ -0.0000857200000000, -0.0003999900000000, -0.0011253100000000 ] - [ -0.0004709200000000, -0.0010578100000000, -0.0002173800000000 ] - [ -0.0014959900000000, 0.0001941800000000, -0.0000012500000000 ] - [ 0.0009125800000000, 0.0007215000000000, 0.0010310700000000 ] - [ 0.0455605200000000, 0.0054670800000000, -0.0240701100000000 ] - [ -0.0019889100000000, 0.0000937700000000, -0.0005775100000000 ] - [ -0.0020573300000000, -0.0002860500000000, 0.0004475800000000 ] - [ 0.0017801100000000, 0.0004188600000000, 0.0009800000000000 ] - [ -0.0022982400000000, 0.0005240900000000, 0.0009330300000000 ] - [ 0.0025646600000000, -0.0014482600000000, -0.0005940400000000 ] - [ 0.0038664100000000, -0.0003306000000000, -0.0006321800000000 ] - [ -0.0012667600000000, 0.0001140900000000, -0.0006340000000000 ] - [ -0.0042910900000000, 0.0005163000000000, -0.0032950300000000 ] - [ -0.0109142000000000, 0.0002584100000000, 0.0013261500000000 ] - [ 0.0023728300000000, -0.0000987400000000, -0.0003723600000000 ] - [ -0.0005433000000000, 0.0001133600000000, 0.0003168400000000 ] - [ 0.0033736900000000, 0.0016864600000000, 0.0026302800000000 ] - [ -0.0007340100000000, -0.0004327800000000, -0.0003692700000000 ] - [ -0.0022015700000000, -0.0012266500000000, 0.0005659700000000 ] - [ -0.0004573900000000, 0.0017860600000000, -0.0011674700000000 ] - [ -0.0007923700000000, 0.0004952400000000, -0.0003179600000000 ] - [ 0.0026015100000000, -0.0023312600000000, 0.0015123800000000 ] - [ 0.0085831300000000, -0.0008106900000000, 0.0000057000000000 ] - [ -0.0022065400000000, 0.0000661700000000, 0.0000488000000000 ] - [ 0.0018933500000000, -0.0003567400000000, 0.0002424800000000 ] - [ -0.0018931000000000, -0.0000869300000000, 0.0000096200000000 ] - [ -0.0009376700000000, -0.0004923300000000, 0.0001554700000000 ] - [ 0.0020418900000000, 0.0011584500000000, -0.0009474500000000 ] - [ 0.0010627200000000, 0.0000164000000000, -0.0007174100000000 ] - [ -0.0008479200000000, 0.0006807500000000, 0.0005798200000000 ] - [ -0.0017652100000000, 0.0014861400000000, -0.0007189100000000 ] - [ -0.0010722800000000, -0.0011569500000000, -0.0001839300000000 ] - [ -0.0008966700000000, -0.0004985000000000, -0.0000329400000000 ] - [ -0.0005816700000000, -0.0003919100000000, -0.0004064700000000 ] - [ 0.0143162400000000, -0.0005804800000000, -0.0025252600000000 ] - [ -0.0023341000000000, -0.0002485000000000, -0.0005147900000000 ] - [ -0.0013479100000000, 0.0001108500000000, -0.0006913000000000 ] - [ 0.0021803500000000, 0.0019751200000000, 0.0012262900000000 ] - [ 0.0034932100000000, 0.0006215600000000, 0.0007022800000000 ] - [ -0.0014170700000000, 0.0002041700000000, 0.0003746600000000 ] - [ 0.0014962500000000, -0.0000925400000000, 0.0003420200000000 ] - [ -0.0010444700000000, -0.0002660800000000, 0.0003712500000000 ] - [ -0.0025145100000000, -0.0004801900000000, 0.0001628800000000 ] - [ 0.0173400700000000, -0.0016414900000000, 0.0063228000000000 ] - [ 0.0016959400000000, -0.0024055100000000, 0.0012995800000000 ] - [ -0.0023148800000000, 0.0005334500000000, -0.0015092800000000 ] - [ -0.0010896800000000, 0.0006223200000000, 0.0021403000000000 ] - [ -0.0007105500000000, -0.0009343800000000, -0.0004893000000000 ] - [ -0.0025169700000000, -0.0019695100000000, -0.0012847400000000 ] - [ -0.0029427800000000, 0.0027246100000000, 0.0027109700000000 ] - [ -0.0008631900000000, 0.0011741300000000, -0.0031580400000000 ] - [ -0.0028710000000000, -0.0007566300000000, 0.0001791300000000 ]- atom: 17 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0016242700000000, -0.0006217800000000, -0.0004261300000000 ] - [ -0.0035443300000000, 0.0085065800000000, -0.0002397900000000 ] - [ 0.0013894900000000, 0.0002049200000000, -0.0005798600000000 ] - [ -0.0012753900000000, -0.0003403800000000, 0.0005932900000000 ] - [ 0.0022213200000000, -0.0000187700000000, 0.0004536500000000 ] - [ -0.0015731000000000, 0.0003476700000000, 0.0005733000000000 ] - [ -0.0007944200000000, 0.0003518500000000, -0.0003835800000000 ] - [ 0.0010592500000000, 0.0002247500000000, 0.0004598300000000 ] - [ 0.0006893200000000, 0.0002770000000000, 0.0001883700000000 ] - [ -0.0005373300000000, 0.0001966000000000, 0.0003687500000000 ] - [ -0.0012297700000000, -0.0008268000000000, -0.0004391100000000 ] - [ -0.0014077300000000, 0.0012161000000000, -0.0007013300000000 ] - [ -0.0005510200000000, -0.0000832900000000, -0.0002385400000000 ] - [ -0.0006396200000000, -0.0006390900000000, -0.0001630000000000 ] - [ -0.0026845000000000, -0.0082727700000000, 0.0015872900000000 ] - [ -0.0013797300000000, 0.0002830200000000, -0.0001127900000000 ] - [ 0.0817621100000000, 0.0018125300000000, -0.0313946000000000 ] - [ -0.0016614300000000, 0.0002860100000000, 0.0005409700000000 ] - [ -0.0005776600000000, 0.0001893400000000, -0.0006239300000000 ] - [ 0.0010470200000000, 0.0002800300000000, -0.0002383000000000 ] - [ -0.0009665900000000, -0.0000304700000000, -0.0003744500000000 ] - [ 0.0012571500000000, -0.0017819700000000, -0.0010208300000000 ] - [ 0.0012212900000000, -0.0004081900000000, 0.0004785300000000 ] - [ -0.0011001400000000, -0.0002399100000000, 0.0004995400000000 ] - [ 0.0063639900000000, 0.0061674200000000, -0.0072561500000000 ] - [ -0.0014445900000000, -0.0001146700000000, 0.0003939500000000 ] - [ -0.0007974200000000, -0.0010138600000000, -0.0011129700000000 ] - [ 0.0010474100000000, 0.0005975400000000, 0.0005559900000000 ] - [ 0.0004973000000000, 0.0027016600000000, 0.0019093800000000 ] - [ -0.0006691900000000, -0.0011011800000000, 0.0003995600000000 ] - [ -0.0009567600000000, 0.0010674500000000, -0.0006504200000000 ] - [ 0.0003541300000000, -0.0015977800000000, -0.0021040100000000 ] - [ 0.0055535000000000, -0.0002143500000000, 0.0012152000000000 ] - [ -0.0012678500000000, 0.0007421900000000, -0.0008783100000000 ] - [ -0.0007899300000000, 0.0005286100000000, 0.0007984400000000 ] - [ 0.0008189900000000, 0.0003737100000000, 0.0000632700000000 ] - [ -0.0009986300000000, -0.0003620400000000, 0.0004374300000000 ] - [ 0.0011202900000000, -0.0010738700000000, 0.0009176700000000 ] - [ 0.0114392800000000, -0.0023411300000000, -0.0049935700000000 ] - [ -0.0010988300000000, -0.0007026600000000, -0.0007677800000000 ] - [ 0.0008751000000000, -0.0001229400000000, -0.0003511100000000 ] - [ -0.0001184600000000, -0.0011308400000000, 0.0000982900000000 ] - [ -0.0018568200000000, -0.0012818800000000, -0.0011671600000000 ] - [ -0.0024645900000000, 0.0011825500000000, 0.0010795900000000 ] - [ -0.0024824300000000, -0.0002369700000000, 0.0024118400000000 ] - [ -0.0022785000000000, 0.0013191600000000, -0.0021665000000000 ] - [ 0.0010810800000000, 0.0014203600000000, 0.0006794700000000 ] - [ 0.0000405400000000, 0.0006863400000000, -0.0002381500000000 ] - [ -0.0015552000000000, -0.0003614900000000, 0.0005793300000000 ] - [ 0.0023297500000000, 0.0004973700000000, -0.0008357300000000 ] - [ 0.0029376300000000, -0.0001217100000000, -0.0002832800000000 ] - [ -0.0018389300000000, -0.0002127500000000, -0.0004792700000000 ] - [ 0.0018616500000000, 0.0000029300000000, -0.0006234900000000 ] - [ -0.0016958700000000, 0.0002049700000000, -0.0004332600000000 ] - [ -0.0022670000000000, 0.0002723000000000, -0.0001611100000000 ] - [ -0.0096780500000000, -0.0047255700000000, 0.0202281800000000 ] - [ 0.0005793200000000, 0.0009978600000000, 0.0019059800000000 ] - [ -0.0006682100000000, -0.0011367200000000, -0.0001238900000000 ] - [ -0.0008826300000000, -0.0009463100000000, 0.0009196000000000 ] - [ -0.0004942500000000, -0.0001289300000000, -0.0001730100000000 ] - [ -0.0007280200000000, 0.0013332100000000, -0.0010443600000000 ] - [ -0.0032203900000000, -0.0016661600000000, 0.0017650300000000 ] - [ 0.0009889700000000, -0.0001220700000000, -0.0010189200000000 ] - [ -0.0006267300000000, 0.0011777700000000, 0.0002994500000000 ] - [ 0.0009058900000000, 0.0006342900000000, 0.0003687900000000 ] - [ -0.0001887700000000, 0.0007732400000000, 0.0007895500000000 ] - [ -0.0042415200000000, 0.0012847700000000, -0.0020853400000000 ] - [ -0.0050575200000000, 0.0000231400000000, -0.0002029500000000 ] - [ -0.0006640500000000, -0.0010048300000000, -0.0001919200000000 ] - [ -0.0002944600000000, -0.0003451100000000, -0.0011020300000000 ] - [ 0.0014516300000000, 0.0007823600000000, 0.0014240200000000 ] - [ -0.0009577700000000, 0.0002578400000000, 0.0003864200000000 ] - [ -0.0449191800000000, -0.0058651800000000, 0.0238963800000000 ] - [ 0.0030773800000000, -0.0003003200000000, -0.0007078900000000 ] - [ 0.0009693100000000, 0.0000789400000000, 0.0008410300000000 ] - [ -0.0028539700000000, -0.0006309600000000, 0.0003045800000000 ] - [ 0.0012134200000000, -0.0003195600000000, 0.0003564700000000 ] - [ -0.0036406800000000, 0.0016441400000000, 0.0018894500000000 ] - [ -0.0027654200000000, 0.0005389900000000, -0.0006828500000000 ] - [ 0.0023531300000000, 0.0000956500000000, -0.0006575600000000 ] - [ 0.0026663900000000, -0.0005378800000000, 0.0032009600000000 ] - [ 0.0092978400000000, -0.0002735300000000, -0.0014199300000000 ] - [ -0.0007395300000000, 0.0000925500000000, 0.0005042700000000 ] - [ 0.0021848400000000, -0.0001227700000000, -0.0001792400000000 ] - [ -0.0017470600000000, -0.0016941000000000, -0.0024889600000000 ] - [ 0.0023735500000000, 0.0004396300000000, 0.0005056900000000 ] - [ 0.0005644800000000, 0.0012526300000000, -0.0007174400000000 ] - [ -0.0011839100000000, -0.0017597700000000, 0.0010137300000000 ] - [ 0.0016899500000000, -0.0001502400000000, 0.0002257100000000 ] - [ -0.0016789600000000, 0.0026806200000000, -0.0016134200000000 ] - [ -0.0095038800000000, 0.0010618700000000, 0.0001237500000000 ] - [ 0.0013066000000000, 0.0002819600000000, 0.0000460900000000 ] - [ -0.0027941100000000, 0.0000094800000000, -0.0001722000000000 ] - [ 0.0009906500000000, -0.0002597300000000, 0.0000797600000000 ] - [ 0.0018396400000000, 0.0001471100000000, -0.0002484100000000 ] - [ -0.0011353900000000, -0.0015005700000000, 0.0008576300000000 ] - [ -0.0000666800000000, 0.0008242200000000, 0.0011687700000000 ] - [ 0.0018939000000000, 0.0001743300000000, -0.0001049000000000 ] - [ 0.0007163300000000, -0.0006396000000000, 0.0002516800000000 ] - [ 0.0000351600000000, 0.0020050300000000, -0.0002869500000000 ] - [ -0.0001523200000000, -0.0003550000000000, -0.0004490800000000 ] - [ -0.0004575000000000, -0.0004613600000000, -0.0000732400000000 ] - [ -0.0140530900000000, -0.0002595600000000, 0.0036194800000000 ] - [ 0.0033682400000000, -0.0006041200000000, 0.0009903200000000 ] - [ 0.0013270900000000, 0.0003742600000000, -0.0000349500000000 ] - [ -0.0021558600000000, -0.0014960500000000, -0.0019778200000000 ] - [ -0.0034727900000000, -0.0001067100000000, 0.0000438400000000 ] - [ 0.0014351000000000, 0.0002776100000000, 0.0003544500000000 ] - [ -0.0014757800000000, -0.0003868200000000, 0.0003755800000000 ] - [ 0.0010634400000000, -0.0002179900000000, 0.0003543700000000 ] - [ 0.0025088900000000, 0.0000002400000000, -0.0008929900000000 ] - [ -0.0166729800000000, 0.0010328200000000, -0.0063270800000000 ] - [ -0.0022908500000000, 0.0023361200000000, -0.0027868900000000 ] - [ 0.0017370300000000, -0.0006147900000000, 0.0000245100000000 ] - [ 0.0016636300000000, -0.0007129700000000, -0.0006858900000000 ] - [ 0.0012933800000000, 0.0008441100000000, 0.0019571500000000 ] - [ 0.0030920600000000, 0.0020697500000000, 0.0027907600000000 ] - [ 0.0035272600000000, -0.0026364300000000, -0.0012117500000000 ] - [ 0.0002118700000000, -0.0010705700000000, 0.0016229200000000 ] - [ 0.0022963900000000, 0.0008383400000000, -0.0016688900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009810400000000, -0.0003979400000000, -0.0005693400000000 ] - [ -0.0083164200000000, 0.0046983900000000, -0.0012185300000000 ] - [ 0.0006308700000000, 0.0010514400000000, -0.0024419500000000 ] - [ -0.0002344600000000, -0.0001853500000000, 0.0004466600000000 ] - [ 0.0000559200000000, 0.0042262200000000, -0.0006113300000000 ] - [ -0.0003457600000000, 0.0005082700000000, 0.0005343700000000 ] - [ -0.0000351000000000, -0.0000340600000000, -0.0005185300000000 ] - [ 0.0002975200000000, -0.0006199800000000, -0.0009066500000000 ] - [ -0.0001114700000000, -0.0012768000000000, -0.0005727100000000 ] - [ 0.0003917700000000, 0.0000467800000000, 0.0001809100000000 ] - [ 0.0003753200000000, 0.0023147000000000, -0.0002116000000000 ] - [ -0.0011164600000000, 0.0019687100000000, -0.0006143200000000 ] - [ -0.0007968600000000, -0.0001847200000000, -0.0005749100000000 ] - [ -0.0000016700000000, -0.0001917200000000, -0.0004312300000000 ] - [ 0.0064151400000000, 0.0038376000000000, -0.0016680800000000 ] - [ -0.0006544700000000, -0.0004558400000000, 0.0000946900000000 ] - [ -0.0014164100000000, -0.0617043800000000, 0.0611553800000000 ] - [ -0.0001604000000000, 0.0000122500000000, 0.0006100700000000 ] - [ 0.0000613400000000, 0.0004952700000000, -0.0004764700000000 ] - [ 0.0001555000000000, 0.0011567300000000, -0.0001757100000000 ] - [ -0.0000953200000000, -0.0000097300000000, -0.0004364800000000 ] - [ 0.0016622400000000, 0.0022588200000000, 0.0008598000000000 ] - [ -0.0002838200000000, -0.0000668800000000, 0.0010125300000000 ] - [ -0.0001134800000000, -0.0003566400000000, 0.0004627600000000 ] - [ -0.0085474500000000, 0.0091591400000000, -0.0230613900000000 ] - [ 0.0001001800000000, -0.0005760700000000, 0.0007832700000000 ] - [ 0.0003607500000000, -0.0002326400000000, -0.0004849800000000 ] - [ -0.0003382000000000, 0.0008082500000000, 0.0003642100000000 ] - [ -0.0027467700000000, 0.0029872400000000, 0.0030244700000000 ] - [ 0.0005240200000000, -0.0005481000000000, 0.0007437000000000 ] - [ -0.0002439700000000, 0.0004694000000000, -0.0007887700000000 ] - [ 0.0007879300000000, -0.0003750500000000, -0.0000205400000000 ] - [ 0.0005527400000000, -0.0012838200000000, -0.0045820000000000 ] - [ 0.0000775600000000, 0.0003478000000000, -0.0006965700000000 ] - [ -0.0001388900000000, 0.0008202200000000, 0.0006385000000000 ] - [ 0.0002571600000000, 0.0015952600000000, 0.0011333600000000 ] - [ -0.0003786200000000, -0.0001092900000000, 0.0005911600000000 ] - [ 0.0003838900000000, 0.0011678100000000, 0.0001729600000000 ] - [ 0.0007396300000000, -0.0029372300000000, 0.0181310100000000 ] - [ 0.0000165100000000, -0.0008004500000000, -0.0006705800000000 ] - [ 0.0001205300000000, 0.0022588300000000, -0.0002203300000000 ] - [ 0.0007320600000000, -0.0003083500000000, -0.0000367700000000 ] - [ 0.0001076600000000, -0.0019899900000000, 0.0003093200000000 ] - [ -0.0001098700000000, -0.0026189100000000, 0.0005496100000000 ] - [ -0.0007241800000000, -0.0000365900000000, -0.0000398800000000 ] - [ -0.0009097300000000, 0.0001843500000000, -0.0003459400000000 ] - [ 0.0003747900000000, 0.0024028600000000, 0.0005403400000000 ] - [ 0.0005684000000000, 0.0010516000000000, -0.0001703800000000 ] - [ 0.0002998300000000, -0.0003407900000000, 0.0004237200000000 ] - [ -0.0003798400000000, -0.0000969600000000, 0.0000483400000000 ] - [ 0.0000767700000000, 0.0004803800000000, 0.0005563800000000 ] - [ -0.0002316800000000, -0.0000953400000000, -0.0004170400000000 ] - [ -0.0001957600000000, 0.0026389900000000, 0.0007991800000000 ] - [ -0.0002024800000000, 0.0004073400000000, -0.0003889300000000 ] - [ -0.0002683200000000, -0.0003151900000000, 0.0004554900000000 ] - [ 0.0070626100000000, -0.0053135900000000, -0.0060998000000000 ] - [ -0.0003217700000000, -0.0014698400000000, 0.0006472700000000 ] - [ 0.0004108100000000, -0.0006765200000000, -0.0001462200000000 ] - [ 0.0002354500000000, -0.0004571300000000, -0.0006041400000000 ] - [ -0.0005200500000000, -0.0004070100000000, -0.0001874400000000 ] - [ -0.0022851900000000, -0.0001488500000000, 0.0004661800000000 ] - [ 0.0008056400000000, 0.0009757300000000, -0.0000699700000000 ] - [ 0.0012878700000000, 0.0023550100000000, 0.0011004100000000 ] - [ 0.0000255700000000, 0.0007297800000000, 0.0001007900000000 ] - [ 0.0004628300000000, 0.0016888500000000, 0.0009897900000000 ] - [ 0.0003558200000000, 0.0008718300000000, 0.0007053500000000 ] - [ -0.0009227400000000, -0.0003072500000000, -0.0004459200000000 ] - [ 0.0007895800000000, -0.0005220100000000, 0.0000486900000000 ] - [ 0.0000029900000000, -0.0008242200000000, -0.0004650000000000 ] - [ -0.0007041900000000, -0.0007184300000000, -0.0006909700000000 ] - [ -0.0000477900000000, 0.0012098000000000, 0.0001917500000000 ] - [ -0.0001256300000000, 0.0005011900000000, 0.0005781600000000 ] - [ 0.0067079800000000, 0.0485275200000000, -0.0441512900000000 ] - [ 0.0007197400000000, 0.0002352100000000, -0.0007815100000000 ] - [ -0.0005724600000000, -0.0007936700000000, 0.0005679600000000 ] - [ 0.0001687400000000, -0.0027871300000000, 0.0003280900000000 ] - [ -0.0003143100000000, -0.0001589500000000, 0.0005917000000000 ] - [ -0.0020576100000000, -0.0008012600000000, -0.0019360800000000 ] - [ 0.0007912900000000, -0.0009549900000000, 0.0002012600000000 ] - [ 0.0004922700000000, 0.0003112300000000, -0.0005223400000000 ] - [ -0.0000493100000000, 0.0026659000000000, -0.0000774800000000 ] - [ -0.0052105500000000, 0.0018515600000000, -0.0011165500000000 ] - [ -0.0001876000000000, -0.0035313600000000, -0.0005027500000000 ] - [ 0.0009128100000000, -0.0005300500000000, -0.0000476500000000 ] - [ 0.0018507300000000, -0.0013205600000000, -0.0038264600000000 ] - [ 0.0007742900000000, -0.0003031000000000, -0.0000088500000000 ] - [ -0.0010617200000000, 0.0007947300000000, 0.0000219100000000 ] - [ -0.0001137100000000, 0.0003064900000000, 0.0003682900000000 ] - [ 0.0009542100000000, 0.0000334600000000, 0.0000986200000000 ] - [ -0.0013014900000000, -0.0007447000000000, 0.0012128100000000 ] - [ -0.0014897900000000, -0.0086826400000000, -0.0011256400000000 ] - [ -0.0004294500000000, 0.0002422900000000, -0.0001809700000000 ] - [ -0.0007046800000000, 0.0019659900000000, 0.0003914100000000 ] - [ -0.0003954900000000, -0.0000290400000000, 0.0001142500000000 ] - [ 0.0001894800000000, -0.0005615900000000, 0.0001757500000000 ] - [ 0.0007345900000000, -0.0028106600000000, 0.0011693700000000 ] - [ -0.0016640700000000, 0.0005302600000000, -0.0014269600000000 ] - [ 0.0006677800000000, 0.0006360400000000, 0.0002578600000000 ] - [ 0.0011412400000000, -0.0008280400000000, -0.0001923200000000 ] - [ -0.0017067700000000, -0.0004674100000000, -0.0001842700000000 ] - [ -0.0004047100000000, -0.0010746900000000, -0.0001440900000000 ] - [ -0.0007090400000000, -0.0009178800000000, -0.0002229600000000 ] - [ 0.0001218900000000, 0.0067487400000000, 0.0004621500000000 ] - [ 0.0004083200000000, 0.0001378000000000, 0.0001224100000000 ] - [ -0.0001909500000000, 0.0005505100000000, -0.0004667800000000 ] - [ 0.0020838500000000, 0.0014634700000000, -0.0009500800000000 ] - [ -0.0003072800000000, -0.0080640600000000, 0.0003816600000000 ] - [ 0.0000742800000000, 0.0000082000000000, 0.0002752000000000 ] - [ 0.0000211500000000, -0.0017987400000000, 0.0004805900000000 ] - [ 0.0000675900000000, -0.0004215000000000, 0.0004294800000000 ] - [ 0.0000805500000000, 0.0002869000000000, -0.0003113600000000 ] - [ -0.0014496700000000, 0.0074048800000000, -0.0015450200000000 ] - [ -0.0009017800000000, -0.0037254800000000, 0.0014277000000000 ] - [ 0.0003223800000000, -0.0005087800000000, -0.0002188300000000 ] - [ 0.0011875700000000, 0.0005916800000000, 0.0010234200000000 ] - [ -0.0002777600000000, 0.0007173900000000, 0.0007840900000000 ] - [ -0.0025102400000000, -0.0005622100000000, -0.0009426100000000 ] - [ 0.0037955700000000, -0.0002142700000000, -0.0016762200000000 ] - [ 0.0060495100000000, -0.0020266200000000, 0.0047995100000000 ] - [ -0.0008283500000000, -0.0000840900000000, -0.0005155800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005991000000000, -0.0000912100000000, -0.0004262100000000 ] - [ 0.0087881600000000, -0.0052123600000000, 0.0002347600000000 ] - [ -0.0010091200000000, -0.0015434500000000, 0.0034324000000000 ] - [ -0.0001557100000000, -0.0003083400000000, 0.0005507500000000 ] - [ -0.0004497600000000, -0.0037525900000000, 0.0016309900000000 ] - [ -0.0000423200000000, -0.0000166900000000, 0.0004624000000000 ] - [ 0.0004228300000000, 0.0005253900000000, -0.0004785100000000 ] - [ 0.0000871500000000, 0.0011076500000000, -0.0000810200000000 ] - [ 0.0007541300000000, 0.0018678100000000, 0.0011557200000000 ] - [ 0.0002487600000000, 0.0005510700000000, 0.0004070300000000 ] - [ -0.0010254400000000, -0.0017200200000000, -0.0003762300000000 ] - [ 0.0004797800000000, -0.0013767500000000, 0.0000281400000000 ] - [ 0.0001551200000000, -0.0004168900000000, -0.0000123400000000 ] - [ -0.0006417100000000, -0.0004094900000000, -0.0001543000000000 ] - [ -0.0058304100000000, -0.0044500600000000, 0.0022761600000000 ] - [ 0.0013030700000000, -0.0001388400000000, 0.0004939200000000 ] - [ 0.0013368600000000, 0.0632896300000000, -0.0602923300000000 ] - [ -0.0000816400000000, 0.0004855900000000, 0.0004058300000000 ] - [ 0.0001777900000000, 0.0000019800000000, -0.0005382000000000 ] - [ 0.0000891200000000, -0.0006611600000000, -0.0008422500000000 ] - [ 0.0003342700000000, -0.0004875900000000, -0.0005807000000000 ] - [ -0.0014092600000000, -0.0027494800000000, -0.0018657200000000 ] - [ 0.0000444800000000, -0.0004250000000000, 0.0000104200000000 ] - [ -0.0001278600000000, -0.0001402200000000, 0.0005518300000000 ] - [ 0.0084152300000000, -0.0100778700000000, 0.0242638800000000 ] - [ -0.0001504500000000, -0.0004033700000000, 0.0006300100000000 ] - [ -0.0003161500000000, -0.0007443400000000, -0.0009317100000000 ] - [ 0.0003908900000000, -0.0017822100000000, -0.0017863200000000 ] - [ 0.0034731300000000, -0.0043683700000000, -0.0016823300000000 ] - [ 0.0002297500000000, -0.0008522400000000, 0.0005838200000000 ] - [ 0.0002917100000000, 0.0005067300000000, -0.0006249800000000 ] - [ -0.0007377300000000, 0.0013419000000000, -0.0013912000000000 ] - [ -0.0003957200000000, 0.0024184400000000, 0.0032163100000000 ] - [ 0.0000809100000000, 0.0007614100000000, -0.0006598200000000 ] - [ -0.0000225400000000, 0.0002871600000000, 0.0007195100000000 ] - [ -0.0004145700000000, -0.0004871200000000, 0.0002289100000000 ] - [ 0.0002169600000000, -0.0009997300000000, 0.0007640600000000 ] - [ -0.0005376800000000, -0.0022813900000000, 0.0011791400000000 ] - [ -0.0005971600000000, 0.0019002700000000, -0.0195091900000000 ] - [ 0.0001416100000000, -0.0003074600000000, -0.0006877200000000 ] - [ 0.0010490200000000, -0.0036700000000000, 0.0001197700000000 ] - [ 0.0004391400000000, -0.0011034600000000, -0.0000630100000000 ] - [ -0.0012772200000000, 0.0005875600000000, -0.0002120800000000 ] - [ -0.0010713400000000, 0.0012260000000000, -0.0004536100000000 ] - [ -0.0004423700000000, 0.0014490000000000, 0.0001331200000000 ] - [ -0.0002679100000000, 0.0012260700000000, 0.0004421900000000 ] - [ 0.0007957100000000, -0.0009961400000000, -0.0006318100000000 ] - [ 0.0006043200000000, 0.0003559900000000, 0.0000729700000000 ] - [ 0.0000172900000000, -0.0000052800000000, 0.0004680300000000 ] - [ 0.0006956400000000, -0.0002431300000000, 0.0008443700000000 ] - [ -0.0003935600000000, -0.0008326500000000, -0.0014409200000000 ] - [ -0.0000868100000000, -0.0002534200000000, -0.0004734000000000 ] - [ -0.0001164600000000, -0.0023072600000000, -0.0017129800000000 ] - [ -0.0001180700000000, -0.0000594100000000, -0.0005026900000000 ] - [ 0.0005839300000000, 0.0006628000000000, 0.0004363700000000 ] - [ -0.0067904400000000, 0.0056075900000000, 0.0070315000000000 ] - [ 0.0008256500000000, 0.0001858200000000, -0.0008441900000000 ] - [ 0.0000928300000000, -0.0005988600000000, -0.0000500400000000 ] - [ -0.0007434200000000, -0.0008129400000000, 0.0008068300000000 ] - [ 0.0000150500000000, -0.0008630200000000, 0.0003888200000000 ] - [ 0.0017754400000000, 0.0014174700000000, -0.0002649600000000 ] - [ -0.0013283300000000, 0.0002867500000000, 0.0002709000000000 ] - [ -0.0007942100000000, -0.0010797600000000, -0.0013092200000000 ] - [ 0.0004789100000000, 0.0005448400000000, -0.0002990300000000 ] - [ 0.0002897200000000, -0.0002887100000000, 0.0003307600000000 ] - [ 0.0003978900000000, 0.0005268200000000, 0.0006212500000000 ] - [ 0.0001770800000000, 0.0017034000000000, -0.0008741800000000 ] - [ -0.0015566500000000, 0.0019191100000000, -0.0013781600000000 ] - [ -0.0007552100000000, -0.0005719500000000, -0.0008597900000000 ] - [ -0.0000527700000000, -0.0006767300000000, -0.0006337600000000 ] - [ 0.0000040300000000, -0.0002216000000000, 0.0012320100000000 ] - [ 0.0000782900000000, 0.0004783500000000, 0.0008375300000000 ] - [ -0.0056551200000000, -0.0494422700000000, 0.0433448000000000 ] - [ 0.0003635500000000, -0.0004469800000000, -0.0005062000000000 ] - [ -0.0005070100000000, 0.0005820800000000, 0.0007198100000000 ] - [ -0.0012671000000000, 0.0025778300000000, 0.0009661300000000 ] - [ -0.0007670800000000, 0.0003736000000000, 0.0006965500000000 ] - [ 0.0009677800000000, 0.0010233600000000, 0.0032066200000000 ] - [ 0.0002900700000000, 0.0011441700000000, -0.0014915800000000 ] - [ 0.0005901200000000, -0.0001003900000000, -0.0007656100000000 ] - [ -0.0015898100000000, -0.0026745600000000, -0.0000632500000000 ] - [ 0.0036348500000000, -0.0018741100000000, 0.0009961500000000 ] - [ 0.0018342100000000, 0.0035252900000000, 0.0006488500000000 ] - [ 0.0007243700000000, 0.0005220400000000, 0.0001815300000000 ] - [ -0.0002129300000000, 0.0013428600000000, 0.0039407700000000 ] - [ 0.0008636100000000, 0.0003167400000000, 0.0001402100000000 ] - [ -0.0005733400000000, -0.0007929600000000, -0.0001586000000000 ] - [ -0.0015209700000000, -0.0003033500000000, -0.0005039200000000 ] - [ -0.0000513000000000, 0.0003144000000000, -0.0001915300000000 ] - [ 0.0022007500000000, 0.0011106900000000, -0.0013140000000000 ] - [ 0.0005755300000000, 0.0086251400000000, 0.0011160400000000 ] - [ -0.0004706900000000, 0.0001026900000000, 0.0002759100000000 ] - [ -0.0001998200000000, -0.0023038700000000, -0.0002965900000000 ] - [ -0.0005047500000000, -0.0003171000000000, -0.0000213100000000 ] - [ 0.0007150700000000, 0.0002147700000000, -0.0002714600000000 ] - [ 0.0001579800000000, 0.0024639300000000, -0.0012734100000000 ] - [ 0.0026873600000000, 0.0003136100000000, 0.0018954200000000 ] - [ 0.0003772800000000, 0.0002167600000000, 0.0002185700000000 ] - [ -0.0021771200000000, 0.0016873900000000, -0.0002810900000000 ] - [ 0.0006583100000000, 0.0013302000000000, -0.0002867400000000 ] - [ -0.0006355400000000, 0.0002195500000000, -0.0003330600000000 ] - [ -0.0003357300000000, 0.0000634100000000, -0.0002540600000000 ] - [ 0.0009628200000000, -0.0076135000000000, -0.0000117100000000 ] - [ 0.0006394400000000, -0.0009956200000000, 0.0003548700000000 ] - [ 0.0001727200000000, -0.0000681700000000, -0.0002601300000000 ] - [ -0.0020869000000000, -0.0009960100000000, 0.0002103300000000 ] - [ 0.0003273700000000, 0.0085159900000000, 0.0003623300000000 ] - [ -0.0000553200000000, 0.0004764100000000, 0.0004525400000000 ] - [ -0.0000040200000000, 0.0013160200000000, 0.0002454200000000 ] - [ -0.0000478300000000, -0.0000616700000000, 0.0002975900000000 ] - [ -0.0001004200000000, -0.0007726400000000, -0.0004164000000000 ] - [ 0.0013999200000000, -0.0078652500000000, 0.0007909400000000 ] - [ 0.0003350600000000, 0.0036410000000000, -0.0029329300000000 ] - [ -0.0009039300000000, 0.0004246600000000, -0.0012710000000000 ] - [ -0.0006102100000000, -0.0006709000000000, 0.0004636400000000 ] - [ 0.0008608700000000, -0.0007952600000000, 0.0006988700000000 ] - [ 0.0031030200000000, 0.0006375500000000, 0.0024373400000000 ] - [ -0.0032286100000000, 0.0002879400000000, 0.0031742400000000 ] - [ -0.0066359600000000, 0.0021175700000000, -0.0062930800000000 ] - [ 0.0002569000000000, 0.0001729000000000, -0.0009753600000000 ]- atom: 17 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ -0.0002634200000000, -0.0003217000000000, -0.0008790000000000 ] - [ 0.0019634000000000, -0.0031240300000000, -0.0052009700000000 ] - [ -0.0007554900000000, -0.0013014600000000, 0.0046256300000000 ] - [ -0.0002311400000000, -0.0002551800000000, 0.0007228800000000 ] - [ 0.0002679000000000, 0.0002535700000000, -0.0011405800000000 ] - [ -0.0001969300000000, 0.0001925900000000, 0.0003357100000000 ] - [ 0.0004741200000000, 0.0003762500000000, -0.0000367000000000 ] - [ -0.0007069600000000, -0.0001622700000000, 0.0028392000000000 ] - [ 0.0018453200000000, 0.0001109100000000, 0.0034166800000000 ] - [ 0.0001507900000000, 0.0005459200000000, 0.0009621200000000 ] - [ -0.0007685000000000, -0.0002871200000000, -0.0009234700000000 ] - [ 0.0000170100000000, -0.0000922800000000, -0.0006502600000000 ] - [ 0.0003253400000000, -0.0004223000000000, 0.0007064200000000 ] - [ -0.0006879800000000, -0.0004106000000000, 0.0006141000000000 ] - [ -0.0021235800000000, -0.0041287200000000, -0.0026219700000000 ] - [ 0.0006158300000000, -0.0002735200000000, -0.0001004200000000 ] - [ 0.0311005500000000, 0.0590227600000000, -0.3495901400000000 ] - [ -0.0001819200000000, 0.0003566300000000, 0.0000708200000000 ] - [ 0.0002178400000000, 0.0002229800000000, -0.0003694600000000 ] - [ -0.0001319700000000, -0.0000770300000000, 0.0002595000000000 ] - [ -0.0000403300000000, -0.0001773500000000, -0.0006660900000000 ] - [ 0.0006469500000000, 0.0010738000000000, -0.0015539500000000 ] - [ -0.0000422600000000, -0.0007662100000000, 0.0079391500000000 ] - [ -0.0001275600000000, -0.0002096000000000, 0.0008601200000000 ] - [ 0.0063531800000000, -0.0167932700000000, 0.0159217700000000 ] - [ -0.0004303100000000, -0.0003692100000000, 0.0004868700000000 ] - [ 0.0003081400000000, -0.0003902500000000, -0.0008433300000000 ] - [ -0.0010616400000000, -0.0000544500000000, -0.0017506400000000 ] - [ -0.0009690900000000, 0.0022546400000000, -0.0005011600000000 ] - [ 0.0003963600000000, -0.0006492800000000, 0.0003675400000000 ] - [ -0.0004116000000000, 0.0007697600000000, -0.0005214300000000 ] - [ 0.0015548300000000, 0.0021978500000000, 0.0016426700000000 ] - [ -0.0008277000000000, -0.0056789900000000, 0.0165312900000000 ] - [ 0.0001213000000000, 0.0005518300000000, -0.0005518200000000 ] - [ -0.0001258600000000, 0.0006112400000000, 0.0009179000000000 ] - [ 0.0001436800000000, 0.0012095400000000, 0.0013371000000000 ] - [ 0.0000182000000000, -0.0006021900000000, 0.0004247000000000 ] - [ -0.0006911100000000, -0.0014119000000000, 0.0001762300000000 ] - [ 0.0008627600000000, 0.0121607900000000, 0.0299841000000000 ] - [ -0.0000028900000000, -0.0004801300000000, -0.0007816800000000 ] - [ 0.0015773900000000, -0.0024537200000000, -0.0001931800000000 ] - [ 0.0003270300000000, -0.0010524700000000, -0.0000830100000000 ] - [ 0.0008445100000000, -0.0004002200000000, -0.0011761600000000 ] - [ -0.0028321500000000, 0.0011617300000000, -0.0011754500000000 ] - [ -0.0023636700000000, 0.0000525100000000, 0.0025440700000000 ] - [ 0.0014242600000000, 0.0004280400000000, 0.0027382900000000 ] - [ 0.0002828300000000, 0.0014581800000000, 0.0004641600000000 ] - [ 0.0006971700000000, 0.0006887100000000, 0.0000154800000000 ] - [ -0.0002083500000000, -0.0003888100000000, 0.0007533600000000 ] - [ 0.0017916800000000, -0.0021016200000000, 0.0024047000000000 ] - [ -0.0002021600000000, 0.0014642200000000, 0.0008117200000000 ] - [ -0.0001797000000000, -0.0000948300000000, -0.0004203500000000 ] - [ -0.0002903400000000, 0.0005290500000000, -0.0005452000000000 ] - [ -0.0002287600000000, 0.0001510200000000, -0.0004897800000000 ] - [ 0.0005334300000000, 0.0002827500000000, -0.0001240900000000 ] - [ -0.0179724900000000, -0.0043309400000000, 0.0101758600000000 ] - [ -0.0009372900000000, 0.0006700600000000, 0.0024846600000000 ] - [ 0.0007434400000000, -0.0003654000000000, 0.0000030400000000 ] - [ -0.0007819700000000, -0.0007884100000000, 0.0006476900000000 ] - [ 0.0003627700000000, -0.0011273500000000, 0.0001754700000000 ] - [ 0.0021742700000000, 0.0011184500000000, -0.0010299700000000 ] - [ -0.0036508600000000, -0.0008915500000000, 0.0001621600000000 ] - [ 0.0015793100000000, 0.0011040500000000, -0.0013154400000000 ] - [ -0.0000848200000000, 0.0008375100000000, -0.0001862900000000 ] - [ 0.0005031100000000, 0.0007372300000000, 0.0015808500000000 ] - [ 0.0003385100000000, 0.0006757000000000, 0.0009029800000000 ] - [ -0.0020922900000000, 0.0012625700000000, -0.0037051400000000 ] - [ 0.0002859800000000, 0.0015810000000000, -0.0056287500000000 ] - [ 0.0004633800000000, -0.0007151900000000, 0.0008866300000000 ] - [ -0.0008899800000000, -0.0005312200000000, 0.0013162000000000 ] - [ -0.0002447800000000, -0.0015838600000000, 0.0016774300000000 ] - [ 0.0000435100000000, 0.0004508400000000, 0.0008209500000000 ] - [ -0.0219640600000000, -0.0405432400000000, 0.2561678400000000 ] - [ 0.0005956900000000, -0.0003693800000000, -0.0001222100000000 ] - [ -0.0007072800000000, -0.0001519100000000, 0.0006322400000000 ] - [ 0.0000429900000000, -0.0000810500000000, 0.0000055700000000 ] - [ -0.0002759200000000, -0.0002266200000000, 0.0006050100000000 ] - [ -0.0016803000000000, -0.0027281500000000, 0.0001862000000000 ] - [ -0.0007745100000000, 0.0069136000000000, -0.0079229500000000 ] - [ 0.0006546300000000, 0.0000768400000000, -0.0010808500000000 ] - [ -0.0024979900000000, -0.0003397200000000, 0.0031312500000000 ] - [ 0.0109920400000000, -0.0009902300000000, 0.0068906000000000 ] - [ 0.0007227900000000, 0.0004760100000000, -0.0007518100000000 ] - [ 0.0010653500000000, 0.0001076400000000, -0.0001485300000000 ] - [ 0.0019559300000000, -0.0024780700000000, -0.0013877800000000 ] - [ 0.0005924000000000, -0.0001901000000000, 0.0002990600000000 ] - [ -0.0000788000000000, 0.0011785900000000, -0.0017337000000000 ] - [ -0.0025111600000000, 0.0013959200000000, -0.0024378600000000 ] - [ -0.0000098800000000, 0.0002538200000000, -0.0002760900000000 ] - [ 0.0025228600000000, 0.0027813100000000, -0.0030316500000000 ] - [ -0.0008251300000000, -0.0048333200000000, 0.0112622000000000 ] - [ -0.0003416200000000, 0.0001656400000000, 0.0004507900000000 ] - [ -0.0002994900000000, -0.0020618000000000, -0.0057329000000000 ] - [ -0.0004798800000000, -0.0002341600000000, -0.0003813500000000 ] - [ 0.0007118500000000, -0.0000681300000000, -0.0000184300000000 ] - [ 0.0001601300000000, 0.0004760000000000, 0.0004003000000000 ] - [ -0.0045368300000000, -0.0017069200000000, -0.0042834500000000 ] - [ 0.0008994300000000, 0.0002935200000000, -0.0002989000000000 ] - [ -0.0005238800000000, 0.0003923700000000, 0.0014573700000000 ] - [ -0.0003259800000000, 0.0008044300000000, 0.0012732500000000 ] - [ -0.0006587300000000, -0.0003061500000000, -0.0011605500000000 ] - [ -0.0005686200000000, -0.0002600400000000, -0.0010906600000000 ] - [ -0.0024567700000000, -0.0006760700000000, 0.0097847000000000 ] - [ -0.0001751700000000, -0.0005550600000000, 0.0007499700000000 ] - [ -0.0003717600000000, 0.0002166900000000, -0.0006272100000000 ] - [ 0.0047406000000000, -0.0022211500000000, -0.0055659400000000 ] - [ 0.0001220300000000, 0.0017619400000000, 0.0050581600000000 ] - [ 0.0000969200000000, 0.0003146700000000, 0.0007788600000000 ] - [ 0.0001409300000000, 0.0003564800000000, -0.0017010100000000 ] - [ 0.0000099700000000, -0.0001829400000000, 0.0000124400000000 ] - [ 0.0008828200000000, -0.0001572200000000, -0.0002027400000000 ] - [ 0.0043776300000000, -0.0013846700000000, 0.0120283700000000 ] - [ 0.0001469700000000, 0.0014037900000000, -0.0003321500000000 ] - [ -0.0006971100000000, 0.0001160900000000, -0.0004832600000000 ] - [ 0.0005169700000000, -0.0004270300000000, -0.0029316400000000 ] - [ -0.0001146100000000, -0.0005708200000000, -0.0028184500000000 ] - [ 0.0002616500000000, 0.0000403100000000, 0.0041837500000000 ] - [ -0.0000028500000000, -0.0005908900000000, 0.0037457900000000 ] - [ -0.0078070900000000, 0.0031359200000000, -0.0077400000000000 ] - [ 0.0008545800000000, 0.0003731800000000, -0.0017939100000000 ]- atom: 17 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ 0.0006717500000000, -0.0001700500000000, -0.0001277400000000 ] - [ -0.0016314400000000, 0.0026872200000000, 0.0041691700000000 ] - [ 0.0003549900000000, 0.0008170600000000, -0.0036230900000000 ] - [ -0.0001707400000000, -0.0002351300000000, 0.0002836700000000 ] - [ -0.0006699400000000, 0.0002486700000000, 0.0021346200000000 ] - [ -0.0002061900000000, 0.0002992000000000, 0.0006699000000000 ] - [ -0.0000731000000000, 0.0001146500000000, -0.0009688900000000 ] - [ 0.0011144000000000, 0.0006577100000000, -0.0038449700000000 ] - [ -0.0012153500000000, 0.0004980200000000, -0.0028330200000000 ] - [ 0.0004889200000000, 0.0000600800000000, -0.0003746700000000 ] - [ 0.0001401300000000, 0.0009003400000000, 0.0003401900000000 ] - [ -0.0006625400000000, 0.0007068700000000, 0.0000609600000000 ] - [ -0.0009628900000000, -0.0001813800000000, -0.0012923600000000 ] - [ 0.0000549200000000, -0.0001928300000000, -0.0012000500000000 ] - [ 0.0027946200000000, 0.0035618800000000, 0.0031720900000000 ] - [ 0.0000149700000000, -0.0003324100000000, 0.0006837300000000 ] - [ -0.0336048300000000, -0.0625591100000000, 0.3675436800000000 ] - [ -0.0000530700000000, 0.0001557200000000, 0.0009444100000000 ] - [ 0.0000171600000000, 0.0002913400000000, -0.0006436500000000 ] - [ 0.0003671200000000, 0.0005916200000000, -0.0012701300000000 ] - [ 0.0002776900000000, -0.0003341700000000, -0.0003521400000000 ] - [ -0.0004165500000000, -0.0015904400000000, 0.0005278500000000 ] - [ -0.0001891100000000, 0.0002394100000000, -0.0069188100000000 ] - [ -0.0001069600000000, -0.0003047400000000, 0.0001528500000000 ] - [ -0.0064410700000000, 0.0160034400000000, -0.0146007700000000 ] - [ 0.0003846200000000, -0.0006053900000000, 0.0009308000000000 ] - [ -0.0002589300000000, -0.0005818900000000, -0.0005715900000000 ] - [ 0.0011130900000000, -0.0009183400000000, 0.0003454500000000 ] - [ 0.0017423800000000, -0.0036721100000000, 0.0018172200000000 ] - [ 0.0003674300000000, -0.0007554000000000, 0.0009683800000000 ] - [ 0.0004579700000000, 0.0002044800000000, -0.0008978000000000 ] - [ -0.0015044300000000, -0.0012143000000000, -0.0030609900000000 ] - [ 0.0009631900000000, 0.0067150100000000, -0.0176698400000000 ] - [ 0.0000441900000000, 0.0005509200000000, -0.0008105300000000 ] - [ -0.0000393300000000, 0.0004922300000000, 0.0004403000000000 ] - [ -0.0003083100000000, -0.0001027500000000, 0.0000156400000000 ] - [ -0.0001818300000000, -0.0004999900000000, 0.0009369500000000 ] - [ 0.0005254900000000, 0.0003121000000000, 0.0011879800000000 ] - [ -0.0007252900000000, -0.0135169200000000, -0.0318641400000000 ] - [ 0.0001688500000000, -0.0006236400000000, -0.0005783600000000 ] - [ -0.0004029500000000, 0.0010494100000000, 0.0000928200000000 ] - [ 0.0008507000000000, -0.0003604200000000, -0.0000201700000000 ] - [ -0.0020191500000000, -0.0010148100000000, 0.0012900200000000 ] - [ 0.0016582900000000, -0.0025841100000000, 0.0012901300000000 ] - [ 0.0011832500000000, 0.0013578800000000, -0.0024377600000000 ] - [ -0.0025904800000000, 0.0009834700000000, -0.0026226600000000 ] - [ 0.0008925300000000, -0.0000423400000000, -0.0005785400000000 ] - [ 0.0004801800000000, 0.0007275000000000, -0.0001229800000000 ] - [ 0.0005263200000000, 0.0000360200000000, 0.0001543500000000 ] - [ -0.0014633200000000, 0.0017397500000000, -0.0014985200000000 ] - [ -0.0001200900000000, -0.0018023800000000, -0.0017254600000000 ] - [ -0.0001378900000000, -0.0002547200000000, -0.0004922300000000 ] - [ -0.0000293100000000, -0.0001720100000000, -0.0003519700000000 ] - [ -0.0000888900000000, 0.0002000500000000, -0.0004206100000000 ] - [ -0.0002143300000000, 0.0000667700000000, 0.0010356300000000 ] - [ 0.0184588400000000, 0.0047435600000000, -0.0093466400000000 ] - [ 0.0014375800000000, -0.0019354300000000, -0.0026817900000000 ] - [ -0.0002369300000000, -0.0009040600000000, -0.0001985900000000 ] - [ 0.0002828800000000, -0.0004871300000000, -0.0004651100000000 ] - [ -0.0008629300000000, -0.0001500500000000, 0.0000096100000000 ] - [ -0.0026827300000000, 0.0001509800000000, 0.0012299300000000 ] - [ 0.0031570800000000, 0.0021697900000000, 0.0000314000000000 ] - [ -0.0010745600000000, 0.0001686900000000, 0.0011360700000000 ] - [ 0.0005866300000000, 0.0004362800000000, -0.0000037200000000 ] - [ 0.0002601600000000, 0.0006662300000000, -0.0002397200000000 ] - [ 0.0004269500000000, 0.0007302500000000, 0.0004361500000000 ] - [ 0.0013364700000000, 0.0001443500000000, 0.0023574700000000 ] - [ -0.0010612900000000, -0.0001742700000000, 0.0042908000000000 ] - [ -0.0012343000000000, -0.0006947100000000, -0.0022292200000000 ] - [ 0.0001311600000000, -0.0008788100000000, -0.0026571000000000 ] - [ 0.0001891300000000, 0.0025368000000000, -0.0002734000000000 ] - [ -0.0000908700000000, 0.0005229100000000, 0.0005942400000000 ] - [ 0.0251662600000000, 0.0444858800000000, -0.2743572600000000 ] - [ 0.0004947600000000, 0.0001683100000000, -0.0011722900000000 ] - [ -0.0003855400000000, -0.0000529700000000, 0.0006560000000000 ] - [ -0.0011311500000000, -0.0001254100000000, 0.0012777700000000 ] - [ -0.0008166100000000, 0.0004277500000000, 0.0006901800000000 ] - [ 0.0005851100000000, 0.0029132800000000, 0.0011197600000000 ] - [ 0.0018571000000000, -0.0066727400000000, 0.0066345800000000 ] - [ 0.0004369800000000, 0.0001273500000000, -0.0002087200000000 ] - [ 0.0008404000000000, 0.0003370400000000, -0.0032877400000000 ] - [ -0.0126449100000000, 0.0009903400000000, -0.0070695100000000 ] - [ 0.0009186800000000, -0.0004898600000000, 0.0008870800000000 ] - [ 0.0005794400000000, -0.0001185000000000, 0.0002898700000000 ] - [ -0.0003010100000000, 0.0024695800000000, 0.0015565300000000 ] - [ 0.0010517100000000, 0.0001954100000000, -0.0001518400000000 ] - [ -0.0015633100000000, -0.0011602400000000, 0.0015954000000000 ] - [ 0.0008587000000000, -0.0013743500000000, 0.0022947700000000 ] - [ 0.0009122700000000, 0.0000901000000000, 0.0001802100000000 ] - [ -0.0016236700000000, -0.0024445200000000, 0.0029391900000000 ] - [ -0.0000792800000000, 0.0051085100000000, -0.0112229200000000 ] - [ -0.0005604000000000, 0.0001796500000000, -0.0003597400000000 ] - [ -0.0005998700000000, 0.0017005300000000, 0.0058177800000000 ] - [ -0.0004234200000000, -0.0001105600000000, 0.0004747000000000 ] - [ 0.0001870800000000, -0.0002776500000000, -0.0000722200000000 ] - [ 0.0007424700000000, -0.0008251400000000, -0.0004780100000000 ] - [ 0.0056112600000000, 0.0025703100000000, 0.0047664800000000 ] - [ 0.0001412800000000, 0.0005610900000000, 0.0007718900000000 ] - [ -0.0005234300000000, 0.0004616200000000, -0.0019399900000000 ] - [ -0.0007137700000000, 0.0000473800000000, -0.0017544800000000 ] - [ -0.0003836100000000, -0.0005482100000000, 0.0006859500000000 ] - [ -0.0004752800000000, -0.0005926700000000, 0.0006145900000000 ] - [ 0.0030486400000000, -0.0001673600000000, -0.0090455400000000 ] - [ 0.0012147100000000, -0.0002974000000000, -0.0002680900000000 ] - [ 0.0003533700000000, 0.0002683000000000, -0.0001036500000000 ] - [ -0.0047865600000000, 0.0027134800000000, 0.0048446100000000 ] - [ -0.0001035700000000, -0.0012589700000000, -0.0043490800000000 ] - [ -0.0000791900000000, 0.0001680900000000, -0.0000540000000000 ] - [ -0.0001210400000000, -0.0008398800000000, 0.0024289400000000 ] - [ 0.0000087600000000, -0.0003018900000000, 0.0007149500000000 ] - [ -0.0008997300000000, -0.0003255200000000, -0.0005199600000000 ] - [ -0.0038473400000000, 0.0008226600000000, -0.0123846100000000 ] - [ -0.0007227300000000, -0.0014953200000000, -0.0011271400000000 ] - [ 0.0001202900000000, -0.0001990200000000, -0.0009953900000000 ] - [ 0.0000710100000000, 0.0003403300000000, 0.0044179100000000 ] - [ 0.0006852800000000, 0.0004816200000000, 0.0043012600000000 ] - [ 0.0003005100000000, 0.0000378800000000, -0.0027150000000000 ] - [ 0.0006083100000000, 0.0006704500000000, -0.0022846800000000 ] - [ 0.0072378300000000, -0.0030587100000000, 0.0062522800000000 ] - [ -0.0014369400000000, -0.0002924800000000, 0.0003044800000000 ]- atom: 25 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0008373100000000, 0.0001173300000000, -0.0007929600000000 ] - [ 0.0002367500000000, -0.0013679000000000, 0.0000425300000000 ] - [ -0.0083613300000000, -0.0000997200000000, 0.0008203500000000 ] - [ 0.0014851100000000, -0.0002406000000000, 0.0005189900000000 ] - [ -0.0017944300000000, 0.0009436500000000, 0.0014250700000000 ] - [ 0.0008393600000000, 0.0000980000000000, 0.0004019300000000 ] - [ 0.0017203700000000, 0.0006577200000000, 0.0001539000000000 ] - [ 0.0001398900000000, 0.0002071300000000, -0.0027986300000000 ] - [ 0.0014362200000000, 0.0024586800000000, 0.0057523900000000 ] - [ 0.0014080900000000, 0.0002404700000000, -0.0000449700000000 ] - [ -0.0006871400000000, -0.0005938400000000, -0.0009550200000000 ] - [ 0.0003391700000000, 0.0004062300000000, 0.0001690700000000 ] - [ 0.0008246200000000, -0.0012119900000000, 0.0017066200000000 ] - [ 0.0008959900000000, 0.0000109100000000, -0.0010485200000000 ] - [ -0.0013026000000000, -0.0004751100000000, -0.0000741600000000 ] - [ 0.0014076700000000, -0.0006882500000000, 0.0008091900000000 ] - [ -0.0065192000000000, -0.0081841400000000, 0.0067295600000000 ] - [ 0.0013053400000000, 0.0003833100000000, 0.0001321000000000 ] - [ 0.0009366100000000, -0.0000776300000000, -0.0002076200000000 ] - [ -0.0009188400000000, 0.0006253000000000, -0.0016184500000000 ] - [ 0.0010933400000000, -0.0005253000000000, -0.0009210400000000 ] - [ -0.0002224100000000, 0.0005056000000000, 0.0010176100000000 ] - [ -0.0015896300000000, -0.0002320400000000, 0.0002620600000000 ] - [ 0.0008206500000000, -0.0001571700000000, 0.0005923000000000 ] - [ -0.1424325500000000, 0.1286318000000000, -0.0751902300000000 ] - [ 0.0019190700000000, -0.0010041900000000, 0.0011177000000000 ] - [ 0.0006113300000000, -0.0003167800000000, -0.0006351400000000 ] - [ -0.0005028100000000, -0.0006175700000000, -0.0011354700000000 ] - [ -0.0013048500000000, -0.0015312200000000, -0.0014364900000000 ] - [ 0.0014328900000000, -0.0004723600000000, 0.0009865700000000 ] - [ 0.0006428200000000, 0.0002021200000000, -0.0004126200000000 ] - [ -0.0003632800000000, 0.0009391800000000, -0.0005092300000000 ] - [ -0.0009826100000000, 0.0006680700000000, 0.0003076600000000 ] - [ 0.0009963800000000, 0.0004987000000000, -0.0005006800000000 ] - [ 0.0004751800000000, 0.0004121900000000, 0.0007687100000000 ] - [ -0.0006895900000000, 0.0006153600000000, 0.0012775900000000 ] - [ 0.0014499600000000, -0.0017267900000000, 0.0006891900000000 ] - [ 0.0010152400000000, 0.0033787800000000, 0.0001372000000000 ] - [ -0.0074300100000000, -0.0039709300000000, -0.0016850200000000 ] - [ 0.0017336100000000, -0.0000274800000000, -0.0004976800000000 ] - [ 0.0013306700000000, -0.0126217200000000, 0.0015637700000000 ] - [ 0.0016575700000000, -0.0002067400000000, -0.0002158000000000 ] - [ -0.0002276900000000, 0.0022942900000000, -0.0005562300000000 ] - [ 0.0037831000000000, -0.0045672800000000, 0.0000498200000000 ] - [ -0.0003965100000000, 0.0014464000000000, 0.0008160200000000 ] - [ -0.0002906200000000, 0.0004935200000000, 0.0001127100000000 ] - [ 0.0000671500000000, 0.0001290700000000, -0.0000637200000000 ] - [ 0.0011033700000000, 0.0007023900000000, 0.0000459600000000 ] - [ 0.0010465400000000, -0.0000563600000000, 0.0004515900000000 ] - [ -0.0005090300000000, -0.0003316200000000, 0.0006791800000000 ] - [ -0.0020760300000000, -0.0002256400000000, -0.0000252300000000 ] - [ 0.0012291100000000, -0.0001593200000000, -0.0003991700000000 ] - [ -0.0037552600000000, -0.0002985700000000, -0.0010395700000000 ] - [ 0.0017135400000000, -0.0000145700000000, -0.0004336800000000 ] - [ 0.0054079300000000, 0.0020385900000000, -0.0000993000000000 ] - [ 0.0379089800000000, -0.0201344300000000, 0.0040190800000000 ] - [ -0.0006711700000000, -0.0010618600000000, 0.0008797400000000 ] - [ 0.0009796900000000, -0.0004035300000000, -0.0001844200000000 ] - [ -0.0004486200000000, -0.0005264800000000, 0.0003462200000000 ] - [ -0.0000383700000000, -0.0008222900000000, 0.0000975400000000 ] - [ 0.0185595000000000, 0.0031415000000000, -0.0013828900000000 ] - [ 0.0038934800000000, 0.0029451600000000, -0.0013214600000000 ] - [ -0.0009473200000000, -0.0011293200000000, -0.0004409600000000 ] - [ 0.0013432900000000, -0.0000514600000000, -0.0004468400000000 ] - [ -0.0006960900000000, -0.0003309100000000, 0.0016440600000000 ] - [ 0.0010873400000000, 0.0006609200000000, 0.0005133400000000 ] - [ 0.0003608700000000, 0.0023049000000000, -0.0034258900000000 ] - [ 0.0024690800000000, 0.0006599400000000, 0.0023804700000000 ] - [ -0.0002829300000000, -0.0003849400000000, -0.0004314900000000 ] - [ 0.0000021200000000, -0.0009823300000000, -0.0010811400000000 ] - [ -0.0007001600000000, 0.0000225900000000, 0.0008685600000000 ] - [ 0.0006590800000000, 0.0006848600000000, 0.0009858100000000 ] - [ 0.0747347700000000, -0.0801038600000000, 0.0300903400000000 ] - [ -0.0032205700000000, -0.0000578600000000, -0.0002105200000000 ] - [ -0.0023224400000000, 0.0007393200000000, 0.0003196000000000 ] - [ 0.0023063100000000, -0.0020868900000000, 0.0025912500000000 ] - [ -0.0018982200000000, 0.0004033900000000, 0.0009219600000000 ] - [ 0.0012632800000000, -0.0000512400000000, -0.0011312500000000 ] - [ 0.0017152000000000, 0.0005659700000000, -0.0009476600000000 ] - [ -0.0005826800000000, -0.0000594200000000, -0.0007793600000000 ] - [ -0.0063441000000000, -0.0096744700000000, 0.0048949300000000 ] - [ -0.0151684600000000, -0.0007476400000000, -0.0042082400000000 ] - [ 0.0057928100000000, 0.0051973500000000, -0.0015392400000000 ] - [ -0.0009030800000000, -0.0000208200000000, 0.0003631100000000 ] - [ 0.0025333000000000, 0.0005622800000000, 0.0005835000000000 ] - [ -0.0005069200000000, -0.0002399700000000, -0.0003570100000000 ] - [ -0.0013595000000000, -0.0008264600000000, -0.0004885100000000 ] - [ -0.0007258000000000, 0.0004187600000000, 0.0001996900000000 ] - [ -0.0029733500000000, 0.0013150000000000, -0.0017730200000000 ] - [ -0.0040276400000000, -0.0047273400000000, 0.0085371300000000 ] - [ 0.0014281600000000, 0.0024375400000000, 0.0002504700000000 ] - [ -0.0018355500000000, 0.0000034700000000, 0.0001475100000000 ] - [ 0.0025430400000000, -0.0012263700000000, -0.0003640900000000 ] - [ -0.0019720100000000, -0.0001175800000000, -0.0001178700000000 ] - [ -0.0001912300000000, -0.0001110300000000, 0.0000194900000000 ] - [ 0.0008595500000000, -0.0000748600000000, -0.0006093400000000 ] - [ 0.0029148800000000, -0.0010370000000000, 0.0007459900000000 ] - [ -0.0011363800000000, 0.0006732000000000, 0.0007916000000000 ] - [ -0.0024793900000000, 0.0032104600000000, 0.0031382900000000 ] - [ -0.0022546200000000, -0.0008103800000000, -0.0013542900000000 ] - [ -0.0007393300000000, 0.0002311300000000, -0.0009816100000000 ] - [ -0.0008115300000000, -0.0005719200000000, -0.0000112800000000 ] - [ 0.0039054400000000, -0.0017907900000000, 0.0004558400000000 ] - [ -0.0013487400000000, -0.0002063600000000, -0.0004265900000000 ] - [ -0.0012266200000000, -0.0005064600000000, -0.0008014300000000 ] - [ 0.0004792800000000, 0.0029720000000000, 0.0027302500000000 ] - [ 0.0073920600000000, -0.0015113200000000, 0.0001723400000000 ] - [ -0.0016064900000000, 0.0003020500000000, 0.0005497000000000 ] - [ 0.0014462600000000, 0.0006194200000000, -0.0002387600000000 ] - [ -0.0010820500000000, -0.0001831000000000, 0.0002586900000000 ] - [ -0.0012816800000000, -0.0006678500000000, 0.0000961700000000 ] - [ -0.0003557200000000, 0.0004445400000000, -0.0030577500000000 ] - [ 0.0017877400000000, 0.0004359700000000, -0.0009321100000000 ] - [ -0.0018168100000000, 0.0002689600000000, -0.0013139900000000 ] - [ -0.0019795900000000, 0.0002823200000000, -0.0025528300000000 ] - [ -0.0008758400000000, -0.0001587000000000, 0.0015126500000000 ] - [ 0.0005843000000000, -0.0008357100000000, 0.0023480400000000 ] - [ -0.0009885400000000, 0.0022567000000000, -0.0003837500000000 ] - [ 0.0318224500000000, -0.0059675700000000, 0.0232552500000000 ] - [ -0.0039582500000000, -0.0006611400000000, 0.0003462500000000 ]- atom: 25 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0004337600000000, -0.0006102400000000, -0.0002096000000000 ] - [ 0.0001422600000000, 0.0008859000000000, -0.0010436400000000 ] - [ 0.0079943700000000, -0.0004191700000000, 0.0002253300000000 ] - [ -0.0018888600000000, -0.0002488300000000, 0.0004836200000000 ] - [ 0.0014002800000000, -0.0004570400000000, -0.0004283400000000 ] - [ -0.0012400400000000, 0.0003932000000000, 0.0006042400000000 ] - [ -0.0013191000000000, -0.0001703400000000, -0.0011662300000000 ] - [ 0.0002531400000000, 0.0002764900000000, 0.0017853000000000 ] - [ -0.0007899500000000, -0.0018943700000000, -0.0052154800000000 ] - [ -0.0007701500000000, 0.0003587600000000, 0.0006258800000000 ] - [ 0.0000554500000000, 0.0012020400000000, 0.0003736400000000 ] - [ -0.0009839100000000, 0.0002000400000000, -0.0007542300000000 ] - [ -0.0014355000000000, 0.0006049300000000, -0.0022888500000000 ] - [ -0.0015323100000000, -0.0006131700000000, 0.0004543900000000 ] - [ 0.0019578100000000, -0.0001232900000000, 0.0006616700000000 ] - [ -0.0007712200000000, 0.0000834100000000, -0.0002211200000000 ] - [ 0.0061495600000000, 0.0087740200000000, -0.0058066300000000 ] - [ -0.0015427300000000, 0.0001253000000000, 0.0008872900000000 ] - [ -0.0007009600000000, 0.0005924500000000, -0.0008079800000000 ] - [ 0.0011464300000000, -0.0001105800000000, 0.0006009300000000 ] - [ -0.0008580900000000, 0.0000170900000000, -0.0000912300000000 ] - [ 0.0004472800000000, -0.0010148200000000, -0.0020275600000000 ] - [ 0.0013528500000000, -0.0002777300000000, 0.0007562500000000 ] - [ -0.0010549300000000, -0.0003551700000000, 0.0004173800000000 ] - [ 0.1431182000000000, -0.1277468700000000, 0.0774976800000000 ] - [ -0.0019648200000000, 0.0000287700000000, 0.0003012100000000 ] - [ -0.0005643200000000, -0.0006585300000000, -0.0007832300000000 ] - [ 0.0005401900000000, -0.0003513100000000, -0.0002840000000000 ] - [ 0.0020908300000000, 0.0001209600000000, 0.0027700400000000 ] - [ -0.0006691300000000, -0.0009322800000000, 0.0003515500000000 ] - [ -0.0005951500000000, 0.0007738500000000, -0.0010055800000000 ] - [ 0.0004020000000000, 0.0000361200000000, -0.0009147400000000 ] - [ 0.0011486500000000, 0.0004391700000000, -0.0016790000000000 ] - [ -0.0008315000000000, 0.0006030600000000, -0.0008580800000000 ] - [ -0.0006384300000000, 0.0006916700000000, 0.0005914300000000 ] - [ 0.0005192600000000, 0.0004880200000000, 0.0000812300000000 ] - [ -0.0016181200000000, 0.0006329500000000, 0.0006710100000000 ] - [ -0.0011768600000000, -0.0044544200000000, 0.0012237900000000 ] - [ 0.0075359000000000, 0.0029830700000000, 0.0003349000000000 ] - [ -0.0015716800000000, -0.0010807300000000, -0.0008644500000000 ] - [ -0.0001753800000000, 0.0113602500000000, -0.0016555000000000 ] - [ -0.0004790800000000, -0.0011977500000000, 0.0001127900000000 ] - [ -0.0009461100000000, -0.0037260800000000, 0.0006632400000000 ] - [ -0.0049328400000000, 0.0031262700000000, 0.0000548800000000 ] - [ -0.0007782700000000, -0.0000407500000000, -0.0007157500000000 ] - [ -0.0008936700000000, 0.0009131200000000, -0.0000116400000000 ] - [ 0.0011155700000000, 0.0012777900000000, -0.0000423600000000 ] - [ 0.0000734900000000, 0.0007081300000000, -0.0001487700000000 ] - [ -0.0007234300000000, -0.0002967100000000, 0.0004488600000000 ] - [ 0.0008202800000000, -0.0000178900000000, 0.0002193600000000 ] - [ 0.0017538700000000, -0.0001272100000000, -0.0008709500000000 ] - [ -0.0015474700000000, -0.0001914700000000, -0.0005016500000000 ] - [ 0.0034385700000000, 0.0006597200000000, 0.0001425200000000 ] - [ -0.0020342900000000, 0.0003683500000000, -0.0004674200000000 ] - [ -0.0051195900000000, -0.0017050800000000, 0.0010043400000000 ] - [ -0.0369753900000000, 0.0200637700000000, -0.0030982600000000 ] - [ 0.0011865700000000, -0.0002051400000000, -0.0010835100000000 ] - [ -0.0004740600000000, -0.0008666900000000, -0.0000126500000000 ] - [ -0.0000536400000000, -0.0007455200000000, -0.0001521400000000 ] - [ -0.0004740200000000, -0.0004457500000000, 0.0001003100000000 ] - [ -0.0194600500000000, -0.0018853000000000, 0.0015935200000000 ] - [ -0.0043868300000000, -0.0016633000000000, 0.0015152900000000 ] - [ 0.0014678000000000, 0.0024132500000000, 0.0002440100000000 ] - [ -0.0008375500000000, 0.0013206800000000, 0.0002510900000000 ] - [ 0.0014679500000000, 0.0017405300000000, -0.0003155300000000 ] - [ -0.0003243600000000, 0.0007460000000000, 0.0008212700000000 ] - [ -0.0011203800000000, -0.0009108700000000, 0.0021156700000000 ] - [ -0.0032264500000000, 0.0007456100000000, -0.0036885500000000 ] - [ -0.0004757600000000, -0.0010216800000000, -0.0009053300000000 ] - [ -0.0007716600000000, -0.0004230200000000, -0.0002575400000000 ] - [ 0.0006561000000000, 0.0009531800000000, 0.0005499900000000 ] - [ -0.0007040600000000, 0.0002922500000000, 0.0004328100000000 ] - [ -0.0735535600000000, 0.0775859500000000, -0.0306589700000000 ] - [ 0.0043251200000000, -0.0001411700000000, -0.0010866100000000 ] - [ 0.0012309100000000, -0.0009496900000000, 0.0009750600000000 ] - [ -0.0033868400000000, 0.0018707500000000, -0.0012939200000000 ] - [ 0.0008034700000000, -0.0001998200000000, 0.0003695400000000 ] - [ -0.0023459100000000, 0.0002564300000000, 0.0024218300000000 ] - [ -0.0006169400000000, -0.0003683900000000, -0.0003406500000000 ] - [ 0.0016735900000000, 0.0002656500000000, -0.0005101900000000 ] - [ 0.0047225100000000, 0.0097460000000000, -0.0050829600000000 ] - [ 0.0134814500000000, 0.0007308000000000, 0.0040394700000000 ] - [ -0.0041643800000000, -0.0052246600000000, 0.0016942200000000 ] - [ 0.0025508400000000, 0.0000099300000000, -0.0002162000000000 ] - [ -0.0008931600000000, -0.0005553400000000, -0.0004286700000000 ] - [ 0.0021551400000000, 0.0002467500000000, 0.0005006300000000 ] - [ -0.0002907600000000, 0.0008388800000000, 0.0003445300000000 ] - [ -0.0009112900000000, -0.0004096900000000, -0.0003416100000000 ] - [ 0.0038913600000000, -0.0009795400000000, 0.0016978300000000 ] - [ 0.0049504500000000, 0.0050503400000000, -0.0085954600000000 ] - [ -0.0023344600000000, -0.0021314000000000, -0.0001466100000000 ] - [ 0.0009339600000000, 0.0003430600000000, -0.0000582800000000 ] - [ -0.0034450900000000, 0.0008751300000000, 0.0004528700000000 ] - [ 0.0010707800000000, -0.0002251400000000, 0.0002116600000000 ] - [ 0.0010897900000000, -0.0002343400000000, -0.0001122600000000 ] - [ 0.0000496500000000, -0.0002716500000000, 0.0005191600000000 ] - [ -0.0019045500000000, 0.0018917400000000, -0.0002846100000000 ] - [ 0.0021814200000000, 0.0001834300000000, -0.0003101900000000 ] - [ 0.0014354800000000, -0.0023773300000000, -0.0036426700000000 ] - [ 0.0012119600000000, 0.0016575200000000, 0.0008699700000000 ] - [ -0.0003106500000000, -0.0010889600000000, 0.0005084900000000 ] - [ -0.0002256800000000, -0.0002844900000000, -0.0004625500000000 ] - [ -0.0029000000000000, 0.0009365000000000, 0.0000334300000000 ] - [ 0.0023932600000000, -0.0006454600000000, 0.0008994400000000 ] - [ 0.0012070600000000, 0.0009965800000000, 0.0000784900000000 ] - [ -0.0004657200000000, -0.0024727100000000, -0.0034578000000000 ] - [ -0.0073898700000000, 0.0020085300000000, 0.0005418600000000 ] - [ 0.0016265100000000, 0.0001800400000000, 0.0001743600000000 ] - [ -0.0014255700000000, -0.0010936700000000, 0.0009643300000000 ] - [ 0.0011016000000000, -0.0003033200000000, 0.0004712200000000 ] - [ 0.0012629900000000, 0.0001860400000000, -0.0008279100000000 ] - [ 0.0003731700000000, -0.0009251900000000, 0.0023424000000000 ] - [ -0.0023822700000000, -0.0005196600000000, -0.0005518800000000 ] - [ 0.0012429800000000, -0.0003524100000000, -0.0001732300000000 ] - [ 0.0025498300000000, -0.0003644700000000, 0.0040503800000000 ] - [ 0.0014637600000000, 0.0000798000000000, -0.0000157200000000 ] - [ -0.0000209100000000, 0.0009257800000000, -0.0008707400000000 ] - [ 0.0015848200000000, -0.0021644100000000, 0.0018594100000000 ] - [ -0.0333411600000000, 0.0066644100000000, -0.0263146000000000 ] - [ 0.0033761300000000, 0.0007418400000000, -0.0018275100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001969600000000, 0.0000586100000000, -0.0005378500000000 ] - [ -0.0013919600000000, 0.0019681400000000, -0.0010086200000000 ] - [ 0.0032679300000000, 0.0002718300000000, -0.0131991300000000 ] - [ -0.0005657100000000, -0.0004120300000000, 0.0005010600000000 ] - [ -0.0007153900000000, 0.0056148300000000, 0.0022087600000000 ] - [ -0.0005369900000000, 0.0004892000000000, 0.0005345700000000 ] - [ -0.0000410600000000, -0.0002972300000000, -0.0005984400000000 ] - [ 0.0001675500000000, -0.0017456700000000, 0.0006863700000000 ] - [ 0.0015809700000000, -0.0030810000000000, 0.0016665100000000 ] - [ 0.0000217300000000, -0.0000233200000000, 0.0004559100000000 ] - [ -0.0006198600000000, 0.0016466100000000, 0.0001721900000000 ] - [ -0.0003289400000000, 0.0011427300000000, -0.0003453300000000 ] - [ -0.0015903700000000, -0.0014139100000000, -0.0015128400000000 ] - [ 0.0002875100000000, -0.0007920700000000, -0.0004509200000000 ] - [ 0.0015702500000000, 0.0017311200000000, -0.0003551700000000 ] - [ -0.0003025400000000, 0.0001754700000000, -0.0000244600000000 ] - [ -0.0067781100000000, 0.0098378700000000, -0.0159372100000000 ] - [ -0.0004965700000000, 0.0001614400000000, 0.0006166400000000 ] - [ -0.0003995900000000, 0.0005010700000000, -0.0006148500000000 ] - [ 0.0012078400000000, 0.0015382700000000, -0.0009219900000000 ] - [ -0.0004506600000000, -0.0002670400000000, -0.0002387100000000 ] - [ 0.0022250300000000, -0.0011101400000000, 0.0012496200000000 ] - [ 0.0001677100000000, 0.0004702100000000, 0.0025666700000000 ] - [ -0.0003542900000000, -0.0002356300000000, 0.0005381000000000 ] - [ 0.1249976000000000, -0.2590617200000000, 0.0783696200000000 ] - [ -0.0005359100000000, -0.0005882500000000, 0.0006434200000000 ] - [ -0.0001507600000000, 0.0001005300000000, -0.0006463200000000 ] - [ 0.0001614400000000, 0.0028431500000000, -0.0002902600000000 ] - [ -0.0009820400000000, -0.0019937100000000, 0.0042426900000000 ] - [ 0.0002350900000000, -0.0009758500000000, 0.0006705800000000 ] - [ -0.0002614400000000, 0.0002671700000000, -0.0008696000000000 ] - [ 0.0004741600000000, -0.0009890300000000, -0.0005910800000000 ] - [ 0.0005716800000000, 0.0006728100000000, -0.0024613700000000 ] - [ -0.0002076800000000, 0.0005572400000000, -0.0008239600000000 ] - [ -0.0004423900000000, 0.0006079100000000, 0.0005392300000000 ] - [ 0.0006020700000000, 0.0008366200000000, 0.0005467400000000 ] - [ -0.0011423500000000, -0.0003184400000000, 0.0005967500000000 ] - [ 0.0042426000000000, 0.0024399300000000, 0.0001959400000000 ] - [ -0.0068152500000000, 0.0262891800000000, 0.0016541700000000 ] - [ -0.0003794400000000, -0.0006737200000000, -0.0007233100000000 ] - [ -0.0081837800000000, 0.0175694300000000, -0.0035579300000000 ] - [ 0.0006156600000000, -0.0008917000000000, -0.0000741900000000 ] - [ 0.0009591600000000, -0.0009094500000000, -0.0001171800000000 ] - [ -0.0028283700000000, 0.0009525000000000, 0.0000123000000000 ] - [ -0.0002806900000000, 0.0006601000000000, -0.0001810300000000 ] - [ -0.0009830000000000, 0.0006375500000000, -0.0003491900000000 ] - [ 0.0003750900000000, 0.0012958000000000, 0.0000537900000000 ] - [ 0.0005568100000000, 0.0007724800000000, -0.0001611800000000 ] - [ 0.0000169300000000, -0.0000513700000000, 0.0005346900000000 ] - [ 0.0000442100000000, 0.0004869000000000, 0.0004195300000000 ] - [ 0.0006188200000000, -0.0007258600000000, -0.0011512400000000 ] - [ -0.0006276600000000, -0.0002708500000000, -0.0003992500000000 ] - [ 0.0017543600000000, 0.0041361900000000, -0.0006123000000000 ] - [ -0.0008160900000000, 0.0004423400000000, -0.0003816600000000 ] - [ -0.0009741600000000, -0.0006291100000000, 0.0007403400000000 ] - [ -0.0202653600000000, 0.0011327800000000, -0.0009156200000000 ] - [ -0.0000680900000000, -0.0020626200000000, 0.0001757800000000 ] - [ 0.0000913300000000, -0.0009391600000000, -0.0001457700000000 ] - [ -0.0002987600000000, -0.0000834300000000, 0.0000579900000000 ] - [ -0.0004101300000000, -0.0000909300000000, 0.0002272600000000 ] - [ -0.0040954500000000, -0.0049264700000000, 0.0022541400000000 ] - [ -0.0022254200000000, -0.0016905800000000, 0.0013265100000000 ] - [ 0.0011596800000000, 0.0058780400000000, 0.0006574900000000 ] - [ -0.0001694500000000, 0.0012237200000000, 0.0001005100000000 ] - [ 0.0006256000000000, 0.0032958900000000, -0.0009842000000000 ] - [ 0.0002552000000000, 0.0009188400000000, 0.0007526300000000 ] - [ 0.0002313200000000, -0.0003725000000000, -0.0000849400000000 ] - [ -0.0024813900000000, 0.0001390800000000, -0.0020055700000000 ] - [ 0.0001473700000000, -0.0002228900000000, -0.0002420000000000 ] - [ -0.0010501400000000, -0.0001309600000000, -0.0000638900000000 ] - [ 0.0004422600000000, 0.0022128700000000, 0.0011767500000000 ] - [ -0.0002171600000000, 0.0006026200000000, 0.0006185800000000 ] - [ -0.0737459200000000, 0.1873751800000000, -0.0467375200000000 ] - [ 0.0013234200000000, 0.0000292100000000, -0.0007905300000000 ] - [ 0.0004514800000000, -0.0009452600000000, 0.0007117900000000 ] - [ -0.0024229400000000, -0.0052467900000000, 0.0016241100000000 ] - [ -0.0000211300000000, 0.0002599600000000, 0.0004893300000000 ] - [ -0.0018271300000000, 0.0014841900000000, -0.0000538600000000 ] - [ 0.0001241600000000, -0.0020414000000000, -0.0013542700000000 ] - [ 0.0007890800000000, 0.0000120600000000, -0.0006049100000000 ] - [ -0.0019978900000000, 0.0038511800000000, -0.0012960800000000 ] - [ 0.0077324400000000, 0.0010388800000000, 0.0015228300000000 ] - [ -0.0028012900000000, -0.0109988700000000, 0.0028055200000000 ] - [ 0.0012693100000000, -0.0004641600000000, -0.0001016400000000 ] - [ 0.0009240200000000, 0.0006645000000000, -0.0012268200000000 ] - [ 0.0011728500000000, 0.0002137600000000, 0.0001527300000000 ] - [ -0.0007520300000000, -0.0003886400000000, -0.0002718300000000 ] - [ -0.0004644400000000, -0.0004813300000000, -0.0002874800000000 ] - [ 0.0016011500000000, 0.0004758700000000, 0.0002197300000000 ] - [ -0.0056712500000000, 0.0049193200000000, 0.0010352800000000 ] - [ -0.0016633300000000, -0.0083023300000000, 0.0033591200000000 ] - [ -0.0000097400000000, -0.0000124000000000, -0.0000372600000000 ] - [ -0.0010798500000000, 0.0039313300000000, 0.0005314700000000 ] - [ -0.0000501400000000, 0.0000177100000000, 0.0000758200000000 ] - [ 0.0008195000000000, -0.0005359500000000, -0.0000759600000000 ] - [ -0.0003180300000000, -0.0018860400000000, 0.0000757200000000 ] - [ -0.0046662200000000, -0.0025703500000000, -0.0037949400000000 ] - [ 0.0013068300000000, 0.0002361600000000, -0.0000528000000000 ] - [ 0.0027084500000000, 0.0005916500000000, -0.0022894800000000 ] - [ -0.0018219500000000, 0.0016718700000000, -0.0005460500000000 ] - [ 0.0004326400000000, -0.0011413500000000, 0.0005655900000000 ] - [ -0.0011585200000000, -0.0009129100000000, -0.0000482000000000 ] - [ -0.0034220500000000, 0.0008590300000000, 0.0031977100000000 ] - [ 0.0014434800000000, -0.0003441700000000, 0.0006702000000000 ] - [ -0.0000908200000000, 0.0002819400000000, -0.0004530300000000 ] - [ 0.0042482800000000, -0.0015548300000000, -0.0046583300000000 ] - [ -0.0007662400000000, 0.0047260500000000, -0.0016035800000000 ] - [ 0.0005623400000000, 0.0003079300000000, 0.0002647700000000 ] - [ -0.0006737700000000, -0.0028360800000000, 0.0021210900000000 ] - [ 0.0003943800000000, -0.0003430500000000, 0.0004511600000000 ] - [ 0.0000688000000000, -0.0000617200000000, -0.0002946700000000 ] - [ 0.0030701500000000, -0.0001463500000000, 0.0031608900000000 ] - [ 0.0002429000000000, -0.0024709200000000, -0.0010358500000000 ] - [ 0.0001250400000000, -0.0006784400000000, -0.0005517600000000 ] - [ 0.0003112900000000, 0.0019751300000000, 0.0010733400000000 ] - [ 0.0005308400000000, 0.0010605800000000, 0.0007122300000000 ] - [ -0.0000911400000000, -0.0022356800000000, 0.0003442200000000 ] - [ 0.0016127800000000, -0.0023195100000000, 0.0007320800000000 ] - [ -0.0066582800000000, 0.0174187500000000, -0.0104069000000000 ] - [ 0.0005009900000000, 0.0009138700000000, -0.0015082900000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001927400000000, -0.0005468600000000, -0.0004602900000000 ] - [ 0.0017939400000000, -0.0024597300000000, 0.0000135200000000 ] - [ -0.0036512800000000, -0.0008543900000000, 0.0141960300000000 ] - [ 0.0001797500000000, -0.0000821000000000, 0.0004987100000000 ] - [ 0.0003117900000000, -0.0051093800000000, -0.0011909500000000 ] - [ 0.0001486300000000, 0.0000014100000000, 0.0004641100000000 ] - [ 0.0004436700000000, 0.0007923000000000, -0.0003980300000000 ] - [ 0.0002172400000000, 0.0022485700000000, -0.0016842000000000 ] - [ -0.0009143900000000, 0.0037187400000000, -0.0010286200000000 ] - [ 0.0006232700000000, 0.0006226600000000, 0.0001313700000000 ] - [ -0.0000297100000000, -0.0010532100000000, -0.0007561800000000 ] - [ -0.0003076300000000, -0.0005457400000000, -0.0002394600000000 ] - [ 0.0009703300000000, 0.0007991000000000, 0.0009410000000000 ] - [ -0.0009305600000000, 0.0001925000000000, -0.0001335800000000 ] - [ -0.0009404500000000, -0.0023266700000000, 0.0009477800000000 ] - [ 0.0009499500000000, -0.0007719700000000, 0.0006126500000000 ] - [ 0.0066043100000000, -0.0093940700000000, 0.0171461800000000 ] - [ 0.0002615800000000, 0.0003402600000000, 0.0003950100000000 ] - [ 0.0006398400000000, -0.0000043400000000, -0.0003991200000000 ] - [ -0.0009713900000000, -0.0010472900000000, -0.0001021800000000 ] - [ 0.0006924700000000, -0.0002350000000000, -0.0007770800000000 ] - [ -0.0019743600000000, 0.0006022800000000, -0.0022484600000000 ] - [ -0.0004113000000000, -0.0009658800000000, -0.0015680600000000 ] - [ 0.0001176100000000, -0.0002632000000000, 0.0004740700000000 ] - [ -0.1314690600000000, 0.2678115400000000, -0.0810914100000000 ] - [ 0.0004948600000000, -0.0003911700000000, 0.0007722800000000 ] - [ 0.0001926400000000, -0.0010764400000000, -0.0007711700000000 ] - [ -0.0001028500000000, -0.0038235300000000, -0.0011263300000000 ] - [ 0.0017278300000000, 0.0005738400000000, -0.0029131400000000 ] - [ 0.0005244000000000, -0.0004254900000000, 0.0006614100000000 ] - [ 0.0003119000000000, 0.0007070300000000, -0.0005426500000000 ] - [ -0.0004272000000000, 0.0019641700000000, -0.0008192100000000 ] - [ -0.0004156000000000, 0.0004394100000000, 0.0011097500000000 ] - [ 0.0003713100000000, 0.0005502300000000, -0.0005325000000000 ] - [ 0.0002827100000000, 0.0004962100000000, 0.0008199200000000 ] - [ -0.0007659700000000, 0.0002693100000000, 0.0008173500000000 ] - [ 0.0009827000000000, -0.0007980900000000, 0.0007593800000000 ] - [ -0.0043721300000000, -0.0035446200000000, 0.0011568700000000 ] - [ 0.0071150900000000, -0.0278841000000000, -0.0030862700000000 ] - [ 0.0005461700000000, -0.0004288700000000, -0.0006334700000000 ] - [ 0.0091632900000000, -0.0187470200000000, 0.0034323400000000 ] - [ 0.0005608300000000, -0.0005201500000000, -0.0000282800000000 ] - [ -0.0021442200000000, -0.0004786700000000, 0.0002157400000000 ] - [ 0.0016529300000000, -0.0023553200000000, 0.0000901000000000 ] - [ -0.0008905000000000, 0.0007592100000000, 0.0002906700000000 ] - [ -0.0001883000000000, 0.0007733900000000, 0.0004534500000000 ] - [ 0.0007960100000000, 0.0001052200000000, -0.0001504300000000 ] - [ 0.0006187300000000, 0.0006357600000000, 0.0000616700000000 ] - [ 0.0003025400000000, -0.0002948800000000, 0.0003634200000000 ] - [ 0.0002749400000000, -0.0008348700000000, 0.0004800900000000 ] - [ -0.0009460000000000, 0.0003757000000000, 0.0002614800000000 ] - [ 0.0003147100000000, -0.0000778600000000, -0.0004992300000000 ] - [ -0.0020691000000000, -0.0037919700000000, -0.0002964400000000 ] - [ 0.0005012700000000, -0.0000963000000000, -0.0005178300000000 ] - [ 0.0013167000000000, 0.0009918300000000, 0.0001544500000000 ] - [ 0.0206306400000000, -0.0006984100000000, 0.0017942000000000 ] - [ 0.0005676200000000, 0.0007834300000000, -0.0003587300000000 ] - [ 0.0004165000000000, -0.0003341400000000, -0.0000498300000000 ] - [ -0.0002086400000000, -0.0011890500000000, 0.0001411700000000 ] - [ -0.0000919700000000, -0.0011837800000000, -0.0000309700000000 ] - [ 0.0037083800000000, 0.0061997900000000, -0.0020700500000000 ] - [ 0.0017235800000000, 0.0029680500000000, -0.0011357600000000 ] - [ -0.0006664600000000, -0.0045925100000000, -0.0008503800000000 ] - [ 0.0006790700000000, 0.0000499500000000, -0.0002979000000000 ] - [ 0.0001327200000000, -0.0019008400000000, 0.0022931800000000 ] - [ 0.0005031100000000, 0.0004805800000000, 0.0005760600000000 ] - [ -0.0009851900000000, 0.0017860100000000, -0.0012582600000000 ] - [ 0.0017291700000000, 0.0012625100000000, 0.0006774100000000 ] - [ -0.0009078100000000, -0.0011737200000000, -0.0010897200000000 ] - [ 0.0003001200000000, -0.0012708200000000, -0.0012705100000000 ] - [ -0.0004905100000000, -0.0012412500000000, 0.0002435100000000 ] - [ 0.0001733500000000, 0.0003761300000000, 0.0007989400000000 ] - [ 0.0810162200000000, -0.1974498400000000, 0.0492843300000000 ] - [ -0.0002532700000000, -0.0002387600000000, -0.0004956400000000 ] - [ -0.0015351300000000, 0.0007429000000000, 0.0005772700000000 ] - [ 0.0013221000000000, 0.0050398500000000, -0.0003148700000000 ] - [ -0.0010697500000000, -0.0000470900000000, 0.0008002100000000 ] - [ 0.0007507100000000, -0.0012712700000000, 0.0013246900000000 ] - [ 0.0009636700000000, 0.0022491000000000, 0.0000707000000000 ] - [ 0.0002931700000000, 0.0001944400000000, -0.0006851500000000 ] - [ 0.0003382700000000, -0.0039411200000000, 0.0011899900000000 ] - [ -0.0093552500000000, -0.0010482000000000, -0.0016540200000000 ] - [ 0.0044372600000000, 0.0109850000000000, -0.0026422800000000 ] - [ 0.0003654600000000, 0.0004569400000000, 0.0002396000000000 ] - [ 0.0007214700000000, -0.0006464700000000, 0.0013554200000000 ] - [ 0.0004628300000000, -0.0002030300000000, -0.0000191900000000 ] - [ -0.0008882400000000, 0.0003873900000000, 0.0001357500000000 ] - [ -0.0011780100000000, 0.0004905000000000, 0.0001523000000000 ] - [ -0.0007178500000000, -0.0001195000000000, -0.0003206200000000 ] - [ 0.0066304300000000, -0.0045397000000000, -0.0011397500000000 ] - [ 0.0007637500000000, 0.0086728000000000, -0.0032967200000000 ] - [ -0.0008939100000000, 0.0003558900000000, 0.0001314800000000 ] - [ 0.0001971600000000, -0.0043005500000000, -0.0004613400000000 ] - [ -0.0008572100000000, -0.0003636700000000, 0.0000147600000000 ] - [ 0.0000827100000000, 0.0001914600000000, -0.0000195100000000 ] - [ 0.0012140800000000, 0.0015402100000000, -0.0001772700000000 ] - [ 0.0057516600000000, 0.0034125400000000, 0.0043119500000000 ] - [ -0.0002700000000000, 0.0006162300000000, 0.0005287600000000 ] - [ -0.0037443500000000, 0.0002894300000000, 0.0018203100000000 ] - [ 0.0007720000000000, -0.0008131300000000, 0.0000695600000000 ] - [ -0.0014723800000000, 0.0002954200000000, -0.0010407000000000 ] - [ 0.0001140700000000, 0.0000612500000000, -0.0004282500000000 ] - [ 0.0044832900000000, -0.0017280500000000, -0.0027266900000000 ] - [ -0.0004059100000000, -0.0005116000000000, -0.0001939000000000 ] - [ 0.0000719000000000, 0.0001923900000000, -0.0002731600000000 ] - [ -0.0042980100000000, 0.0020305900000000, 0.0039544700000000 ] - [ 0.0009053400000000, -0.0038119300000000, 0.0026787300000000 ] - [ -0.0005493100000000, 0.0001772800000000, 0.0004633300000000 ] - [ 0.0006950600000000, 0.0023773300000000, -0.0014017300000000 ] - [ -0.0003786100000000, -0.0001386200000000, 0.0002751900000000 ] - [ -0.0000910700000000, -0.0004257000000000, -0.0004317000000000 ] - [ -0.0030961600000000, -0.0003388500000000, -0.0038945300000000 ] - [ -0.0008062400000000, 0.0023929200000000, -0.0004646200000000 ] - [ -0.0007117200000000, 0.0005959600000000, -0.0009361400000000 ] - [ 0.0002417400000000, -0.0020502600000000, 0.0003798200000000 ] - [ 0.0000462100000000, -0.0011455900000000, 0.0007668200000000 ] - [ 0.0006906900000000, 0.0023091300000000, 0.0011371200000000 ] - [ -0.0010498900000000, 0.0023990000000000, 0.0007515200000000 ] - [ 0.0058855700000000, -0.0173568000000000, 0.0087391600000000 ] - [ -0.0010849200000000, -0.0008296300000000, 0.0000259600000000 ]- atom: 25 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ -0.0000390800000000, -0.0002053600000000, -0.0005287400000000 ] - [ 0.0018666700000000, -0.0018639100000000, -0.0008621500000000 ] - [ -0.0037460300000000, -0.0103871300000000, 0.0185385500000000 ] - [ 0.0001635000000000, -0.0003296100000000, 0.0004911200000000 ] - [ -0.0013025200000000, 0.0026523700000000, 0.0023418200000000 ] - [ 0.0000772900000000, 0.0001618500000000, 0.0004850100000000 ] - [ 0.0016474300000000, 0.0004884900000000, -0.0004779700000000 ] - [ -0.0015549100000000, 0.0012261000000000, -0.0001501700000000 ] - [ 0.0049565700000000, 0.0029339000000000, 0.0061711400000000 ] - [ 0.0002769300000000, 0.0004625800000000, 0.0001417600000000 ] - [ -0.0009639400000000, 0.0001464400000000, -0.0006808800000000 ] - [ 0.0002464700000000, 0.0001467800000000, -0.0001950800000000 ] - [ 0.0025614300000000, -0.0013398400000000, 0.0010843800000000 ] - [ -0.0010397500000000, -0.0003288300000000, -0.0000683200000000 ] - [ -0.0012543600000000, -0.0014362200000000, 0.0001601000000000 ] - [ 0.0009135400000000, -0.0003920400000000, 0.0005103000000000 ] - [ 0.0080790300000000, -0.0233750100000000, 0.0158964800000000 ] - [ 0.0001655800000000, 0.0003321300000000, 0.0003002300000000 ] - [ 0.0005015900000000, 0.0000421000000000, -0.0006417500000000 ] - [ -0.0011230400000000, -0.0008207000000000, -0.0015551100000000 ] - [ 0.0000386700000000, -0.0003330100000000, -0.0003153300000000 ] - [ 0.0015297500000000, 0.0004131700000000, 0.0018406400000000 ] - [ -0.0007951700000000, 0.0002604800000000, 0.0014818500000000 ] - [ 0.0001845200000000, -0.0001304900000000, 0.0006264300000000 ] - [ -0.0724437800000000, 0.0759690200000000, -0.1146596500000000 ] - [ 0.0003411700000000, -0.0005392400000000, 0.0006196200000000 ] - [ 0.0000861800000000, -0.0005515500000000, -0.0009785600000000 ] - [ -0.0003903800000000, -0.0008952400000000, -0.0016450900000000 ] - [ -0.0026944500000000, 0.0014166600000000, 0.0069587100000000 ] - [ 0.0007460000000000, -0.0006603800000000, 0.0008542300000000 ] - [ 0.0003059400000000, 0.0003286700000000, -0.0000741200000000 ] - [ 0.0002388400000000, 0.0005873600000000, 0.0006851000000000 ] - [ -0.0002726900000000, 0.0004455400000000, 0.0025746600000000 ] - [ 0.0003354300000000, 0.0005623300000000, -0.0004278300000000 ] - [ 0.0001405600000000, 0.0004594000000000, 0.0010573100000000 ] - [ -0.0006265100000000, 0.0006965700000000, 0.0022494800000000 ] - [ 0.0001191500000000, -0.0008058100000000, 0.0002497100000000 ] - [ 0.0004338200000000, -0.0000080100000000, -0.0015725800000000 ] - [ -0.0017426300000000, 0.0053879100000000, -0.0082201500000000 ] - [ 0.0004917700000000, -0.0003836800000000, -0.0008078000000000 ] - [ 0.0007686500000000, -0.0042498600000000, -0.0033904500000000 ] - [ 0.0008197200000000, -0.0007014000000000, -0.0003168400000000 ] - [ -0.0007540900000000, -0.0001685700000000, -0.0009938000000000 ] - [ 0.0004404500000000, -0.0014814100000000, -0.0002295300000000 ] - [ -0.0004895200000000, 0.0014221700000000, 0.0015845900000000 ] - [ -0.0002602900000000, 0.0008238400000000, 0.0008243300000000 ] - [ 0.0005386600000000, 0.0010680100000000, 0.0022685600000000 ] - [ 0.0007254900000000, 0.0006260900000000, 0.0001885300000000 ] - [ 0.0005011800000000, -0.0000528400000000, 0.0006747300000000 ] - [ 0.0001303800000000, -0.0004085800000000, 0.0011840000000000 ] - [ -0.0003456700000000, -0.0001901300000000, 0.0027431600000000 ] - [ 0.0002062100000000, -0.0002253000000000, -0.0002796700000000 ] - [ -0.0011232800000000, -0.0001038600000000, -0.0019134200000000 ] - [ 0.0002692700000000, 0.0000932200000000, -0.0005827100000000 ] - [ 0.0012978100000000, 0.0008290500000000, -0.0000944600000000 ] - [ 0.0051339100000000, -0.0023992900000000, -0.0076076300000000 ] - [ -0.0003697400000000, -0.0016037600000000, 0.0033746200000000 ] - [ 0.0004455000000000, -0.0005734600000000, 0.0001406000000000 ] - [ -0.0005788800000000, -0.0003870600000000, 0.0007567600000000 ] - [ -0.0000968100000000, -0.0007045800000000, 0.0003960000000000 ] - [ 0.0032189600000000, 0.0027061100000000, -0.0055163600000000 ] - [ 0.0004981800000000, 0.0015880700000000, -0.0009285200000000 ] - [ 0.0001990500000000, -0.0003070100000000, -0.0011979300000000 ] - [ 0.0005593100000000, 0.0003873300000000, -0.0003785700000000 ] - [ 0.0007413300000000, -0.0004139000000000, 0.0002501200000000 ] - [ 0.0004802200000000, 0.0006142400000000, 0.0005351500000000 ] - [ -0.0018402800000000, 0.0009132600000000, -0.0018853000000000 ] - [ 0.0008577700000000, 0.0007699500000000, -0.0009516800000000 ] - [ 0.0000053000000000, -0.0003189900000000, -0.0002796200000000 ] - [ -0.0004066200000000, -0.0007149800000000, -0.0004725600000000 ] - [ 0.0001491900000000, 0.0000322000000000, 0.0021090700000000 ] - [ 0.0002360300000000, 0.0005719100000000, 0.0009278800000000 ] - [ 0.0258586900000000, -0.0423236600000000, 0.0511167800000000 ] - [ -0.0002484500000000, -0.0001591200000000, -0.0002243600000000 ] - [ -0.0010067200000000, 0.0001747800000000, 0.0009903400000000 ] - [ 0.0003052300000000, 0.0002328300000000, 0.0029746500000000 ] - [ -0.0008383100000000, 0.0003400000000000, 0.0001137300000000 ] - [ 0.0002326400000000, 0.0000379400000000, -0.0027385700000000 ] - [ 0.0008765300000000, 0.0007944400000000, -0.0026811800000000 ] - [ 0.0001487600000000, -0.0000019200000000, -0.0009351400000000 ] - [ -0.0000866300000000, -0.0028690200000000, 0.0032127800000000 ] - [ -0.0042726500000000, -0.0003677600000000, -0.0004140300000000 ] - [ 0.0022198100000000, 0.0027299200000000, 0.0009114500000000 ] - [ 0.0004500900000000, 0.0001717700000000, 0.0003705600000000 ] - [ 0.0002479900000000, 0.0005965300000000, -0.0061564500000000 ] - [ 0.0004341400000000, 0.0000384900000000, -0.0003139000000000 ] - [ -0.0011085400000000, -0.0008214000000000, -0.0008623500000000 ] - [ -0.0010288100000000, 0.0000430400000000, -0.0006815100000000 ] - [ -0.0007490400000000, 0.0005643900000000, 0.0001728300000000 ] - [ 0.0079282000000000, 0.0007918600000000, 0.0020210500000000 ] - [ 0.0002512200000000, 0.0033805200000000, 0.0025401700000000 ] - [ -0.0007498800000000, 0.0001440500000000, 0.0002549300000000 ] - [ 0.0013268300000000, -0.0038799500000000, -0.0049489100000000 ] - [ -0.0010113300000000, -0.0001788400000000, -0.0002776500000000 ] - [ 0.0004943500000000, -0.0001403300000000, -0.0003299700000000 ] - [ 0.0000266200000000, -0.0001209100000000, -0.0009772700000000 ] - [ 0.0006610800000000, -0.0014394900000000, 0.0011056200000000 ] - [ 0.0001277200000000, 0.0003830000000000, 0.0005207800000000 ] - [ 0.0014922200000000, -0.0002001600000000, 0.0015257000000000 ] - [ -0.0015669200000000, 0.0000376600000000, 0.0001127300000000 ] - [ -0.0009907700000000, 0.0002464900000000, -0.0011392600000000 ] - [ -0.0002200800000000, -0.0001606600000000, -0.0006427900000000 ] - [ 0.0052362900000000, 0.0006058500000000, -0.0044387200000000 ] - [ -0.0001825100000000, -0.0004431200000000, -0.0001265500000000 ] - [ -0.0004655700000000, -0.0001806500000000, 0.0000144300000000 ] - [ 0.0008660000000000, 0.0002195100000000, 0.0007190700000000 ] - [ 0.0008399400000000, -0.0023781400000000, 0.0046017000000000 ] - [ -0.0003070600000000, 0.0002799700000000, 0.0005835700000000 ] - [ 0.0005149400000000, 0.0034776600000000, -0.0025830900000000 ] - [ -0.0002967700000000, -0.0001460900000000, 0.0001761000000000 ] - [ 0.0000251200000000, -0.0002610900000000, -0.0008188600000000 ] - [ -0.0039801900000000, 0.0002302300000000, -0.0041884000000000 ] - [ 0.0012619800000000, -0.0001006900000000, -0.0025597600000000 ] - [ -0.0009296100000000, 0.0001341700000000, -0.0012846600000000 ] - [ -0.0030342700000000, 0.0008279300000000, -0.0037861100000000 ] - [ 0.0007544500000000, -0.0002277300000000, -0.0006147300000000 ] - [ 0.0009243100000000, 0.0003044400000000, 0.0023910100000000 ] - [ -0.0008114700000000, 0.0008416300000000, 0.0015852700000000 ] - [ 0.0226954100000000, -0.0088463800000000, 0.0432089000000000 ] - [ -0.0007309900000000, -0.0001562000000000, 0.0001037000000000 ]- atom: 25 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ 0.0004399300000000, -0.0002837900000000, -0.0004791800000000 ] - [ -0.0014619900000000, 0.0013792200000000, -0.0001535300000000 ] - [ 0.0034396800000000, 0.0101015000000000, -0.0178676100000000 ] - [ -0.0005684000000000, -0.0001610100000000, 0.0005173400000000 ] - [ 0.0009005400000000, -0.0021468400000000, -0.0013326400000000 ] - [ -0.0004833400000000, 0.0003296500000000, 0.0005209600000000 ] - [ -0.0012558800000000, 0.0000014000000000, -0.0005238500000000 ] - [ 0.0019677100000000, -0.0007470400000000, -0.0008431600000000 ] - [ -0.0043764200000000, -0.0023882600000000, -0.0056643200000000 ] - [ 0.0003601000000000, 0.0001409300000000, 0.0004485400000000 ] - [ 0.0003235000000000, 0.0004626500000000, 0.0000914900000000 ] - [ -0.0008822900000000, 0.0004603700000000, -0.0003932300000000 ] - [ -0.0031951900000000, 0.0007320700000000, -0.0016571000000000 ] - [ 0.0004068700000000, -0.0002790100000000, -0.0005133400000000 ] - [ 0.0018924000000000, 0.0008323700000000, 0.0004191300000000 ] - [ -0.0002778500000000, -0.0002091100000000, 0.0000728800000000 ] - [ -0.0082280400000000, 0.0235858600000000, -0.0147017100000000 ] - [ -0.0004032200000000, 0.0001820900000000, 0.0007135900000000 ] - [ -0.0002698800000000, 0.0004727300000000, -0.0003707000000000 ] - [ 0.0013688600000000, 0.0013426400000000, 0.0005508800000000 ] - [ 0.0001935200000000, -0.0001791000000000, -0.0007036600000000 ] - [ -0.0012821600000000, -0.0009245200000000, -0.0028558500000000 ] - [ 0.0005665200000000, -0.0007768100000000, -0.0004500500000000 ] - [ -0.0004223100000000, -0.0003838500000000, 0.0003887600000000 ] - [ 0.0742383100000000, -0.0780497600000000, 0.1182392300000000 ] - [ -0.0003919300000000, -0.0004337900000000, 0.0007962400000000 ] - [ -0.0000391600000000, -0.0004202300000000, -0.0004376600000000 ] - [ 0.0004374000000000, -0.0000658200000000, 0.0002303200000000 ] - [ 0.0034304900000000, -0.0027987600000000, -0.0055743500000000 ] - [ 0.0000166700000000, -0.0007472900000000, 0.0004821900000000 ] - [ -0.0002634300000000, 0.0006451800000000, -0.0013444000000000 ] - [ -0.0001840100000000, 0.0003787700000000, -0.0021002700000000 ] - [ 0.0004415000000000, 0.0006522200000000, -0.0039360700000000 ] - [ -0.0001735600000000, 0.0005399000000000, -0.0009335600000000 ] - [ -0.0003093900000000, 0.0006421900000000, 0.0003020400000000 ] - [ 0.0004698900000000, 0.0004086900000000, -0.0008918600000000 ] - [ -0.0002855300000000, -0.0002970300000000, 0.0011099200000000 ] - [ -0.0006003900000000, -0.0011070800000000, 0.0029332900000000 ] - [ 0.0018804800000000, -0.0063691400000000, 0.0068852500000000 ] - [ -0.0003294200000000, -0.0007176500000000, -0.0005521500000000 ] - [ 0.0003978900000000, 0.0028634800000000, 0.0033292400000000 ] - [ 0.0003555400000000, -0.0007161300000000, 0.0002138000000000 ] - [ -0.0004173500000000, -0.0012430000000000, 0.0010959700000000 ] - [ -0.0016481400000000, 0.0000922300000000, 0.0003336400000000 ] - [ -0.0006934300000000, -0.0000156300000000, -0.0014870900000000 ] - [ -0.0009149900000000, 0.0005902400000000, -0.0007194600000000 ] - [ 0.0006346800000000, 0.0003593800000000, -0.0023695900000000 ] - [ 0.0004518700000000, 0.0007899400000000, -0.0002932300000000 ] - [ -0.0001879700000000, -0.0002986400000000, 0.0002363500000000 ] - [ 0.0001934500000000, 0.0000590800000000, -0.0002712600000000 ] - [ 0.0000362700000000, -0.0001601700000000, -0.0036624500000000 ] - [ -0.0005284500000000, -0.0001251400000000, -0.0006318500000000 ] - [ 0.0008109800000000, 0.0004643000000000, 0.0010036900000000 ] - [ -0.0005911900000000, 0.0002581300000000, -0.0003271300000000 ] - [ -0.0009756600000000, -0.0004760300000000, 0.0010037900000000 ] - [ -0.0050750200000000, 0.0028422700000000, 0.0084472600000000 ] - [ 0.0008705300000000, 0.0003290400000000, -0.0035709900000000 ] - [ 0.0000596400000000, -0.0006983000000000, -0.0003358100000000 ] - [ 0.0000726100000000, -0.0008839900000000, -0.0005633500000000 ] - [ -0.0004058900000000, -0.0005648700000000, -0.0002014600000000 ] - [ -0.0037077600000000, -0.0014516900000000, 0.0057563200000000 ] - [ -0.0010262600000000, -0.0003359400000000, 0.0011348800000000 ] - [ 0.0003113700000000, 0.0015900900000000, 0.0010040800000000 ] - [ -0.0000593200000000, 0.0008906300000000, 0.0001864200000000 ] - [ 0.0000193100000000, 0.0018301200000000, 0.0010973700000000 ] - [ 0.0002843700000000, 0.0007929200000000, 0.0008067300000000 ] - [ 0.0010717700000000, 0.0004905200000000, 0.0005410700000000 ] - [ -0.0016361300000000, 0.0006335300000000, -0.0004080900000000 ] - [ -0.0007701800000000, -0.0010886000000000, -0.0010553200000000 ] - [ -0.0003610200000000, -0.0006880700000000, -0.0008609800000000 ] - [ -0.0001959700000000, 0.0009468700000000, -0.0006926100000000 ] - [ -0.0002854300000000, 0.0004012400000000, 0.0004878100000000 ] - [ -0.0247026700000000, 0.0420602000000000, -0.0529543700000000 ] - [ 0.0013428000000000, -0.0000434900000000, -0.0010674900000000 ] - [ -0.0000827800000000, -0.0003784500000000, 0.0002993000000000 ] - [ -0.0014090500000000, -0.0004442600000000, -0.0016992500000000 ] - [ -0.0002487600000000, -0.0001389800000000, 0.0011824700000000 ] - [ -0.0013421900000000, 0.0001680400000000, 0.0040336800000000 ] - [ 0.0002097500000000, -0.0005939600000000, 0.0013810200000000 ] - [ 0.0009485900000000, 0.0002045600000000, -0.0003572800000000 ] - [ -0.0015679400000000, 0.0028488500000000, -0.0033380300000000 ] - [ 0.0027211700000000, 0.0003726500000000, 0.0002984000000000 ] - [ -0.0005725900000000, -0.0027520400000000, -0.0007762400000000 ] - [ 0.0012000400000000, -0.0001814200000000, -0.0002285300000000 ] - [ 0.0013979600000000, -0.0005899500000000, 0.0062954400000000 ] - [ 0.0012142800000000, -0.0000301700000000, 0.0004628200000000 ] - [ -0.0005305700000000, 0.0008360100000000, 0.0007143700000000 ] - [ -0.0006206700000000, -0.0000348700000000, 0.0005311900000000 ] - [ 0.0016529000000000, -0.0002185400000000, -0.0002728800000000 ] - [ -0.0070446400000000, -0.0004233900000000, -0.0021761400000000 ] - [ -0.0011592800000000, -0.0030612200000000, -0.0024169500000000 ] - [ -0.0001485900000000, 0.0001985800000000, -0.0001620400000000 ] - [ -0.0022439400000000, 0.0035645900000000, 0.0050645200000000 ] - [ 0.0001134000000000, -0.0001645700000000, 0.0003682600000000 ] - [ 0.0004114300000000, -0.0002050200000000, 0.0002405900000000 ] - [ 0.0008697000000000, -0.0002311700000000, 0.0008905100000000 ] - [ 0.0003521800000000, 0.0022945200000000, -0.0006620700000000 ] - [ 0.0009212300000000, 0.0004688100000000, -0.0000496900000000 ] - [ -0.0025255300000000, 0.0010559200000000, -0.0019920100000000 ] - [ 0.0005221100000000, 0.0008229900000000, -0.0005815700000000 ] - [ -0.0000452000000000, -0.0011048300000000, 0.0006613100000000 ] - [ -0.0008284700000000, -0.0006947300000000, 0.0001635300000000 ] - [ -0.0041909500000000, -0.0014471000000000, 0.0049161300000000 ] - [ 0.0012306000000000, -0.0004105500000000, 0.0006097800000000 ] - [ 0.0004495200000000, 0.0006650100000000, -0.0007462100000000 ] - [ -0.0008666600000000, 0.0002524700000000, -0.0014841100000000 ] - [ -0.0007735300000000, 0.0030883500000000, -0.0037528100000000 ] - [ 0.0003285200000000, 0.0002039900000000, 0.0001443400000000 ] - [ -0.0004991400000000, -0.0039842700000000, 0.0033173900000000 ] - [ 0.0003187600000000, -0.0003375300000000, 0.0005497500000000 ] - [ -0.0000390800000000, -0.0002209900000000, 0.0000964900000000 ] - [ 0.0039529000000000, -0.0007115400000000, 0.0034746500000000 ] - [ -0.0018388300000000, 0.0000065600000000, 0.0010814200000000 ] - [ 0.0003515900000000, -0.0002204700000000, -0.0001980300000000 ] - [ 0.0036432500000000, -0.0009191900000000, 0.0052840700000000 ] - [ -0.0001811300000000, 0.0001486500000000, 0.0020952000000000 ] - [ -0.0003467300000000, -0.0002276100000000, -0.0008967100000000 ] - [ 0.0013954200000000, -0.0007751900000000, -0.0000850400000000 ] - [ -0.0250807100000000, 0.0097571000000000, -0.0463072200000000 ] - [ 0.0001608400000000, 0.0002453200000000, -0.0016014900000000 ]- atom: 29 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0008530600000000, -0.0002022900000000, -0.0004919400000000 ] - [ 0.0008366500000000, -0.0002334400000000, -0.0007458300000000 ] - [ -0.0019650700000000, -0.0003499700000000, 0.0012758800000000 ] - [ 0.0008856400000000, -0.0001454500000000, 0.0004816900000000 ] - [ -0.0023247100000000, 0.0060041800000000, 0.0015787200000000 ] - [ 0.0012497300000000, -0.0001772600000000, 0.0002824500000000 ] - [ 0.0003877800000000, 0.0005349500000000, -0.0005725200000000 ] - [ 0.0003200800000000, -0.0001783400000000, -0.0002015500000000 ] - [ -0.0011060100000000, 0.0005285400000000, -0.0006439200000000 ] - [ 0.0012010500000000, 0.0002437300000000, 0.0004423000000000 ] - [ -0.0011200200000000, -0.0048765800000000, -0.0003981000000000 ] - [ 0.0009943700000000, 0.0008643900000000, -0.0002142800000000 ] - [ -0.0010817500000000, -0.0004479500000000, -0.0006603900000000 ] - [ 0.0006807300000000, -0.0003924200000000, 0.0000709300000000 ] - [ -0.0019433600000000, -0.0002662400000000, -0.0000007800000000 ] - [ 0.0013514800000000, -0.0002442300000000, 0.0004036200000000 ] - [ -0.0002422900000000, -0.0028642500000000, -0.0008480100000000 ] - [ 0.0009239100000000, 0.0003950200000000, 0.0005463500000000 ] - [ 0.0004165100000000, -0.0001279100000000, 0.0003392700000000 ] - [ 0.0000337700000000, 0.0005755600000000, -0.0010262900000000 ] - [ 0.0039552400000000, -0.0007975200000000, -0.0021329600000000 ] - [ 0.0048279500000000, 0.0009274700000000, 0.0002758900000000 ] - [ -0.0006508500000000, -0.0003364300000000, 0.0006151500000000 ] - [ 0.0004444800000000, -0.0002286200000000, 0.0004749900000000 ] - [ -0.0017282600000000, -0.0018463100000000, -0.0023943200000000 ] - [ 0.0010228300000000, -0.0006323100000000, 0.0010909100000000 ] - [ 0.0001245600000000, -0.0010093600000000, -0.0003167500000000 ] - [ 0.0004145700000000, 0.0001923500000000, -0.0007208800000000 ] - [ -0.0795645600000000, -0.0071652500000000, -0.0253791800000000 ] - [ 0.0017753800000000, -0.0006401700000000, 0.0007038000000000 ] - [ 0.0007764800000000, 0.0010872000000000, -0.0021360200000000 ] - [ 0.0028705200000000, -0.0016207800000000, 0.0006027400000000 ] - [ -0.0010834800000000, 0.0000446400000000, -0.0005005200000000 ] - [ 0.0009126500000000, 0.0006232000000000, -0.0007514200000000 ] - [ 0.0004515600000000, 0.0000067300000000, -0.0003478000000000 ] - [ 0.0019995500000000, 0.0029180300000000, 0.0021036300000000 ] - [ 0.0038562100000000, -0.0027592900000000, 0.0044590400000000 ] - [ 0.0026637200000000, 0.0004574400000000, -0.0016594900000000 ] - [ -0.0005711800000000, -0.0011729200000000, -0.0017208600000000 ] - [ 0.0008455600000000, -0.0003147000000000, -0.0004247900000000 ] - [ -0.0025745600000000, -0.0010991600000000, 0.0006357800000000 ] - [ 0.0016432000000000, -0.0005297800000000, -0.0001049000000000 ] - [ -0.0012746500000000, 0.0005584200000000, 0.0011066900000000 ] - [ -0.0000043300000000, -0.0009486300000000, -0.0001388200000000 ] - [ -0.0007866600000000, 0.0012687300000000, -0.0002994100000000 ] - [ -0.0000216100000000, 0.0004143200000000, 0.0001436700000000 ] - [ -0.0081236700000000, -0.0037233900000000, -0.0057691200000000 ] - [ 0.0016016600000000, 0.0005909600000000, -0.0000986400000000 ] - [ 0.0006926800000000, -0.0001918900000000, 0.0001672900000000 ] - [ 0.0000130600000000, -0.0000366100000000, 0.0007071300000000 ] - [ 0.0099779200000000, 0.0006350400000000, 0.0214732000000000 ] - [ 0.0020691300000000, -0.0000442200000000, -0.0009214900000000 ] - [ -0.0017832900000000, 0.0012405000000000, -0.0018001600000000 ] - [ 0.0017592700000000, -0.0004351300000000, -0.0001715900000000 ] - [ 0.0015733900000000, 0.0004203900000000, 0.0012455400000000 ] - [ 0.0008153300000000, -0.0001360800000000, 0.0001408700000000 ] - [ -0.0072161500000000, 0.0034080600000000, -0.0095790200000000 ] - [ 0.0015813100000000, -0.0003456600000000, -0.0003525100000000 ] - [ -0.0005146900000000, -0.0010213700000000, -0.0003314600000000 ] - [ 0.0004389600000000, -0.0005203000000000, 0.0000799200000000 ] - [ -0.0016022700000000, 0.0014717700000000, 0.0029211100000000 ] - [ 0.0006186400000000, 0.0006284900000000, -0.0002625400000000 ] - [ -0.0013473300000000, 0.0010057800000000, 0.0004847600000000 ] - [ 0.0012209600000000, 0.0004203100000000, -0.0003640600000000 ] - [ -0.0008788400000000, 0.0006719400000000, 0.0004697600000000 ] - [ 0.0012710100000000, 0.0007091400000000, 0.0008344900000000 ] - [ 0.0024962600000000, 0.0064718600000000, 0.0020011800000000 ] - [ 0.0005365400000000, 0.0003550900000000, -0.0008365100000000 ] - [ -0.0006988000000000, -0.0006708200000000, -0.0009406200000000 ] - [ 0.0000396200000000, -0.0006806700000000, -0.0005336700000000 ] - [ -0.0011139900000000, 0.0002338300000000, 0.0010433700000000 ] - [ 0.0006796400000000, 0.0006112600000000, 0.0008190500000000 ] - [ 0.0003164400000000, 0.0012199400000000, 0.0016942800000000 ] - [ -0.0012066300000000, -0.0002623300000000, -0.0008438100000000 ] - [ -0.0016854300000000, 0.0022515600000000, -0.0008307000000000 ] - [ -0.0003783800000000, -0.0021816400000000, 0.0020223800000000 ] - [ -0.0035466900000000, 0.0001448200000000, 0.0037850900000000 ] - [ -0.0107627900000000, -0.0008727800000000, -0.0008373700000000 ] - [ 0.0011274200000000, 0.0002342600000000, -0.0008357200000000 ] - [ -0.0003478600000000, -0.0000586000000000, -0.0005221800000000 ] - [ -0.0011793900000000, -0.0015846300000000, -0.0044151500000000 ] - [ -0.0019486600000000, 0.0002244000000000, 0.0003269100000000 ] - [ 0.0038022300000000, 0.0000020700000000, 0.0004863400000000 ] - [ -0.0009555200000000, -0.0000585700000000, -0.0001243500000000 ] - [ 0.0442912000000000, 0.0014016400000000, 0.0188726700000000 ] - [ -0.0014597600000000, -0.0001472600000000, 0.0000026400000000 ] - [ -0.0008528200000000, -0.0002200700000000, 0.0003517700000000 ] - [ -0.0012013200000000, 0.0000932500000000, -0.0002744600000000 ] - [ -0.0001888800000000, -0.0002595200000000, -0.0011552700000000 ] - [ 0.0000512400000000, 0.0007013700000000, 0.0005455200000000 ] - [ 0.0007734600000000, -0.0000258900000000, 0.0004216700000000 ] - [ -0.0016113900000000, 0.0001373600000000, 0.0000418100000000 ] - [ 0.0022167100000000, 0.0018655600000000, -0.0013090100000000 ] - [ -0.0016292000000000, -0.0002652200000000, 0.0002370000000000 ] - [ -0.0005786700000000, 0.0009622500000000, 0.0004858200000000 ] - [ -0.0004798400000000, -0.0021888300000000, -0.0002852000000000 ] - [ 0.0020671300000000, 0.0003143600000000, 0.0003369400000000 ] - [ -0.0005283300000000, 0.0004301300000000, 0.0001509900000000 ] - [ 0.0149836600000000, -0.0017532100000000, 0.0045758500000000 ] - [ -0.0032811400000000, 0.0005987400000000, 0.0003112000000000 ] - [ 0.0000222200000000, -0.0000028100000000, 0.0004924400000000 ] - [ -0.0020234700000000, -0.0007944400000000, -0.0007598700000000 ] - [ 0.0076363400000000, -0.0018570400000000, 0.0003207600000000 ] - [ -0.0008943700000000, -0.0003185100000000, 0.0002517500000000 ] - [ -0.0003852300000000, 0.0001230700000000, -0.0007277400000000 ] - [ -0.0001144800000000, 0.0003328500000000, -0.0001065400000000 ] - [ 0.0142557400000000, 0.0043896400000000, -0.0050951800000000 ] - [ -0.0024897100000000, 0.0003398800000000, 0.0001634800000000 ] - [ 0.0025087800000000, -0.0022111100000000, -0.0009046700000000 ] - [ -0.0011823800000000, -0.0001178300000000, 0.0004724200000000 ] - [ -0.0015850500000000, -0.0013671800000000, 0.0004556500000000 ] - [ -0.0009345000000000, 0.0013237400000000, -0.0006694900000000 ] - [ 0.0065524500000000, 0.0017690700000000, -0.0014428600000000 ] - [ -0.0025987200000000, -0.0000180700000000, -0.0008317200000000 ] - [ -0.0001028300000000, -0.0011247500000000, 0.0033836700000000 ] - [ -0.0021453600000000, 0.0006383900000000, -0.0005966800000000 ] - [ 0.0020289500000000, 0.0009293800000000, -0.0002955400000000 ] - [ -0.0014328300000000, -0.0001430300000000, 0.0008468000000000 ] - [ 0.0048158100000000, 0.0002861300000000, -0.0004005700000000 ] - [ -0.0025203600000000, 0.0000138100000000, -0.0009998300000000 ]- atom: 29 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0004587500000000, -0.0002898900000000, -0.0005040200000000 ] - [ -0.0004494200000000, -0.0002579200000000, -0.0002513700000000 ] - [ 0.0015655800000000, -0.0001443900000000, -0.0002892600000000 ] - [ -0.0012786300000000, -0.0003492700000000, 0.0005161300000000 ] - [ 0.0019037900000000, -0.0055047500000000, -0.0005573800000000 ] - [ -0.0016447400000000, 0.0006751200000000, 0.0007196200000000 ] - [ 0.0000131200000000, -0.0000438100000000, -0.0004313900000000 ] - [ 0.0000650000000000, 0.0006690900000000, -0.0007995000000000 ] - [ 0.0017442100000000, 0.0000779800000000, 0.0012024400000000 ] - [ -0.0005625900000000, 0.0003563800000000, 0.0001430600000000 ] - [ 0.0004989700000000, 0.0055060000000000, -0.0001688200000000 ] - [ -0.0016343300000000, -0.0002589200000000, -0.0003716700000000 ] - [ 0.0004525400000000, -0.0001590800000000, 0.0000491500000000 ] - [ -0.0013218100000000, -0.0002099800000000, -0.0006598900000000 ] - [ 0.0025907700000000, -0.0003211800000000, 0.0005993200000000 ] - [ -0.0007129600000000, -0.0003555800000000, 0.0001841400000000 ] - [ -0.0000105800000000, 0.0033584800000000, 0.0018686000000000 ] - [ -0.0011638000000000, 0.0001045100000000, 0.0004711500000000 ] - [ -0.0001711300000000, 0.0006341600000000, -0.0013691200000000 ] - [ 0.0002006900000000, -0.0000727900000000, -0.0000002000000000 ] - [ -0.0037461200000000, 0.0002986800000000, 0.0011375100000000 ] - [ -0.0045630500000000, -0.0014223300000000, -0.0012657200000000 ] - [ 0.0004079600000000, -0.0001657100000000, 0.0003936400000000 ] - [ -0.0006810100000000, -0.0002738000000000, 0.0005385100000000 ] - [ 0.0016728200000000, 0.0008582600000000, 0.0038061900000000 ] - [ -0.0010727600000000, -0.0003477800000000, 0.0003223600000000 ] - [ -0.0000744400000000, 0.0000412400000000, -0.0011011900000000 ] - [ -0.0003650900000000, -0.0011626600000000, -0.0006956400000000 ] - [ 0.0808722100000000, 0.0053301600000000, 0.0293054400000000 ] - [ -0.0010195300000000, -0.0007615700000000, 0.0006291400000000 ] - [ -0.0007112400000000, -0.0001246100000000, 0.0007407500000000 ] - [ -0.0028304300000000, 0.0025945400000000, -0.0020146500000000 ] - [ 0.0012318300000000, 0.0010708700000000, -0.0008604100000000 ] - [ -0.0007500600000000, 0.0004831700000000, -0.0006049000000000 ] - [ -0.0006034400000000, 0.0011043000000000, 0.0017162100000000 ] - [ -0.0021710400000000, -0.0018100600000000, -0.0007396500000000 ] - [ -0.0040626300000000, 0.0016746500000000, -0.0031446500000000 ] - [ -0.0028037600000000, -0.0015592100000000, 0.0030008800000000 ] - [ 0.0007305500000000, 0.0000644500000000, 0.0003626700000000 ] - [ -0.0006849600000000, -0.0007933500000000, -0.0009346200000000 ] - [ 0.0037523800000000, -0.0003070300000000, -0.0007537700000000 ] - [ -0.0004706400000000, -0.0008795200000000, 0.0000006400000000 ] - [ 0.0001058300000000, -0.0019731400000000, -0.0010099600000000 ] - [ -0.0011711000000000, -0.0004593400000000, 0.0002409300000000 ] - [ -0.0003727400000000, 0.0001530600000000, 0.0003992500000000 ] - [ -0.0011542500000000, 0.0009937600000000, -0.0000417400000000 ] - [ 0.0093372200000000, 0.0050534100000000, 0.0055542000000000 ] - [ -0.0004291200000000, 0.0008195300000000, -0.0000010000000000 ] - [ -0.0003627300000000, -0.0001557700000000, 0.0007272400000000 ] - [ 0.0002928600000000, -0.0003109300000000, 0.0001861000000000 ] - [ -0.0102667100000000, -0.0009957600000000, -0.0221477600000000 ] - [ -0.0023870100000000, -0.0003066100000000, 0.0000342600000000 ] - [ 0.0014625600000000, -0.0008760000000000, 0.0008944300000000 ] - [ -0.0020851700000000, 0.0007915400000000, -0.0007257700000000 ] - [ -0.0012581500000000, -0.0000747600000000, -0.0003544200000000 ] - [ -0.0005026900000000, 0.0004806900000000, 0.0007535300000000 ] - [ 0.0078182100000000, -0.0046296100000000, 0.0092369700000000 ] - [ -0.0010798200000000, -0.0009286000000000, 0.0001586100000000 ] - [ 0.0000245600000000, -0.0002619500000000, 0.0005285400000000 ] - [ -0.0009451500000000, -0.0007504200000000, 0.0001174300000000 ] - [ 0.0011095000000000, -0.0002142100000000, -0.0027470400000000 ] - [ -0.0011231500000000, 0.0006412200000000, 0.0004567100000000 ] - [ 0.0018515000000000, 0.0002709600000000, -0.0006825900000000 ] - [ -0.0007199800000000, 0.0008549300000000, 0.0001687800000000 ] - [ 0.0016338700000000, 0.0007279300000000, 0.0008420700000000 ] - [ -0.0005147800000000, 0.0006919900000000, 0.0004936100000000 ] - [ -0.0032618000000000, -0.0051252100000000, -0.0033369000000000 ] - [ -0.0012951100000000, 0.0010431400000000, -0.0004885000000000 ] - [ -0.0000541900000000, -0.0007296300000000, -0.0003953000000000 ] - [ -0.0007999700000000, -0.0007194300000000, -0.0007992600000000 ] - [ 0.0010552400000000, 0.0007302300000000, 0.0003705700000000 ] - [ -0.0007256200000000, 0.0003684000000000, 0.0005978600000000 ] - [ 0.0007744200000000, -0.0014226600000000, -0.0029885700000000 ] - [ 0.0022921700000000, 0.0000568600000000, -0.0004454200000000 ] - [ 0.0006048700000000, -0.0024879400000000, 0.0021394300000000 ] - [ -0.0007091600000000, 0.0019573100000000, -0.0007173100000000 ] - [ 0.0024695000000000, 0.0000766300000000, -0.0025352300000000 ] - [ 0.0097096300000000, 0.0010921800000000, 0.0020790900000000 ] - [ -0.0000321400000000, -0.0000248300000000, -0.0004431500000000 ] - [ 0.0014238100000000, 0.0002687800000000, -0.0007652800000000 ] - [ -0.0004615600000000, 0.0015861400000000, 0.0042838100000000 ] - [ 0.0003135400000000, -0.0002348200000000, -0.0004651700000000 ] - [ -0.0021547800000000, -0.0000261200000000, -0.0003300800000000 ] - [ 0.0025980900000000, 0.0000460600000000, 0.0002631600000000 ] - [ -0.0429989800000000, -0.0015306300000000, -0.0200292900000000 ] - [ 0.0031005500000000, 0.0001591900000000, 0.0001280500000000 ] - [ -0.0007982900000000, 0.0002275500000000, -0.0004799300000000 ] - [ -0.0004284500000000, -0.0000824900000000, 0.0001404700000000 ] - [ 0.0010864300000000, 0.0006146000000000, 0.0010780600000000 ] - [ 0.0008547200000000, -0.0003494700000000, -0.0006305000000000 ] - [ -0.0016724300000000, 0.0003697200000000, -0.0003349000000000 ] - [ 0.0007102600000000, 0.0002068900000000, 0.0000508700000000 ] - [ -0.0030907600000000, -0.0022184300000000, 0.0014199400000000 ] - [ 0.0007247500000000, -0.0000783500000000, -0.0001433000000000 ] - [ 0.0014740400000000, -0.0013205000000000, -0.0005896800000000 ] - [ 0.0013891400000000, 0.0018338500000000, 0.0001853200000000 ] - [ -0.0010252100000000, 0.0005352800000000, 0.0001464000000000 ] - [ 0.0015724200000000, 0.0004236300000000, 0.0003267000000000 ] - [ -0.0168485800000000, 0.0029059200000000, -0.0057003500000000 ] - [ 0.0022299500000000, 0.0002575900000000, -0.0007858700000000 ] - [ -0.0010944900000000, -0.0008454500000000, -0.0009465700000000 ] - [ 0.0009839600000000, -0.0000604700000000, 0.0002865500000000 ] - [ -0.0066054900000000, 0.0009157200000000, 0.0001344000000000 ] - [ 0.0019383600000000, -0.0005345600000000, 0.0002218000000000 ] - [ 0.0003627900000000, 0.0003609400000000, 0.0000056300000000 ] - [ 0.0001004400000000, 0.0001502400000000, -0.0006180400000000 ] - [ -0.0137175500000000, -0.0035573800000000, 0.0052636400000000 ] - [ 0.0025221200000000, 0.0001441400000000, 0.0005637700000000 ] - [ -0.0024630900000000, 0.0017299200000000, 0.0016550400000000 ] - [ 0.0012002600000000, -0.0003685900000000, 0.0002570700000000 ] - [ 0.0015635200000000, 0.0008871700000000, -0.0011932800000000 ] - [ 0.0009230000000000, -0.0018044400000000, -0.0000631700000000 ] - [ -0.0071416400000000, -0.0017810700000000, -0.0000926900000000 ] - [ 0.0020222300000000, -0.0000683800000000, -0.0006596000000000 ] - [ 0.0006017800000000, 0.0010212200000000, -0.0018565100000000 ] - [ 0.0027304500000000, -0.0007186600000000, 0.0020839000000000 ] - [ -0.0014605400000000, -0.0008503200000000, 0.0017745700000000 ] - [ 0.0020157900000000, 0.0002210600000000, 0.0006364500000000 ] - [ -0.0053997100000000, -0.0001913100000000, -0.0010485600000000 ] - [ 0.0019442800000000, 0.0000720600000000, -0.0004822700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003452500000000, 0.0015234000000000, -0.0003877300000000 ] - [ 0.0003736100000000, 0.0009398000000000, -0.0005585800000000 ] - [ -0.0004773800000000, -0.0015867400000000, 0.0005336800000000 ] - [ -0.0000936500000000, -0.0004818800000000, 0.0004995400000000 ] - [ 0.0038824300000000, 0.0080832200000000, -0.0000883900000000 ] - [ -0.0003910700000000, 0.0002958200000000, 0.0004831500000000 ] - [ 0.0006093900000000, 0.0002596300000000, -0.0007098700000000 ] - [ -0.0002408500000000, 0.0001737100000000, -0.0005528000000000 ] - [ 0.0000852000000000, 0.0008202800000000, -0.0014835000000000 ] - [ 0.0003373100000000, 0.0002632400000000, 0.0002746300000000 ] - [ -0.0035218100000000, 0.0055882300000000, -0.0019252500000000 ] - [ -0.0000424700000000, 0.0004323600000000, -0.0003194300000000 ] - [ -0.0001453500000000, -0.0022172400000000, -0.0012421800000000 ] - [ -0.0003046200000000, -0.0005259500000000, -0.0003225100000000 ] - [ 0.0004298300000000, 0.0045240300000000, 0.0008459200000000 ] - [ 0.0003894800000000, -0.0000720600000000, 0.0003052600000000 ] - [ -0.0034930800000000, 0.0039177900000000, 0.0033892000000000 ] - [ 0.0002833400000000, 0.0004033500000000, 0.0005700700000000 ] - [ -0.0001860800000000, 0.0001236100000000, -0.0005040300000000 ] - [ 0.0004727800000000, 0.0002290000000000, -0.0006768200000000 ] - [ -0.0004584800000000, -0.0012566700000000, 0.0000364600000000 ] - [ 0.0007916300000000, -0.0014750400000000, 0.0003900400000000 ] - [ -0.0001839000000000, 0.0007381100000000, 0.0004732000000000 ] - [ -0.0000447800000000, -0.0000785900000000, 0.0005370500000000 ] - [ -0.0008478200000000, -0.0017684200000000, 0.0027964400000000 ] - [ 0.0002084400000000, -0.0007647200000000, 0.0007571400000000 ] - [ -0.0002992200000000, -0.0000171500000000, -0.0011033700000000 ] - [ 0.0003013200000000, 0.0000788000000000, -0.0006914200000000 ] - [ -0.0058198400000000, -0.0541752000000000, -0.0197169800000000 ] - [ 0.0004383800000000, -0.0008554300000000, 0.0007559700000000 ] - [ 0.0016311600000000, -0.0005869100000000, -0.0004647400000000 ] - [ -0.0000306000000000, -0.0000647400000000, -0.0006430900000000 ] - [ -0.0014429200000000, 0.0027734200000000, -0.0022661500000000 ] - [ 0.0003001000000000, 0.0007909100000000, -0.0008166000000000 ] - [ -0.0007289500000000, -0.0001316500000000, 0.0007508400000000 ] - [ -0.0002351800000000, -0.0002331700000000, 0.0008887100000000 ] - [ -0.0009308500000000, -0.0003690300000000, -0.0002220300000000 ] - [ 0.0014388000000000, -0.0004314500000000, -0.0003892600000000 ] - [ 0.0000108100000000, 0.0006289400000000, 0.0001483000000000 ] - [ 0.0002978600000000, -0.0002639200000000, -0.0006269200000000 ] - [ 0.0004066100000000, -0.0016887700000000, -0.0024576600000000 ] - [ 0.0006541400000000, -0.0008690300000000, -0.0001388700000000 ] - [ -0.0006582200000000, 0.0007274600000000, 0.0008598000000000 ] - [ -0.0007121700000000, -0.0003858300000000, 0.0000089300000000 ] - [ 0.0005331700000000, 0.0029594100000000, -0.0007432300000000 ] - [ -0.0006392800000000, 0.0008853600000000, -0.0000299100000000 ] - [ -0.0013479600000000, 0.0064977700000000, 0.0195917600000000 ] - [ 0.0006674600000000, 0.0005678400000000, -0.0000201700000000 ] - [ 0.0001142100000000, 0.0005530600000000, 0.0005325500000000 ] - [ 0.0000893900000000, 0.0006500600000000, 0.0004788100000000 ] - [ -0.0021806900000000, -0.0074882000000000, -0.0017666000000000 ] - [ 0.0000575000000000, -0.0006053500000000, -0.0003098300000000 ] - [ 0.0001993800000000, 0.0006114600000000, -0.0010714900000000 ] - [ -0.0004668000000000, 0.0002989400000000, -0.0004548900000000 ] - [ 0.0013472300000000, 0.0001124400000000, 0.0013904200000000 ] - [ -0.0009783700000000, 0.0000139700000000, 0.0010392300000000 ] - [ 0.0064106900000000, 0.0016845500000000, -0.0209154200000000 ] - [ 0.0002614600000000, -0.0007493100000000, -0.0000478700000000 ] - [ -0.0013248200000000, 0.0016798100000000, 0.0008955800000000 ] - [ -0.0001611500000000, -0.0004322900000000, 0.0002699600000000 ] - [ 0.0000593700000000, -0.0006315400000000, 0.0010501300000000 ] - [ -0.0003909500000000, 0.0003424500000000, 0.0001496300000000 ] - [ 0.0001708500000000, 0.0016046700000000, -0.0004085800000000 ] - [ 0.0002794200000000, 0.0007577600000000, -0.0001242100000000 ] - [ 0.0004065800000000, 0.0011169000000000, 0.0010740200000000 ] - [ 0.0003689700000000, 0.0007195200000000, 0.0006280000000000 ] - [ 0.0053925000000000, 0.0044046800000000, 0.0028485600000000 ] - [ -0.0007210200000000, 0.0006212200000000, -0.0006227600000000 ] - [ -0.0004075100000000, 0.0002425000000000, -0.0005859200000000 ] - [ -0.0003970400000000, -0.0005333300000000, -0.0006303500000000 ] - [ 0.0010146500000000, 0.0030856600000000, 0.0018572000000000 ] - [ 0.0000214300000000, 0.0007103400000000, 0.0008000900000000 ] - [ 0.0021211400000000, -0.0004277300000000, -0.0048407600000000 ] - [ -0.0004350200000000, -0.0001843500000000, -0.0006880100000000 ] - [ -0.0002037800000000, -0.0003540400000000, 0.0009563200000000 ] - [ -0.0011944200000000, -0.0008369500000000, 0.0013540800000000 ] - [ -0.0009388700000000, 0.0024954900000000, 0.0001177000000000 ] - [ 0.0003340500000000, 0.0014797700000000, -0.0003674400000000 ] - [ 0.0002973300000000, -0.0034273000000000, -0.0003223900000000 ] - [ 0.0005023400000000, -0.0003066000000000, -0.0006454200000000 ] - [ -0.0018157500000000, -0.0006199800000000, -0.0050186600000000 ] - [ 0.0000389900000000, -0.0000441600000000, -0.0001080600000000 ] - [ 0.0009811200000000, -0.0006699600000000, 0.0006163100000000 ] - [ 0.0009522700000000, 0.0000117500000000, 0.0001471400000000 ] - [ 0.0027989600000000, 0.0418023800000000, 0.0282512600000000 ] - [ 0.0007139600000000, 0.0002205700000000, -0.0000527200000000 ] - [ -0.0007410900000000, -0.0032132500000000, -0.0001945000000000 ] - [ -0.0007866100000000, -0.0003420600000000, -0.0001299400000000 ] - [ 0.0000553000000000, 0.0009984900000000, 0.0001303800000000 ] - [ 0.0007279800000000, 0.0010140800000000, 0.0001255800000000 ] - [ -0.0006126800000000, -0.0032401700000000, 0.0009835500000000 ] - [ -0.0003706800000000, -0.0001809700000000, 0.0000892200000000 ] - [ 0.0015930200000000, -0.0002448700000000, 0.0013965100000000 ] - [ -0.0008335600000000, -0.0001051400000000, 0.0000825600000000 ] - [ 0.0018737100000000, -0.0005781700000000, -0.0004512600000000 ] - [ -0.0015325700000000, -0.0006065500000000, -0.0008510500000000 ] - [ 0.0005048400000000, -0.0009272800000000, 0.0002553800000000 ] - [ 0.0004399000000000, 0.0002545200000000, 0.0002449500000000 ] - [ -0.0037508100000000, 0.0074830600000000, -0.0022500000000000 ] - [ -0.0009942000000000, 0.0008290200000000, -0.0003254500000000 ] - [ 0.0016956200000000, -0.0003315200000000, -0.0021420200000000 ] - [ -0.0007395500000000, -0.0004169800000000, -0.0001943900000000 ] - [ 0.0001087000000000, -0.0141756400000000, 0.0013183700000000 ] - [ 0.0004452600000000, -0.0004579600000000, 0.0002675300000000 ] - [ -0.0001858700000000, -0.0003787000000000, -0.0004012900000000 ] - [ 0.0002637300000000, -0.0002303000000000, -0.0004497200000000 ] - [ 0.0035580700000000, 0.0095531400000000, -0.0024367300000000 ] - [ 0.0002416600000000, 0.0005287400000000, 0.0003500600000000 ] - [ -0.0021237100000000, 0.0005487000000000, -0.0010829400000000 ] - [ 0.0001858100000000, -0.0001525600000000, 0.0003555200000000 ] - [ -0.0016998100000000, -0.0013798700000000, 0.0000775700000000 ] - [ 0.0017701000000000, -0.0009359000000000, 0.0001952000000000 ] - [ 0.0014453000000000, -0.0126917700000000, -0.0021021000000000 ] - [ -0.0003991300000000, -0.0001946400000000, -0.0009392800000000 ] - [ -0.0048365000000000, -0.0010658000000000, 0.0043911400000000 ] - [ 0.0004968500000000, 0.0001357700000000, 0.0006904400000000 ] - [ 0.0004927000000000, -0.0043652400000000, 0.0021650600000000 ] - [ 0.0000235100000000, -0.0004632500000000, 0.0007307800000000 ] - [ -0.0001504300000000, 0.0031486400000000, -0.0004277900000000 ] - [ -0.0004039200000000, 0.0003496600000000, -0.0007415300000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007322500000000, -0.0020137500000000, -0.0006120300000000 ] - [ 0.0000307300000000, -0.0014331200000000, -0.0004435500000000 ] - [ 0.0000848700000000, 0.0010962600000000, 0.0004554600000000 ] - [ -0.0003023600000000, -0.0000094800000000, 0.0005018100000000 ] - [ -0.0042261200000000, -0.0075260800000000, 0.0010918400000000 ] - [ -0.0000053600000000, 0.0001931700000000, 0.0005184700000000 ] - [ -0.0002114800000000, 0.0002351600000000, -0.0002937100000000 ] - [ 0.0006347600000000, 0.0003213500000000, -0.0004523400000000 ] - [ 0.0005569900000000, -0.0002140900000000, 0.0020626000000000 ] - [ 0.0003009400000000, 0.0003399200000000, 0.0003106000000000 ] - [ 0.0028489200000000, -0.0049562000000000, 0.0013314000000000 ] - [ -0.0005961500000000, 0.0001668500000000, -0.0002666600000000 ] - [ -0.0004913100000000, 0.0016139400000000, 0.0006533200000000 ] - [ -0.0003353500000000, -0.0000767100000000, -0.0002664900000000 ] - [ 0.0002057200000000, -0.0051500800000000, -0.0002702200000000 ] - [ 0.0002506200000000, -0.0005300600000000, 0.0002822100000000 ] - [ 0.0032906800000000, -0.0034330500000000, -0.0023995900000000 ] - [ -0.0005238900000000, 0.0001041800000000, 0.0004450300000000 ] - [ 0.0004225600000000, 0.0003811600000000, -0.0005092700000000 ] - [ -0.0002362500000000, 0.0002755300000000, -0.0003407600000000 ] - [ 0.0007036600000000, 0.0007490700000000, -0.0010552200000000 ] - [ -0.0005678800000000, 0.0009618200000000, -0.0013910900000000 ] - [ -0.0000528000000000, -0.0012440400000000, 0.0005450000000000 ] - [ -0.0001930000000000, -0.0004279900000000, 0.0004768100000000 ] - [ 0.0007993400000000, 0.0008040700000000, -0.0013877400000000 ] - [ -0.0002567400000000, -0.0002098200000000, 0.0006583200000000 ] - [ 0.0003426200000000, -0.0009631800000000, -0.0003179400000000 ] - [ -0.0002527900000000, -0.0010562100000000, -0.0007275500000000 ] - [ 0.0066797500000000, 0.0533517100000000, 0.0223247700000000 ] - [ 0.0003221200000000, -0.0005472400000000, 0.0005794600000000 ] - [ -0.0015785900000000, 0.0015662600000000, -0.0009519400000000 ] - [ 0.0000609100000000, 0.0010535000000000, -0.0007751100000000 ] - [ 0.0016184600000000, -0.0016683600000000, 0.0009264300000000 ] - [ -0.0001393100000000, 0.0003155400000000, -0.0005413500000000 ] - [ 0.0005668700000000, 0.0012322000000000, 0.0006066900000000 ] - [ 0.0000573900000000, 0.0013218600000000, 0.0004686900000000 ] - [ 0.0007805200000000, -0.0007431500000000, 0.0015921800000000 ] - [ -0.0016012800000000, -0.0006735000000000, 0.0017487700000000 ] - [ 0.0001524100000000, -0.0017325400000000, -0.0015169500000000 ] - [ -0.0001363700000000, -0.0008404700000000, -0.0007326300000000 ] - [ 0.0007670100000000, 0.0002720500000000, 0.0023531100000000 ] - [ 0.0005209100000000, -0.0005418800000000, 0.0000363100000000 ] - [ -0.0005179700000000, -0.0021370500000000, -0.0007649400000000 ] - [ -0.0004626800000000, -0.0010229000000000, 0.0000941500000000 ] - [ -0.0017127100000000, -0.0015426800000000, 0.0008576800000000 ] - [ -0.0005354700000000, 0.0005282000000000, 0.0001341700000000 ] - [ 0.0024775900000000, -0.0050657000000000, -0.0195146100000000 ] - [ 0.0005071500000000, 0.0008412000000000, -0.0000814800000000 ] - [ 0.0002027000000000, -0.0009040600000000, 0.0003690800000000 ] - [ 0.0002337700000000, -0.0010025400000000, 0.0004237200000000 ] - [ 0.0017793900000000, 0.0071377600000000, 0.0007753400000000 ] - [ -0.0003740700000000, 0.0002556600000000, -0.0005920800000000 ] - [ -0.0005154600000000, -0.0002663200000000, 0.0001682000000000 ] - [ 0.0001491200000000, 0.0000479900000000, -0.0004465500000000 ] - [ -0.0010357000000000, 0.0002402100000000, -0.0004962500000000 ] - [ 0.0013025400000000, 0.0003388300000000, -0.0001436000000000 ] - [ -0.0059303200000000, -0.0029110800000000, 0.0207748300000000 ] - [ 0.0002404800000000, -0.0005213100000000, -0.0001474000000000 ] - [ 0.0008217700000000, -0.0029572000000000, -0.0006966100000000 ] - [ -0.0003420100000000, -0.0008406700000000, -0.0000733800000000 ] - [ -0.0005611700000000, 0.0019125200000000, -0.0008593500000000 ] - [ -0.0001124300000000, 0.0009311800000000, 0.0000444600000000 ] - [ 0.0003354900000000, -0.0003386800000000, 0.0002044100000000 ] - [ 0.0002242800000000, 0.0005131900000000, -0.0000716300000000 ] - [ 0.0003555100000000, 0.0002830800000000, 0.0002558300000000 ] - [ 0.0003912900000000, 0.0006827000000000, 0.0007060000000000 ] - [ -0.0062089700000000, -0.0030192200000000, -0.0042071900000000 ] - [ -0.0000374500000000, 0.0007846300000000, -0.0007076000000000 ] - [ -0.0003534600000000, -0.0016461900000000, -0.0007478000000000 ] - [ -0.0003628900000000, -0.0008699600000000, -0.0007059400000000 ] - [ -0.0010624600000000, -0.0021180000000000, -0.0004334800000000 ] - [ -0.0000691100000000, 0.0002659000000000, 0.0006168800000000 ] - [ -0.0010365300000000, 0.0002064500000000, 0.0035794900000000 ] - [ 0.0015282000000000, -0.0000233200000000, -0.0006021100000000 ] - [ -0.0008825300000000, 0.0001592000000000, 0.0003324200000000 ] - [ 0.0001041700000000, 0.0006349500000000, -0.0000607100000000 ] - [ -0.0001547000000000, -0.0022864400000000, 0.0011785300000000 ] - [ -0.0013465700000000, -0.0012604000000000, 0.0016328200000000 ] - [ 0.0007869300000000, 0.0036414800000000, -0.0009751200000000 ] - [ 0.0005877300000000, 0.0005133800000000, -0.0006459600000000 ] - [ 0.0001755100000000, 0.0006008200000000, 0.0049016400000000 ] - [ -0.0016856600000000, 0.0000304400000000, -0.0000341400000000 ] - [ 0.0006597200000000, 0.0006709100000000, -0.0004678300000000 ] - [ 0.0006892500000000, -0.0000193700000000, -0.0000056900000000 ] - [ -0.0012468300000000, -0.0422834800000000, -0.0293505100000000 ] - [ 0.0009289500000000, -0.0002104000000000, 0.0001917900000000 ] - [ -0.0008983100000000, 0.0032261900000000, 0.0000522800000000 ] - [ -0.0008585700000000, 0.0003511900000000, -0.0000106000000000 ] - [ 0.0008457300000000, -0.0006564300000000, -0.0002223800000000 ] - [ 0.0001762100000000, -0.0006706100000000, -0.0002131200000000 ] - [ -0.0002941100000000, 0.0035889500000000, -0.0008824300000000 ] - [ -0.0005277700000000, 0.0005280900000000, 0.0000043900000000 ] - [ -0.0024882000000000, -0.0001252300000000, -0.0012936400000000 ] - [ -0.0000686000000000, -0.0002415500000000, 0.0000099000000000 ] - [ -0.0009670000000000, 0.0002390800000000, 0.0003538300000000 ] - [ 0.0024270100000000, 0.0002715200000000, 0.0007499000000000 ] - [ 0.0005382900000000, 0.0017791300000000, 0.0002251900000000 ] - [ 0.0006032100000000, 0.0005997600000000, 0.0002322200000000 ] - [ 0.0026776800000000, -0.0066712000000000, 0.0017424300000000 ] - [ -0.0000457300000000, 0.0000251500000000, -0.0001536100000000 ] - [ -0.0027409000000000, -0.0005184900000000, 0.0016688400000000 ] - [ -0.0002991300000000, -0.0004344200000000, -0.0002791300000000 ] - [ 0.0009254100000000, 0.0132086000000000, -0.0008228600000000 ] - [ 0.0005984100000000, -0.0003979200000000, 0.0002072000000000 ] - [ 0.0001692600000000, 0.0008619200000000, -0.0003235500000000 ] - [ -0.0002847400000000, 0.0007132500000000, -0.0002747400000000 ] - [ -0.0034024800000000, -0.0090759200000000, 0.0030399200000000 ] - [ -0.0002259200000000, -0.0000452600000000, 0.0003762400000000 ] - [ 0.0021407000000000, -0.0010151400000000, 0.0018237300000000 ] - [ -0.0001670200000000, -0.0003301400000000, 0.0003719000000000 ] - [ 0.0016895900000000, 0.0008941300000000, -0.0008119200000000 ] - [ -0.0018006000000000, 0.0004462700000000, -0.0009303500000000 ] - [ -0.0020152900000000, 0.0125918700000000, 0.0005631000000000 ] - [ -0.0001793100000000, 0.0001141500000000, -0.0005485100000000 ] - [ 0.0053830600000000, 0.0009650400000000, -0.0028842900000000 ] - [ 0.0000892800000000, -0.0002240800000000, 0.0008015800000000 ] - [ 0.0000948600000000, 0.0044499500000000, -0.0006609600000000 ] - [ 0.0005517000000000, 0.0005482200000000, 0.0007567100000000 ] - [ -0.0004317000000000, -0.0030669100000000, -0.0010508400000000 ] - [ -0.0001733900000000, -0.0002674900000000, -0.0007430300000000 ]- atom: 29 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0006109000000000, -0.0002622400000000, -0.0010360000000000 ] - [ -0.0000889800000000, -0.0001657300000000, -0.0009941900000000 ] - [ -0.0004499000000000, -0.0003064700000000, 0.0046807700000000 ] - [ -0.0001270800000000, -0.0001569900000000, 0.0008595200000000 ] - [ 0.0000637600000000, -0.0025628700000000, -0.0040248200000000 ] - [ -0.0000547200000000, 0.0001363800000000, 0.0001792700000000 ] - [ -0.0004600500000000, 0.0002018100000000, 0.0004716100000000 ] - [ 0.0009769500000000, 0.0000862900000000, 0.0005163500000000 ] - [ 0.0006696500000000, -0.0005122400000000, 0.0050378600000000 ] - [ 0.0004850200000000, 0.0003169300000000, 0.0006078100000000 ] - [ -0.0000410500000000, -0.0027874500000000, -0.0033049200000000 ] - [ -0.0004288000000000, 0.0002608600000000, -0.0006781100000000 ] - [ -0.0009721500000000, 0.0006198300000000, 0.0036410700000000 ] - [ -0.0000823000000000, -0.0001877300000000, 0.0003036500000000 ] - [ 0.0001144400000000, -0.0009507700000000, -0.0007819800000000 ] - [ 0.0003001600000000, -0.0003280100000000, 0.0000611200000000 ] - [ -0.0013763100000000, 0.0026801400000000, -0.0006330700000000 ] - [ 0.0001208600000000, 0.0003308100000000, 0.0002141800000000 ] - [ -0.0003514800000000, 0.0000665600000000, 0.0010236400000000 ] - [ 0.0005683700000000, 0.0002780900000000, 0.0014982200000000 ] - [ 0.0014587900000000, -0.0000290600000000, -0.0034746600000000 ] - [ -0.0004530100000000, 0.0004309900000000, -0.0054933200000000 ] - [ 0.0001870100000000, -0.0005836000000000, 0.0014207700000000 ] - [ -0.0002593000000000, -0.0002982400000000, 0.0007380900000000 ] - [ -0.0020785600000000, 0.0031045400000000, 0.0069757800000000 ] - [ 0.0002690700000000, -0.0004767100000000, 0.0008923900000000 ] - [ 0.0002618600000000, -0.0008952100000000, -0.0003201500000000 ] - [ -0.0003920800000000, -0.0010976500000000, -0.0005191900000000 ] - [ -0.0262433600000000, -0.0229011700000000, -0.3828850100000000 ] - [ 0.0003905200000000, -0.0006119500000000, 0.0001751100000000 ] - [ -0.0027637500000000, 0.0010584300000000, -0.0019540800000000 ] - [ 0.0030030700000000, -0.0008167000000000, -0.0009444500000000 ] - [ 0.0008544200000000, -0.0007163700000000, -0.0013561200000000 ] - [ -0.0000514700000000, 0.0005479800000000, -0.0008890100000000 ] - [ -0.0013320400000000, 0.0007575500000000, 0.0000939100000000 ] - [ 0.0029564000000000, 0.0027008300000000, 0.0003075500000000 ] - [ 0.0030327400000000, -0.0022191300000000, 0.0037565300000000 ] - [ -0.0033950500000000, -0.0014607200000000, 0.0031988300000000 ] - [ -0.0000513100000000, 0.0006136100000000, 0.0001766900000000 ] - [ 0.0002825300000000, -0.0003995100000000, -0.0004613900000000 ] - [ 0.0005805500000000, -0.0032170300000000, 0.0069604100000000 ] - [ 0.0005370100000000, -0.0006501100000000, 0.0001765000000000 ] - [ -0.0005129600000000, 0.0002006600000000, 0.0005836100000000 ] - [ -0.0008339900000000, -0.0005913900000000, 0.0001103600000000 ] - [ -0.0018516900000000, -0.0014625500000000, -0.0001897200000000 ] - [ -0.0003453500000000, 0.0004694800000000, -0.0000067700000000 ] - [ -0.0007530800000000, 0.0167965500000000, 0.0141101600000000 ] - [ 0.0006935100000000, 0.0008215200000000, -0.0002609200000000 ] - [ -0.0009936000000000, -0.0002910800000000, 0.0003826300000000 ] - [ 0.0011386700000000, -0.0002050900000000, 0.0004520100000000 ] - [ 0.0189083000000000, 0.0011483500000000, 0.0126233000000000 ] - [ -0.0006832400000000, 0.0001020800000000, -0.0009315800000000 ] - [ -0.0007825900000000, -0.0013159600000000, 0.0009906300000000 ] - [ 0.0005594200000000, -0.0002490300000000, -0.0001296800000000 ] - [ 0.0013933900000000, 0.0005305800000000, 0.0008826200000000 ] - [ -0.0015058900000000, 0.0007241300000000, 0.0005853500000000 ] - [ -0.0084531200000000, -0.0151530500000000, 0.0274390200000000 ] - [ 0.0006238000000000, -0.0005470600000000, -0.0002460400000000 ] - [ -0.0014464900000000, 0.0007710600000000, -0.0002754400000000 ] - [ 0.0000498900000000, -0.0006501200000000, -0.0001495400000000 ] - [ 0.0008927400000000, 0.0024093100000000, 0.0035128700000000 ] - [ -0.0005893100000000, 0.0006362500000000, 0.0003744300000000 ] - [ 0.0003838000000000, -0.0003091400000000, 0.0002811500000000 ] - [ 0.0002729400000000, 0.0005927600000000, -0.0000494900000000 ] - [ 0.0002228600000000, 0.0002943500000000, 0.0040155100000000 ] - [ 0.0005341000000000, 0.0007372100000000, 0.0010844500000000 ] - [ 0.0022376000000000, 0.0041149100000000, -0.0018577400000000 ] - [ -0.0005763000000000, 0.0007483100000000, -0.0011552100000000 ] - [ -0.0006489200000000, -0.0007799400000000, 0.0002403300000000 ] - [ -0.0002582300000000, -0.0007365900000000, -0.0003252800000000 ] - [ 0.0009767100000000, 0.0021301900000000, 0.0002942400000000 ] - [ -0.0001954000000000, 0.0003941000000000, 0.0005663400000000 ] - [ 0.0035314000000000, -0.0045584400000000, -0.0010531100000000 ] - [ -0.0003187600000000, -0.0003578100000000, -0.0005714300000000 ] - [ -0.0011618600000000, 0.0015591200000000, -0.0012570500000000 ] - [ 0.0004266600000000, 0.0014015300000000, -0.0019553200000000 ] - [ 0.0012931600000000, -0.0014037000000000, 0.0032776600000000 ] - [ -0.0127933900000000, -0.0022973700000000, 0.0073922300000000 ] - [ -0.0004870900000000, 0.0001336800000000, -0.0014437800000000 ] - [ 0.0011429800000000, 0.0000662800000000, -0.0007544800000000 ] - [ -0.0030041300000000, -0.0028994600000000, -0.0016094800000000 ] - [ 0.0001927000000000, -0.0001056000000000, 0.0002127700000000 ] - [ 0.0012689200000000, 0.0041208100000000, -0.0034374600000000 ] - [ 0.0004901300000000, 0.0000215000000000, -0.0004278100000000 ] - [ 0.0193452900000000, 0.0271951700000000, 0.2979253500000000 ] - [ 0.0008409200000000, -0.0001725400000000, 0.0006830100000000 ] - [ 0.0004769600000000, 0.0005505100000000, -0.0012369600000000 ] - [ -0.0013513500000000, 0.0001287300000000, -0.0003293400000000 ] - [ 0.0002588700000000, -0.0002124700000000, -0.0020203300000000 ] - [ 0.0008755700000000, -0.0001956100000000, -0.0020997700000000 ] - [ -0.0003347200000000, 0.0002423500000000, 0.0005172200000000 ] - [ -0.0006655000000000, 0.0002108600000000, 0.0001897200000000 ] - [ -0.0034626500000000, 0.0028297000000000, -0.0040215300000000 ] - [ -0.0000479200000000, -0.0001555800000000, -0.0002050300000000 ] - [ 0.0007244300000000, -0.0001278400000000, 0.0013275000000000 ] - [ 0.0003593700000000, -0.0005261000000000, 0.0014617800000000 ] - [ 0.0003682200000000, 0.0010092800000000, -0.0013921600000000 ] - [ 0.0004658300000000, 0.0004966400000000, -0.0001456600000000 ] - [ 0.0032790700000000, -0.0005729000000000, 0.0084899800000000 ] - [ 0.0002331600000000, 0.0002437400000000, 0.0004943200000000 ] - [ 0.0021391700000000, -0.0015537100000000, -0.0034170600000000 ] - [ -0.0011229100000000, -0.0006497400000000, -0.0009566800000000 ] - [ 0.0005349600000000, 0.0023103500000000, 0.0087988800000000 ] - [ 0.0004384100000000, -0.0003695600000000, 0.0006935000000000 ] - [ 0.0000757000000000, 0.0003562000000000, -0.0013644900000000 ] - [ 0.0000703500000000, 0.0003748000000000, -0.0014700800000000 ] - [ -0.0028083300000000, -0.0020825300000000, 0.0111307300000000 ] - [ -0.0008762600000000, 0.0002391400000000, 0.0008107400000000 ] - [ -0.0022103200000000, -0.0024468600000000, -0.0042458200000000 ] - [ 0.0002196200000000, -0.0002927200000000, -0.0000317700000000 ] - [ -0.0000477000000000, -0.0001221600000000, 0.0014280000000000 ] - [ -0.0000356100000000, 0.0002120100000000, 0.0014108200000000 ] - [ -0.0007058300000000, -0.0061365300000000, 0.0092718200000000 ] - [ -0.0004338800000000, -0.0000432600000000, -0.0000003000000000 ] - [ 0.0099400600000000, 0.0034955700000000, -0.0066516400000000 ] - [ -0.0010011400000000, 0.0003188600000000, -0.0003323300000000 ] - [ 0.0000542700000000, 0.0005303300000000, 0.0011801000000000 ] - [ 0.0006503200000000, 0.0001626600000000, 0.0011763800000000 ] - [ -0.0011236400000000, -0.0018092700000000, -0.0109885600000000 ] - [ -0.0004324500000000, -0.0000468100000000, -0.0016218400000000 ]- atom: 29 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0002027900000000, -0.0002296000000000, 0.0000302400000000 ] - [ 0.0004850400000000, -0.0003240600000000, -0.0000097900000000 ] - [ 0.0000546700000000, -0.0001816800000000, -0.0036804900000000 ] - [ -0.0002750800000000, -0.0003338500000000, 0.0001455700000000 ] - [ -0.0004896500000000, 0.0030133100000000, 0.0050421700000000 ] - [ -0.0003439500000000, 0.0003547400000000, 0.0008261000000000 ] - [ 0.0008588100000000, 0.0002869700000000, -0.0014782000000000 ] - [ -0.0005716000000000, 0.0004021500000000, -0.0015221400000000 ] - [ -0.0000282100000000, 0.0011056200000000, -0.0044335700000000 ] - [ 0.0001527900000000, 0.0002866100000000, -0.0000217900000000 ] - [ -0.0005819800000000, 0.0033679400000000, 0.0027321000000000 ] - [ -0.0002091600000000, 0.0003458100000000, 0.0000929200000000 ] - [ 0.0003290900000000, -0.0012194000000000, -0.0042218200000000 ] - [ -0.0005528600000000, -0.0004188500000000, -0.0008911900000000 ] - [ 0.0005254800000000, 0.0003562500000000, 0.0013754800000000 ] - [ 0.0003370700000000, -0.0002763300000000, 0.0005253000000000 ] - [ 0.0011258400000000, -0.0021525900000000, 0.0016776600000000 ] - [ -0.0003547500000000, 0.0001801200000000, 0.0008031000000000 ] - [ 0.0005836200000000, 0.0004483000000000, -0.0020368200000000 ] - [ -0.0003311800000000, 0.0002359200000000, -0.0025141700000000 ] - [ -0.0012151300000000, -0.0004828700000000, 0.0024614400000000 ] - [ 0.0006755900000000, -0.0009485000000000, 0.0044795300000000 ] - [ -0.0004210900000000, 0.0000706300000000, -0.0004092400000000 ] - [ 0.0000235500000000, -0.0002141100000000, 0.0002759100000000 ] - [ 0.0020618400000000, -0.0041137000000000, -0.0055973400000000 ] - [ -0.0003156300000000, -0.0004985800000000, 0.0005251100000000 ] - [ -0.0002125500000000, -0.0000756800000000, -0.0010920400000000 ] - [ 0.0004433600000000, 0.0001308100000000, -0.0008943500000000 ] - [ 0.0250770400000000, 0.0189209300000000, 0.3652497300000000 ] - [ 0.0003743300000000, -0.0007934900000000, 0.0011629200000000 ] - [ 0.0028029300000000, -0.0000821500000000, 0.0005234400000000 ] - [ -0.0029493600000000, 0.0017846600000000, -0.0004758100000000 ] - [ -0.0006952900000000, 0.0018209400000000, -0.0000184100000000 ] - [ 0.0002160200000000, 0.0005550700000000, -0.0004724700000000 ] - [ 0.0011653100000000, 0.0003454100000000, 0.0012617400000000 ] - [ -0.0031142100000000, -0.0015900400000000, 0.0010487800000000 ] - [ -0.0031962000000000, 0.0011162000000000, -0.0023977700000000 ] - [ 0.0032449200000000, 0.0003594700000000, -0.0018492900000000 ] - [ 0.0002180300000000, -0.0017224400000000, -0.0015251200000000 ] - [ -0.0001174700000000, -0.0007028400000000, -0.0008973900000000 ] - [ 0.0005902600000000, 0.0018305300000000, -0.0071135400000000 ] - [ 0.0006400700000000, -0.0007641400000000, -0.0002786500000000 ] - [ -0.0006655600000000, -0.0016149600000000, -0.0004686300000000 ] - [ -0.0003425000000000, -0.0008233700000000, -0.0000047000000000 ] - [ 0.0006722300000000, 0.0028626400000000, 0.0002807800000000 ] - [ -0.0008311700000000, 0.0009444600000000, 0.0001096200000000 ] - [ 0.0019061300000000, -0.0151966800000000, -0.0140755200000000 ] - [ 0.0004828700000000, 0.0005932800000000, 0.0001569400000000 ] - [ 0.0013093600000000, -0.0000606600000000, 0.0005221200000000 ] - [ -0.0008211200000000, -0.0001445900000000, 0.0004524600000000 ] - [ -0.0190426900000000, -0.0014900300000000, -0.0134211200000000 ] - [ 0.0003645700000000, -0.0004513500000000, 0.0000234800000000 ] - [ 0.0004671100000000, 0.0016759900000000, -0.0018960500000000 ] - [ -0.0008778400000000, 0.0006003300000000, -0.0007753800000000 ] - [ -0.0010737100000000, -0.0001838400000000, 0.0000332200000000 ] - [ 0.0018261000000000, -0.0003794300000000, 0.0003282400000000 ] - [ 0.0088522200000000, 0.0136482100000000, -0.0272564100000000 ] - [ -0.0001198100000000, -0.0007240500000000, 0.0000513500000000 ] - [ 0.0009408400000000, -0.0020397400000000, 0.0004640700000000 ] - [ -0.0005543900000000, -0.0006209000000000, 0.0003426700000000 ] - [ -0.0014143400000000, -0.0011515000000000, -0.0033192500000000 ] - [ 0.0000855200000000, 0.0006328900000000, -0.0001789300000000 ] - [ 0.0001158300000000, 0.0015902000000000, -0.0004641400000000 ] - [ 0.0002298000000000, 0.0006808800000000, -0.0001420000000000 ] - [ 0.0005429300000000, 0.0011198000000000, -0.0026817500000000 ] - [ 0.0002308400000000, 0.0006687300000000, 0.0002541600000000 ] - [ -0.0029775700000000, -0.0026894400000000, 0.0005612500000000 ] - [ -0.0001894100000000, 0.0006569000000000, -0.0001765200000000 ] - [ -0.0001172900000000, -0.0006253300000000, -0.0015790800000000 ] - [ -0.0005061800000000, -0.0006686400000000, -0.0010157600000000 ] - [ -0.0010229600000000, -0.0011516500000000, 0.0011157800000000 ] - [ 0.0001476800000000, 0.0005809700000000, 0.0008493000000000 ] - [ -0.0024476700000000, 0.0043823700000000, -0.0002777800000000 ] - [ 0.0014072300000000, 0.0001554300000000, -0.0007237300000000 ] - [ 0.0000721300000000, -0.0017678400000000, 0.0025444200000000 ] - [ -0.0015230400000000, -0.0016158400000000, 0.0032500800000000 ] - [ -0.0023917000000000, 0.0016045000000000, -0.0019711300000000 ] - [ 0.0116971000000000, 0.0024979400000000, -0.0060679800000000 ] - [ 0.0015785900000000, 0.0000670200000000, 0.0001607400000000 ] - [ -0.0000515200000000, 0.0001374600000000, -0.0005358400000000 ] - [ 0.0013691000000000, 0.0029103300000000, 0.0014253100000000 ] - [ -0.0018376000000000, 0.0000974900000000, -0.0003626000000000 ] - [ 0.0003720200000000, -0.0041590900000000, 0.0035804300000000 ] - [ 0.0011535700000000, -0.0000315200000000, 0.0005710500000000 ] - [ -0.0159349000000000, -0.0248691400000000, -0.2790709500000000 ] - [ 0.0008039400000000, 0.0001806000000000, -0.0005373900000000 ] - [ -0.0021194400000000, -0.0005381700000000, 0.0010939300000000 ] - [ -0.0002921900000000, -0.0001190100000000, 0.0001879700000000 ] - [ 0.0006504500000000, 0.0005577400000000, 0.0019275000000000 ] - [ 0.0000204900000000, 0.0005430300000000, 0.0020098800000000 ] - [ -0.0005650300000000, 0.0000998800000000, -0.0004372500000000 ] - [ -0.0002392600000000, 0.0001333300000000, -0.0000999500000000 ] - [ 0.0025462700000000, -0.0031632700000000, 0.0041119500000000 ] - [ -0.0008535400000000, -0.0001883400000000, 0.0002975600000000 ] - [ 0.0001724600000000, -0.0002168000000000, -0.0014136400000000 ] - [ 0.0005501600000000, 0.0001806000000000, -0.0015487400000000 ] - [ 0.0006751100000000, -0.0001534200000000, 0.0018655000000000 ] - [ 0.0005765100000000, 0.0003570000000000, 0.0006220500000000 ] - [ -0.0046696000000000, 0.0015318000000000, -0.0091135300000000 ] - [ -0.0012778600000000, 0.0006108800000000, -0.0009764800000000 ] - [ -0.0031752400000000, 0.0006956600000000, 0.0029421100000000 ] - [ 0.0000780100000000, -0.0002045800000000, 0.0004816400000000 ] - [ 0.0005033800000000, -0.0032390300000000, -0.0082869000000000 ] - [ 0.0006039200000000, -0.0004832900000000, -0.0002150900000000 ] - [ -0.0000940300000000, 0.0001287400000000, 0.0006344000000000 ] - [ -0.0000896400000000, 0.0001088800000000, 0.0007424000000000 ] - [ 0.0032587700000000, 0.0028015900000000, -0.0106800400000000 ] - [ 0.0008938500000000, 0.0002443900000000, -0.0000870000000000 ] - [ 0.0022236500000000, 0.0019579700000000, 0.0049723200000000 ] - [ -0.0002001300000000, -0.0001912800000000, 0.0007599000000000 ] - [ 0.0000217600000000, -0.0003634600000000, -0.0021450700000000 ] - [ 0.0000270200000000, -0.0006987100000000, -0.0021312900000000 ] - [ 0.0001189200000000, 0.0060853300000000, -0.0107037700000000 ] - [ -0.0001463200000000, -0.0000409500000000, -0.0014841400000000 ] - [ -0.0093199200000000, -0.0035646800000000, 0.0081302000000000 ] - [ 0.0015783800000000, -0.0004013700000000, 0.0018218200000000 ] - [ 0.0005230000000000, -0.0004439500000000, 0.0002860900000000 ] - [ -0.0000692000000000, -0.0000818900000000, 0.0003038800000000 ] - [ 0.0005455300000000, 0.0019013000000000, 0.0095167600000000 ] - [ -0.0001485200000000, 0.0001317600000000, 0.0001323900000000 ]- atom: 33 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0015864700000000, 0.0001663000000000, -0.0002579000000000 ] - [ 0.0004026700000000, -0.0027623500000000, -0.0035675400000000 ] - [ -0.0013394700000000, -0.0001712400000000, 0.0004166300000000 ] - [ 0.0009039400000000, -0.0002094700000000, 0.0004687400000000 ] - [ -0.0025002300000000, 0.0004898400000000, 0.0010758100000000 ] - [ 0.0010643300000000, 0.0001544800000000, 0.0003583700000000 ] - [ 0.0014653200000000, -0.0000130600000000, -0.0010996700000000 ] - [ -0.0003883400000000, 0.0014136700000000, 0.0016110200000000 ] - [ -0.0005450200000000, -0.0004910100000000, -0.0014782100000000 ] - [ 0.0013980900000000, 0.0006803000000000, 0.0007910300000000 ] - [ 0.0001587700000000, 0.0010584500000000, -0.0000586600000000 ] - [ 0.0002625400000000, -0.0001797100000000, -0.0006206200000000 ] - [ -0.0001765900000000, -0.0007805200000000, -0.0009487600000000 ] - [ 0.0001857700000000, -0.0000340900000000, 0.0002081600000000 ] - [ 0.0015865100000000, 0.0033591000000000, 0.0038591600000000 ] - [ 0.0014979000000000, -0.0004536000000000, -0.0000566300000000 ] - [ -0.0055907300000000, 0.0007176300000000, -0.0004873600000000 ] - [ 0.0012279000000000, 0.0002529200000000, 0.0005733800000000 ] - [ 0.0008306700000000, 0.0003131200000000, -0.0005358500000000 ] - [ -0.0007863100000000, -0.0000789700000000, -0.0003016700000000 ] - [ 0.0010395900000000, -0.0005509000000000, -0.0003890600000000 ] - [ -0.0010881800000000, 0.0002080500000000, -0.0011404100000000 ] - [ -0.0114871900000000, -0.0008767900000000, 0.0009731800000000 ] - [ 0.0010587600000000, -0.0001929500000000, 0.0004456300000000 ] - [ -0.0010906700000000, 0.0000076200000000, 0.0003259800000000 ] - [ 0.0008872300000000, -0.0007746300000000, 0.0009795300000000 ] - [ 0.0005845800000000, -0.0001232200000000, -0.0004701500000000 ] - [ -0.0005815000000000, -0.0011695700000000, -0.0012726600000000 ] - [ -0.0007733000000000, -0.0022228300000000, 0.0014227800000000 ] - [ 0.0012133000000000, -0.0004800600000000, 0.0005558600000000 ] - [ 0.0015591900000000, -0.0005746800000000, -0.0004714100000000 ] - [ 0.0011245500000000, 0.0048061400000000, -0.0001621300000000 ] - [ -0.0924558500000000, 0.0632199500000000, -0.0431793400000000 ] - [ 0.0015912500000000, 0.0004493200000000, -0.0006090900000000 ] - [ 0.0007543200000000, 0.0005013800000000, 0.0005954100000000 ] - [ -0.0013945200000000, 0.0004359200000000, 0.0008041100000000 ] - [ 0.0005664100000000, -0.0007102500000000, 0.0007996400000000 ] - [ -0.0007320900000000, -0.0005080900000000, 0.0007474000000000 ] - [ -0.0009835300000000, -0.0006531700000000, -0.0007716100000000 ] - [ 0.0010993800000000, -0.0003276200000000, -0.0004782500000000 ] - [ 0.0000855400000000, -0.0008028000000000, 0.0000017800000000 ] - [ 0.0010739600000000, -0.0006577800000000, -0.0000067600000000 ] - [ -0.0004405500000000, -0.0005080800000000, 0.0008979600000000 ] - [ -0.0004382100000000, -0.0008285400000000, -0.0005631900000000 ] - [ 0.0055737500000000, 0.0010732400000000, -0.0020706600000000 ] - [ 0.0024653600000000, 0.0022115600000000, 0.0010657700000000 ] - [ -0.0000688500000000, -0.0000755300000000, 0.0000247200000000 ] - [ 0.0014142100000000, 0.0002611400000000, -0.0000733800000000 ] - [ 0.0028801600000000, 0.0006027300000000, 0.0003301700000000 ] - [ 0.0241108700000000, -0.0250961400000000, 0.0106887500000000 ] - [ -0.0040299800000000, -0.0001389100000000, -0.0005784100000000 ] - [ 0.0018221000000000, -0.0002299000000000, -0.0004521800000000 ] - [ -0.0016915900000000, 0.0001685800000000, -0.0003756900000000 ] - [ 0.0011188600000000, 0.0001359200000000, -0.0004069400000000 ] - [ 0.0018904300000000, 0.0002033400000000, 0.0010560400000000 ] - [ -0.0014116900000000, 0.0002289500000000, 0.0004042600000000 ] - [ 0.0020313000000000, -0.0070533600000000, -0.0012950700000000 ] - [ 0.0016091100000000, 0.0000200800000000, -0.0003080500000000 ] - [ 0.0004634600000000, 0.0004976800000000, -0.0000764600000000 ] - [ 0.0042362000000000, -0.0031535500000000, -0.0017068200000000 ] - [ -0.0003530500000000, 0.0001758000000000, 0.0006378100000000 ] - [ 0.0000098900000000, 0.0011962300000000, -0.0006193000000000 ] - [ -0.0005419200000000, 0.0011939400000000, 0.0007093400000000 ] - [ 0.0008921200000000, 0.0003562900000000, -0.0002449600000000 ] - [ -0.0002637700000000, 0.0007754600000000, 0.0005162000000000 ] - [ 0.0011461100000000, 0.0004841800000000, 0.0008857200000000 ] - [ 0.0035604100000000, -0.0001514500000000, 0.0025149400000000 ] - [ 0.0023682700000000, 0.0022295400000000, -0.0039505800000000 ] - [ 0.0001499200000000, -0.0000570000000000, -0.0019026500000000 ] - [ 0.0017009400000000, -0.0005534800000000, 0.0024164500000000 ] - [ -0.0074892700000000, 0.0075084100000000, -0.0012719200000000 ] - [ 0.0016261100000000, 0.0009482900000000, 0.0011525200000000 ] - [ 0.0024070400000000, -0.0005196900000000, -0.0005537100000000 ] - [ -0.0013323800000000, -0.0000559700000000, -0.0006804000000000 ] - [ -0.0018050100000000, -0.0002338600000000, 0.0006465200000000 ] - [ 0.0010067500000000, 0.0003283200000000, 0.0004209500000000 ] - [ -0.0025781800000000, 0.0009460000000000, 0.0006087500000000 ] - [ 0.0033782300000000, -0.0025582100000000, 0.0014601100000000 ] - [ 0.0513490800000000, -0.0348945000000000, 0.0245450600000000 ] - [ -0.0020984600000000, -0.0001536100000000, -0.0005197000000000 ] - [ -0.0016238300000000, -0.0000399600000000, -0.0030409500000000 ] - [ -0.0000067000000000, -0.0001662400000000, 0.0025214800000000 ] - [ 0.0021730400000000, -0.0002607700000000, 0.0001243200000000 ] - [ -0.0003409000000000, 0.0002188400000000, -0.0001926700000000 ] - [ 0.0050175300000000, 0.0033352400000000, -0.0007741800000000 ] - [ -0.0010265000000000, -0.0003090700000000, 0.0002211000000000 ] - [ -0.0043374500000000, -0.0039599100000000, 0.0017254800000000 ] - [ -0.0132176900000000, -0.0012639000000000, -0.0036754800000000 ] - [ -0.0005532400000000, 0.0005594000000000, 0.0000048300000000 ] - [ 0.0014867700000000, -0.0004520600000000, -0.0004063600000000 ] - [ 0.0025483400000000, 0.0004794100000000, -0.0000692100000000 ] - [ -0.0019167700000000, -0.0000102300000000, 0.0000475500000000 ] - [ 0.0075524300000000, -0.0008262200000000, 0.0006860800000000 ] - [ -0.0021881500000000, -0.0000775400000000, 0.0000030400000000 ] - [ -0.0009383100000000, -0.0005574800000000, -0.0001946200000000 ] - [ 0.0021931300000000, 0.0029528900000000, 0.0019561400000000 ] - [ 0.0019623200000000, -0.0000168300000000, 0.0012120900000000 ] - [ -0.0011413700000000, 0.0003239200000000, -0.0003236000000000 ] - [ -0.0009619800000000, 0.0010809700000000, -0.0008002900000000 ] - [ -0.0006648100000000, -0.0000343000000000, 0.0001187500000000 ] - [ -0.0008625600000000, -0.0006525200000000, 0.0002845900000000 ] - [ -0.0010437500000000, 0.0007231500000000, -0.0010658200000000 ] - [ 0.0155597800000000, -0.0043474900000000, 0.0076410800000000 ] - [ -0.0018713200000000, -0.0005071500000000, 0.0004913800000000 ] - [ -0.0012199900000000, 0.0000784500000000, -0.0001648100000000 ] - [ 0.0014160100000000, 0.0003071200000000, -0.0017848700000000 ] - [ 0.0017406500000000, 0.0002550100000000, 0.0001207300000000 ] - [ -0.0011646000000000, 0.0003106100000000, 0.0003784500000000 ] - [ 0.0020291800000000, -0.0004241100000000, 0.0008955300000000 ] - [ -0.0012334100000000, -0.0001651000000000, 0.0003526100000000 ] - [ -0.0027413800000000, -0.0004377600000000, -0.0007294700000000 ] - [ 0.0087731800000000, -0.0017042900000000, 0.0018265300000000 ] - [ 0.0004360400000000, -0.0037535300000000, -0.0020805800000000 ] - [ -0.0032904400000000, 0.0008750000000000, 0.0002656500000000 ] - [ -0.0028825500000000, 0.0024576700000000, 0.0045473900000000 ] - [ -0.0023893500000000, -0.0021137100000000, -0.0017826100000000 ] - [ -0.0013843200000000, -0.0010883400000000, -0.0012707700000000 ] - [ -0.0012658700000000, 0.0009233200000000, 0.0021190500000000 ] - [ 0.0014311200000000, 0.0009426100000000, -0.0000269300000000 ] - [ -0.0020155200000000, -0.0003738400000000, -0.0011424400000000 ]- atom: 33 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0011832900000000, -0.0006615400000000, -0.0007493800000000 ] - [ -0.0000084800000000, 0.0022497700000000, 0.0025512900000000 ] - [ 0.0009450500000000, -0.0003381900000000, 0.0005682900000000 ] - [ -0.0013069400000000, -0.0002799900000000, 0.0005375500000000 ] - [ 0.0020949900000000, 0.0000089100000000, -0.0000525900000000 ] - [ -0.0014668300000000, 0.0003350900000000, 0.0006477100000000 ] - [ -0.0010614100000000, 0.0005054000000000, 0.0000976600000000 ] - [ 0.0007692200000000, -0.0009301000000000, -0.0026044300000000 ] - [ 0.0012052100000000, 0.0010920200000000, 0.0020720300000000 ] - [ -0.0007643100000000, -0.0000766400000000, -0.0002049100000000 ] - [ -0.0007914600000000, -0.0004546700000000, -0.0005256300000000 ] - [ -0.0009017200000000, 0.0007842000000000, 0.0000332400000000 ] - [ -0.0004519600000000, 0.0001764100000000, 0.0003668800000000 ] - [ -0.0008266000000000, -0.0005738000000000, -0.0007942900000000 ] - [ -0.0009390300000000, -0.0039976000000000, -0.0032811600000000 ] - [ -0.0008608900000000, -0.0001540000000000, 0.0006404800000000 ] - [ 0.0053509400000000, -0.0002271600000000, 0.0015295500000000 ] - [ -0.0014646200000000, 0.0002601400000000, 0.0004383700000000 ] - [ -0.0005932500000000, 0.0002006000000000, -0.0004778800000000 ] - [ 0.0010116200000000, 0.0005965900000000, -0.0007149700000000 ] - [ -0.0008042900000000, 0.0000409800000000, -0.0006263700000000 ] - [ 0.0013182100000000, -0.0007169600000000, 0.0001277900000000 ] - [ 0.0112047700000000, 0.0004596800000000, -0.0001456300000000 ] - [ -0.0012944500000000, -0.0003215200000000, 0.0005679100000000 ] - [ 0.0010461000000000, -0.0009833500000000, 0.0010881300000000 ] - [ -0.0009354500000000, -0.0001986200000000, 0.0004357700000000 ] - [ -0.0005349800000000, -0.0008511800000000, -0.0009476900000000 ] - [ 0.0006222500000000, 0.0001959400000000, -0.0001541300000000 ] - [ 0.0015435300000000, 0.0008349400000000, -0.0000803300000000 ] - [ -0.0004483500000000, -0.0009231300000000, 0.0007856100000000 ] - [ -0.0015148600000000, 0.0015544100000000, -0.0009441000000000 ] - [ -0.0010716900000000, -0.0038067800000000, -0.0012451600000000 ] - [ 0.0930372200000000, -0.0626344200000000, 0.0432821000000000 ] - [ -0.0014272300000000, 0.0006514500000000, -0.0007487100000000 ] - [ -0.0009170400000000, 0.0006025100000000, 0.0007674500000000 ] - [ 0.0012200500000000, 0.0006719200000000, 0.0005603500000000 ] - [ -0.0007305400000000, -0.0003894200000000, 0.0005586300000000 ] - [ 0.0005635700000000, -0.0005905100000000, 0.0006078200000000 ] - [ 0.0011495600000000, -0.0004587900000000, -0.0006091200000000 ] - [ -0.0009357300000000, -0.0007755800000000, -0.0008842900000000 ] - [ 0.0010974300000000, -0.0006060300000000, -0.0001141400000000 ] - [ 0.0001024600000000, -0.0007561400000000, -0.0000983900000000 ] - [ -0.0007312500000000, -0.0009116300000000, -0.0008025800000000 ] - [ -0.0007445200000000, -0.0005892600000000, 0.0006598900000000 ] - [ -0.0068199000000000, 0.0003367200000000, 0.0022002300000000 ] - [ -0.0036385900000000, -0.0008013800000000, -0.0009448700000000 ] - [ 0.0012569300000000, 0.0015159900000000, -0.0001226300000000 ] - [ -0.0002378300000000, 0.0011531300000000, -0.0000297800000000 ] - [ -0.0025644600000000, -0.0009643400000000, 0.0005811600000000 ] - [ -0.0235479100000000, 0.0243243800000000, -0.0096624400000000 ] - [ 0.0037120800000000, -0.0002145100000000, -0.0003208000000000 ] - [ -0.0021409400000000, -0.0001203100000000, -0.0004578000000000 ] - [ 0.0013708200000000, 0.0001859200000000, -0.0005380800000000 ] - [ -0.0014375000000000, 0.0002150300000000, -0.0005041800000000 ] - [ -0.0015763400000000, 0.0001486500000000, -0.0001525000000000 ] - [ 0.0017177100000000, 0.0001192700000000, 0.0004984700000000 ] - [ -0.0015389800000000, 0.0058389800000000, 0.0011209100000000 ] - [ -0.0011048000000000, -0.0012910600000000, 0.0001159400000000 ] - [ -0.0009513100000000, -0.0017839400000000, 0.0002688400000000 ] - [ -0.0047328900000000, 0.0018774600000000, 0.0018971100000000 ] - [ -0.0001446100000000, 0.0011006900000000, -0.0004530900000000 ] - [ -0.0005168300000000, 0.0000793100000000, 0.0008050700000000 ] - [ 0.0010531000000000, 0.0000747700000000, -0.0009133000000000 ] - [ -0.0003909500000000, 0.0009161900000000, 0.0000509100000000 ] - [ 0.0010397200000000, 0.0006374400000000, 0.0008120600000000 ] - [ -0.0003833500000000, 0.0009217700000000, 0.0004530100000000 ] - [ -0.0043597300000000, 0.0015635800000000, -0.0038791700000000 ] - [ -0.0031008700000000, -0.0008068900000000, 0.0025795900000000 ] - [ -0.0009060800000000, -0.0013562100000000, 0.0005745000000000 ] - [ -0.0024704700000000, -0.0008496600000000, -0.0037419700000000 ] - [ 0.0074819300000000, -0.0064168600000000, 0.0026689100000000 ] - [ -0.0016733800000000, 0.0000247600000000, 0.0002659400000000 ] - [ -0.0013062900000000, 0.0003244000000000, -0.0007212000000000 ] - [ 0.0024282500000000, -0.0001457100000000, -0.0006089700000000 ] - [ 0.0007099700000000, 0.0000292300000000, 0.0006472500000000 ] - [ -0.0020905200000000, -0.0005349800000000, 0.0008804700000000 ] - [ 0.0014859300000000, -0.0007496700000000, 0.0006830100000000 ] - [ -0.0044547100000000, 0.0027477800000000, -0.0001728400000000 ] - [ -0.0508612600000000, 0.0353692000000000, -0.0260562600000000 ] - [ 0.0031932100000000, 0.0003582200000000, -0.0007744800000000 ] - [ -0.0000242400000000, 0.0000343800000000, 0.0029250500000000 ] - [ -0.0016285900000000, 0.0001604700000000, -0.0026382800000000 ] - [ -0.0005333800000000, 0.0002494000000000, 0.0000366000000000 ] - [ 0.0019888300000000, -0.0002275400000000, 0.0003387400000000 ] - [ -0.0033862200000000, -0.0033575300000000, 0.0009064400000000 ] - [ 0.0026730900000000, 0.0003151100000000, -0.0000788700000000 ] - [ 0.0026986900000000, 0.0040122300000000, -0.0018866400000000 ] - [ 0.0115701900000000, 0.0012753900000000, 0.0035195600000000 ] - [ 0.0014531800000000, -0.0002178200000000, -0.0000948800000000 ] - [ -0.0005736000000000, 0.0007945800000000, 0.0003199200000000 ] - [ -0.0034497100000000, -0.0001355600000000, 0.0001565800000000 ] - [ 0.0010148700000000, 0.0003562100000000, 0.0000458500000000 ] - [ -0.0084672900000000, 0.0004943900000000, -0.0006672200000000 ] - [ 0.0012866200000000, -0.0002673300000000, 0.0000861500000000 ] - [ 0.0018373500000000, 0.0002139200000000, 0.0001025700000000 ] - [ -0.0012704100000000, -0.0032961800000000, -0.0020506600000000 ] - [ -0.0009650500000000, 0.0008759800000000, -0.0007164500000000 ] - [ 0.0021877900000000, 0.0005303300000000, 0.0008010800000000 ] - [ -0.0000829400000000, -0.0002358800000000, 0.0003272600000000 ] - [ -0.0003737900000000, 0.0008818800000000, -0.0005920900000000 ] - [ -0.0001932800000000, -0.0002043400000000, -0.0007635900000000 ] - [ 0.0000057800000000, -0.0015746800000000, 0.0005841600000000 ] - [ -0.0151119700000000, 0.0038289300000000, -0.0078281700000000 ] - [ 0.0029066400000000, -0.0003456900000000, -0.0000164100000000 ] - [ 0.0011985500000000, 0.0004071700000000, -0.0005621300000000 ] - [ -0.0013899500000000, 0.0001853500000000, 0.0010828100000000 ] - [ -0.0017232500000000, 0.0002211400000000, 0.0006107300000000 ] - [ 0.0011828200000000, 0.0001707300000000, 0.0003496400000000 ] - [ -0.0020002400000000, -0.0000858500000000, -0.0001607000000000 ] - [ 0.0012523000000000, -0.0003183600000000, 0.0003727700000000 ] - [ 0.0027356500000000, -0.0000421300000000, 0.0000041600000000 ] - [ -0.0081681100000000, 0.0013513200000000, -0.0029786900000000 ] - [ -0.0010785900000000, 0.0036638000000000, 0.0005402700000000 ] - [ 0.0027130100000000, -0.0009563100000000, -0.0017529200000000 ] - [ 0.0034615500000000, -0.0025623400000000, -0.0030939500000000 ] - [ 0.0029721900000000, 0.0020250600000000, 0.0032483600000000 ] - [ 0.0019561200000000, 0.0011811300000000, 0.0027650700000000 ] - [ 0.0018483300000000, -0.0008341100000000, -0.0006197200000000 ] - [ -0.0020324700000000, -0.0008647600000000, -0.0014482200000000 ] - [ 0.0014393900000000, 0.0004561700000000, -0.0003418200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005931800000000, -0.0006433900000000, -0.0005083700000000 ] - [ -0.0008093000000000, -0.0018965400000000, 0.0006172100000000 ] - [ -0.0007652400000000, 0.0051874500000000, 0.0029427100000000 ] - [ -0.0002888500000000, -0.0000847400000000, 0.0004871000000000 ] - [ -0.0003695700000000, 0.0024577800000000, 0.0033269200000000 ] - [ -0.0003120300000000, 0.0004503900000000, 0.0006119300000000 ] - [ -0.0003155200000000, -0.0000848500000000, -0.0003606100000000 ] - [ 0.0029710300000000, -0.0014924000000000, 0.0013427000000000 ] - [ -0.0015366200000000, -0.0010163100000000, 0.0020486400000000 ] - [ 0.0005629900000000, -0.0000935400000000, 0.0003033100000000 ] - [ 0.0001793500000000, 0.0010688600000000, 0.0000132000000000 ] - [ -0.0006422000000000, 0.0007597200000000, 0.0001514600000000 ] - [ -0.0009679500000000, 0.0006151000000000, 0.0002739200000000 ] - [ 0.0001133600000000, 0.0003213900000000, -0.0000098300000000 ] - [ 0.0030180300000000, -0.0021340700000000, 0.0033012400000000 ] - [ 0.0000456800000000, -0.0006390700000000, 0.0005564700000000 ] - [ 0.0006548200000000, -0.0016157600000000, -0.0056595600000000 ] - [ -0.0003045400000000, 0.0000496000000000, 0.0005031200000000 ] - [ 0.0000887400000000, 0.0005232300000000, -0.0005658100000000 ] - [ -0.0000647600000000, 0.0013009000000000, -0.0011637500000000 ] - [ -0.0000791900000000, 0.0001888800000000, -0.0005631200000000 ] - [ 0.0006381200000000, 0.0014676200000000, -0.0013622600000000 ] - [ -0.0019263800000000, -0.0026091200000000, -0.0124188800000000 ] - [ -0.0002623000000000, -0.0005033600000000, 0.0004308400000000 ] - [ 0.0000949900000000, -0.0003800600000000, 0.0006142100000000 ] - [ -0.0000756700000000, -0.0004850800000000, 0.0007193500000000 ] - [ 0.0001623000000000, -0.0004314200000000, -0.0006153100000000 ] - [ -0.0000405400000000, -0.0002012600000000, -0.0008539700000000 ] - [ -0.0001338900000000, 0.0015133600000000, -0.0006175500000000 ] - [ 0.0004518300000000, -0.0004682900000000, 0.0006649200000000 ] - [ -0.0011600400000000, 0.0007264900000000, -0.0009896300000000 ] - [ 0.0039543700000000, 0.0034779200000000, -0.0000776800000000 ] - [ 0.0616873900000000, -0.2401261000000000, 0.1172737400000000 ] - [ -0.0000184000000000, 0.0001595200000000, -0.0005886200000000 ] - [ -0.0000338500000000, 0.0011753600000000, 0.0007306900000000 ] - [ 0.0000423500000000, 0.0039036200000000, 0.0012519700000000 ] - [ -0.0002442700000000, -0.0002011400000000, 0.0006236000000000 ] - [ -0.0000407800000000, 0.0001957700000000, 0.0004618700000000 ] - [ 0.0001810400000000, -0.0022676600000000, -0.0027912700000000 ] - [ -0.0001419500000000, -0.0008542500000000, -0.0008060500000000 ] - [ 0.0005869200000000, 0.0006071500000000, 0.0000272500000000 ] - [ 0.0006242400000000, -0.0003417500000000, -0.0000385800000000 ] - [ -0.0003383600000000, -0.0017982300000000, -0.0000183800000000 ] - [ -0.0006279300000000, -0.0015371700000000, -0.0002060100000000 ] - [ -0.0011553700000000, -0.0018949600000000, 0.0003646300000000 ] - [ -0.0018682800000000, -0.0025698900000000, 0.0004026600000000 ] - [ 0.0011579400000000, 0.0063044500000000, 0.0002399800000000 ] - [ 0.0003559200000000, 0.0015429100000000, -0.0000599800000000 ] - [ 0.0004252400000000, -0.0007779300000000, 0.0004741900000000 ] - [ -0.0263620300000000, 0.0086063800000000, -0.0075467000000000 ] - [ 0.0003828000000000, 0.0057391400000000, -0.0009609300000000 ] - [ -0.0004573300000000, 0.0001417800000000, -0.0004395500000000 ] - [ -0.0001435700000000, 0.0007004600000000, -0.0004785700000000 ] - [ -0.0003158900000000, 0.0003221000000000, -0.0004856200000000 ] - [ -0.0003874600000000, -0.0000817700000000, 0.0001260700000000 ] - [ 0.0008188300000000, -0.0001366900000000, -0.0000913900000000 ] - [ -0.0063091400000000, 0.0058706800000000, 0.0008964000000000 ] - [ 0.0008064600000000, -0.0007251900000000, -0.0001501700000000 ] - [ 0.0022817500000000, -0.0010335000000000, -0.0003118300000000 ] - [ -0.0039840100000000, 0.0011040700000000, 0.0014989700000000 ] - [ -0.0005101100000000, 0.0006577600000000, 0.0001041800000000 ] - [ 0.0000232900000000, 0.0007041500000000, 0.0000005500000000 ] - [ 0.0003546400000000, 0.0008959300000000, 0.0000594000000000 ] - [ 0.0000711600000000, 0.0007403700000000, -0.0000634200000000 ] - [ 0.0009998900000000, 0.0018901100000000, -0.0004830300000000 ] - [ 0.0001427700000000, 0.0009937000000000, 0.0005117900000000 ] - [ -0.0025943400000000, 0.0008923700000000, -0.0023772400000000 ] - [ 0.0006170500000000, 0.0008211500000000, -0.0015450200000000 ] - [ 0.0001680600000000, -0.0013852200000000, -0.0008612500000000 ] - [ -0.0027457100000000, -0.0014821500000000, -0.0028605200000000 ] - [ 0.0034289300000000, 0.0273427300000000, -0.0050253700000000 ] - [ -0.0005491700000000, 0.0003664400000000, 0.0005314000000000 ] - [ 0.0000857200000000, 0.0004782900000000, 0.0020451600000000 ] - [ 0.0009766700000000, 0.0002270400000000, -0.0006537300000000 ] - [ -0.0004819000000000, -0.0005224400000000, 0.0006558100000000 ] - [ -0.0004532800000000, -0.0010638900000000, 0.0012391200000000 ] - [ 0.0000277600000000, -0.0010125000000000, 0.0006992900000000 ] - [ -0.0035677000000000, -0.0056084600000000, 0.0015980500000000 ] - [ -0.0318532100000000, 0.1769905800000000, -0.0930831800000000 ] - [ 0.0006319000000000, 0.0006383000000000, -0.0005850300000000 ] - [ -0.0005231100000000, 0.0011464700000000, 0.0014042000000000 ] - [ -0.0014583200000000, 0.0008604300000000, 0.0006150100000000 ] - [ 0.0005464700000000, -0.0015209900000000, 0.0008674900000000 ] - [ 0.0010045400000000, -0.0004523100000000, 0.0002549900000000 ] - [ 0.0030562200000000, -0.0081802900000000, 0.0019355900000000 ] - [ 0.0008011800000000, -0.0007797600000000, 0.0000687600000000 ] - [ -0.0022508500000000, 0.0028640000000000, 0.0002567000000000 ] - [ 0.0106569000000000, 0.0041088300000000, 0.0018581500000000 ] - [ 0.0009141600000000, -0.0000901700000000, -0.0001709700000000 ] - [ -0.0004580000000000, -0.0007973700000000, -0.0008187900000000 ] - [ -0.0002446500000000, 0.0014214500000000, -0.0020243700000000 ] - [ -0.0003276800000000, 0.0003105300000000, -0.0000650000000000 ] - [ -0.0002149800000000, 0.0109467300000000, 0.0061084900000000 ] - [ -0.0002187100000000, 0.0000494600000000, 0.0000444300000000 ] - [ -0.0000050400000000, -0.0005641800000000, -0.0002029300000000 ] - [ 0.0028702800000000, -0.0036607800000000, -0.0028517500000000 ] - [ -0.0015867000000000, 0.0020161500000000, 0.0018056100000000 ] - [ 0.0011869500000000, 0.0009124700000000, 0.0006233300000000 ] - [ -0.0000105300000000, -0.0006615500000000, -0.0000181200000000 ] - [ -0.0007826600000000, -0.0002108600000000, -0.0000488000000000 ] - [ -0.0013221700000000, -0.0018256300000000, 0.0002461500000000 ] - [ -0.0000633600000000, -0.0019607100000000, 0.0001743700000000 ] - [ -0.0020515100000000, 0.0076404700000000, -0.0022885300000000 ] - [ 0.0003439200000000, 0.0001257900000000, 0.0000389900000000 ] - [ -0.0000249800000000, 0.0007212100000000, -0.0003064300000000 ] - [ 0.0014855600000000, 0.0023039600000000, 0.0016262400000000 ] - [ -0.0002968700000000, -0.0017083600000000, 0.0005887100000000 ] - [ 0.0001371300000000, -0.0000202000000000, 0.0003613200000000 ] - [ 0.0005761400000000, -0.0066532600000000, 0.0029921200000000 ] - [ 0.0002041800000000, -0.0005827200000000, 0.0004291300000000 ] - [ 0.0006811700000000, 0.0005352400000000, -0.0004346500000000 ] - [ -0.0018744800000000, 0.0082821500000000, -0.0002606300000000 ] - [ -0.0088608700000000, -0.0062298000000000, -0.0088976100000000 ] - [ 0.0010817700000000, -0.0007660800000000, -0.0016622700000000 ] - [ 0.0044197400000000, 0.0013675500000000, -0.0011699300000000 ] - [ -0.0027518300000000, 0.0015241200000000, -0.0001788000000000 ] - [ -0.0010788500000000, 0.0003035800000000, -0.0003348100000000 ] - [ 0.0008146700000000, 0.0003126500000000, 0.0003828300000000 ] - [ 0.0010536000000000, -0.0009252000000000, -0.0025340800000000 ] - [ -0.0005973400000000, -0.0000838200000000, -0.0008623600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001951800000000, 0.0001541700000000, -0.0004943700000000 ] - [ 0.0012024700000000, 0.0014212300000000, -0.0016152200000000 ] - [ 0.0003615900000000, -0.0056611100000000, -0.0019237700000000 ] - [ -0.0001100300000000, -0.0004078600000000, 0.0005167000000000 ] - [ -0.0000236000000000, -0.0019669100000000, -0.0023449700000000 ] - [ -0.0000865100000000, 0.0000412000000000, 0.0003906900000000 ] - [ 0.0007121900000000, 0.0005728500000000, -0.0006434100000000 ] - [ -0.0025623700000000, 0.0019656100000000, -0.0023423900000000 ] - [ 0.0021654400000000, 0.0015985200000000, -0.0014606800000000 ] - [ 0.0000778200000000, 0.0006926000000000, 0.0002843100000000 ] - [ -0.0008211100000000, -0.0004608400000000, -0.0006044100000000 ] - [ 0.0000030100000000, -0.0001551600000000, -0.0007409400000000 ] - [ 0.0003245200000000, -0.0012186500000000, -0.0008557600000000 ] - [ -0.0007502200000000, -0.0009240000000000, -0.0005743500000000 ] - [ -0.0023725900000000, 0.0015535400000000, -0.0027139900000000 ] - [ 0.0005925000000000, 0.0000412900000000, 0.0000296000000000 ] - [ -0.0008917500000000, 0.0020833100000000, 0.0067022100000000 ] - [ 0.0000669500000000, 0.0004582000000000, 0.0005117300000000 ] - [ 0.0001460700000000, -0.0000137000000000, -0.0004455900000000 ] - [ 0.0003064000000000, -0.0007858500000000, 0.0001563600000000 ] - [ 0.0003148800000000, -0.0006968500000000, -0.0004534800000000 ] - [ -0.0003940400000000, -0.0019762900000000, 0.0003411400000000 ] - [ 0.0016902000000000, 0.0022325200000000, 0.0133372100000000 ] - [ 0.0000252400000000, -0.0000058600000000, 0.0005811900000000 ] - [ -0.0001369500000000, -0.0006094000000000, 0.0008139400000000 ] - [ 0.0000271500000000, -0.0004912500000000, 0.0006969500000000 ] - [ -0.0001143800000000, -0.0005421800000000, -0.0008014400000000 ] - [ 0.0000893100000000, -0.0007662300000000, -0.0005614800000000 ] - [ 0.0008892100000000, -0.0029213400000000, 0.0019403900000000 ] - [ 0.0003086500000000, -0.0009375200000000, 0.0006689700000000 ] - [ 0.0012025100000000, 0.0002444000000000, -0.0004288700000000 ] - [ -0.0038764000000000, -0.0025086100000000, -0.0013387300000000 ] - [ -0.0642102200000000, 0.2496056300000000, -0.1264002100000000 ] - [ 0.0001805300000000, 0.0009444600000000, -0.0007714400000000 ] - [ -0.0001330500000000, -0.0000721400000000, 0.0006281000000000 ] - [ -0.0001913100000000, -0.0027952300000000, 0.0001082800000000 ] - [ 0.0000797100000000, -0.0009026700000000, 0.0007343000000000 ] - [ -0.0001201300000000, -0.0012991500000000, 0.0008967400000000 ] - [ -0.0000160800000000, 0.0011575900000000, 0.0014256100000000 ] - [ 0.0003044100000000, -0.0002502700000000, -0.0005531500000000 ] - [ 0.0005892400000000, -0.0020169000000000, -0.0001298800000000 ] - [ 0.0005517800000000, -0.0010719400000000, -0.0000645700000000 ] - [ -0.0008361600000000, 0.0003850500000000, 0.0001225400000000 ] - [ -0.0005514800000000, 0.0001256200000000, 0.0003120600000000 ] - [ 0.0000053400000000, 0.0033059400000000, -0.0002678300000000 ] - [ 0.0006898600000000, 0.0039830200000000, -0.0003048900000000 ] - [ 0.0000033900000000, -0.0048970900000000, -0.0003476800000000 ] - [ 0.0008212900000000, -0.0001293100000000, -0.0000441400000000 ] - [ -0.0001073400000000, 0.0004336000000000, 0.0004330100000000 ] - [ 0.0269037800000000, -0.0089625900000000, 0.0085423900000000 ] - [ -0.0006959400000000, -0.0060419700000000, 0.0000534500000000 ] - [ 0.0001381800000000, -0.0004914800000000, -0.0004672000000000 ] - [ -0.0001722000000000, -0.0003462200000000, -0.0004286200000000 ] - [ -0.0000034200000000, 0.0000273900000000, -0.0004211800000000 ] - [ 0.0007050200000000, 0.0004295800000000, 0.0007827600000000 ] - [ -0.0005047200000000, 0.0004802700000000, 0.0010039900000000 ] - [ 0.0067385100000000, -0.0071163900000000, -0.0010759800000000 ] - [ -0.0003006900000000, -0.0005499400000000, -0.0000451100000000 ] - [ -0.0028011400000000, -0.0002293300000000, 0.0005090700000000 ] - [ 0.0034816200000000, -0.0023757200000000, -0.0013048700000000 ] - [ 0.0000063300000000, 0.0006115100000000, 0.0000923800000000 ] - [ -0.0005292100000000, 0.0005630700000000, 0.0002001400000000 ] - [ 0.0001487300000000, 0.0003824200000000, -0.0002526500000000 ] - [ 0.0004303000000000, 0.0005343900000000, -0.0001303000000000 ] - [ -0.0002402200000000, -0.0004773700000000, 0.0018257600000000 ] - [ 0.0006185500000000, 0.0004110000000000, 0.0008241800000000 ] - [ 0.0018427700000000, 0.0005121300000000, 0.0010512800000000 ] - [ -0.0013962200000000, 0.0005723000000000, 0.0002321900000000 ] - [ -0.0009271600000000, -0.0000139000000000, -0.0004714700000000 ] - [ 0.0019839800000000, 0.0000799800000000, 0.0015309500000000 ] - [ -0.0035296500000000, -0.0268323000000000, 0.0065889700000000 ] - [ 0.0005011000000000, 0.0006096100000000, 0.0008851400000000 ] - [ 0.0010036100000000, -0.0006722700000000, -0.0033543300000000 ] - [ 0.0001127600000000, -0.0004305600000000, -0.0006380800000000 ] - [ -0.0006064400000000, 0.0003149400000000, 0.0006330700000000 ] - [ -0.0006380900000000, 0.0008486900000000, 0.0000485400000000 ] - [ -0.0011138000000000, 0.0012175600000000, 0.0005949100000000 ] - [ 0.0024417600000000, 0.0058054000000000, -0.0002992000000000 ] - [ 0.0355041600000000, -0.1852087400000000, 0.0987938600000000 ] - [ 0.0004571100000000, -0.0004337600000000, -0.0007049100000000 ] - [ -0.0011193800000000, -0.0011534300000000, -0.0015537400000000 ] - [ -0.0001833100000000, -0.0008700600000000, -0.0007708000000000 ] - [ 0.0010947700000000, 0.0015014000000000, -0.0007279000000000 ] - [ 0.0006396300000000, 0.0004415600000000, -0.0001142500000000 ] - [ -0.0013884200000000, 0.0081809700000000, -0.0017769400000000 ] - [ 0.0008419800000000, 0.0007886900000000, 0.0000745800000000 ] - [ 0.0006074700000000, -0.0028821200000000, -0.0004002600000000 ] - [ -0.0122805700000000, -0.0041039000000000, -0.0019923400000000 ] - [ -0.0000100400000000, 0.0004368700000000, 0.0000771900000000 ] - [ 0.0013528500000000, 0.0011444300000000, 0.0007187900000000 ] - [ -0.0006597600000000, -0.0010956700000000, 0.0021168200000000 ] - [ -0.0005727700000000, 0.0000339000000000, 0.0001575000000000 ] - [ -0.0006717600000000, -0.0108909500000000, -0.0054283800000000 ] - [ -0.0006836300000000, -0.0003932600000000, 0.0000475400000000 ] - [ 0.0009108000000000, 0.0002160100000000, 0.0001120800000000 ] - [ -0.0019892500000000, 0.0033074700000000, 0.0027687700000000 ] - [ 0.0026045000000000, -0.0011625200000000, -0.0013177300000000 ] - [ -0.0001424400000000, -0.0000585400000000, -0.0001475600000000 ] - [ -0.0010268700000000, 0.0015175200000000, -0.0004556300000000 ] - [ -0.0002634800000000, 0.0010684000000000, -0.0004256500000000 ] - [ 0.0002879900000000, 0.0009688300000000, -0.0007291400000000 ] - [ -0.0009840600000000, 0.0011029500000000, -0.0006538900000000 ] - [ 0.0030118800000000, -0.0085278000000000, 0.0026984900000000 ] - [ 0.0007033600000000, -0.0009794100000000, 0.0004410300000000 ] - [ 0.0000060500000000, -0.0002389400000000, -0.0004206100000000 ] - [ -0.0014809100000000, -0.0018125600000000, -0.0023407300000000 ] - [ 0.0003123900000000, 0.0021938100000000, 0.0001467300000000 ] - [ -0.0001181600000000, 0.0005025500000000, 0.0003651300000000 ] - [ -0.0005665500000000, 0.0061748600000000, -0.0022931500000000 ] - [ -0.0001840900000000, 0.0000988000000000, 0.0002970000000000 ] - [ -0.0007028700000000, -0.0010171000000000, -0.0002919300000000 ] - [ 0.0018733400000000, -0.0087476600000000, -0.0004776400000000 ] - [ 0.0083354200000000, 0.0061451600000000, 0.0074738900000000 ] - [ -0.0016605500000000, 0.0006787500000000, 0.0001765300000000 ] - [ -0.0038302900000000, -0.0014248200000000, 0.0026542900000000 ] - [ 0.0033251500000000, -0.0015968500000000, 0.0016611000000000 ] - [ 0.0016547200000000, -0.0002275000000000, 0.0018197100000000 ] - [ -0.0002287200000000, -0.0002369700000000, 0.0011028900000000 ] - [ -0.0016239900000000, 0.0010141800000000, 0.0010323300000000 ] - [ 0.0000194400000000, 0.0001692100000000, -0.0006276700000000 ]- atom: 33 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0010882000000000, 0.0000065200000000, -0.0005656300000000 ] - [ -0.0021571700000000, 0.0026388600000000, 0.0011471500000000 ] - [ -0.0012681800000000, 0.0033793300000000, 0.0036128000000000 ] - [ -0.0000540800000000, -0.0002016900000000, 0.0005476400000000 ] - [ -0.0003930700000000, 0.0010051900000000, -0.0002512700000000 ] - [ -0.0001332800000000, 0.0003270500000000, 0.0004398600000000 ] - [ -0.0003478900000000, 0.0002273400000000, -0.0004654900000000 ] - [ 0.0041096700000000, 0.0020380700000000, 0.0002545000000000 ] - [ -0.0026073100000000, 0.0019913300000000, 0.0016658100000000 ] - [ 0.0010164900000000, 0.0003961100000000, 0.0005527900000000 ] - [ 0.0002169000000000, 0.0013049400000000, -0.0003375900000000 ] - [ -0.0006083400000000, 0.0006844100000000, -0.0005354600000000 ] - [ -0.0011731400000000, 0.0001160900000000, -0.0005364200000000 ] - [ 0.0003246500000000, 0.0000692900000000, -0.0001424600000000 ] - [ 0.0038742300000000, 0.0040083900000000, 0.0029950700000000 ] - [ -0.0000872400000000, -0.0000475200000000, 0.0000117600000000 ] - [ -0.0018850100000000, -0.0036097900000000, 0.0174792000000000 ] - [ 0.0000560800000000, 0.0002425000000000, 0.0006410600000000 ] - [ -0.0000186900000000, 0.0003010300000000, -0.0002702000000000 ] - [ 0.0007523700000000, -0.0001848900000000, 0.0001585700000000 ] - [ 0.0003381500000000, -0.0003411800000000, -0.0007607400000000 ] - [ -0.0000974700000000, -0.0007714700000000, -0.0010014800000000 ] - [ 0.0045689700000000, -0.0192504200000000, 0.0318001700000000 ] - [ -0.0000534200000000, -0.0002717600000000, 0.0004062200000000 ] - [ 0.0009919800000000, -0.0022739300000000, 0.0039881600000000 ] - [ 0.0001392100000000, -0.0006269700000000, 0.0009604900000000 ] - [ 0.0000963600000000, -0.0003546000000000, -0.0003352200000000 ] - [ 0.0006337200000000, -0.0003385600000000, 0.0008863200000000 ] - [ 0.0005886900000000, -0.0022633000000000, -0.0000047700000000 ] - [ 0.0002947600000000, -0.0008465800000000, 0.0004647000000000 ] - [ -0.0000017500000000, 0.0004269000000000, -0.0011440200000000 ] - [ -0.0005507700000000, -0.0000907500000000, -0.0029848200000000 ] - [ -0.0415942400000000, 0.1225947500000000, -0.1756629700000000 ] - [ 0.0001210100000000, 0.0006448600000000, -0.0010195000000000 ] - [ -0.0001868000000000, 0.0005016400000000, 0.0003347800000000 ] - [ 0.0000644600000000, -0.0000139200000000, -0.0000608000000000 ] - [ 0.0000227200000000, -0.0006032700000000, 0.0009968800000000 ] - [ 0.0000011900000000, -0.0007689600000000, 0.0015089700000000 ] - [ 0.0000232700000000, 0.0015561400000000, 0.0050780800000000 ] - [ 0.0002646400000000, -0.0004302700000000, -0.0003598700000000 ] - [ 0.0002785600000000, -0.0009106600000000, 0.0009740800000000 ] - [ 0.0006502900000000, -0.0007488500000000, 0.0001822100000000 ] - [ -0.0007802700000000, -0.0005419700000000, 0.0016676300000000 ] - [ -0.0004780700000000, -0.0003884000000000, 0.0014310900000000 ] - [ -0.0008842000000000, 0.0009441300000000, -0.0020555800000000 ] - [ -0.0003937900000000, 0.0013781100000000, -0.0015828200000000 ] - [ 0.0003870300000000, 0.0001636200000000, -0.0009328700000000 ] - [ 0.0007363300000000, 0.0005450900000000, -0.0003125200000000 ] - [ 0.0000014400000000, -0.0001531200000000, 0.0000898900000000 ] - [ 0.0054259800000000, -0.0045671000000000, -0.0064331600000000 ] - [ -0.0002822500000000, -0.0004094100000000, -0.0023783500000000 ] - [ -0.0000632500000000, -0.0001901300000000, -0.0006288500000000 ] - [ -0.0002753600000000, 0.0001775100000000, 0.0005582300000000 ] - [ -0.0000241100000000, 0.0002106000000000, -0.0002833500000000 ] - [ 0.0007838200000000, 0.0001552200000000, 0.0012877900000000 ] - [ -0.0011124400000000, 0.0000883700000000, 0.0030432400000000 ] - [ 0.0000335600000000, -0.0004425900000000, -0.0035838600000000 ] - [ 0.0002916500000000, -0.0005946400000000, -0.0004232600000000 ] - [ -0.0003732000000000, -0.0006269100000000, -0.0008482300000000 ] - [ 0.0011279900000000, -0.0013379700000000, -0.0008631800000000 ] - [ -0.0007087400000000, 0.0001623900000000, 0.0015068900000000 ] - [ -0.0004829300000000, 0.0001038000000000, 0.0012240700000000 ] - [ -0.0003463400000000, 0.0011738600000000, 0.0018115200000000 ] - [ 0.0003508400000000, 0.0007070600000000, 0.0001515700000000 ] - [ -0.0006443200000000, -0.0001320400000000, 0.0014978400000000 ] - [ 0.0006241100000000, 0.0006569000000000, 0.0008880100000000 ] - [ 0.0033224200000000, -0.0001818800000000, 0.0024114700000000 ] - [ -0.0027680300000000, -0.0003945600000000, 0.0018720500000000 ] - [ -0.0014301500000000, -0.0007906000000000, -0.0012561300000000 ] - [ 0.0009862800000000, -0.0009203900000000, -0.0010915500000000 ] - [ -0.0008658300000000, -0.0019540500000000, -0.0068559500000000 ] - [ 0.0001266400000000, 0.0005224700000000, 0.0005758200000000 ] - [ 0.0010697200000000, 0.0003110900000000, -0.0095406700000000 ] - [ 0.0000574300000000, -0.0001193400000000, -0.0010118400000000 ] - [ -0.0006239900000000, -0.0001912300000000, 0.0001980900000000 ] - [ -0.0010131900000000, 0.0000517600000000, -0.0009702000000000 ] - [ -0.0006668400000000, 0.0001816000000000, 0.0011560400000000 ] - [ -0.0003919300000000, 0.0010587000000000, 0.0019374300000000 ] - [ 0.0245968100000000, -0.0966228600000000, 0.1084518900000000 ] - [ 0.0005351100000000, -0.0000608700000000, -0.0003310000000000 ] - [ -0.0010506700000000, 0.0001054000000000, -0.0032470900000000 ] - [ -0.0002008900000000, -0.0001847000000000, -0.0026447700000000 ] - [ 0.0015231800000000, -0.0001879300000000, -0.0020495300000000 ] - [ 0.0006474000000000, -0.0000409600000000, -0.0003276700000000 ] - [ 0.0006023000000000, 0.0010707300000000, 0.0026153200000000 ] - [ 0.0007459200000000, 0.0000840000000000, 0.0004998200000000 ] - [ -0.0001341300000000, 0.0000263500000000, 0.0012667000000000 ] - [ -0.0046053600000000, -0.0007211500000000, 0.0004369400000000 ] - [ 0.0006262100000000, 0.0002224400000000, -0.0005241600000000 ] - [ -0.0002790400000000, -0.0001188300000000, -0.0016024600000000 ] - [ -0.0002506900000000, -0.0031051700000000, -0.0043489300000000 ] - [ -0.0006677800000000, 0.0000376400000000, -0.0002069100000000 ] - [ 0.0007916400000000, 0.0029776500000000, 0.0174421400000000 ] - [ -0.0005155300000000, -0.0001812300000000, 0.0003011600000000 ] - [ 0.0002206700000000, -0.0003083200000000, 0.0004354600000000 ] - [ 0.0008045600000000, -0.0005815200000000, 0.0017489500000000 ] - [ 0.0056828800000000, 0.0006271900000000, -0.0043000600000000 ] - [ -0.0000186700000000, 0.0003901400000000, -0.0002719500000000 ] - [ -0.0007717600000000, 0.0009595700000000, -0.0008504900000000 ] - [ -0.0004825100000000, 0.0009320900000000, -0.0005824700000000 ] - [ 0.0001024700000000, -0.0003221700000000, 0.0002483600000000 ] - [ -0.0010538500000000, -0.0000554300000000, -0.0000045600000000 ] - [ 0.0060740000000000, -0.0032208200000000, 0.0127580100000000 ] - [ 0.0010947300000000, -0.0005158800000000, 0.0008557100000000 ] - [ 0.0002252500000000, 0.0001898900000000, -0.0009457400000000 ] - [ -0.0048322100000000, -0.0006560000000000, -0.0053821400000000 ] - [ 0.0003068600000000, 0.0011589500000000, -0.0005667300000000 ] - [ -0.0001017000000000, 0.0003149600000000, 0.0002125000000000 ] - [ 0.0000068600000000, 0.0009584800000000, 0.0013990500000000 ] - [ -0.0000802200000000, -0.0002209300000000, 0.0004945300000000 ] - [ -0.0008864100000000, -0.0004092200000000, 0.0005254800000000 ] - [ 0.0023847500000000, -0.0000209100000000, 0.0052245200000000 ] - [ 0.0004526400000000, -0.0026961900000000, 0.0031122700000000 ] - [ -0.0006438000000000, -0.0000394100000000, 0.0002427200000000 ] - [ 0.0021525000000000, -0.0006668800000000, 0.0028789000000000 ] - [ -0.0016884600000000, -0.0009999400000000, 0.0029921500000000 ] - [ -0.0012255000000000, -0.0011259200000000, -0.0019462700000000 ] - [ 0.0014911400000000, -0.0008962200000000, -0.0010301200000000 ] - [ 0.0010003900000000, -0.0002998000000000, -0.0042435500000000 ] - [ -0.0005938400000000, 0.0000364800000000, -0.0016408600000000 ]- atom: 33 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0006852000000000, -0.0005000600000000, -0.0004402400000000 ] - [ 0.0025738700000000, -0.0031414500000000, -0.0021492900000000 ] - [ 0.0008568400000000, -0.0038359200000000, -0.0025895200000000 ] - [ -0.0003539900000000, -0.0002894100000000, 0.0004603500000000 ] - [ -0.0000149400000000, -0.0005121800000000, 0.0012815700000000 ] - [ -0.0002743100000000, 0.0001643300000000, 0.0005712800000000 ] - [ 0.0007524300000000, 0.0002628100000000, -0.0005477100000000 ] - [ -0.0036845600000000, -0.0015460000000000, -0.0012774300000000 ] - [ 0.0032295900000000, -0.0013836800000000, -0.0010868000000000 ] - [ -0.0003787100000000, 0.0002064300000000, 0.0000301500000000 ] - [ -0.0008522600000000, -0.0007019800000000, -0.0002421000000000 ] - [ -0.0000278700000000, -0.0000784400000000, -0.0000435800000000 ] - [ 0.0005332800000000, -0.0007204700000000, -0.0000554400000000 ] - [ -0.0009583400000000, -0.0006736500000000, -0.0004471500000000 ] - [ -0.0032556500000000, -0.0046387500000000, -0.0024049000000000 ] - [ 0.0007254100000000, -0.0005600800000000, 0.0005798600000000 ] - [ 0.0016784100000000, 0.0042010600000000, -0.0166846100000000 ] - [ -0.0002918400000000, 0.0002733100000000, 0.0003762600000000 ] - [ 0.0002513200000000, 0.0002162800000000, -0.0007447600000000 ] - [ -0.0005152000000000, 0.0006998400000000, -0.0011797900000000 ] - [ -0.0001050900000000, -0.0001736600000000, -0.0002537100000000 ] - [ 0.0003341800000000, 0.0002598600000000, -0.0000058500000000 ] - [ -0.0047309600000000, 0.0183642300000000, -0.0302085600000000 ] - [ -0.0001814300000000, -0.0002460100000000, 0.0006047400000000 ] - [ -0.0010440600000000, 0.0013170400000000, -0.0025827400000000 ] - [ -0.0001858400000000, -0.0003452200000000, 0.0004560100000000 ] - [ -0.0000524400000000, -0.0006194300000000, -0.0010829600000000 ] - [ -0.0005822500000000, -0.0006364500000000, -0.0023011300000000 ] - [ 0.0001764500000000, 0.0008666300000000, 0.0013545100000000 ] - [ 0.0004721100000000, -0.0005593100000000, 0.0008772800000000 ] - [ 0.0000495700000000, 0.0005448600000000, -0.0002721200000000 ] - [ 0.0005864300000000, 0.0010484100000000, 0.0015686700000000 ] - [ 0.0409813800000000, -0.1183169600000000, 0.1726421300000000 ] - [ 0.0000436800000000, 0.0004568500000000, -0.0003404600000000 ] - [ 0.0000210700000000, 0.0006008700000000, 0.0010251000000000 ] - [ -0.0002322600000000, 0.0011246800000000, 0.0014210800000000 ] - [ -0.0001903100000000, -0.0004980300000000, 0.0003631500000000 ] - [ -0.0001644100000000, -0.0003320100000000, -0.0001481200000000 ] - [ 0.0001415300000000, -0.0026625200000000, -0.0064441600000000 ] - [ -0.0001004200000000, -0.0006736000000000, -0.0010026600000000 ] - [ 0.0008992500000000, -0.0004960900000000, -0.0010787300000000 ] - [ 0.0005300800000000, -0.0006625800000000, -0.0002878500000000 ] - [ -0.0004039500000000, -0.0008714300000000, -0.0015624200000000 ] - [ -0.0006960800000000, -0.0010252900000000, -0.0013233400000000 ] - [ -0.0002702800000000, 0.0004602400000000, 0.0021560200000000 ] - [ -0.0008022900000000, 0.0000160700000000, 0.0016892100000000 ] - [ 0.0007980500000000, 0.0012624100000000, 0.0008337100000000 ] - [ 0.0004410000000000, 0.0008707700000000, 0.0002080200000000 ] - [ 0.0003224700000000, -0.0001964500000000, 0.0008221200000000 ] - [ -0.0053034300000000, 0.0043284200000000, 0.0072278100000000 ] - [ -0.0000342300000000, 0.0000673300000000, 0.0014648400000000 ] - [ -0.0002562300000000, -0.0001594900000000, -0.0002848000000000 ] - [ -0.0000425600000000, 0.0001682000000000, -0.0014692700000000 ] - [ -0.0002959200000000, 0.0001398100000000, -0.0006315100000000 ] - [ -0.0004730000000000, 0.0001945100000000, -0.0003773400000000 ] - [ 0.0014499600000000, 0.0002652400000000, -0.0021375200000000 ] - [ 0.0004875200000000, -0.0008556700000000, 0.0033893200000000 ] - [ 0.0002121500000000, -0.0006766500000000, 0.0002284300000000 ] - [ -0.0001186100000000, -0.0006437000000000, 0.0010415100000000 ] - [ -0.0016675300000000, 0.0000826400000000, 0.0010718100000000 ] - [ 0.0001983900000000, 0.0011098000000000, -0.0013135700000000 ] - [ -0.0000185800000000, 0.0011709200000000, -0.0010319900000000 ] - [ 0.0008512600000000, 0.0000924600000000, -0.0020049700000000 ] - [ 0.0001560900000000, 0.0005642200000000, -0.0003467100000000 ] - [ 0.0014079400000000, 0.0015336900000000, -0.0001681900000000 ] - [ 0.0001417900000000, 0.0007508900000000, 0.0004491600000000 ] - [ -0.0041102200000000, 0.0015935300000000, -0.0037642100000000 ] - [ 0.0020086900000000, 0.0018047000000000, -0.0032095900000000 ] - [ 0.0006599600000000, -0.0006173700000000, -0.0000939100000000 ] - [ -0.0017646800000000, -0.0004925400000000, -0.0002774500000000 ] - [ 0.0008338500000000, 0.0030724600000000, 0.0082067600000000 ] - [ -0.0001766600000000, 0.0004502200000000, 0.0008399100000000 ] - [ 0.0000178200000000, -0.0005173100000000, 0.0082599900000000 ] - [ 0.0010412100000000, -0.0000798700000000, -0.0002831100000000 ] - [ -0.0004677500000000, -0.0000096500000000, 0.0010956700000000 ] - [ -0.0000871700000000, -0.0002471400000000, 0.0022639100000000 ] - [ -0.0004273500000000, 0.0000197100000000, 0.0001351500000000 ] - [ -0.0007122900000000, -0.0008569300000000, -0.0006561900000000 ] - [ -0.0224535600000000, 0.0927415800000000, -0.1083405400000000 ] - [ 0.0005578200000000, 0.0002658300000000, -0.0009593300000000 ] - [ -0.0005892500000000, -0.0001132200000000, 0.0031066200000000 ] - [ -0.0014601200000000, 0.0001746500000000, 0.0024920300000000 ] - [ 0.0001268400000000, 0.0001816000000000, 0.0021985300000000 ] - [ 0.0009994100000000, 0.0000320300000000, 0.0004777100000000 ] - [ 0.0010553800000000, -0.0010719600000000, -0.0024902700000000 ] - [ 0.0009032300000000, -0.0000774600000000, -0.0003561200000000 ] - [ -0.0015248000000000, -0.0000219600000000, -0.0013983800000000 ] - [ 0.0030601700000000, 0.0007576700000000, -0.0005556900000000 ] - [ 0.0002785300000000, 0.0001202200000000, 0.0004340100000000 ] - [ 0.0011737200000000, 0.0004575500000000, 0.0015123900000000 ] - [ -0.0006501700000000, 0.0034790000000000, 0.0044485700000000 ] - [ -0.0002322900000000, 0.0003079700000000, 0.0002975400000000 ] - [ -0.0016601900000000, -0.0026601500000000, -0.0167175400000000 ] - [ -0.0003856700000000, -0.0001615500000000, -0.0002077700000000 ] - [ 0.0006798400000000, -0.0000363500000000, -0.0005318900000000 ] - [ 0.0001055000000000, 0.0002239100000000, -0.0018705100000000 ] - [ -0.0046097000000000, 0.0002281500000000, 0.0047739500000000 ] - [ 0.0010638500000000, 0.0004656200000000, 0.0007536200000000 ] - [ -0.0002681200000000, -0.0001114700000000, 0.0003705300000000 ] - [ -0.0005621700000000, -0.0000821400000000, 0.0001018800000000 ] - [ -0.0011486500000000, -0.0005350700000000, -0.0007163000000000 ] - [ 0.0000137400000000, -0.0008055700000000, -0.0004628600000000 ] - [ -0.0055627600000000, 0.0026004600000000, -0.0126064100000000 ] - [ -0.0000521900000000, -0.0003355400000000, -0.0003853000000000 ] - [ -0.0002413200000000, 0.0002962100000000, 0.0002218300000000 ] - [ 0.0047801300000000, 0.0011403000000000, 0.0046562400000000 ] - [ -0.0002909200000000, -0.0006853800000000, 0.0012858300000000 ] - [ 0.0001208900000000, 0.0001682200000000, 0.0005120700000000 ] - [ 0.0000140600000000, -0.0014639400000000, -0.0006411800000000 ] - [ 0.0001007800000000, -0.0002649700000000, 0.0002350600000000 ] - [ 0.0008707700000000, -0.0000730300000000, -0.0012607800000000 ] - [ -0.0021171700000000, -0.0003983800000000, -0.0061241200000000 ] - [ -0.0010749500000000, 0.0025933600000000, -0.0046666600000000 ] - [ 0.0000750100000000, -0.0000467500000000, -0.0017428800000000 ] - [ -0.0015742700000000, 0.0005915200000000, -0.0013695700000000 ] - [ 0.0022685200000000, 0.0009243100000000, -0.0014869000000000 ] - [ 0.0018081500000000, 0.0012162000000000, 0.0034272700000000 ] - [ -0.0009191600000000, 0.0009845800000000, 0.0025095500000000 ] - [ -0.0015656900000000, 0.0003762600000000, 0.0027600600000000 ] - [ 0.0000129300000000, 0.0000453800000000, 0.0001586500000000 ]- atom: 41 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0005077900000000, -0.0004488400000000, -0.0008807200000000 ] - [ 0.0005685200000000, 0.0000729500000000, 0.0000419400000000 ] - [ -0.0003445700000000, -0.0034700200000000, -0.0038439600000000 ] - [ 0.0011417100000000, -0.0000539200000000, 0.0006550900000000 ] - [ -0.0019462700000000, 0.0016255800000000, 0.0027309700000000 ] - [ 0.0008891000000000, -0.0001268800000000, 0.0001802800000000 ] - [ 0.0006142900000000, 0.0010848500000000, -0.0000838100000000 ] - [ 0.0008056900000000, -0.0000452500000000, -0.0009103600000000 ] - [ -0.0017392200000000, 0.0004895700000000, 0.0000366700000000 ] - [ 0.0011890200000000, 0.0003353700000000, 0.0003961200000000 ] - [ -0.0013670200000000, -0.0019645800000000, -0.0027698800000000 ] - [ 0.0007356500000000, 0.0004265000000000, 0.0002197100000000 ] - [ -0.0001921400000000, 0.0030846900000000, 0.0050892600000000 ] - [ 0.0007643900000000, -0.0005140400000000, -0.0003454800000000 ] - [ -0.0013251900000000, -0.0004306600000000, -0.0001012300000000 ] - [ 0.0012029600000000, -0.0002691200000000, 0.0004606500000000 ] - [ -0.0004015900000000, -0.0002062500000000, 0.0014926700000000 ] - [ 0.0005869400000000, 0.0004037500000000, 0.0002620100000000 ] - [ 0.0013864600000000, -0.0004317300000000, 0.0009439600000000 ] - [ 0.0019901800000000, -0.0002245700000000, -0.0027211200000000 ] - [ 0.0019990500000000, -0.0003976800000000, -0.0022375900000000 ] - [ 0.0018253200000000, -0.0005798000000000, 0.0015444900000000 ] - [ -0.0006149900000000, -0.0000502600000000, 0.0001946500000000 ] - [ 0.0004291100000000, -0.0002397400000000, 0.0006267300000000 ] - [ 0.0007283300000000, -0.0091915600000000, 0.0009120800000000 ] - [ 0.0010418600000000, -0.0004596400000000, 0.0009615900000000 ] - [ 0.0003882600000000, -0.0020294900000000, -0.0008676800000000 ] - [ 0.0043919300000000, 0.0017608500000000, 0.0004280400000000 ] - [ -0.0027796700000000, -0.0008825300000000, 0.0006008800000000 ] - [ 0.0014409400000000, -0.0006371000000000, 0.0006432400000000 ] - [ 0.0002186100000000, 0.0007881300000000, -0.0005996100000000 ] - [ 0.0003266400000000, 0.0000867400000000, -0.0003725500000000 ] - [ -0.0004220600000000, 0.0005471600000000, -0.0010010100000000 ] - [ 0.0005705300000000, 0.0005859700000000, -0.0006121800000000 ] - [ 0.0000630500000000, 0.0003015400000000, 0.0004998200000000 ] - [ 0.0000652400000000, 0.0005886100000000, 0.0007975100000000 ] - [ 0.0060757000000000, -0.0011297400000000, 0.0005091700000000 ] - [ 0.0029730700000000, -0.0018295300000000, 0.0009471700000000 ] - [ -0.0005811800000000, -0.0011294600000000, -0.0009042900000000 ] - [ 0.0009117700000000, -0.0003158500000000, -0.0005177100000000 ] - [ -0.0842430200000000, -0.0770106600000000, 0.0338921800000000 ] - [ 0.0017125700000000, -0.0006319600000000, -0.0000989500000000 ] - [ -0.0010340400000000, 0.0009482800000000, -0.0001484700000000 ] - [ 0.0001088000000000, -0.0004825000000000, 0.0000713100000000 ] - [ -0.0009647400000000, 0.0008173100000000, 0.0000810800000000 ] - [ -0.0001814900000000, 0.0007808500000000, -0.0000488600000000 ] - [ -0.0004688100000000, 0.0006471000000000, -0.0001040200000000 ] - [ 0.0012953300000000, 0.0005401300000000, -0.0000716800000000 ] - [ 0.0003014700000000, -0.0002288400000000, 0.0003424200000000 ] - [ 0.0002321200000000, -0.0000738300000000, 0.0005002100000000 ] - [ -0.0013602800000000, -0.0003532700000000, -0.0009456500000000 ] - [ 0.0010880100000000, -0.0000627500000000, -0.0006712700000000 ] - [ 0.0203724900000000, 0.0208045200000000, -0.0030348300000000 ] - [ 0.0024349300000000, -0.0006790700000000, -0.0002395000000000 ] - [ 0.0020732400000000, 0.0009906500000000, 0.0001486500000000 ] - [ 0.0011506800000000, -0.0002489100000000, 0.0006958700000000 ] - [ -0.0011144700000000, -0.0008688900000000, 0.0005062100000000 ] - [ 0.0009829000000000, -0.0004355300000000, -0.0002899900000000 ] - [ -0.0007121700000000, -0.0007991900000000, -0.0001604000000000 ] - [ 0.0002410500000000, -0.0006655900000000, -0.0000067900000000 ] - [ 0.0029430700000000, 0.0129127400000000, -0.0011623300000000 ] - [ 0.0007276200000000, 0.0006489300000000, -0.0000902500000000 ] - [ -0.0068890300000000, -0.0030047900000000, 0.0000553100000000 ] - [ 0.0018062500000000, 0.0002385300000000, -0.0004541700000000 ] - [ -0.0083772200000000, 0.0025745000000000, -0.0008076500000000 ] - [ 0.0013993300000000, 0.0006228600000000, 0.0007966500000000 ] - [ -0.0005908200000000, 0.0018233000000000, -0.0019370700000000 ] - [ 0.0001819100000000, 0.0006508300000000, -0.0004145800000000 ] - [ -0.0010696100000000, -0.0006352700000000, -0.0006063900000000 ] - [ 0.0001982800000000, -0.0005777400000000, -0.0009057900000000 ] - [ -0.0005520700000000, 0.0006938100000000, 0.0006540800000000 ] - [ 0.0004897000000000, 0.0005173400000000, 0.0008562500000000 ] - [ -0.0003701900000000, 0.0018488800000000, -0.0016784300000000 ] - [ -0.0010490800000000, -0.0004071700000000, -0.0004283800000000 ] - [ -0.0047286100000000, 0.0037655300000000, -0.0010839300000000 ] - [ -0.0119861300000000, 0.0021868500000000, 0.0036076900000000 ] - [ -0.0014006800000000, -0.0001489200000000, 0.0019826000000000 ] - [ -0.0000689200000000, 0.0007749100000000, -0.0006691100000000 ] - [ 0.0008272400000000, 0.0000177900000000, -0.0003149300000000 ] - [ 0.0000143600000000, 0.0000000200000000, -0.0007920300000000 ] - [ -0.0020329800000000, -0.0032752400000000, 0.0019288900000000 ] - [ -0.0018589600000000, -0.0000969600000000, -0.0003405800000000 ] - [ 0.0562966700000000, 0.0568371500000000, -0.0239446500000000 ] - [ -0.0015737100000000, 0.0002652200000000, -0.0000185800000000 ] - [ 0.0026851900000000, 0.0004949100000000, 0.0002982800000000 ] - [ -0.0005063400000000, -0.0000188700000000, 0.0000341200000000 ] - [ -0.0005177800000000, -0.0000876200000000, -0.0000680400000000 ] - [ -0.0012916300000000, -0.0000207800000000, 0.0001772400000000 ] - [ -0.0024424400000000, -0.0016058700000000, -0.0019500400000000 ] - [ -0.0015115300000000, 0.0015796500000000, 0.0006462700000000 ] - [ 0.0015253600000000, -0.0020050300000000, -0.0018456200000000 ] - [ -0.0015834700000000, 0.0002863600000000, 0.0002886200000000 ] - [ 0.0005460900000000, 0.0008013500000000, 0.0007944500000000 ] - [ -0.0013766600000000, -0.0002906900000000, -0.0000623500000000 ] - [ 0.0000046200000000, 0.0003846900000000, 0.0004450800000000 ] - [ 0.0000439000000000, -0.0006175200000000, -0.0005328600000000 ] - [ 0.0024001900000000, -0.0001250300000000, 0.0000091700000000 ] - [ -0.0006492800000000, 0.0003493800000000, 0.0002490900000000 ] - [ 0.0020288100000000, 0.0000550800000000, 0.0038748500000000 ] - [ -0.0024591000000000, 0.0007799500000000, -0.0007417500000000 ] - [ 0.0009509100000000, 0.0011907900000000, -0.0023280100000000 ] - [ -0.0019738400000000, -0.0004872500000000, 0.0002026100000000 ] - [ 0.0021387500000000, -0.0006069800000000, 0.0003715300000000 ] - [ -0.0004691300000000, -0.0004697300000000, 0.0001923400000000 ] - [ -0.0003182900000000, 0.0002649200000000, -0.0009006500000000 ] - [ -0.0004395800000000, -0.0006322600000000, 0.0003798400000000 ] - [ 0.0022920900000000, 0.0015173400000000, -0.0051283000000000 ] - [ -0.0022482500000000, 0.0001299800000000, 0.0010577100000000 ] - [ 0.0008799500000000, -0.0009872000000000, 0.0023528700000000 ] - [ -0.0012068800000000, -0.0001550400000000, -0.0000430000000000 ] - [ -0.0004213400000000, -0.0005711200000000, 0.0000007400000000 ] - [ -0.0001784100000000, -0.0002059800000000, -0.0006700100000000 ] - [ 0.0035575800000000, -0.0000745900000000, -0.0000904100000000 ] - [ -0.0021386800000000, 0.0000938000000000, -0.0009567600000000 ] - [ 0.0018174800000000, -0.0025245400000000, -0.0005343600000000 ] - [ -0.0012080300000000, 0.0000122300000000, 0.0008529600000000 ] - [ 0.0015326700000000, 0.0019930300000000, 0.0022328000000000 ] - [ -0.0023076400000000, -0.0006124300000000, -0.0007664900000000 ] - [ 0.0170990300000000, -0.0041099600000000, -0.0040417000000000 ] - [ -0.0026235500000000, -0.0000699300000000, -0.0008558700000000 ]- atom: 41 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0001003500000000, -0.0000416300000000, -0.0001243900000000 ] - [ -0.0001660800000000, -0.0005620400000000, -0.0010467900000000 ] - [ -0.0000749600000000, 0.0029669700000000, 0.0048254700000000 ] - [ -0.0015468200000000, -0.0004393100000000, 0.0003500800000000 ] - [ 0.0015315500000000, -0.0011244800000000, -0.0017158200000000 ] - [ -0.0012937700000000, 0.0006209400000000, 0.0008290900000000 ] - [ -0.0002039000000000, -0.0005942900000000, -0.0009248900000000 ] - [ -0.0004068900000000, 0.0005364600000000, -0.0000967600000000 ] - [ 0.0023806100000000, 0.0001246600000000, 0.0005563200000000 ] - [ -0.0005547500000000, 0.0002709700000000, 0.0001886400000000 ] - [ 0.0007405000000000, 0.0025835600000000, 0.0021850400000000 ] - [ -0.0013696000000000, 0.0001834400000000, -0.0008032600000000 ] - [ -0.0004330000000000, -0.0036980500000000, -0.0056999200000000 ] - [ -0.0014006300000000, -0.0000967000000000, -0.0002412100000000 ] - [ 0.0019593800000000, -0.0001770500000000, 0.0006814000000000 ] - [ -0.0005675000000000, -0.0003374400000000, 0.0001265900000000 ] - [ 0.0001656800000000, 0.0007209300000000, -0.0004779000000000 ] - [ -0.0008211400000000, 0.0001096400000000, 0.0007542600000000 ] - [ -0.0011545800000000, 0.0009512700000000, -0.0019724400000000 ] - [ -0.0017566500000000, 0.0007359300000000, 0.0016925100000000 ] - [ -0.0017732800000000, -0.0001142900000000, 0.0012314400000000 ] - [ -0.0015747800000000, 0.0000634800000000, -0.0025415000000000 ] - [ 0.0003719300000000, -0.0004699800000000, 0.0008237000000000 ] - [ -0.0006620200000000, -0.0002742800000000, 0.0003868000000000 ] - [ -0.0007753100000000, 0.0081530000000000, 0.0005106000000000 ] - [ -0.0010909300000000, -0.0005161300000000, 0.0004538800000000 ] - [ -0.0003337800000000, 0.0010729500000000, -0.0005462200000000 ] - [ -0.0043272800000000, -0.0027218800000000, -0.0018433800000000 ] - [ 0.0035437300000000, -0.0005222700000000, 0.0007394000000000 ] - [ -0.0006766400000000, -0.0007705900000000, 0.0006992500000000 ] - [ -0.0001674600000000, 0.0001805000000000, -0.0008127300000000 ] - [ -0.0002797400000000, 0.0008825900000000, -0.0010407200000000 ] - [ 0.0005855300000000, 0.0005535400000000, -0.0003552900000000 ] - [ -0.0004043800000000, 0.0005164300000000, -0.0007474000000000 ] - [ -0.0002236300000000, 0.0008028400000000, 0.0008659400000000 ] - [ -0.0002370000000000, 0.0005155000000000, 0.0005686400000000 ] - [ -0.0063136200000000, 0.0000280500000000, 0.0008600400000000 ] - [ -0.0031276100000000, 0.0007259100000000, 0.0004065300000000 ] - [ 0.0007406500000000, 0.0000226600000000, -0.0004604400000000 ] - [ -0.0007447100000000, -0.0007854500000000, -0.0008432000000000 ] - [ 0.0859732000000000, 0.0750054500000000, -0.0344660300000000 ] - [ -0.0005367100000000, -0.0007853200000000, -0.0000070400000000 ] - [ -0.0001359800000000, -0.0023774800000000, 0.0002507000000000 ] - [ -0.0012874500000000, -0.0009302900000000, 0.0000336600000000 ] - [ -0.0002110500000000, 0.0005960100000000, 0.0000271000000000 ] - [ -0.0009971900000000, 0.0006342300000000, 0.0001550300000000 ] - [ 0.0016453900000000, 0.0007718600000000, 0.0000087800000000 ] - [ -0.0001186200000000, 0.0008759300000000, -0.0000318900000000 ] - [ 0.0000230800000000, -0.0001227400000000, 0.0005709200000000 ] - [ 0.0000801300000000, -0.0002766400000000, 0.0004133500000000 ] - [ 0.0010369300000000, 0.0000031300000000, 0.0000404700000000 ] - [ -0.0014057200000000, -0.0002885800000000, -0.0002386200000000 ] - [ -0.0204203600000000, -0.0200728400000000, 0.0021192900000000 ] - [ -0.0027598700000000, 0.0010372000000000, -0.0006747800000000 ] - [ -0.0017516100000000, -0.0006422800000000, 0.0007628400000000 ] - [ -0.0008384500000000, 0.0005985300000000, 0.0002147600000000 ] - [ 0.0016190200000000, -0.0004045900000000, -0.0006960000000000 ] - [ -0.0004798900000000, -0.0008374500000000, 0.0000981300000000 ] - [ 0.0002117600000000, -0.0004741800000000, 0.0003569900000000 ] - [ -0.0007468800000000, -0.0006045500000000, 0.0002011500000000 ] - [ -0.0034681100000000, -0.0117421900000000, 0.0013613700000000 ] - [ -0.0012337400000000, 0.0006210200000000, 0.0002818100000000 ] - [ 0.0073903200000000, 0.0042302700000000, -0.0002607100000000 ] - [ -0.0013032500000000, 0.0010369600000000, 0.0002626600000000 ] - [ 0.0090810800000000, -0.0012479600000000, 0.0022115800000000 ] - [ -0.0006351800000000, 0.0007837100000000, 0.0005411900000000 ] - [ -0.0001729400000000, -0.0004225600000000, 0.0005975200000000 ] - [ -0.0009477000000000, 0.0007545100000000, -0.0009207000000000 ] - [ 0.0003141800000000, -0.0007756400000000, -0.0007288400000000 ] - [ -0.0009654200000000, -0.0008273600000000, -0.0004366600000000 ] - [ 0.0004998800000000, 0.0002744300000000, 0.0007729100000000 ] - [ -0.0005364200000000, 0.0004576600000000, 0.0005612900000000 ] - [ 0.0014648800000000, -0.0020586700000000, 0.0003925300000000 ] - [ 0.0021386300000000, 0.0002067900000000, -0.0008638300000000 ] - [ 0.0036588600000000, -0.0040053200000000, 0.0023914400000000 ] - [ 0.0108596300000000, -0.0023878900000000, -0.0022969300000000 ] - [ 0.0003047600000000, 0.0003541100000000, -0.0007014600000000 ] - [ -0.0010168300000000, -0.0005687100000000, 0.0019444900000000 ] - [ 0.0002735900000000, 0.0001901600000000, -0.0009823300000000 ] - [ 0.0010732800000000, 0.0002027400000000, -0.0004989300000000 ] - [ 0.0003816600000000, 0.0032617700000000, -0.0020612200000000 ] - [ 0.0002168400000000, 0.0000879000000000, 0.0001953500000000 ] - [ -0.0552658200000000, -0.0562867800000000, 0.0239843000000000 ] - [ 0.0032235900000000, -0.0002738900000000, 0.0001647500000000 ] - [ -0.0010386100000000, -0.0004887300000000, -0.0001651600000000 ] - [ 0.0021523400000000, 0.0000273200000000, 0.0001068400000000 ] - [ -0.0011343300000000, 0.0000997300000000, -0.0000840200000000 ] - [ -0.0003492800000000, 0.0000284800000000, -0.0003204100000000 ] - [ 0.0033506100000000, 0.0019689700000000, 0.0018749900000000 ] - [ 0.0024191900000000, -0.0012280300000000, -0.0007261900000000 ] - [ -0.0024102700000000, 0.0023426700000000, 0.0019372600000000 ] - [ 0.0006804700000000, 0.0000556200000000, -0.0001977500000000 ] - [ -0.0014461000000000, -0.0011516000000000, -0.0007084000000000 ] - [ 0.0004722600000000, -0.0000517700000000, 0.0001539200000000 ] - [ 0.0008928000000000, -0.0007337500000000, -0.0005417300000000 ] - [ 0.0008603900000000, 0.0002691500000000, 0.0004352200000000 ] - [ -0.0013556200000000, 0.0010033100000000, 0.0004667300000000 ] - [ 0.0016918700000000, 0.0005027500000000, 0.0002294500000000 ] - [ -0.0032366000000000, 0.0007181100000000, -0.0041568800000000 ] - [ 0.0014115000000000, 0.0000752400000000, 0.0002642000000000 ] - [ -0.0020259100000000, -0.0020536700000000, 0.0018489500000000 ] - [ 0.0009325400000000, -0.0003657400000000, -0.0006774600000000 ] - [ -0.0010968400000000, -0.0002441400000000, 0.0001029000000000 ] - [ 0.0015117400000000, -0.0003826600000000, 0.0002834900000000 ] - [ 0.0002932500000000, 0.0002178100000000, 0.0001770000000000 ] - [ 0.0004248200000000, 0.0011118300000000, -0.0011016400000000 ] - [ -0.0020708800000000, -0.0010766900000000, 0.0060210200000000 ] - [ 0.0022749000000000, 0.0003554300000000, -0.0003363600000000 ] - [ -0.0008332600000000, 0.0004945700000000, -0.0016395700000000 ] - [ 0.0012258300000000, -0.0003290300000000, 0.0007728100000000 ] - [ 0.0004005800000000, 0.0000890400000000, -0.0007295900000000 ] - [ 0.0001623200000000, -0.0002775000000000, -0.0000589800000000 ] - [ -0.0041348100000000, -0.0000126300000000, -0.0014044400000000 ] - [ 0.0015587700000000, -0.0001788400000000, -0.0005321100000000 ] - [ -0.0012447600000000, 0.0024350100000000, 0.0020089900000000 ] - [ 0.0017917200000000, -0.0000932100000000, 0.0006311000000000 ] - [ -0.0009898600000000, -0.0019084300000000, -0.0007294400000000 ] - [ 0.0028864700000000, 0.0006909600000000, 0.0022492300000000 ] - [ -0.0177657800000000, 0.0042880300000000, 0.0026805300000000 ] - [ 0.0020462200000000, 0.0001555200000000, -0.0006262000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005234300000000, 0.0007305400000000, -0.0000765200000000 ] - [ 0.0009709400000000, 0.0005530100000000, 0.0000762900000000 ] - [ -0.0066429700000000, -0.0014913600000000, 0.0071817300000000 ] - [ 0.0004273900000000, -0.0005990200000000, 0.0006144600000000 ] - [ 0.0009224500000000, -0.0008866800000000, 0.0025250500000000 ] - [ -0.0002407500000000, -0.0000095600000000, 0.0005034700000000 ] - [ 0.0013506600000000, 0.0017544300000000, -0.0002348500000000 ] - [ -0.0005713400000000, 0.0011104400000000, -0.0003537900000000 ] - [ 0.0006136200000000, 0.0047399900000000, 0.0021921000000000 ] - [ 0.0003754800000000, 0.0004510200000000, 0.0003074400000000 ] - [ -0.0022141200000000, -0.0009273700000000, 0.0031284600000000 ] - [ 0.0000384900000000, 0.0000688700000000, -0.0000180800000000 ] - [ 0.0036785800000000, 0.0003283000000000, 0.0068400700000000 ] - [ -0.0004453100000000, -0.0007220200000000, -0.0002083200000000 ] - [ 0.0002426700000000, 0.0015195400000000, 0.0026680100000000 ] - [ 0.0005228400000000, -0.0000760800000000, 0.0003867600000000 ] - [ -0.0007018000000000, 0.0032087600000000, -0.0012485800000000 ] - [ 0.0003087300000000, 0.0006435300000000, 0.0001745500000000 ] - [ -0.0004562800000000, -0.0010456400000000, -0.0008277700000000 ] - [ 0.0020039600000000, -0.0016786800000000, -0.0023445100000000 ] - [ 0.0010561700000000, -0.0009895900000000, -0.0011470800000000 ] - [ -0.0005109600000000, -0.0007670700000000, -0.0008076300000000 ] - [ 0.0005986100000000, 0.0014527500000000, -0.0002286100000000 ] - [ -0.0001358500000000, 0.0001006100000000, 0.0005269200000000 ] - [ -0.0119092400000000, 0.0175542100000000, -0.0030679000000000 ] - [ 0.0004692500000000, -0.0006765000000000, 0.0007242600000000 ] - [ -0.0029957500000000, -0.0007141400000000, -0.0013112300000000 ] - [ 0.0038741400000000, 0.0011619300000000, 0.0001602200000000 ] - [ -0.0000188100000000, -0.0016728600000000, -0.0018766300000000 ] - [ 0.0005515400000000, -0.0008643300000000, 0.0007237300000000 ] - [ 0.0007691500000000, 0.0004440100000000, 0.0000280200000000 ] - [ -0.0001860500000000, 0.0004257700000000, -0.0005958800000000 ] - [ -0.0000173900000000, 0.0018686300000000, -0.0008886100000000 ] - [ 0.0001300400000000, 0.0009200100000000, -0.0007224400000000 ] - [ -0.0002831800000000, -0.0005377800000000, 0.0005114400000000 ] - [ 0.0000380400000000, -0.0002773200000000, 0.0003633300000000 ] - [ 0.0003015200000000, -0.0031572600000000, 0.0009311700000000 ] - [ 0.0014234100000000, -0.0038350500000000, 0.0013968200000000 ] - [ 0.0008824500000000, 0.0050431400000000, -0.0001165000000000 ] - [ 0.0005253900000000, 0.0002806700000000, -0.0005094000000000 ] - [ -0.0778651300000000, -0.3120480800000000, 0.0627094300000000 ] - [ 0.0006618900000000, -0.0011984700000000, -0.0001283500000000 ] - [ -0.0022546000000000, 0.0063875600000000, -0.0002071300000000 ] - [ -0.0008079500000000, 0.0003877400000000, 0.0000165000000000 ] - [ -0.0004749100000000, 0.0022948700000000, 0.0001564500000000 ] - [ -0.0005117900000000, 0.0011693100000000, 0.0000829600000000 ] - [ 0.0006478700000000, -0.0015501100000000, -0.0003243500000000 ] - [ 0.0007527500000000, 0.0003774600000000, -0.0000270900000000 ] - [ -0.0003751600000000, 0.0002269100000000, 0.0002876100000000 ] - [ 0.0006234200000000, 0.0001810100000000, 0.0003635500000000 ] - [ -0.0008047500000000, -0.0009136400000000, -0.0000467100000000 ] - [ 0.0002914200000000, -0.0004068400000000, -0.0005122400000000 ] - [ 0.0237846200000000, 0.0071039300000000, -0.0030332600000000 ] - [ -0.0005770100000000, -0.0004017500000000, -0.0003875800000000 ] - [ 0.0039091300000000, 0.0023117500000000, -0.0001084500000000 ] - [ -0.0030150300000000, 0.0019185100000000, 0.0003085900000000 ] - [ -0.0001695900000000, -0.0006421700000000, 0.0007185700000000 ] - [ 0.0003324500000000, -0.0006654900000000, -0.0000336600000000 ] - [ -0.0008741200000000, -0.0001677000000000, 0.0003715800000000 ] - [ -0.0000665000000000, -0.0005784700000000, 0.0001493100000000 ] - [ 0.0130933600000000, 0.0214895700000000, -0.0047674800000000 ] - [ -0.0006057100000000, 0.0004463600000000, 0.0000053700000000 ] - [ -0.0008151800000000, 0.0307016500000000, 0.0025305800000000 ] - [ 0.0007630200000000, 0.0006368400000000, -0.0002201400000000 ] - [ 0.0047867600000000, 0.0064756000000000, -0.0153162200000000 ] - [ 0.0004908700000000, 0.0005639100000000, 0.0005500400000000 ] - [ 0.0001800100000000, 0.0029533600000000, -0.0028032000000000 ] - [ -0.0006649100000000, 0.0008807300000000, -0.0009034300000000 ] - [ -0.0016437000000000, 0.0007302700000000, -0.0016002600000000 ] - [ -0.0001316100000000, -0.0003832300000000, -0.0007738700000000 ] - [ 0.0005500500000000, 0.0010861300000000, 0.0003646400000000 ] - [ -0.0000219900000000, 0.0005603900000000, 0.0007895800000000 ] - [ 0.0040441900000000, -0.0100848400000000, 0.0007477200000000 ] - [ -0.0013517000000000, -0.0006678300000000, -0.0002911000000000 ] - [ 0.0016204700000000, 0.0029278600000000, 0.0007972600000000 ] - [ -0.0121683700000000, 0.0048043400000000, 0.0027936700000000 ] - [ -0.0011627600000000, 0.0012581000000000, 0.0008457300000000 ] - [ 0.0003163900000000, 0.0010313000000000, 0.0005992300000000 ] - [ -0.0001797200000000, -0.0016682600000000, 0.0002693500000000 ] - [ 0.0008890500000000, -0.0003618800000000, -0.0007420300000000 ] - [ -0.0036355300000000, -0.0106984700000000, 0.0039512100000000 ] - [ 0.0007808000000000, -0.0005621500000000, 0.0003232800000000 ] - [ 0.0554814400000000, 0.1973118900000000, -0.0649044500000000 ] - [ 0.0008251500000000, 0.0004738000000000, 0.0002408600000000 ] - [ 0.0008599500000000, 0.0025801200000000, 0.0008743300000000 ] - [ 0.0004602200000000, 0.0003450000000000, -0.0000358900000000 ] - [ -0.0001807700000000, -0.0019651100000000, 0.0010034300000000 ] - [ -0.0012562400000000, -0.0004805400000000, -0.0000244000000000 ] - [ -0.0031862700000000, 0.0014984700000000, -0.0006444700000000 ] - [ 0.0035160000000000, 0.0015825500000000, 0.0004312500000000 ] - [ -0.0039589700000000, -0.0041829800000000, -0.0035684200000000 ] - [ -0.0000516600000000, -0.0002666600000000, -0.0000274200000000 ] - [ 0.0003588200000000, -0.0028653800000000, -0.0016535800000000 ] - [ -0.0010441900000000, -0.0003583100000000, -0.0001636400000000 ] - [ 0.0015074500000000, 0.0003963800000000, -0.0004906100000000 ] - [ -0.0003356700000000, 0.0001960400000000, -0.0004993600000000 ] - [ 0.0002985400000000, -0.0070170500000000, 0.0032014500000000 ] - [ 0.0002570700000000, 0.0000359900000000, 0.0002736100000000 ] - [ -0.0015372800000000, 0.0084786100000000, 0.0015040000000000 ] - [ -0.0007336700000000, 0.0009966800000000, -0.0004752700000000 ] - [ 0.0031760100000000, 0.0036430100000000, 0.0020869000000000 ] - [ -0.0010361600000000, -0.0001200300000000, 0.0001043700000000 ] - [ 0.0007539200000000, -0.0025304500000000, 0.0007048800000000 ] - [ 0.0004005200000000, -0.0006499600000000, 0.0002709600000000 ] - [ 0.0006631300000000, -0.0017399000000000, -0.0001205700000000 ] - [ -0.0005166000000000, -0.0016024600000000, -0.0002086500000000 ] - [ 0.0012705200000000, 0.0094870500000000, 0.0006092800000000 ] - [ -0.0003452900000000, 0.0007448100000000, 0.0002953200000000 ] - [ -0.0026693000000000, 0.0049480300000000, 0.0020758200000000 ] - [ -0.0000128400000000, 0.0001762700000000, 0.0004862100000000 ] - [ -0.0004299700000000, -0.0013677700000000, -0.0002308500000000 ] - [ 0.0003454600000000, -0.0009773900000000, -0.0001069600000000 ] - [ -0.0003880000000000, 0.0008443100000000, -0.0032635200000000 ] - [ -0.0006147400000000, 0.0000393100000000, -0.0009846900000000 ] - [ -0.0005893600000000, -0.0042845900000000, -0.0024507300000000 ] - [ 0.0007047600000000, -0.0001448700000000, 0.0004605900000000 ] - [ 0.0101902700000000, -0.0064552200000000, -0.0065447900000000 ] - [ -0.0012324200000000, -0.0008661600000000, -0.0002402500000000 ] - [ -0.0028980500000000, 0.0243625100000000, 0.0098290400000000 ] - [ -0.0006148800000000, 0.0003960400000000, -0.0006994600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009100100000000, -0.0012248000000000, -0.0009164800000000 ] - [ -0.0005749500000000, -0.0010461100000000, -0.0010723600000000 ] - [ 0.0062667600000000, 0.0010420500000000, -0.0061920400000000 ] - [ -0.0008183100000000, 0.0001080900000000, 0.0003836200000000 ] - [ -0.0013109200000000, 0.0013556200000000, -0.0015282500000000 ] - [ -0.0001495300000000, 0.0004984800000000, 0.0004950000000000 ] - [ -0.0009563300000000, -0.0012557000000000, -0.0007696200000000 ] - [ 0.0009581300000000, -0.0006143400000000, -0.0006466900000000 ] - [ 0.0000306600000000, -0.0041065900000000, -0.0016006500000000 ] - [ 0.0002654000000000, 0.0001494100000000, 0.0002783500000000 ] - [ 0.0015740800000000, 0.0014989300000000, -0.0037087600000000 ] - [ -0.0006808500000000, 0.0005287500000000, -0.0005683500000000 ] - [ -0.0043348000000000, -0.0008855300000000, -0.0074366200000000 ] - [ -0.0001971600000000, 0.0001222600000000, -0.0003793100000000 ] - [ 0.0004023100000000, -0.0021211600000000, -0.0020555700000000 ] - [ 0.0001190400000000, -0.0005245000000000, 0.0002013200000000 ] - [ 0.0004670100000000, -0.0027118100000000, 0.0022783900000000 ] - [ -0.0005508500000000, -0.0001418900000000, 0.0008450000000000 ] - [ 0.0006968200000000, 0.0015407700000000, -0.0001853000000000 ] - [ -0.0017637600000000, 0.0021749100000000, 0.0013254300000000 ] - [ -0.0008102800000000, 0.0004878400000000, 0.0001226000000000 ] - [ 0.0007303600000000, 0.0002673500000000, -0.0002235500000000 ] - [ -0.0008344100000000, -0.0019546100000000, 0.0012390300000000 ] - [ -0.0001037200000000, -0.0006026500000000, 0.0004857900000000 ] - [ 0.0120766900000000, -0.0187577000000000, 0.0045490400000000 ] - [ -0.0005191300000000, -0.0002974900000000, 0.0006905100000000 ] - [ 0.0030213700000000, -0.0002760000000000, -0.0001118600000000 ] - [ -0.0038226700000000, -0.0021384400000000, -0.0015767400000000 ] - [ 0.0007777000000000, 0.0002889700000000, 0.0031920700000000 ] - [ 0.0002065700000000, -0.0005354100000000, 0.0006075800000000 ] - [ -0.0007195200000000, 0.0005358900000000, -0.0014417700000000 ] - [ 0.0002305000000000, 0.0005551300000000, -0.0008228300000000 ] - [ 0.0001779900000000, -0.0007569800000000, -0.0004660600000000 ] - [ 0.0000298600000000, 0.0001875800000000, -0.0006345900000000 ] - [ 0.0001224300000000, 0.0016424900000000, 0.0008467900000000 ] - [ -0.0002001900000000, 0.0013820900000000, 0.0009915000000000 ] - [ -0.0004328100000000, 0.0020471700000000, 0.0004273500000000 ] - [ -0.0015889200000000, 0.0027210400000000, -0.0000323800000000 ] - [ -0.0007104100000000, -0.0061550300000000, -0.0012457700000000 ] - [ -0.0003687600000000, -0.0013885400000000, -0.0008498500000000 ] - [ 0.0742517400000000, 0.3018661000000000, -0.0559925300000000 ] - [ 0.0005111400000000, -0.0002107400000000, 0.0000283900000000 ] - [ 0.0010683100000000, -0.0077912800000000, 0.0003098000000000 ] - [ -0.0003641600000000, -0.0017975800000000, 0.0000851900000000 ] - [ -0.0006985600000000, -0.0008817400000000, -0.0000542000000000 ] - [ -0.0006621600000000, 0.0002416200000000, 0.0000185300000000 ] - [ 0.0005262300000000, 0.0029543300000000, 0.0002228900000000 ] - [ 0.0004204300000000, 0.0010324200000000, -0.0000724200000000 ] - [ 0.0006913700000000, -0.0005761200000000, 0.0006061100000000 ] - [ -0.0003058600000000, -0.0005305900000000, 0.0005301500000000 ] - [ 0.0004839400000000, 0.0005640200000000, -0.0008486700000000 ] - [ -0.0006065400000000, 0.0000589800000000, -0.0003838900000000 ] - [ -0.0239069400000000, -0.0067580400000000, 0.0021126500000000 ] - [ 0.0002588100000000, 0.0007436500000000, -0.0005067000000000 ] - [ -0.0036246500000000, -0.0019673300000000, 0.0010049900000000 ] - [ 0.0033582000000000, -0.0015739300000000, 0.0005858600000000 ] - [ 0.0006744300000000, -0.0006243300000000, -0.0009158900000000 ] - [ 0.0001713700000000, -0.0006060700000000, -0.0001629300000000 ] - [ 0.0003698600000000, -0.0011077400000000, -0.0001746000000000 ] - [ -0.0004375000000000, -0.0006949300000000, 0.0000470200000000 ] - [ -0.0138641600000000, -0.0205142600000000, 0.0050084800000000 ] - [ 0.0001027900000000, 0.0008299200000000, 0.0001890600000000 ] - [ 0.0013216400000000, -0.0288609000000000, -0.0026991800000000 ] - [ -0.0002592200000000, 0.0006343900000000, 0.0000229900000000 ] - [ -0.0039879600000000, -0.0050891900000000, 0.0165050400000000 ] - [ 0.0002668000000000, 0.0008365800000000, 0.0007792400000000 ] - [ -0.0009401900000000, -0.0015502800000000, 0.0014949800000000 ] - [ -0.0000910000000000, 0.0005222100000000, -0.0004207600000000 ] - [ 0.0008832300000000, -0.0021324700000000, 0.0002627600000000 ] - [ -0.0006259500000000, -0.0010183700000000, -0.0005583500000000 ] - [ -0.0005967800000000, -0.0001121500000000, 0.0010516100000000 ] - [ -0.0000253300000000, 0.0004169400000000, 0.0006265000000000 ] - [ -0.0029639100000000, 0.0098795000000000, -0.0020395000000000 ] - [ 0.0024474900000000, 0.0004582100000000, -0.0010013000000000 ] - [ -0.0027062800000000, -0.0031033100000000, 0.0004871300000000 ] - [ 0.0110823300000000, -0.0050021800000000, -0.0015081700000000 ] - [ 0.0000740500000000, -0.0010483400000000, 0.0004497800000000 ] - [ -0.0013986500000000, -0.0008230100000000, 0.0006975400000000 ] - [ 0.0012641600000000, 0.0018782200000000, -0.0015551800000000 ] - [ 0.0001969100000000, 0.0005725900000000, -0.0005467100000000 ] - [ 0.0020048200000000, 0.0106945100000000, -0.0041066000000000 ] - [ -0.0024300900000000, 0.0005473900000000, -0.0004648900000000 ] - [ -0.0494523400000000, -0.1865963600000000, 0.0599641700000000 ] - [ 0.0008134600000000, -0.0004822300000000, -0.0001027400000000 ] - [ 0.0007776600000000, -0.0025644600000000, -0.0007239500000000 ] - [ 0.0011792900000000, -0.0003356000000000, 0.0001715500000000 ] - [ -0.0014583600000000, 0.0019745500000000, -0.0011365100000000 ] - [ -0.0003837600000000, 0.0004911700000000, -0.0001118500000000 ] - [ 0.0040858900000000, -0.0011683100000000, 0.0005578900000000 ] - [ -0.0026066300000000, -0.0012438100000000, -0.0005148800000000 ] - [ 0.0030268600000000, 0.0045302700000000, 0.0036398900000000 ] - [ -0.0008461100000000, 0.0006151500000000, 0.0001194000000000 ] - [ -0.0012613200000000, 0.0025058900000000, 0.0017449300000000 ] - [ 0.0001411300000000, 0.0000113500000000, 0.0002565000000000 ] - [ -0.0006057100000000, -0.0007369100000000, 0.0003959700000000 ] - [ 0.0012383000000000, -0.0005355100000000, 0.0004052100000000 ] - [ 0.0007370800000000, 0.0078537000000000, -0.0026888300000000 ] - [ 0.0007860000000000, 0.0008193400000000, 0.0002043000000000 ] - [ 0.0004476700000000, -0.0076546300000000, -0.0019523400000000 ] - [ -0.0003045100000000, -0.0001434500000000, -0.0000029900000000 ] - [ -0.0042217000000000, -0.0044846000000000, -0.0025689300000000 ] - [ -0.0000050600000000, -0.0007330700000000, -0.0005799100000000 ] - [ 0.0002872200000000, 0.0016648800000000, -0.0002390500000000 ] - [ 0.0006423800000000, -0.0002056100000000, 0.0002042900000000 ] - [ -0.0006737900000000, 0.0022218200000000, -0.0005975600000000 ] - [ 0.0004924200000000, 0.0020866900000000, -0.0005129500000000 ] - [ -0.0012130700000000, -0.0090055700000000, 0.0001383600000000 ] - [ 0.0003579100000000, -0.0002632400000000, 0.0004322600000000 ] - [ 0.0026894700000000, -0.0054193200000000, -0.0013528500000000 ] - [ 0.0000303100000000, -0.0006590800000000, 0.0002412300000000 ] - [ 0.0004141900000000, 0.0008816500000000, -0.0005017700000000 ] - [ -0.0003667700000000, 0.0004911400000000, -0.0006253300000000 ] - [ -0.0001953700000000, -0.0009067000000000, 0.0017718000000000 ] - [ 0.0000359600000000, -0.0001204800000000, -0.0005026400000000 ] - [ 0.0011640700000000, 0.0041773600000000, 0.0039321900000000 ] - [ -0.0001223600000000, 0.0000599000000000, 0.0010270600000000 ] - [ -0.0095460300000000, 0.0065374300000000, 0.0079671000000000 ] - [ 0.0018093800000000, 0.0009537600000000, 0.0017285500000000 ] - [ 0.0025199200000000, -0.0262989100000000, -0.0130101100000000 ] - [ 0.0000368100000000, -0.0003144600000000, -0.0007856300000000 ]- atom: 41 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ -0.0005311200000000, 0.0003209700000000, -0.0003052700000000 ] - [ 0.0005548900000000, -0.0000495000000000, -0.0005270900000000 ] - [ -0.0056167900000000, 0.0040776600000000, 0.0043248900000000 ] - [ 0.0000269800000000, -0.0003062200000000, 0.0004006800000000 ] - [ 0.0012303500000000, 0.0028410300000000, 0.0031881500000000 ] - [ -0.0005822300000000, 0.0004096500000000, 0.0006215800000000 ] - [ 0.0014711400000000, 0.0012010500000000, -0.0009033500000000 ] - [ -0.0007847700000000, 0.0006874300000000, -0.0003983900000000 ] - [ 0.0006579200000000, 0.0027485200000000, 0.0007832200000000 ] - [ 0.0001658400000000, 0.0003441300000000, 0.0001803800000000 ] - [ -0.0023124200000000, 0.0041460200000000, 0.0033228400000000 ] - [ -0.0001804400000000, 0.0004375100000000, -0.0003161500000000 ] - [ 0.0036726200000000, 0.0051334500000000, 0.0052765200000000 ] - [ -0.0006892800000000, -0.0003570000000000, -0.0002559400000000 ] - [ 0.0006204500000000, 0.0007717300000000, 0.0006712100000000 ] - [ 0.0002915700000000, -0.0001986100000000, 0.0003608700000000 ] - [ 0.0001908100000000, 0.0000970500000000, 0.0003449800000000 ] - [ -0.0002794900000000, 0.0002676500000000, 0.0004765600000000 ] - [ 0.0012982700000000, 0.0000136600000000, -0.0017421300000000 ] - [ -0.0009603400000000, -0.0002287600000000, -0.0017062900000000 ] - [ -0.0022806500000000, -0.0003395200000000, 0.0019768100000000 ] - [ 0.0023161100000000, -0.0006454800000000, 0.0021844400000000 ] - [ -0.0008334200000000, -0.0008476300000000, 0.0010221500000000 ] - [ 0.0000611500000000, -0.0001370400000000, 0.0005774500000000 ] - [ 0.0015661000000000, -0.0037827000000000, -0.0026289000000000 ] - [ -0.0002070000000000, -0.0005134800000000, 0.0004362900000000 ] - [ -0.0005911300000000, -0.0002904200000000, -0.0017640000000000 ] - [ -0.0000897500000000, -0.0005030700000000, -0.0010188400000000 ] - [ 0.0011486100000000, -0.0031224500000000, 0.0077494000000000 ] - [ 0.0003074400000000, -0.0007950000000000, 0.0008936800000000 ] - [ 0.0007803800000000, 0.0002453400000000, 0.0008392300000000 ] - [ 0.0000782200000000, 0.0000939400000000, 0.0000579500000000 ] - [ 0.0001521800000000, 0.0006313000000000, 0.0003532800000000 ] - [ 0.0001172600000000, 0.0005651300000000, -0.0004461200000000 ] - [ 0.0007624500000000, 0.0006296500000000, 0.0023202000000000 ] - [ -0.0006957300000000, 0.0008130800000000, 0.0020457400000000 ] - [ -0.0023417300000000, -0.0002207600000000, -0.0014735600000000 ] - [ 0.0008533900000000, -0.0001637000000000, -0.0009457900000000 ] - [ 0.0001686700000000, -0.0008374900000000, -0.0015580200000000 ] - [ 0.0000437500000000, -0.0005502900000000, -0.0009455800000000 ] - [ 0.0364121300000000, 0.0602156300000000, -0.1091117800000000 ] - [ 0.0005221200000000, -0.0007843500000000, -0.0003175500000000 ] - [ -0.0007771400000000, -0.0004853300000000, -0.0005126300000000 ] - [ -0.0005885200000000, -0.0006762200000000, -0.0001521600000000 ] - [ -0.0005568000000000, 0.0008067400000000, 0.0008686900000000 ] - [ -0.0007017800000000, 0.0007352300000000, 0.0002797900000000 ] - [ 0.0005568300000000, 0.0009832200000000, 0.0030435000000000 ] - [ 0.0005561600000000, 0.0006871100000000, 0.0001805200000000 ] - [ 0.0004986200000000, -0.0000274300000000, 0.0009565300000000 ] - [ -0.0002737100000000, -0.0000815400000000, 0.0008037100000000 ] - [ 0.0003306900000000, -0.0002666000000000, 0.0019653400000000 ] - [ -0.0002217400000000, -0.0003100900000000, 0.0001247900000000 ] - [ 0.0019648800000000, 0.0003721700000000, -0.0085266600000000 ] - [ -0.0006057700000000, 0.0003779400000000, -0.0009025300000000 ] - [ -0.0003068200000000, 0.0002133400000000, 0.0000771500000000 ] - [ 0.0006752100000000, 0.0001352900000000, 0.0001712500000000 ] - [ -0.0006807600000000, -0.0013786800000000, 0.0029813100000000 ] - [ 0.0001923900000000, -0.0007530900000000, 0.0001283400000000 ] - [ -0.0003194200000000, -0.0003698100000000, 0.0020308800000000 ] - [ -0.0003316700000000, -0.0004847000000000, 0.0003897100000000 ] - [ -0.0012384100000000, -0.0013822500000000, -0.0041094700000000 ] - [ -0.0003547900000000, 0.0007014300000000, -0.0002507700000000 ] - [ 0.0008861700000000, 0.0088202200000000, -0.0069904800000000 ] - [ 0.0001613300000000, 0.0006583700000000, -0.0002361300000000 ] - [ -0.0050641800000000, -0.0187195100000000, 0.0145639600000000 ] - [ 0.0003128500000000, 0.0006776500000000, 0.0004559100000000 ] - [ -0.0007277700000000, -0.0001220700000000, -0.0008891800000000 ] - [ -0.0003025000000000, 0.0006240100000000, -0.0007291800000000 ] - [ 0.0006883600000000, -0.0015183100000000, -0.0001169800000000 ] - [ -0.0005854800000000, -0.0006662500000000, -0.0006078900000000 ] - [ -0.0000197600000000, 0.0003843400000000, 0.0030307400000000 ] - [ 0.0000651300000000, 0.0006005800000000, 0.0009502100000000 ] - [ 0.0000723500000000, 0.0001641100000000, -0.0004703600000000 ] - [ 0.0007933400000000, -0.0000287700000000, -0.0003524500000000 ] - [ -0.0001328700000000, -0.0007183200000000, 0.0033889700000000 ] - [ -0.0001403600000000, -0.0000889700000000, 0.0024003500000000 ] - [ -0.0009110400000000, 0.0008321700000000, -0.0022117100000000 ] - [ -0.0002503500000000, 0.0004347900000000, -0.0020031700000000 ] - [ 0.0012176600000000, 0.0002388600000000, -0.0020276100000000 ] - [ 0.0003101500000000, -0.0000131000000000, -0.0009530800000000 ] - [ -0.0002585800000000, -0.0000334100000000, 0.0006466200000000 ] - [ -0.0009621200000000, -0.0000776100000000, 0.0002418100000000 ] - [ -0.0253992100000000, -0.0677642300000000, 0.0720902100000000 ] - [ 0.0011063000000000, 0.0000304600000000, 0.0004530800000000 ] - [ 0.0004013800000000, -0.0000054400000000, -0.0063054400000000 ] - [ 0.0009222500000000, 0.0001165500000000, -0.0003212500000000 ] - [ -0.0013442000000000, -0.0001399600000000, -0.0016892100000000 ] - [ -0.0004904900000000, -0.0001732700000000, -0.0003546300000000 ] - [ -0.0010039500000000, 0.0002162800000000, 0.0020964400000000 ] - [ 0.0024818800000000, -0.0000243100000000, 0.0018717700000000 ] - [ -0.0015219400000000, -0.0008928000000000, 0.0006159000000000 ] - [ -0.0001131100000000, 0.0000649600000000, 0.0001948000000000 ] - [ -0.0001930400000000, -0.0019093200000000, -0.0018067500000000 ] - [ -0.0008641700000000, -0.0001162200000000, -0.0002233200000000 ] - [ 0.0013173100000000, -0.0005095100000000, -0.0012939900000000 ] - [ -0.0002539000000000, -0.0006605300000000, -0.0009376500000000 ] - [ 0.0001400900000000, 0.0025434700000000, 0.0027112300000000 ] - [ 0.0005984200000000, 0.0003569600000000, 0.0004603400000000 ] - [ 0.0049119800000000, 0.0020235800000000, 0.0003980200000000 ] - [ -0.0010303700000000, 0.0005366600000000, 0.0000774000000000 ] - [ -0.0048554400000000, 0.0001924000000000, -0.0044669900000000 ] - [ -0.0001225000000000, -0.0003540500000000, -0.0004858400000000 ] - [ 0.0003206500000000, 0.0003082500000000, -0.0008933000000000 ] - [ 0.0005689000000000, -0.0004037500000000, 0.0000338700000000 ] - [ -0.0002706800000000, -0.0000214000000000, 0.0006180400000000 ] - [ 0.0003222100000000, 0.0002346100000000, 0.0003262700000000 ] - [ -0.0074743600000000, 0.0010047100000000, -0.0002443100000000 ] - [ 0.0008438800000000, 0.0002897000000000, 0.0005341500000000 ] - [ 0.0037248400000000, -0.0003213800000000, -0.0038412000000000 ] - [ -0.0003269100000000, -0.0002083700000000, 0.0001546300000000 ] - [ 0.0001776200000000, -0.0003368100000000, -0.0011638300000000 ] - [ -0.0000438900000000, -0.0001126700000000, -0.0008627000000000 ] - [ -0.0008306600000000, -0.0019267900000000, -0.0063947400000000 ] - [ -0.0001508500000000, -0.0001744700000000, -0.0012479300000000 ] - [ -0.0000628100000000, -0.0039704000000000, -0.0028157700000000 ] - [ 0.0008433600000000, 0.0000758500000000, 0.0000980400000000 ] - [ 0.0020656200000000, -0.0033300300000000, 0.0013128000000000 ] - [ 0.0002601200000000, -0.0000579600000000, 0.0011184300000000 ] - [ -0.0040157900000000, 0.0130474800000000, 0.0286594700000000 ] - [ -0.0001029100000000, 0.0001080900000000, -0.0001574000000000 ]- atom: 41 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ 0.0009236800000000, -0.0008076500000000, -0.0006994400000000 ] - [ -0.0001627300000000, -0.0004406600000000, -0.0004798100000000 ] - [ 0.0052866900000000, -0.0045983900000000, -0.0033536600000000 ] - [ -0.0004231800000000, -0.0001840900000000, 0.0006026300000000 ] - [ -0.0016098900000000, -0.0023270000000000, -0.0021810200000000 ] - [ 0.0001843200000000, 0.0000822900000000, 0.0003781000000000 ] - [ -0.0010815800000000, -0.0007173400000000, -0.0000920500000000 ] - [ 0.0011790100000000, -0.0002006900000000, -0.0005980800000000 ] - [ -0.0000121800000000, -0.0021472300000000, -0.0001868100000000 ] - [ 0.0004750500000000, 0.0002558100000000, 0.0004076400000000 ] - [ 0.0016509200000000, -0.0035046700000000, -0.0038919700000000 ] - [ -0.0004615300000000, 0.0001655800000000, -0.0002739400000000 ] - [ -0.0043654900000000, -0.0057833200000000, -0.0059229200000000 ] - [ 0.0000483100000000, -0.0002419600000000, -0.0003281900000000 ] - [ 0.0000230600000000, -0.0013682400000000, -0.0000991000000000 ] - [ 0.0003477700000000, -0.0004014500000000, 0.0002250000000000 ] - [ -0.0004289200000000, 0.0004057100000000, 0.0006601100000000 ] - [ 0.0000402300000000, 0.0002346300000000, 0.0005387000000000 ] - [ -0.0010592500000000, 0.0004929500000000, 0.0007323700000000 ] - [ 0.0011890900000000, 0.0007404900000000, 0.0007077800000000 ] - [ 0.0024967900000000, -0.0001592000000000, -0.0029826600000000 ] - [ -0.0020612000000000, 0.0001413300000000, -0.0031862900000000 ] - [ 0.0005979800000000, 0.0003462600000000, -0.0000000100000000 ] - [ -0.0002999600000000, -0.0003669100000000, 0.0004401200000000 ] - [ -0.0016222000000000, 0.0028431600000000, 0.0040304000000000 ] - [ 0.0001658300000000, -0.0004698300000000, 0.0009827000000000 ] - [ 0.0006437400000000, -0.0006893100000000, 0.0003448000000000 ] - [ 0.0000983300000000, -0.0004896500000000, -0.0004078600000000 ] - [ -0.0003805000000000, 0.0016883000000000, -0.0063671300000000 ] - [ 0.0004485200000000, -0.0006083000000000, 0.0004300300000000 ] - [ -0.0007430800000000, 0.0007321600000000, -0.0022590300000000 ] - [ -0.0000334300000000, 0.0008818600000000, -0.0014746500000000 ] - [ 0.0000114900000000, 0.0004768000000000, -0.0017141600000000 ] - [ 0.0000438100000000, 0.0005412600000000, -0.0009120100000000 ] - [ -0.0009283300000000, 0.0004803000000000, -0.0009559600000000 ] - [ 0.0005363500000000, 0.0002992900000000, -0.0006796500000000 ] - [ 0.0021899700000000, -0.0008811400000000, 0.0028190500000000 ] - [ -0.0010262500000000, -0.0009270000000000, 0.0022939900000000 ] - [ -0.0000101600000000, -0.0002773400000000, 0.0001984400000000 ] - [ 0.0001192100000000, -0.0005585000000000, -0.0004151900000000 ] - [ -0.0355064200000000, -0.0615415300000000, 0.1087765100000000 ] - [ 0.0006538800000000, -0.0006166300000000, 0.0002168600000000 ] - [ -0.0003914300000000, -0.0009252200000000, 0.0006098200000000 ] - [ -0.0005915700000000, -0.0007280000000000, 0.0002535500000000 ] - [ -0.0006205900000000, 0.0005930000000000, -0.0007659500000000 ] - [ -0.0004751200000000, 0.0006648200000000, -0.0001773900000000 ] - [ 0.0006204200000000, 0.0004245800000000, -0.0031364900000000 ] - [ 0.0006193200000000, 0.0007174500000000, -0.0002794100000000 ] - [ -0.0001809500000000, -0.0003229500000000, -0.0000617300000000 ] - [ 0.0005958700000000, -0.0002685500000000, 0.0000919500000000 ] - [ -0.0006407800000000, -0.0000843300000000, -0.0028502300000000 ] - [ -0.0001041500000000, -0.0000410400000000, -0.0010155500000000 ] - [ -0.0024550300000000, -0.0001356300000000, 0.0076583700000000 ] - [ 0.0002876100000000, -0.0000257800000000, 0.0000091600000000 ] - [ 0.0006340400000000, 0.0001378600000000, 0.0008149200000000 ] - [ -0.0003641400000000, 0.0002142800000000, 0.0007226800000000 ] - [ 0.0011896900000000, 0.0001000200000000, -0.0031696100000000 ] - [ 0.0003173400000000, -0.0005183400000000, -0.0003261200000000 ] - [ -0.0001921000000000, -0.0008963400000000, -0.0018298400000000 ] - [ -0.0001780800000000, -0.0007850200000000, -0.0001896300000000 ] - [ 0.0007487900000000, 0.0026989300000000, 0.0042799900000000 ] - [ -0.0001581600000000, 0.0005681600000000, 0.0004506300000000 ] - [ -0.0003849800000000, -0.0076338600000000, 0.0067502900000000 ] - [ 0.0003445800000000, 0.0006127900000000, 0.0000374700000000 ] - [ 0.0058870600000000, 0.0204512300000000, -0.0134602500000000 ] - [ 0.0004441400000000, 0.0007264200000000, 0.0008709200000000 ] - [ -0.0000291000000000, 0.0015170800000000, -0.0004447200000000 ] - [ -0.0004555900000000, 0.0007779200000000, -0.0005953000000000 ] - [ -0.0014480600000000, 0.0001175200000000, -0.0012011300000000 ] - [ -0.0001730100000000, -0.0007376100000000, -0.0007140000000000 ] - [ -0.0000195000000000, 0.0006003700000000, -0.0016104800000000 ] - [ -0.0001078300000000, 0.0003808100000000, 0.0004698200000000 ] - [ 0.0010293000000000, -0.0003829800000000, -0.0008062300000000 ] - [ 0.0002921600000000, -0.0001771500000000, -0.0009337400000000 ] - [ -0.0009684100000000, 0.0005068200000000, -0.0021049200000000 ] - [ -0.0008583600000000, -0.0001577900000000, -0.0011350500000000 ] - [ -0.0001714900000000, -0.0006232400000000, 0.0034936200000000 ] - [ -0.0008460300000000, -0.0002245800000000, 0.0032853500000000 ] - [ -0.0001335200000000, -0.0000363200000000, 0.0007374300000000 ] - [ 0.0007802900000000, 0.0002217000000000, -0.0003374000000000 ] - [ -0.0013931300000000, 0.0000171200000000, -0.0007611900000000 ] - [ -0.0006757000000000, 0.0000693400000000, -0.0003786100000000 ] - [ 0.0273707900000000, 0.0687559900000000, -0.0713981500000000 ] - [ 0.0005372000000000, -0.0000415500000000, -0.0003162200000000 ] - [ 0.0012348300000000, 0.0000112000000000, 0.0064162600000000 ] - [ 0.0007248600000000, -0.0001089400000000, 0.0004611000000000 ] - [ -0.0002941500000000, 0.0001474700000000, 0.0015479200000000 ] - [ -0.0011523600000000, 0.0001834400000000, 0.0002139300000000 ] - [ 0.0019017300000000, 0.0001265500000000, -0.0022008500000000 ] - [ -0.0015782500000000, 0.0003656300000000, -0.0019726800000000 ] - [ 0.0006275900000000, 0.0012463300000000, -0.0004899300000000 ] - [ -0.0007870100000000, 0.0002812000000000, -0.0000977900000000 ] - [ -0.0007099100000000, 0.0015687300000000, 0.0018972700000000 ] - [ -0.0000343100000000, -0.0002283500000000, 0.0003150400000000 ] - [ -0.0004112500000000, 0.0001580600000000, 0.0012011100000000 ] - [ 0.0011493900000000, 0.0003088800000000, 0.0008466200000000 ] - [ 0.0009018000000000, -0.0016851100000000, -0.0022594600000000 ] - [ 0.0004464800000000, 0.0004982400000000, 0.0000140400000000 ] - [ -0.0061410800000000, -0.0012621400000000, -0.0006309200000000 ] - [ -0.0000132300000000, 0.0003163600000000, -0.0005467700000000 ] - [ 0.0038222100000000, -0.0010512700000000, 0.0039918400000000 ] - [ -0.0009184400000000, -0.0005011200000000, 0.0000057800000000 ] - [ 0.0007197800000000, -0.0011512600000000, 0.0013748600000000 ] - [ 0.0004757600000000, -0.0004494500000000, 0.0004444500000000 ] - [ 0.0002499500000000, 0.0005085000000000, -0.0013512800000000 ] - [ -0.0003379100000000, 0.0002560800000000, -0.0010618600000000 ] - [ 0.0076146100000000, -0.0005586300000000, 0.0011333100000000 ] - [ -0.0008219100000000, 0.0001925000000000, 0.0001993400000000 ] - [ -0.0037149300000000, -0.0001616800000000, 0.0045595000000000 ] - [ 0.0003483200000000, -0.0002777900000000, 0.0005703500000000 ] - [ -0.0001947600000000, -0.0001442100000000, 0.0004390600000000 ] - [ 0.0000250400000000, -0.0003689600000000, 0.0001398800000000 ] - [ 0.0002501400000000, 0.0018207200000000, 0.0049013700000000 ] - [ -0.0004251000000000, 0.0000901700000000, -0.0002350400000000 ] - [ 0.0006394300000000, 0.0039075400000000, 0.0042963700000000 ] - [ -0.0002650300000000, -0.0001563800000000, 0.0013847700000000 ] - [ -0.0015229300000000, 0.0034088600000000, 0.0002264700000000 ] - [ 0.0003301800000000, 0.0001436500000000, 0.0003812500000000 ] - [ 0.0035148200000000, -0.0140372900000000, -0.0306447900000000 ] - [ -0.0004738800000000, -0.0000256200000000, -0.0013307800000000 ]- atom: 49 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ -0.0050159800000000, 0.0001461600000000, -0.0025410800000000 ] - [ 0.0025435400000000, -0.0003236400000000, -0.0005443700000000 ] - [ 0.0012784100000000, -0.0001373500000000, 0.0007991100000000 ] - [ -0.0012390400000000, -0.0005505900000000, -0.0006979100000000 ] - [ 0.0017698400000000, -0.0001269500000000, -0.0002564300000000 ] - [ -0.0028895400000000, 0.0020124800000000, 0.0039039800000000 ] - [ -0.0053218700000000, 0.0008571700000000, 0.0006469100000000 ] - [ 0.0024455600000000, 0.0002409000000000, -0.0007371400000000 ] - [ 0.0014434000000000, 0.0024577800000000, 0.0023211000000000 ] - [ 0.0019148500000000, -0.0013577000000000, -0.0005095900000000 ] - [ -0.0021150500000000, -0.0007492800000000, -0.0031799500000000 ] - [ 0.0013116800000000, 0.0007382800000000, 0.0004635900000000 ] - [ -0.0013230000000000, -0.0006976500000000, 0.0003414900000000 ] - [ 0.0009250000000000, -0.0004650900000000, -0.0005674900000000 ] - [ 0.0009530300000000, 0.0003347800000000, -0.0028918300000000 ] - [ 0.0023109600000000, -0.0000692800000000, 0.0032049700000000 ] - [ 0.0015961800000000, 0.0003994900000000, 0.0001740500000000 ] - [ -0.0022831700000000, -0.0002805400000000, 0.0020919700000000 ] - [ -0.0029778200000000, 0.0000271600000000, -0.0006139000000000 ] - [ 0.0017973600000000, 0.0003305100000000, -0.0004910400000000 ] - [ -0.0019031900000000, -0.0002904300000000, -0.0006790000000000 ] - [ 0.0016534900000000, -0.0003003900000000, -0.0005450700000000 ] - [ 0.0023074600000000, 0.0001688000000000, 0.0009336800000000 ] - [ 0.0097397200000000, -0.0071606900000000, -0.0174437300000000 ] - [ 0.0008614300000000, -0.0006311000000000, 0.0010728600000000 ] - [ -0.0006863800000000, -0.0006054900000000, 0.0006649700000000 ] - [ -0.0018896100000000, -0.0012662200000000, -0.0009336900000000 ] - [ 0.0014128200000000, -0.0000165900000000, -0.0003126700000000 ] - [ 0.0009095400000000, -0.0007482200000000, -0.0004716800000000 ] - [ 0.0002459500000000, -0.0007757700000000, 0.0016466200000000 ] - [ -0.0035767600000000, 0.0024025500000000, -0.0017564100000000 ] - [ 0.0018984600000000, -0.0001715300000000, -0.0002395100000000 ] - [ 0.0028065100000000, 0.0008176200000000, -0.0007854100000000 ] - [ 0.0237912700000000, -0.0258872300000000, 0.0051504800000000 ] - [ -0.0039555500000000, 0.0000273800000000, 0.0004738100000000 ] - [ 0.0018976600000000, 0.0008468900000000, 0.0008187000000000 ] - [ -0.0016148100000000, -0.0005335100000000, 0.0005316600000000 ] - [ 0.0011943500000000, -0.0007052000000000, 0.0008429000000000 ] - [ 0.0018164300000000, -0.0000037900000000, -0.0000176300000000 ] - [ -0.0014793200000000, -0.0012118600000000, -0.0019939700000000 ] - [ 0.0007288600000000, -0.0012367500000000, 0.0002891100000000 ] - [ 0.0006679700000000, -0.0002399000000000, -0.0004859400000000 ] - [ -0.0017919500000000, -0.0000623000000000, 0.0005178800000000 ] - [ 0.0006572800000000, -0.0011524600000000, 0.0000200500000000 ] - [ 0.0199215900000000, 0.0247099600000000, 0.0027092200000000 ] - [ 0.0020079100000000, 0.0002881600000000, -0.0003381200000000 ] - [ 0.0025052600000000, -0.0030770500000000, -0.0004816800000000 ] - [ 0.0015833400000000, 0.0038799300000000, 0.0004867300000000 ] - [ -0.4914372800000000, 0.0225556200000000, -0.0182534100000000 ] - [ 0.0053128000000000, -0.0002422200000000, 0.0004330200000000 ] - [ 0.0031620800000000, -0.0002654400000000, -0.0006747900000000 ] - [ -0.0034337700000000, -0.0008133600000000, -0.0000888200000000 ] - [ 0.0019562800000000, 0.0000064500000000, -0.0002889000000000 ] - [ -0.0024292900000000, 0.0004746700000000, -0.0004240800000000 ] - [ -0.0028393700000000, 0.0000152800000000, 0.0006257400000000 ] - [ 0.0025992900000000, 0.0002821300000000, 0.0005582600000000 ] - [ 0.0019014200000000, 0.0020564400000000, -0.0007912800000000 ] - [ 0.0015956300000000, -0.0018307000000000, -0.0004425500000000 ] - [ 0.0416871600000000, -0.0256926800000000, -0.0112007100000000 ] - [ 0.0050897600000000, -0.0014026800000000, -0.0006043000000000 ] - [ -0.0011901100000000, 0.0006164600000000, 0.0004524600000000 ] - [ 0.0006635500000000, 0.0006566300000000, -0.0001456800000000 ] - [ 0.0006606400000000, 0.0001434200000000, 0.0001374900000000 ] - [ 0.0003762700000000, 0.0010268200000000, -0.0003282000000000 ] - [ 0.0017966200000000, -0.0004862700000000, 0.0019345700000000 ] - [ 0.0010438500000000, 0.0018442000000000, -0.0009799500000000 ] - [ -0.0020142700000000, 0.0010586300000000, -0.0013253700000000 ] - [ 0.0015392600000000, 0.0003961000000000, 0.0000891700000000 ] - [ 0.0097263700000000, 0.0012751900000000, 0.0185816500000000 ] - [ 0.0018456700000000, -0.0009177800000000, -0.0011462500000000 ] - [ 0.0052520700000000, 0.0016374200000000, 0.0019631800000000 ] - [ 0.0371100800000000, 0.0207463200000000, 0.0065925900000000 ] - [ -0.0017285800000000, -0.0005770100000000, -0.0004627500000000 ] - [ 0.0033738400000000, 0.0010223500000000, -0.0013839200000000 ] - [ 0.0028328700000000, 0.0005529400000000, 0.0007338500000000 ] - [ -0.0029977400000000, -0.0003590100000000, 0.0006381300000000 ] - [ 0.0038252900000000, -0.0002013000000000, 0.0008134800000000 ] - [ -0.0037224700000000, 0.0002919600000000, 0.0006924600000000 ] - [ -0.0048663500000000, -0.0015500200000000, -0.0009317400000000 ] - [ 0.1601401900000000, -0.0250280200000000, -0.0308589100000000 ] - [ 0.0016192600000000, -0.0006597200000000, 0.0004618400000000 ] - [ -0.0029316000000000, 0.0003607800000000, -0.0008060900000000 ] - [ -0.0007049100000000, 0.0009435600000000, -0.0015631100000000 ] - [ 0.0017347200000000, -0.0006944700000000, 0.0017782400000000 ] - [ -0.0017523200000000, 0.0007381400000000, 0.0018449700000000 ] - [ 0.0025997000000000, -0.0007192900000000, -0.0011598500000000 ] - [ 0.1772080000000000, 0.0169455900000000, 0.0483586600000000 ] - [ -0.0061506600000000, 0.0013881200000000, 0.0005714800000000 ] - [ 0.0027703800000000, -0.0001601900000000, -0.0002497900000000 ] - [ -0.0014717100000000, 0.0004122200000000, -0.0000164100000000 ] - [ -0.0027429900000000, 0.0000149400000000, 0.0003397100000000 ] - [ 0.0020309000000000, 0.0001993500000000, -0.0015201300000000 ] - [ -0.0032108700000000, -0.0006455000000000, -0.0004994500000000 ] - [ 0.0023016800000000, 0.0064209200000000, 0.0039502300000000 ] - [ 0.0129153400000000, 0.0010663500000000, 0.0009337400000000 ] - [ -0.0028339000000000, -0.0005233300000000, -0.0001929000000000 ] - [ -0.0034107300000000, -0.0007888100000000, -0.0030291600000000 ] - [ -0.0031450900000000, 0.0004920700000000, 0.0036096800000000 ] - [ 0.0009081900000000, 0.0009388400000000, 0.0002854600000000 ] - [ -0.0020904800000000, 0.0003675600000000, -0.0006642200000000 ] - [ 0.0019771000000000, 0.0054142100000000, -0.0034537000000000 ] - [ -0.0033080800000000, -0.0014099700000000, 0.0006141500000000 ] - [ -0.0022812400000000, -0.0019359100000000, 0.0037028600000000 ] - [ -0.0039807800000000, 0.0016407300000000, -0.0041128000000000 ] - [ 0.0097360500000000, -0.0006335100000000, -0.0002105500000000 ] - [ -0.0026381400000000, 0.0002823200000000, -0.0003565500000000 ] - [ -0.0015637700000000, 0.0004737700000000, 0.0006814500000000 ] - [ 0.0017417700000000, -0.0003052800000000, -0.0002776300000000 ] - [ -0.0026429900000000, 0.0005897300000000, -0.0003415400000000 ] - [ 0.0030781500000000, -0.0053055500000000, 0.0034972300000000 ] - [ 0.0130858800000000, -0.0005217500000000, -0.0005134900000000 ] - [ -0.0027785200000000, -0.0002191200000000, -0.0002877300000000 ] - [ -0.0103144300000000, 0.0044674300000000, 0.0098864000000000 ] - [ -0.0089928500000000, -0.0052919700000000, -0.0124120300000000 ] - [ 0.0051415900000000, -0.0103233800000000, -0.0052486500000000 ] - [ -0.0038250600000000, 0.0007967300000000, 0.0014539800000000 ] - [ 0.0031134100000000, -0.0004187900000000, 0.0029939500000000 ] - [ -0.0033328500000000, -0.0002160600000000, -0.0007194100000000 ] - [ -0.0007643700000000, -0.0009887600000000, -0.0021676900000000 ] - [ -0.0007596700000000, 0.0006639800000000, 0.0003337900000000 ]- atom: 49 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ 0.0053701000000000, -0.0006323000000000, 0.0016277400000000 ] - [ -0.0021454100000000, -0.0001663100000000, -0.0004613500000000 ] - [ -0.0016792500000000, -0.0003526500000000, 0.0002066500000000 ] - [ 0.0008430500000000, 0.0000611200000000, 0.0017056800000000 ] - [ -0.0021740300000000, 0.0006176300000000, 0.0012567600000000 ] - [ 0.0025250300000000, -0.0015256700000000, -0.0029128000000000 ] - [ 0.0057133400000000, -0.0003745000000000, -0.0016505600000000 ] - [ -0.0020461800000000, 0.0002495300000000, -0.0002654400000000 ] - [ -0.0008026800000000, -0.0018565600000000, -0.0017250500000000 ] - [ -0.0012721900000000, 0.0019554200000000, 0.0010973000000000 ] - [ 0.0014442500000000, 0.0013537900000000, 0.0025770200000000 ] - [ -0.0019465100000000, -0.0001353200000000, -0.0010526100000000 ] - [ 0.0006798000000000, 0.0000935600000000, -0.0009275800000000 ] - [ -0.0015615200000000, -0.0001400700000000, -0.0000171100000000 ] - [ -0.0003260300000000, -0.0009280800000000, 0.0034580900000000 ] - [ -0.0016709100000000, -0.0005292200000000, -0.0026313200000000 ] - [ -0.0018327900000000, 0.0001109100000000, 0.0008358800000000 ] - [ 0.0020641800000000, 0.0007879400000000, -0.0010734200000000 ] - [ 0.0032165900000000, 0.0004904500000000, -0.0004017800000000 ] - [ -0.0015615500000000, 0.0001792100000000, -0.0005191200000000 ] - [ 0.0021439700000000, -0.0002035500000000, -0.0003335800000000 ] - [ -0.0014172800000000, -0.0002096800000000, -0.0004693300000000 ] - [ -0.0025454700000000, -0.0006766500000000, 0.0000848700000000 ] - [ -0.0099692600000000, 0.0066983900000000, 0.0185830000000000 ] - [ -0.0009095600000000, -0.0003451000000000, 0.0003449700000000 ] - [ 0.0006431500000000, -0.0003737100000000, 0.0007548300000000 ] - [ 0.0019398500000000, 0.0002996600000000, -0.0004710800000000 ] - [ -0.0013646700000000, -0.0009581000000000, -0.0011047700000000 ] - [ -0.0001501400000000, -0.0006573700000000, 0.0018028300000000 ] - [ 0.0005217100000000, -0.0006288300000000, -0.0003137400000000 ] - [ 0.0036163500000000, -0.0014212800000000, 0.0003296600000000 ] - [ -0.0018501600000000, 0.0011453400000000, -0.0011777000000000 ] - [ -0.0026427300000000, 0.0002890700000000, -0.0005751800000000 ] - [ -0.0238710300000000, 0.0273846900000000, -0.0065733000000000 ] - [ 0.0037902300000000, 0.0011100500000000, 0.0008810700000000 ] - [ -0.0020618300000000, 0.0002555000000000, 0.0005402900000000 ] - [ 0.0014516700000000, -0.0005660400000000, 0.0008249300000000 ] - [ -0.0013585200000000, -0.0003964100000000, 0.0005148900000000 ] - [ -0.0016548700000000, -0.0011005400000000, -0.0013437200000000 ] - [ 0.0016466300000000, 0.0001076400000000, 0.0006371400000000 ] - [ 0.0004460500000000, -0.0001724900000000, -0.0003935300000000 ] - [ 0.0005120800000000, -0.0011709800000000, 0.0003834000000000 ] - [ 0.0006083500000000, -0.0013529200000000, -0.0004064100000000 ] - [ -0.0018336100000000, -0.0002562200000000, 0.0000826600000000 ] - [ -0.0208672000000000, -0.0229819300000000, -0.0025659100000000 ] - [ -0.0031839700000000, 0.0011254600000000, 0.0004442800000000 ] - [ -0.0013234700000000, 0.0044581200000000, 0.0003814600000000 ] - [ -0.0004089200000000, -0.0024916100000000, -0.0005915100000000 ] - [ 0.4915752500000000, -0.0268541700000000, 0.0115193100000000 ] - [ -0.0049941400000000, -0.0001043900000000, 0.0004687900000000 ] - [ -0.0034787300000000, -0.0000871700000000, -0.0002272000000000 ] - [ 0.0031307400000000, 0.0004662900000000, -0.0008142700000000 ] - [ -0.0022788000000000, 0.0003449300000000, -0.0006117500000000 ] - [ 0.0021196300000000, -0.0001223900000000, -0.0004762700000000 ] - [ 0.0031601800000000, 0.0003341200000000, 0.0002780300000000 ] - [ -0.0022819100000000, 0.0000679400000000, 0.0003428000000000 ] - [ -0.0013936700000000, -0.0033221000000000, 0.0005930300000000 ] - [ -0.0010926200000000, 0.0005609900000000, 0.0002482100000000 ] - [ -0.0414992900000000, 0.0239254200000000, 0.0112843300000000 ] - [ -0.0056180600000000, 0.0001367200000000, 0.0008062700000000 ] - [ 0.0006822000000000, 0.0006510900000000, -0.0002534500000000 ] - [ -0.0011659900000000, 0.0006154200000000, 0.0003398800000000 ] - [ -0.0001607200000000, 0.0011297900000000, -0.0003332300000000 ] - [ 0.0001314800000000, 0.0002453800000000, 0.0001327800000000 ] - [ -0.0010391000000000, 0.0018940800000000, -0.0005975000000000 ] - [ -0.0002781900000000, -0.0004397300000000, 0.0023212500000000 ] - [ 0.0012354500000000, 0.0003409900000000, -0.0000020200000000 ] - [ -0.0023017900000000, 0.0010093300000000, -0.0014232900000000 ] - [ -0.0105149900000000, -0.0026823300000000, -0.0197952600000000 ] - [ -0.0026071400000000, -0.0004837900000000, -0.0001863300000000 ] - [ -0.0052762300000000, -0.0006543700000000, -0.0005324400000000 ] - [ -0.0377731700000000, -0.0201563000000000, -0.0051815500000000 ] - [ 0.0028222600000000, 0.0003732800000000, -0.0008255600000000 ] - [ -0.0022886000000000, -0.0012204400000000, 0.0000843300000000 ] - [ -0.0039321300000000, -0.0007639900000000, 0.0005597200000000 ] - [ 0.0019102700000000, 0.0001525700000000, 0.0006511000000000 ] - [ -0.0049330500000000, 0.0003892700000000, 0.0004786000000000 ] - [ 0.0026321100000000, -0.0000854600000000, 0.0005979700000000 ] - [ 0.0059555800000000, 0.0017447000000000, -0.0003628100000000 ] - [ -0.1708406800000000, 0.0277335200000000, 0.0327501500000000 ] - [ -0.0032615400000000, 0.0006582000000000, -0.0006158300000000 ] - [ 0.0012873200000000, -0.0003724800000000, 0.0006627300000000 ] - [ 0.0023541800000000, -0.0009560300000000, 0.0017055400000000 ] - [ -0.0000983200000000, 0.0006854100000000, -0.0016396500000000 ] - [ 0.0033962800000000, -0.0007225000000000, -0.0016947000000000 ] - [ -0.0009676000000000, 0.0007330100000000, 0.0013077600000000 ] - [ -0.1669323100000000, -0.0154330900000000, -0.0442831200000000 ] - [ 0.0045104100000000, -0.0013871200000000, -0.0007201500000000 ] - [ -0.0018701400000000, 0.0005037300000000, 0.0001560400000000 ] - [ 0.0023740800000000, -0.0000676700000000, -0.0000764900000000 ] - [ 0.0018443000000000, 0.0003292000000000, -0.0002437400000000 ] - [ -0.0029533400000000, 0.0001423600000000, 0.0016117800000000 ] - [ 0.0023090100000000, 0.0003004400000000, 0.0005895900000000 ] - [ -0.0032124300000000, -0.0067678500000000, -0.0038680600000000 ] - [ -0.0120100400000000, -0.0014232000000000, -0.0010173300000000 ] - [ 0.0037362800000000, 0.0001798800000000, 0.0001037000000000 ] - [ 0.0044654600000000, 0.0016458900000000, 0.0035063000000000 ] - [ 0.0041789900000000, 0.0003588700000000, -0.0031323800000000 ] - [ -0.0019425400000000, -0.0000841400000000, -0.0007631400000000 ] - [ 0.0010460600000000, 0.0004874500000000, 0.0001893500000000 ] - [ -0.0029931500000000, -0.0062673500000000, 0.0029684200000000 ] - [ 0.0022687600000000, 0.0005597300000000, -0.0010970300000000 ] - [ 0.0033293300000000, 0.0010803000000000, -0.0032178500000000 ] - [ 0.0050248000000000, -0.0024965500000000, 0.0045986700000000 ] - [ -0.0097584200000000, 0.0011263200000000, -0.0005062300000000 ] - [ 0.0026209600000000, 0.0002016000000000, -0.0003727200000000 ] - [ 0.0015844100000000, 0.0000111300000000, 0.0000476900000000 ] - [ -0.0017321900000000, 0.0007892700000000, 0.0010030900000000 ] - [ 0.0026612100000000, -0.0010715300000000, 0.0010623700000000 ] - [ -0.0030869100000000, 0.0048278500000000, -0.0027772300000000 ] - [ -0.0130971600000000, 0.0000802700000000, -0.0002267000000000 ] - [ 0.0027609700000000, -0.0002665100000000, -0.0004374500000000 ] - [ 0.0097250700000000, -0.0045433300000000, -0.0113264700000000 ] - [ 0.0084252500000000, 0.0052253500000000, 0.0109743900000000 ] - [ -0.0045370600000000, 0.0102233800000000, 0.0067209100000000 ] - [ 0.0044051600000000, -0.0008798200000000, 0.0000258300000000 ] - [ -0.0024869600000000, 0.0004901900000000, -0.0015133900000000 ] - [ 0.0039119300000000, 0.0002995900000000, 0.0022108100000000 ] - [ 0.0001931700000000, 0.0010704000000000, 0.0006779400000000 ] - [ 0.0001759000000000, -0.0005792000000000, -0.0018243800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003036000000000, -0.0041465000000000, -0.0000018700000000 ] - [ 0.0001709600000000, -0.0005595600000000, -0.0004572300000000 ] - [ -0.0000468500000000, 0.0001890400000000, 0.0004636700000000 ] - [ -0.0002123900000000, 0.0011416500000000, 0.0004764300000000 ] - [ -0.0005999500000000, 0.0003349600000000, 0.0007641900000000 ] - [ 0.0014798200000000, 0.0006320600000000, 0.0022000100000000 ] - [ 0.0005043200000000, 0.0022095800000000, 0.0016761700000000 ] - [ 0.0001323900000000, 0.0002423600000000, -0.0004300500000000 ] - [ 0.0011086900000000, 0.0008127600000000, 0.0014154600000000 ] - [ -0.0001469100000000, 0.0006694700000000, 0.0006558500000000 ] - [ -0.0015766800000000, 0.0003589800000000, 0.0013923500000000 ] - [ 0.0000307100000000, 0.0001886400000000, 0.0000410000000000 ] - [ -0.0002196400000000, 0.0011416200000000, -0.0002782000000000 ] - [ -0.0004175200000000, 0.0001111000000000, -0.0002738800000000 ] - [ 0.0000768000000000, -0.0018986300000000, 0.0010262200000000 ] - [ 0.0004138500000000, -0.0018049000000000, 0.0006334200000000 ] - [ 0.0000675000000000, 0.0000916000000000, 0.0002986000000000 ] - [ -0.0008018300000000, 0.0003312000000000, -0.0014329300000000 ] - [ 0.0001706800000000, 0.0009167600000000, -0.0021342700000000 ] - [ 0.0000786900000000, 0.0003391400000000, -0.0005877400000000 ] - [ 0.0002924200000000, 0.0022072500000000, -0.0001587700000000 ] - [ 0.0000877300000000, -0.0000259700000000, -0.0005325000000000 ] - [ -0.0000227500000000, -0.0007488800000000, 0.0004025500000000 ] - [ -0.0050289400000000, -0.0057446900000000, 0.0049341600000000 ] - [ 0.0000995900000000, -0.0003653400000000, 0.0008341300000000 ] - [ -0.0001800600000000, 0.0001749200000000, 0.0004691000000000 ] - [ 0.0000719400000000, -0.0010319500000000, -0.0006935200000000 ] - [ 0.0000058600000000, -0.0005810700000000, -0.0006591000000000 ] - [ 0.0003668300000000, 0.0000244400000000, 0.0005573000000000 ] - [ 0.0005187300000000, 0.0001220700000000, 0.0006446500000000 ] - [ -0.0004535900000000, 0.0044455500000000, -0.0009986000000000 ] - [ -0.0001697100000000, 0.0007547900000000, -0.0007945800000000 ] - [ 0.0008672000000000, -0.0000549300000000, -0.0006416600000000 ] - [ -0.0247627600000000, 0.0093619700000000, -0.0056882400000000 ] - [ -0.0001184700000000, 0.0064097300000000, 0.0009171900000000 ] - [ -0.0000283900000000, 0.0008672500000000, 0.0006966900000000 ] - [ -0.0000918300000000, -0.0000257100000000, 0.0006835300000000 ] - [ -0.0001227100000000, -0.0004024000000000, 0.0007140300000000 ] - [ 0.0000541100000000, -0.0008075400000000, -0.0006637200000000 ] - [ 0.0000284200000000, -0.0008607800000000, -0.0005992000000000 ] - [ 0.0005375900000000, -0.0003046800000000, 0.0000936600000000 ] - [ 0.0006896800000000, -0.0003525200000000, 0.0000427700000000 ] - [ -0.0004108100000000, -0.0014500800000000, 0.0001428300000000 ] - [ -0.0007018700000000, -0.0009415000000000, 0.0001831800000000 ] - [ 0.0199547100000000, 0.0076542600000000, 0.0007192900000000 ] - [ -0.0014476800000000, 0.0001361200000000, 0.0002373900000000 ] - [ -0.0002274300000000, 0.0028516400000000, -0.0001053800000000 ] - [ 0.0010114800000000, 0.0024577600000000, -0.0000020100000000 ] - [ 0.0250281400000000, -0.0714800900000000, -0.0184500900000000 ] - [ 0.0000916800000000, -0.0009090300000000, 0.0003639500000000 ] - [ -0.0000718800000000, 0.0003582000000000, -0.0005355100000000 ] - [ 0.0004712900000000, 0.0015508000000000, -0.0005325100000000 ] - [ -0.0003306500000000, 0.0002341300000000, -0.0004647000000000 ] - [ 0.0001368500000000, 0.0000348400000000, -0.0004599700000000 ] - [ 0.0003196000000000, 0.0002581900000000, 0.0003663600000000 ] - [ 0.0000532100000000, 0.0001506300000000, 0.0003340300000000 ] - [ 0.0012660700000000, 0.0016295300000000, -0.0005818500000000 ] - [ -0.0003080400000000, 0.0009140100000000, -0.0001524400000000 ] - [ -0.0234734200000000, 0.0030818000000000, 0.0054866200000000 ] - [ 0.0014812000000000, -0.0012244400000000, -0.0002568200000000 ] - [ -0.0000918400000000, 0.0010795400000000, 0.0000168400000000 ] - [ -0.0003287200000000, 0.0007847900000000, 0.0001061200000000 ] - [ 0.0000758300000000, 0.0005121600000000, 0.0002077400000000 ] - [ 0.0003519800000000, 0.0003066100000000, 0.0000036200000000 ] - [ 0.0001348200000000, 0.0006438400000000, 0.0003086800000000 ] - [ 0.0006915700000000, 0.0005443200000000, 0.0001254500000000 ] - [ 0.0006821500000000, 0.0011433400000000, -0.0021507700000000 ] - [ -0.0009976500000000, 0.0008299200000000, -0.0011074700000000 ] - [ -0.0012384700000000, -0.0080197800000000, -0.0020305900000000 ] - [ -0.0005133700000000, -0.0011343900000000, -0.0009510600000000 ] - [ -0.0018948300000000, -0.0003253300000000, 0.0000179500000000 ] - [ 0.0200222800000000, 0.0014060100000000, 0.0037491800000000 ] - [ 0.0005773900000000, 0.0000548000000000, -0.0005666000000000 ] - [ 0.0005845000000000, -0.0006060100000000, 0.0004834200000000 ] - [ -0.0007306200000000, 0.0003192200000000, 0.0016971800000000 ] - [ -0.0004033200000000, -0.0001587400000000, 0.0006441800000000 ] - [ -0.0010264100000000, -0.0054366000000000, 0.0002058200000000 ] - [ -0.0005188500000000, -0.0004022100000000, 0.0006830700000000 ] - [ 0.0005969300000000, 0.0020602700000000, -0.0004949100000000 ] - [ -0.0251213400000000, 0.0350264700000000, 0.0056094200000000 ] - [ -0.0011719300000000, 0.0004808600000000, 0.0008347600000000 ] - [ -0.0007257700000000, 0.0001047800000000, 0.0002908300000000 ] - [ 0.0009776400000000, -0.0002976600000000, 0.0001876900000000 ] - [ 0.0004686300000000, -0.0000279500000000, 0.0001781300000000 ] - [ 0.0007738300000000, -0.0023539000000000, 0.0002728000000000 ] - [ 0.0005913300000000, -0.0021939400000000, 0.0001317400000000 ] - [ 0.0131573100000000, 0.0299465900000000, 0.0049930900000000 ] - [ -0.0008616100000000, 0.0018298600000000, 0.0004191400000000 ] - [ 0.0005486600000000, -0.0014579800000000, -0.0004870400000000 ] - [ 0.0004757400000000, -0.0000401400000000, -0.0000872600000000 ] - [ -0.0001728700000000, 0.0005198300000000, -0.0001626600000000 ] - [ -0.0006451500000000, 0.0017869700000000, -0.0004982800000000 ] - [ -0.0010883000000000, -0.0003584400000000, -0.0000911000000000 ] - [ 0.0007298800000000, -0.0035814900000000, -0.0023637600000000 ] - [ -0.0002065400000000, 0.0026729500000000, -0.0023154500000000 ] - [ 0.0004628300000000, -0.0002220300000000, -0.0001898300000000 ] - [ 0.0004135900000000, 0.0010865900000000, -0.0000848000000000 ] - [ 0.0014184700000000, 0.0009281000000000, -0.0001949400000000 ] - [ -0.0001286400000000, -0.0008189200000000, -0.0006800400000000 ] - [ -0.0005472400000000, 0.0000113600000000, -0.0003324200000000 ] - [ 0.0019341200000000, -0.0028634300000000, 0.0025878100000000 ] - [ -0.0009075200000000, -0.0007512600000000, 0.0001622600000000 ] - [ -0.0013599500000000, -0.0003217400000000, 0.0022325600000000 ] - [ 0.0033464100000000, -0.0010120900000000, 0.0024462300000000 ] - [ -0.0008079700000000, 0.0017881700000000, -0.0019939200000000 ] - [ 0.0000537100000000, 0.0004388800000000, -0.0003695300000000 ] - [ 0.0000837700000000, -0.0001328600000000, 0.0002220900000000 ] - [ -0.0004157700000000, -0.0007927000000000, -0.0002465700000000 ] - [ 0.0003623500000000, -0.0006943700000000, 0.0007315900000000 ] - [ -0.0020968100000000, -0.0032589500000000, 0.0026257600000000 ] - [ -0.0015313200000000, -0.0005500200000000, 0.0068007200000000 ] - [ 0.0001052300000000, -0.0000279900000000, -0.0003066500000000 ] - [ 0.0039220900000000, -0.0012092400000000, -0.0041565200000000 ] - [ -0.0038803600000000, -0.0007297000000000, -0.0043722200000000 ] - [ -0.0008965400000000, -0.0061689200000000, -0.0023595100000000 ] - [ 0.0010962000000000, -0.0004341000000000, 0.0005196500000000 ] - [ 0.0001971100000000, 0.0016131900000000, -0.0005235900000000 ] - [ 0.0001945400000000, 0.0005590000000000, 0.0004093100000000 ] - [ -0.0005794100000000, -0.0010326800000000, -0.0011640500000000 ] - [ -0.0001413700000000, -0.0007324800000000, -0.0009227500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000933300000000, 0.0036663300000000, -0.0009786400000000 ] - [ 0.0002338000000000, 0.0000707300000000, -0.0005506600000000 ] - [ -0.0003569700000000, -0.0006778400000000, 0.0005431200000000 ] - [ -0.0001962600000000, -0.0016350400000000, 0.0005325600000000 ] - [ 0.0001959300000000, 0.0001553900000000, 0.0002442900000000 ] - [ -0.0019055900000000, -0.0001379800000000, -0.0011933400000000 ] - [ -0.0000955300000000, -0.0017152600000000, -0.0026625600000000 ] - [ 0.0002734400000000, 0.0002459700000000, -0.0005778400000000 ] - [ -0.0004729500000000, -0.0002145300000000, -0.0008299400000000 ] - [ 0.0007857400000000, -0.0000710200000000, -0.0000708200000000 ] - [ 0.0009628600000000, 0.0002551200000000, -0.0019832700000000 ] - [ -0.0006681500000000, 0.0004206100000000, -0.0006275400000000 ] - [ -0.0004098000000000, -0.0017534300000000, -0.0003062500000000 ] - [ -0.0002180300000000, -0.0007219200000000, -0.0003133500000000 ] - [ 0.0005611100000000, 0.0012930800000000, -0.0004388900000000 ] - [ 0.0002203100000000, 0.0011993200000000, -0.0000468200000000 ] - [ -0.0003011600000000, 0.0004242800000000, 0.0007158100000000 ] - [ 0.0005553400000000, 0.0001822400000000, 0.0024381900000000 ] - [ 0.0000652200000000, -0.0003996300000000, 0.0011316100000000 ] - [ 0.0001556100000000, 0.0001780600000000, -0.0004275500000000 ] - [ -0.0000606200000000, -0.0027360400000000, -0.0008675200000000 ] - [ 0.0001469400000000, -0.0004906500000000, -0.0004819500000000 ] - [ -0.0002151100000000, 0.0002314900000000, 0.0006155100000000 ] - [ 0.0048465400000000, 0.0051794100000000, -0.0039355700000000 ] - [ -0.0001454200000000, -0.0006091900000000, 0.0005829800000000 ] - [ 0.0001302300000000, -0.0011485100000000, 0.0009437000000000 ] - [ -0.0000219300000000, 0.0000681800000000, -0.0007249400000000 ] - [ 0.0000427400000000, -0.0003888200000000, -0.0007583300000000 ] - [ 0.0004019100000000, -0.0014307500000000, 0.0007871700000000 ] - [ 0.0002430200000000, -0.0015290700000000, 0.0006973400000000 ] - [ 0.0005093600000000, -0.0034830800000000, -0.0004101000000000 ] - [ 0.0002182700000000, 0.0002165400000000, -0.0006212100000000 ] - [ -0.0006999300000000, 0.0011549000000000, -0.0007175500000000 ] - [ 0.0246548900000000, -0.0082076500000000, 0.0042406300000000 ] - [ -0.0000420800000000, -0.0053704700000000, 0.0004439900000000 ] - [ -0.0001374500000000, 0.0002350100000000, 0.0006652000000000 ] - [ -0.0000738500000000, -0.0010725700000000, 0.0006749100000000 ] - [ -0.0000433200000000, -0.0006977100000000, 0.0006457400000000 ] - [ 0.0001085600000000, -0.0002965400000000, -0.0007024000000000 ] - [ 0.0001377100000000, -0.0002451700000000, -0.0007756000000000 ] - [ 0.0006422800000000, -0.0011072600000000, -0.0002012300000000 ] - [ 0.0004862100000000, -0.0010632300000000, -0.0001491200000000 ] - [ -0.0007665000000000, 0.0000285100000000, -0.0000453100000000 ] - [ -0.0004749100000000, -0.0004746700000000, -0.0000802200000000 ] - [ -0.0209199000000000, -0.0062108200000000, -0.0006403400000000 ] - [ 0.0002692300000000, 0.0012795900000000, -0.0001291700000000 ] - [ 0.0014050200000000, -0.0014298500000000, 0.0000034700000000 ] - [ 0.0001630700000000, -0.0010363000000000, -0.0000997400000000 ] - [ -0.0243634800000000, 0.0720870900000000, 0.0203927800000000 ] - [ 0.0002270400000000, 0.0005576000000000, 0.0005492000000000 ] - [ -0.0002467400000000, -0.0007101000000000, -0.0003749400000000 ] - [ -0.0008055100000000, -0.0019077500000000, -0.0003782100000000 ] - [ 0.0000108200000000, 0.0001185900000000, -0.0004475400000000 ] - [ -0.0004578400000000, 0.0003193000000000, -0.0004529800000000 ] - [ -0.0000023400000000, 0.0000900800000000, 0.0005421300000000 ] - [ 0.0002644900000000, 0.0001995100000000, 0.0005773800000000 ] - [ -0.0007633400000000, -0.0029070700000000, 0.0003927200000000 ] - [ 0.0008082200000000, -0.0021894800000000, -0.0000367500000000 ] - [ 0.0230963600000000, -0.0043436600000000, -0.0053198700000000 ] - [ -0.0019838600000000, -0.0000473400000000, 0.0004525900000000 ] - [ -0.0004098300000000, 0.0001906200000000, 0.0001727400000000 ] - [ -0.0001750900000000, 0.0004863300000000, 0.0000850800000000 ] - [ 0.0004284300000000, 0.0007615200000000, -0.0004062800000000 ] - [ 0.0001497600000000, 0.0009690300000000, -0.0001981700000000 ] - [ 0.0006291700000000, 0.0007698600000000, 0.0010307000000000 ] - [ 0.0000733600000000, 0.0008672900000000, 0.0012147200000000 ] - [ -0.0014334200000000, 0.0002635900000000, 0.0007993500000000 ] - [ 0.0002300400000000, 0.0005767400000000, -0.0002308200000000 ] - [ 0.0003933300000000, 0.0066081500000000, 0.0006451300000000 ] - [ -0.0002500000000000, -0.0002719000000000, -0.0003895100000000 ] - [ 0.0018449500000000, 0.0012961200000000, 0.0014017000000000 ] - [ -0.0201763900000000, -0.0004257100000000, -0.0023335800000000 ] - [ 0.0005162500000000, -0.0002535900000000, -0.0007230100000000 ] - [ 0.0005111800000000, 0.0004104600000000, -0.0017619200000000 ] - [ -0.0003633400000000, -0.0005339400000000, -0.0004076600000000 ] - [ -0.0006890700000000, -0.0000451400000000, 0.0006492500000000 ] - [ -0.0000505900000000, 0.0056587000000000, 0.0010961300000000 ] - [ -0.0005748900000000, 0.0006050300000000, 0.0006072400000000 ] - [ 0.0004979700000000, -0.0018550200000000, -0.0008005200000000 ] - [ 0.0265082800000000, -0.0353184900000000, -0.0070463400000000 ] - [ -0.0004760300000000, -0.0004811700000000, -0.0009673000000000 ] - [ -0.0009197800000000, -0.0001127500000000, -0.0004362200000000 ] - [ 0.0006690000000000, 0.0002843500000000, -0.0000357800000000 ] - [ 0.0011801600000000, 0.0000168800000000, -0.0000287900000000 ] - [ 0.0008695700000000, 0.0023619800000000, -0.0001321800000000 ] - [ 0.0010679000000000, 0.0022023100000000, 0.0000105700000000 ] - [ -0.0154244700000000, -0.0302483800000000, -0.0054082300000000 ] - [ -0.0007856000000000, -0.0018193700000000, -0.0005670800000000 ] - [ 0.0003545700000000, 0.0018049500000000, 0.0003947000000000 ] - [ 0.0004271200000000, 0.0003850400000000, -0.0000031100000000 ] - [ -0.0007294800000000, -0.0001759500000000, 0.0002561000000000 ] - [ -0.0002567400000000, -0.0014452800000000, 0.0005960800000000 ] - [ 0.0001857900000000, 0.0000158400000000, 0.0001811000000000 ] - [ -0.0016158700000000, 0.0032487500000000, 0.0024441800000000 ] - [ 0.0011435200000000, -0.0033640000000000, 0.0019143100000000 ] - [ 0.0004401300000000, -0.0001238900000000, 0.0000968300000000 ] - [ 0.0006472900000000, -0.0002257300000000, 0.0005744700000000 ] - [ -0.0003919300000000, -0.0000774000000000, 0.0006852500000000 ] - [ -0.0009210800000000, 0.0016735200000000, 0.0002090600000000 ] - [ -0.0004936100000000, 0.0008424700000000, -0.0001435200000000 ] - [ -0.0030119500000000, 0.0020039700000000, -0.0030825300000000 ] - [ -0.0001355200000000, -0.0001034200000000, -0.0006396000000000 ] - [ 0.0023992500000000, -0.0005302900000000, -0.0017587600000000 ] - [ -0.0023024100000000, 0.0001597800000000, -0.0019741100000000 ] - [ 0.0007874700000000, -0.0012905300000000, 0.0012839000000000 ] - [ -0.0000719400000000, 0.0000447100000000, -0.0003554800000000 ] - [ -0.0000668000000000, 0.0006156100000000, 0.0005052000000000 ] - [ 0.0004409900000000, 0.0012773500000000, 0.0009795100000000 ] - [ -0.0003423700000000, 0.0002091800000000, -0.0000063900000000 ] - [ 0.0021461300000000, 0.0027835000000000, -0.0019126400000000 ] - [ 0.0015141100000000, 0.0002361600000000, -0.0076416900000000 ] - [ -0.0001235400000000, -0.0004550800000000, -0.0004201100000000 ] - [ -0.0044895400000000, 0.0011155100000000, 0.0026410800000000 ] - [ 0.0032955400000000, 0.0006371300000000, 0.0028580000000000 ] - [ 0.0014508100000000, 0.0061003900000000, 0.0038399400000000 ] - [ -0.0005174700000000, 0.0003529000000000, 0.0009640400000000 ] - [ 0.0003828600000000, -0.0015381900000000, 0.0020238000000000 ] - [ 0.0003864500000000, -0.0004771600000000, 0.0010826000000000 ] - [ -0.0000056800000000, 0.0011197000000000, -0.0003240000000000 ] - [ -0.0004339600000000, 0.0008204800000000, -0.0005623600000000 ]- atom: 49 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ -0.0036306800000000, 0.0004727400000000, 0.0119133300000000 ] - [ 0.0002383500000000, -0.0003342400000000, -0.0004236300000000 ] - [ -0.0000300500000000, -0.0001828900000000, 0.0004363800000000 ] - [ -0.0003055600000000, -0.0001359300000000, 0.0004974100000000 ] - [ -0.0007381300000000, 0.0003340400000000, 0.0006520500000000 ] - [ 0.0019582600000000, 0.0007918000000000, 0.0008861900000000 ] - [ 0.0008654100000000, 0.0030440900000000, -0.0005860200000000 ] - [ 0.0000848300000000, 0.0003400000000000, -0.0005799800000000 ] - [ 0.0007111900000000, 0.0012403500000000, 0.0000782200000000 ] - [ -0.0004983000000000, 0.0015449800000000, 0.0002420400000000 ] - [ -0.0022416000000000, 0.0011094600000000, 0.0001778800000000 ] - [ 0.0000608900000000, 0.0003140600000000, -0.0000961300000000 ] - [ -0.0001255000000000, -0.0000904200000000, -0.0003435600000000 ] - [ -0.0005013200000000, -0.0000512400000000, -0.0004405300000000 ] - [ -0.0010075000000000, -0.0004701200000000, 0.0002548500000000 ] - [ 0.0009872800000000, -0.0002713200000000, 0.0004582000000000 ] - [ -0.0002912600000000, 0.0002293300000000, 0.0008119500000000 ] - [ 0.0012023200000000, -0.0001320500000000, 0.0024535100000000 ] - [ 0.0000255000000000, -0.0007433200000000, 0.0007581200000000 ] - [ 0.0001229100000000, 0.0002239900000000, -0.0004720300000000 ] - [ 0.0003449100000000, 0.0009956900000000, -0.0005969100000000 ] - [ 0.0000786000000000, -0.0001966400000000, -0.0005407700000000 ] - [ 0.0004301000000000, -0.0002721900000000, -0.0000712500000000 ] - [ -0.0203585500000000, 0.0065056100000000, 0.0103026600000000 ] - [ -0.0000418600000000, -0.0003934600000000, 0.0009191200000000 ] - [ 0.0002163600000000, -0.0005078800000000, 0.0014386600000000 ] - [ 0.0004856400000000, 0.0002351000000000, 0.0025021200000000 ] - [ 0.0000486900000000, -0.0005404700000000, -0.0005375900000000 ] - [ 0.0000917300000000, -0.0006143700000000, 0.0006203400000000 ] - [ 0.0006435500000000, -0.0006680800000000, 0.0006553300000000 ] - [ -0.0004870400000000, 0.0002824600000000, -0.0021500400000000 ] - [ 0.0000037000000000, 0.0005626300000000, -0.0008440900000000 ] - [ -0.0001019900000000, 0.0005632500000000, -0.0010461900000000 ] - [ 0.0097985900000000, -0.0069452500000000, -0.0073862600000000 ] - [ -0.0001300800000000, 0.0010689800000000, -0.0012332600000000 ] - [ -0.0001202100000000, 0.0005288500000000, 0.0005056000000000 ] - [ 0.0000302600000000, -0.0005753000000000, 0.0016978400000000 ] - [ -0.0000595700000000, -0.0005768300000000, 0.0008515300000000 ] - [ 0.0006525200000000, -0.0002302800000000, 0.0001524400000000 ] - [ 0.0000658700000000, 0.0000135300000000, 0.0019363400000000 ] - [ 0.0004703000000000, -0.0008515900000000, 0.0004389800000000 ] - [ 0.0006267400000000, -0.0007966700000000, 0.0003059400000000 ] - [ -0.0010512200000000, -0.0011130700000000, 0.0024437200000000 ] - [ -0.0008292800000000, -0.0006294800000000, 0.0006278800000000 ] - [ -0.0036415100000000, -0.0023905400000000, -0.0081371600000000 ] - [ -0.0004212000000000, 0.0007703900000000, -0.0003847600000000 ] - [ 0.0002376700000000, 0.0013412200000000, -0.0004245100000000 ] - [ 0.0008058400000000, 0.0007798400000000, -0.0003393700000000 ] - [ -0.0046308400000000, -0.0200163000000000, -0.0894800500000000 ] - [ 0.0000320600000000, -0.0002661400000000, 0.0001407300000000 ] - [ -0.0004513400000000, -0.0000926200000000, -0.0005953600000000 ] - [ 0.0002724800000000, -0.0000845900000000, -0.0009008000000000 ] - [ -0.0000379400000000, 0.0001691300000000, -0.0001447600000000 ] - [ -0.0000868000000000, 0.0001639100000000, 0.0002548900000000 ] - [ 0.0003917600000000, 0.0002670400000000, 0.0015390500000000 ] - [ 0.0002142500000000, 0.0002936400000000, 0.0006162400000000 ] - [ 0.0000606400000000, -0.0006950700000000, -0.0003772300000000 ] - [ 0.0006704500000000, -0.0007316400000000, -0.0006615600000000 ] - [ -0.0089362300000000, 0.0033654200000000, -0.0064894800000000 ] - [ -0.0000887600000000, -0.0007707600000000, -0.0001469400000000 ] - [ -0.0003806800000000, 0.0003771200000000, 0.0009072400000000 ] - [ -0.0003080200000000, 0.0006819600000000, 0.0003581300000000 ] - [ 0.0000104000000000, 0.0005084800000000, 0.0010782900000000 ] - [ 0.0002717800000000, 0.0004606800000000, 0.0006768400000000 ] - [ 0.0011536200000000, -0.0002236700000000, 0.0010817600000000 ] - [ 0.0000605700000000, 0.0000811100000000, 0.0008223600000000 ] - [ -0.0016874200000000, 0.0000716600000000, 0.0007588100000000 ] - [ -0.0001431700000000, 0.0006985700000000, -0.0003524200000000 ] - [ 0.0213731000000000, 0.0005269700000000, 0.0125073700000000 ] - [ -0.0009066800000000, -0.0008340100000000, -0.0011495700000000 ] - [ -0.0006916500000000, 0.0001637000000000, 0.0001186800000000 ] - [ 0.0028001100000000, 0.0014185200000000, -0.0073454300000000 ] - [ 0.0006004800000000, -0.0004356800000000, -0.0011904700000000 ] - [ 0.0002060100000000, -0.0004759200000000, -0.0032670400000000 ] - [ -0.0007153700000000, -0.0004700600000000, -0.0014237200000000 ] - [ -0.0006195300000000, -0.0000255600000000, 0.0004564100000000 ] - [ -0.0009214600000000, -0.0003979900000000, 0.0016962100000000 ] - [ -0.0003939300000000, 0.0000786300000000, 0.0007946100000000 ] - [ 0.0006050400000000, 0.0005005800000000, 0.0003015500000000 ] - [ -0.0329164700000000, 0.0073306400000000, 0.0396440700000000 ] - [ -0.0009058700000000, 0.0003902500000000, -0.0021409600000000 ] - [ -0.0008461000000000, -0.0001514800000000, -0.0005289200000000 ] - [ 0.0006330800000000, 0.0002431700000000, -0.0011860000000000 ] - [ 0.0008183500000000, 0.0002783100000000, -0.0008206500000000 ] - [ 0.0011755000000000, -0.0003356300000000, 0.0002933700000000 ] - [ 0.0004622000000000, -0.0000631100000000, 0.0003588300000000 ] - [ 0.0379354500000000, 0.0051416800000000, 0.0450171600000000 ] - [ -0.0007022800000000, 0.0000386000000000, 0.0007702200000000 ] - [ 0.0004385800000000, -0.0000958600000000, -0.0007096300000000 ] - [ 0.0004703900000000, 0.0001134600000000, -0.0001535100000000 ] - [ -0.0001467000000000, 0.0003263400000000, -0.0005379300000000 ] - [ -0.0024312200000000, 0.0001992900000000, -0.0021706700000000 ] - [ -0.0004956700000000, -0.0003420500000000, 0.0004386200000000 ] - [ 0.0001097000000000, -0.0023523500000000, 0.0024660800000000 ] - [ -0.0001833300000000, -0.0027104400000000, 0.0039858800000000 ] - [ 0.0005483900000000, -0.0001252600000000, 0.0001074000000000 ] - [ -0.0025962200000000, -0.0008091600000000, -0.0020241400000000 ] - [ 0.0034375300000000, 0.0007580800000000, -0.0019295800000000 ] - [ -0.0002121200000000, 0.0001465700000000, -0.0010316700000000 ] - [ -0.0006714500000000, 0.0003496300000000, -0.0005116400000000 ] - [ -0.0013268700000000, 0.0021467200000000, 0.0014137300000000 ] - [ -0.0004705000000000, -0.0003127900000000, 0.0001174300000000 ] - [ 0.0011978000000000, -0.0001739800000000, 0.0006551300000000 ] - [ -0.0007609100000000, -0.0001563900000000, -0.0002448400000000 ] - [ 0.0000575800000000, -0.0020287100000000, -0.0075852200000000 ] - [ -0.0000202300000000, 0.0002183500000000, -0.0005080300000000 ] - [ 0.0001753200000000, 0.0001342900000000, 0.0000210300000000 ] - [ -0.0003375400000000, -0.0000305500000000, -0.0005348700000000 ] - [ -0.0000789500000000, -0.0001628100000000, 0.0008840700000000 ] - [ 0.0006625300000000, 0.0010234000000000, 0.0014975100000000 ] - [ 0.0008620200000000, 0.0063191200000000, -0.0018487300000000 ] - [ -0.0000114700000000, -0.0002404600000000, -0.0002814200000000 ] - [ 0.0017033200000000, -0.0003195500000000, -0.0006286200000000 ] - [ -0.0016701100000000, 0.0001870500000000, 0.0000041100000000 ] - [ -0.0008605300000000, -0.0012018600000000, 0.0036621600000000 ] - [ 0.0004687700000000, -0.0003250600000000, 0.0017402900000000 ] - [ 0.0046282700000000, -0.0009142200000000, -0.0036759400000000 ] - [ 0.0000688000000000, 0.0002072700000000, -0.0001215000000000 ] - [ -0.0002924200000000, -0.0001694200000000, -0.0014621100000000 ] - [ -0.0003151500000000, -0.0004169400000000, -0.0014094300000000 ]- atom: 49 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ 0.0040784500000000, -0.0009690100000000, -0.0130980000000000 ] - [ 0.0001609500000000, -0.0001560100000000, -0.0005780100000000 ] - [ -0.0003663800000000, -0.0003081100000000, 0.0005648500000000 ] - [ -0.0000933000000000, -0.0003556800000000, 0.0005027300000000 ] - [ 0.0003429600000000, 0.0001562600000000, 0.0003542100000000 ] - [ -0.0023765200000000, -0.0003026300000000, 0.0001247100000000 ] - [ -0.0004640300000000, -0.0025459800000000, -0.0004229300000000 ] - [ 0.0003125800000000, 0.0001499800000000, -0.0004245400000000 ] - [ -0.0000733200000000, -0.0006366500000000, 0.0005000400000000 ] - [ 0.0011341400000000, -0.0009390600000000, 0.0003416500000000 ] - [ 0.0016224700000000, -0.0005115100000000, -0.0007560200000000 ] - [ -0.0007003900000000, 0.0002907400000000, -0.0004883900000000 ] - [ -0.0005111400000000, -0.0005148400000000, -0.0002462900000000 ] - [ -0.0001379000000000, -0.0005516200000000, -0.0001485300000000 ] - [ 0.0016584600000000, -0.0001338500000000, 0.0003478900000000 ] - [ -0.0003486900000000, -0.0003286300000000, 0.0001392000000000 ] - [ 0.0000548500000000, 0.0002808100000000, 0.0002072900000000 ] - [ -0.0014538100000000, 0.0006428200000000, -0.0014358000000000 ] - [ 0.0002094500000000, 0.0012460200000000, -0.0017762400000000 ] - [ 0.0001144900000000, 0.0002856600000000, -0.0005442800000000 ] - [ -0.0001108400000000, -0.0015187700000000, -0.0004170700000000 ] - [ 0.0001581500000000, -0.0003134900000000, -0.0004718300000000 ] - [ -0.0006644700000000, -0.0002378200000000, 0.0010810800000000 ] - [ 0.0198390400000000, -0.0069151900000000, -0.0091416500000000 ] - [ -0.0000048200000000, -0.0005810600000000, 0.0004976900000000 ] - [ -0.0002684700000000, -0.0004625000000000, -0.0000253600000000 ] - [ -0.0004415400000000, -0.0012209700000000, -0.0039334100000000 ] - [ 0.0000012800000000, -0.0004319500000000, -0.0008776400000000 ] - [ 0.0006725200000000, -0.0007906000000000, 0.0007223100000000 ] - [ 0.0001159200000000, -0.0007373700000000, 0.0006846500000000 ] - [ 0.0005417900000000, 0.0006878000000000, 0.0007444800000000 ] - [ 0.0000461000000000, 0.0004096300000000, -0.0005714000000000 ] - [ 0.0002606500000000, 0.0005394600000000, -0.0003115900000000 ] - [ -0.0095553900000000, 0.0080364800000000, 0.0060953000000000 ] - [ -0.0000341100000000, 0.0000384800000000, 0.0026043900000000 ] - [ -0.0000425100000000, 0.0005754300000000, 0.0008536600000000 ] - [ -0.0001941800000000, -0.0005316900000000, -0.0003396600000000 ] - [ -0.0001029000000000, -0.0005260600000000, 0.0005071600000000 ] - [ -0.0004846000000000, -0.0008716200000000, -0.0015091200000000 ] - [ 0.0000944900000000, -0.0011155100000000, -0.0032968700000000 ] - [ 0.0007075700000000, -0.0005627400000000, -0.0005441700000000 ] - [ 0.0005464500000000, -0.0006188900000000, -0.0004098700000000 ] - [ -0.0001179300000000, -0.0002917700000000, -0.0023472300000000 ] - [ -0.0003484100000000, -0.0007833900000000, -0.0005204800000000 ] - [ 0.0023576100000000, 0.0037565700000000, 0.0082503800000000 ] - [ -0.0007506700000000, 0.0006423400000000, 0.0004860800000000 ] - [ 0.0009349900000000, 0.0000789800000000, 0.0003244000000000 ] - [ 0.0003699000000000, 0.0006431700000000, 0.0002400200000000 ] - [ 0.0046089900000000, 0.0198474300000000, 0.0915306600000000 ] - [ 0.0002871300000000, -0.0000846700000000, 0.0007632300000000 ] - [ 0.0001310700000000, -0.0002575800000000, -0.0003087000000000 ] - [ -0.0005945100000000, -0.0002659900000000, -0.0000025600000000 ] - [ -0.0002763600000000, 0.0001799700000000, -0.0007596700000000 ] - [ -0.0002377400000000, 0.0001835600000000, -0.0011610800000000 ] - [ -0.0000768900000000, 0.0000849800000000, -0.0006354900000000 ] - [ 0.0001047000000000, 0.0000554300000000, 0.0002905500000000 ] - [ 0.0004361500000000, -0.0005892800000000, 0.0001860000000000 ] - [ -0.0001664600000000, -0.0005434700000000, 0.0004662700000000 ] - [ 0.0083498200000000, -0.0046275800000000, 0.0067581500000000 ] - [ -0.0004000100000000, -0.0005025600000000, 0.0003392000000000 ] - [ -0.0001184400000000, 0.0008992400000000, -0.0007181000000000 ] - [ -0.0001955900000000, 0.0005892000000000, -0.0001632700000000 ] - [ 0.0004961800000000, 0.0007608500000000, -0.0012714800000000 ] - [ 0.0002257200000000, 0.0008118800000000, -0.0008685300000000 ] - [ -0.0003879700000000, 0.0016239300000000, 0.0002510600000000 ] - [ 0.0006998900000000, 0.0013220700000000, 0.0005082300000000 ] - [ 0.0009396900000000, 0.0013373800000000, -0.0020948600000000 ] - [ -0.0006159400000000, 0.0007052800000000, -0.0009736600000000 ] - [ -0.0218154200000000, -0.0019427400000000, -0.0136437900000000 ] - [ 0.0001427500000000, -0.0005713600000000, -0.0001924900000000 ] - [ 0.0006335700000000, 0.0008078400000000, 0.0012943000000000 ] - [ -0.0027526000000000, -0.0004267500000000, 0.0088089900000000 ] - [ 0.0004872400000000, 0.0002292600000000, -0.0001029900000000 ] - [ 0.0008888700000000, 0.0002658200000000, 0.0019788000000000 ] - [ -0.0003674100000000, 0.0002749700000000, 0.0027170400000000 ] - [ -0.0004720100000000, -0.0001796500000000, 0.0008364800000000 ] - [ -0.0001655000000000, 0.0006078700000000, -0.0004186400000000 ] - [ -0.0006955700000000, 0.0001279000000000, 0.0004937500000000 ] - [ 0.0004867500000000, -0.0002925200000000, -0.0015851800000000 ] - [ 0.0340129400000000, -0.0071796300000000, -0.0414990800000000 ] - [ -0.0007383200000000, -0.0004113300000000, 0.0020040900000000 ] - [ -0.0007966300000000, 0.0001401600000000, 0.0003797800000000 ] - [ 0.0010046000000000, -0.0002493500000000, 0.0013308500000000 ] - [ 0.0008309000000000, -0.0002859400000000, 0.0009674000000000 ] - [ 0.0004698300000000, 0.0003464300000000, -0.0001603400000000 ] - [ 0.0011876000000000, 0.0000710500000000, -0.0002221300000000 ] - [ -0.0393498200000000, -0.0051482400000000, -0.0457315700000000 ] - [ -0.0009443400000000, -0.0000244100000000, -0.0009038300000000 ] - [ 0.0004640400000000, 0.0004437300000000, 0.0006224500000000 ] - [ 0.0004319200000000, 0.0002323800000000, 0.0000632200000000 ] - [ -0.0007590800000000, 0.0000191300000000, 0.0006282200000000 ] - [ 0.0015474900000000, 0.0001478200000000, 0.0022669700000000 ] - [ -0.0004044700000000, -0.0000020100000000, -0.0003427300000000 ] - [ -0.0010108700000000, 0.0020134500000000, -0.0023563300000000 ] - [ 0.0011125200000000, 0.0021075000000000, -0.0043009900000000 ] - [ 0.0003518700000000, -0.0002222300000000, -0.0002026700000000 ] - [ 0.0036306700000000, 0.0016582300000000, 0.0025052500000000 ] - [ -0.0023895300000000, 0.0000971500000000, 0.0024083200000000 ] - [ -0.0008349400000000, 0.0007086400000000, 0.0005555800000000 ] - [ -0.0003707300000000, 0.0005049200000000, 0.0000332500000000 ] - [ 0.0002798900000000, -0.0030018600000000, -0.0018753700000000 ] - [ -0.0005736700000000, -0.0005428400000000, -0.0005893000000000 ] - [ -0.0001514300000000, -0.0006780800000000, -0.0001985500000000 ] - [ 0.0017942100000000, -0.0006920100000000, 0.0007049800000000 ] - [ -0.0000730000000000, 0.0024944500000000, 0.0068283700000000 ] - [ 0.0000011200000000, 0.0002636600000000, -0.0002161100000000 ] - [ -0.0001592000000000, 0.0003488100000000, 0.0007040500000000 ] - [ 0.0003615100000000, 0.0005139900000000, 0.0012611600000000 ] - [ 0.0000971000000000, -0.0003206000000000, -0.0001533400000000 ] - [ -0.0006362500000000, -0.0015116400000000, -0.0007586100000000 ] - [ -0.0008733500000000, -0.0066919200000000, 0.0009829300000000 ] - [ -0.0000078200000000, -0.0002425800000000, -0.0004470200000000 ] - [ -0.0022651600000000, 0.0002227100000000, -0.0008998300000000 ] - [ 0.0010794100000000, -0.0002874600000000, -0.0015342300000000 ] - [ 0.0014286100000000, 0.0011504400000000, -0.0021453700000000 ] - [ 0.0001101000000000, 0.0002430400000000, -0.0002471300000000 ] - [ -0.0040853200000000, 0.0010085000000000, 0.0051669800000000 ] - [ 0.0005109400000000, -0.0001251000000000, 0.0016024700000000 ] - [ -0.0002918300000000, 0.0002550900000000, -0.0000187200000000 ] - [ -0.0002605700000000, 0.0004996000000000, -0.0000730700000000 ]- atom: 57 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ -0.0001654800000000, 0.0004805400000000, 0.0002501700000000 ] - [ 0.0007319200000000, -0.0003730800000000, -0.0010567400000000 ] - [ -0.0024076900000000, 0.0005496200000000, 0.0045854400000000 ] - [ 0.0013131900000000, -0.0003294600000000, 0.0000099500000000 ] - [ -0.0010169700000000, 0.0013093800000000, 0.0001477100000000 ] - [ 0.0007778500000000, -0.0000359300000000, 0.0005803600000000 ] - [ 0.0016504300000000, 0.0013011200000000, -0.0025514300000000 ] - [ 0.0031210100000000, -0.0001520300000000, 0.0007451700000000 ] - [ -0.0058856800000000, 0.0009792800000000, -0.0028031700000000 ] - [ 0.0018466400000000, 0.0003120700000000, 0.0004367400000000 ] - [ -0.0017251900000000, 0.0006181500000000, -0.0004390500000000 ] - [ 0.0007419700000000, 0.0005812700000000, -0.0003272200000000 ] - [ -0.0015557900000000, -0.0040568900000000, -0.0088001200000000 ] - [ 0.0010598300000000, -0.0001585500000000, 0.0003184500000000 ] - [ -0.0010674200000000, -0.0007377200000000, 0.0000633700000000 ] - [ 0.0012616700000000, -0.0002228500000000, 0.0004285600000000 ] - [ -0.0004509400000000, -0.0003170900000000, -0.0006851100000000 ] - [ 0.0008030500000000, 0.0004125900000000, 0.0010134100000000 ] - [ 0.0007488700000000, -0.0002337700000000, -0.0010240400000000 ] - [ 0.0003569300000000, 0.0005222600000000, 0.0001133300000000 ] - [ 0.0006072400000000, -0.0022740100000000, 0.0019203500000000 ] - [ 0.0030830000000000, 0.0008157200000000, -0.0038627900000000 ] - [ -0.0008482300000000, -0.0013015900000000, 0.0018170700000000 ] - [ 0.0007597900000000, -0.0000291800000000, 0.0001893300000000 ] - [ -0.0009572900000000, -0.0008028600000000, 0.0000738000000000 ] - [ 0.0006993100000000, -0.0006500800000000, 0.0009138300000000 ] - [ -0.0001672300000000, -0.0004421400000000, -0.0010339500000000 ] - [ 0.0002440600000000, -0.0003285900000000, -0.0005469900000000 ] - [ -0.0072043200000000, 0.0054180200000000, -0.0080597900000000 ] - [ 0.0017097300000000, -0.0006920200000000, 0.0010667700000000 ] - [ 0.0188381600000000, -0.0033972900000000, 0.0031060300000000 ] - [ 0.0041716800000000, -0.0014909100000000, 0.0001411700000000 ] - [ 0.0018662100000000, -0.0059931500000000, -0.0008792500000000 ] - [ 0.0014366900000000, 0.0010997700000000, -0.0006138500000000 ] - [ 0.0006266000000000, -0.0019792800000000, 0.0005707300000000 ] - [ 0.0044122100000000, 0.0042958000000000, 0.0021789100000000 ] - [ -0.0001833900000000, -0.0008082500000000, 0.0002279800000000 ] - [ 0.0001750500000000, -0.0002737900000000, 0.0004578500000000 ] - [ -0.0007158600000000, -0.0006535200000000, -0.0012953200000000 ] - [ 0.0007241200000000, -0.0003717100000000, -0.0005711700000000 ] - [ -0.0007781200000000, -0.0011282400000000, -0.0010081300000000 ] - [ 0.0013176500000000, -0.0006265600000000, -0.0000991200000000 ] - [ -0.0010466800000000, -0.0000861200000000, -0.0000196100000000 ] - [ -0.0000946900000000, -0.0008934000000000, -0.0000125400000000 ] - [ 0.0026085400000000, 0.0140932400000000, -0.0008943200000000 ] - [ 0.0003920000000000, 0.0003504700000000, -0.0000252400000000 ] - [ -0.0065686400000000, 0.0016923600000000, 0.0004523500000000 ] - [ 0.0021387100000000, 0.0001996700000000, -0.0001116400000000 ] - [ 0.0018060100000000, 0.0008345200000000, 0.0003001100000000 ] - [ 0.0014985100000000, -0.0007357100000000, 0.0008993400000000 ] - [ 0.0417647200000000, 0.0233565400000000, -0.0082896800000000 ] - [ 0.0051776200000000, -0.0018982400000000, -0.0001873400000000 ] - [ -0.0010971000000000, 0.0003344500000000, -0.0006024000000000 ] - [ 0.0007582000000000, 0.0000986300000000, -0.0004910300000000 ] - [ 0.0005716400000000, 0.0003522300000000, 0.0002218500000000 ] - [ 0.0002753300000000, 0.0000748300000000, 0.0004811000000000 ] - [ -0.1607571600000000, -0.1086952600000000, 0.0944464600000000 ] - [ 0.0023123700000000, -0.0001108100000000, -0.0005198500000000 ] - [ -0.0016957200000000, 0.0018205800000000, 0.0010629300000000 ] - [ 0.0009003300000000, -0.0007621200000000, -0.0002231000000000 ] - [ -0.0006133900000000, 0.0008508600000000, -0.0010631800000000 ] - [ 0.0004105500000000, 0.0007157300000000, 0.0000058000000000 ] - [ -0.0004340500000000, 0.0009092000000000, -0.0001931300000000 ] - [ 0.0009126500000000, 0.0004839900000000, -0.0002712300000000 ] - [ -0.0012177300000000, 0.0007845900000000, 0.0007696600000000 ] - [ 0.0013513500000000, 0.0006757400000000, 0.0007127200000000 ] - [ -0.0017265000000000, 0.0010148600000000, 0.0004564300000000 ] - [ 0.0004877600000000, 0.0005629700000000, -0.0009884500000000 ] - [ -0.0006494100000000, 0.0003657400000000, -0.0018672300000000 ] - [ 0.0003092900000000, -0.0007935700000000, -0.0003539100000000 ] - [ -0.0012435900000000, -0.0004389300000000, 0.0006195400000000 ] - [ 0.0010617900000000, 0.0009115200000000, 0.0010374300000000 ] - [ 0.0010270800000000, -0.0000691300000000, 0.0006670000000000 ] - [ -0.0003645100000000, -0.0000195200000000, -0.0009928000000000 ] - [ -0.0011916600000000, 0.0003526000000000, 0.0014480900000000 ] - [ -0.0002000000000000, -0.0007433000000000, 0.0002040200000000 ] - [ -0.0059193500000000, 0.0107100600000000, -0.0024353600000000 ] - [ -0.0149551100000000, -0.0005671800000000, 0.0039437800000000 ] - [ 0.0005984500000000, 0.0029727500000000, -0.0027935700000000 ] - [ -0.0010933700000000, -0.0004585400000000, -0.0003087300000000 ] - [ -0.0004781500000000, -0.0004648400000000, -0.0002913500000000 ] - [ -0.0015145800000000, 0.0000831000000000, 0.0001729500000000 ] - [ 0.0022824000000000, 0.0000255200000000, 0.0001923800000000 ] - [ -0.0002640300000000, 0.0000705300000000, 0.0000291600000000 ] - [ 0.0656610900000000, 0.0601841600000000, -0.0424126800000000 ] - [ -0.0029130400000000, -0.0002088400000000, -0.0004299200000000 ] - [ -0.0018987200000000, -0.0052159100000000, 0.0021452000000000 ] - [ -0.0021520300000000, 0.0002672700000000, -0.0003253400000000 ] - [ -0.0012573800000000, 0.0004598300000000, 0.0014236700000000 ] - [ -0.0001077400000000, -0.0000446400000000, -0.0008870300000000 ] - [ 0.0001773800000000, 0.0002099100000000, 0.0005841100000000 ] - [ -0.0011991000000000, -0.0000207100000000, -0.0000317800000000 ] - [ 0.0020055400000000, 0.0032573700000000, -0.0058603100000000 ] - [ -0.0034662500000000, -0.0005973700000000, 0.0011919900000000 ] - [ 0.0005641000000000, 0.0004241400000000, -0.0008985500000000 ] - [ -0.0002192400000000, -0.0016399200000000, 0.0008508600000000 ] - [ 0.0023948700000000, -0.0005557400000000, 0.0006806200000000 ] - [ -0.0007351000000000, 0.0004231800000000, 0.0001944800000000 ] - [ 0.0025824000000000, 0.0008856900000000, -0.0001038800000000 ] - [ -0.0022725100000000, 0.0004377100000000, 0.0003170000000000 ] - [ 0.0011629500000000, 0.0015955700000000, -0.0005269300000000 ] - [ -0.0024006200000000, -0.0008093900000000, -0.0009838400000000 ] - [ 0.0087064100000000, 0.0018611500000000, 0.0004641300000000 ] - [ -0.0012016200000000, -0.0004140900000000, 0.0001253900000000 ] - [ -0.0004829100000000, -0.0004134700000000, 0.0004876500000000 ] - [ -0.0001742400000000, 0.0006997000000000, -0.0010429000000000 ] - [ -0.0000626100000000, -0.0006339300000000, 0.0028936600000000 ] - [ -0.0011827200000000, 0.0004515100000000, -0.0002072600000000 ] - [ 0.0014758100000000, -0.0031805200000000, -0.0025593300000000 ] - [ -0.0014592900000000, 0.0001903200000000, 0.0009641800000000 ] - [ -0.0017424700000000, -0.0029581400000000, -0.0033322700000000 ] - [ -0.0015370300000000, 0.0009448600000000, 0.0009987100000000 ] - [ 0.0030023300000000, -0.0017944500000000, -0.0010623300000000 ] - [ -0.0025978300000000, 0.0001355600000000, -0.0009875900000000 ] - [ 0.0442647300000000, 0.0086854100000000, -0.0249975500000000 ] - [ -0.0037953900000000, 0.0002924700000000, -0.0002889900000000 ] - [ 0.0020450600000000, -0.0006835500000000, 0.0011740500000000 ] - [ -0.0011475700000000, 0.0000729500000000, 0.0008762800000000 ] - [ 0.0071922400000000, 0.0009889300000000, 0.0016455200000000 ] - [ -0.0027046000000000, -0.0000926700000000, -0.0009657100000000 ]- atom: 57 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ 0.0005791200000000, -0.0009779900000000, -0.0012619400000000 ] - [ -0.0003354700000000, -0.0001184100000000, 0.0000493500000000 ] - [ 0.0019929500000000, -0.0010278700000000, -0.0035763400000000 ] - [ -0.0017192000000000, -0.0001591100000000, 0.0010016200000000 ] - [ 0.0005913000000000, -0.0008339200000000, 0.0008660400000000 ] - [ -0.0011810300000000, 0.0005286600000000, 0.0004249200000000 ] - [ -0.0012160800000000, -0.0008078600000000, 0.0015450300000000 ] - [ -0.0026987500000000, 0.0006411200000000, -0.0017448700000000 ] - [ 0.0065695500000000, -0.0003644000000000, 0.0033990900000000 ] - [ -0.0012118200000000, 0.0002920700000000, 0.0001502600000000 ] - [ 0.0011072900000000, -0.0000233900000000, -0.0001353600000000 ] - [ -0.0013821800000000, 0.0000268200000000, -0.0002599700000000 ] - [ 0.0009516300000000, 0.0035117800000000, 0.0082835400000000 ] - [ -0.0016971700000000, -0.0004460600000000, -0.0009020900000000 ] - [ 0.0017105900000000, 0.0001420200000000, 0.0005266000000000 ] - [ -0.0006283900000000, -0.0003841900000000, 0.0001552900000000 ] - [ 0.0002013200000000, 0.0008363900000000, 0.0017042500000000 ] - [ -0.0010388500000000, 0.0001001800000000, -0.0000054600000000 ] - [ -0.0005108800000000, 0.0007504600000000, 0.0000151500000000 ] - [ -0.0001279000000000, -0.0000065800000000, -0.0011234000000000 ] - [ -0.0003647500000000, 0.0017809100000000, -0.0029579400000000 ] - [ -0.0028449300000000, -0.0013245500000000, 0.0028234800000000 ] - [ 0.0006097600000000, 0.0007755000000000, -0.0008067700000000 ] - [ -0.0009948500000000, -0.0004880700000000, 0.0008228800000000 ] - [ 0.0009082600000000, -0.0001656100000000, 0.0013564900000000 ] - [ -0.0007460800000000, -0.0003238300000000, 0.0005031500000000 ] - [ 0.0002194800000000, -0.0005313200000000, -0.0003792900000000 ] - [ -0.0001999100000000, -0.0006459100000000, -0.0008693500000000 ] - [ 0.0078324500000000, -0.0069207800000000, 0.0095597400000000 ] - [ -0.0009490700000000, -0.0007131800000000, 0.0002685100000000 ] - [ -0.0191895400000000, 0.0044067500000000, -0.0046204700000000 ] - [ -0.0041155700000000, 0.0024579600000000, -0.0015606800000000 ] - [ -0.0017044200000000, 0.0070535300000000, -0.0004942400000000 ] - [ -0.0012762500000000, -0.0000059900000000, -0.0007462100000000 ] - [ -0.0007873900000000, 0.0031034700000000, 0.0007909700000000 ] - [ -0.0045563300000000, -0.0031701700000000, -0.0008094800000000 ] - [ 0.0000256000000000, -0.0002924900000000, 0.0011357400000000 ] - [ -0.0003512700000000, -0.0008263100000000, 0.0009060000000000 ] - [ 0.0008784100000000, -0.0004474300000000, -0.0000595500000000 ] - [ -0.0005581500000000, -0.0007300600000000, -0.0007888100000000 ] - [ 0.0019594300000000, -0.0002820100000000, 0.0009172800000000 ] - [ -0.0001407300000000, -0.0007851800000000, -0.0000058400000000 ] - [ -0.0001271900000000, -0.0013276100000000, 0.0001282600000000 ] - [ -0.0010865100000000, -0.0005204900000000, 0.0001207300000000 ] - [ -0.0038081200000000, -0.0128644200000000, 0.0009607800000000 ] - [ -0.0015731400000000, 0.0010587100000000, 0.0001307400000000 ] - [ 0.0077157600000000, -0.0004472800000000, -0.0005205700000000 ] - [ -0.0009659000000000, 0.0012196700000000, 0.0000050100000000 ] - [ -0.0014852400000000, -0.0011941400000000, 0.0006110300000000 ] - [ -0.0011881300000000, 0.0003827900000000, 0.0000108000000000 ] - [ -0.0414251700000000, -0.0232171200000000, 0.0072628200000000 ] - [ -0.0055323300000000, 0.0015677600000000, -0.0007257300000000 ] - [ 0.0007722500000000, 0.0000152800000000, -0.0003042200000000 ] - [ -0.0010739400000000, 0.0002525000000000, -0.0004203000000000 ] - [ -0.0002453600000000, -0.0000010400000000, 0.0006941100000000 ] - [ 0.0000333400000000, 0.0002759800000000, 0.0004330300000000 ] - [ 0.1628200400000000, 0.1068669400000000, -0.0960776400000000 ] - [ -0.0018131700000000, -0.0011623100000000, 0.0003271600000000 ] - [ 0.0012127500000000, -0.0031273900000000, -0.0008827100000000 ] - [ -0.0014080100000000, -0.0005078300000000, 0.0004165200000000 ] - [ 0.0001135000000000, 0.0004217700000000, 0.0012644900000000 ] - [ -0.0009187400000000, 0.0005550100000000, 0.0001897700000000 ] - [ 0.0009396000000000, 0.0003597600000000, 0.0000027600000000 ] - [ -0.0004116600000000, 0.0007902100000000, 0.0000799800000000 ] - [ 0.0019832100000000, 0.0006207100000000, 0.0005695100000000 ] - [ -0.0005866800000000, 0.0007315100000000, 0.0006306000000000 ] - [ 0.0009825100000000, 0.0003950300000000, -0.0017974900000000 ] - [ -0.0012568500000000, 0.0008421600000000, -0.0003509900000000 ] - [ -0.0001125100000000, -0.0017809700000000, 0.0005319500000000 ] - [ -0.0010774100000000, -0.0006134300000000, -0.0009882400000000 ] - [ 0.0011793300000000, 0.0013855100000000, 0.0007873200000000 ] - [ -0.0011107300000000, 0.0000609200000000, 0.0003786500000000 ] - [ 0.0000774500000000, -0.0001375100000000, -0.0019695900000000 ] - [ 0.0014523900000000, -0.0001820100000000, -0.0002962600000000 ] - [ 0.0000933600000000, -0.0005566100000000, -0.0001610000000000 ] - [ -0.0008851000000000, 0.0005429200000000, 0.0010825800000000 ] - [ 0.0048465000000000, -0.0106049300000000, 0.0037526100000000 ] - [ 0.0138521300000000, 0.0007769100000000, -0.0026407300000000 ] - [ 0.0005039100000000, -0.0027555400000000, 0.0015110800000000 ] - [ 0.0021841800000000, 0.0006674500000000, -0.0009844900000000 ] - [ -0.0011800600000000, 0.0004540800000000, 0.0001365900000000 ] - [ -0.0001245300000000, -0.0000912500000000, -0.0003195100000000 ] - [ -0.0006367300000000, -0.0000330600000000, -0.0000504900000000 ] - [ 0.0019089200000000, -0.0000814500000000, 0.0001133400000000 ] - [ -0.0642586400000000, -0.0587594300000000, 0.0417600900000000 ] - [ 0.0045743000000000, 0.0002151700000000, 0.0005810800000000 ] - [ 0.0002510200000000, 0.0052562500000000, -0.0022946800000000 ] - [ 0.0005126300000000, -0.0002555500000000, 0.0001815700000000 ] - [ 0.0021553800000000, -0.0001217800000000, -0.0015266600000000 ] - [ 0.0010152200000000, 0.0003830700000000, 0.0007869100000000 ] - [ -0.0010739900000000, 0.0001385300000000, -0.0004973300000000 ] - [ 0.0002949600000000, 0.0003658000000000, 0.0001245400000000 ] - [ -0.0025838500000000, -0.0037298300000000, 0.0061748800000000 ] - [ 0.0025786200000000, 0.0002595100000000, -0.0011111900000000 ] - [ 0.0003243000000000, -0.0007725100000000, 0.0008116700000000 ] - [ 0.0011331000000000, 0.0012917600000000, -0.0009360400000000 ] - [ -0.0013538700000000, 0.0014087800000000, -0.0002089500000000 ] - [ 0.0017797200000000, 0.0004320300000000, 0.0002795700000000 ] - [ -0.0036747900000000, -0.0000271500000000, -0.0003920300000000 ] - [ 0.0012344000000000, 0.0004144200000000, -0.0007908000000000 ] - [ -0.0022317500000000, -0.0024520500000000, 0.0000635200000000 ] - [ 0.0013598000000000, -0.0000462300000000, 0.0005040400000000 ] - [ -0.0076869400000000, -0.0027369600000000, 0.0000535700000000 ] - [ 0.0022486800000000, -0.0004371500000000, 0.0003547000000000 ] - [ 0.0004599200000000, 0.0009035700000000, -0.0012224800000000 ] - [ 0.0001588900000000, -0.0002111300000000, 0.0003098500000000 ] - [ 0.0001209400000000, 0.0011269600000000, -0.0021855600000000 ] - [ 0.0012002900000000, 0.0000306400000000, 0.0009395600000000 ] - [ -0.0014308300000000, 0.0026883700000000, 0.0032914800000000 ] - [ 0.0014788500000000, -0.0006790500000000, -0.0002418400000000 ] - [ 0.0017229400000000, 0.0024973200000000, 0.0026310100000000 ] - [ 0.0015242000000000, -0.0014244000000000, -0.0017184700000000 ] - [ -0.0035879300000000, 0.0017847000000000, -0.0004516800000000 ] - [ 0.0020228300000000, -0.0002213400000000, -0.0004949100000000 ] - [ -0.0454880300000000, -0.0096503800000000, 0.0284665500000000 ] - [ 0.0043721300000000, -0.0003734400000000, 0.0017751600000000 ] - [ -0.0014824700000000, 0.0007765700000000, 0.0003016200000000 ] - [ 0.0017345700000000, 0.0000095600000000, 0.0006108100000000 ] - [ -0.0077809200000000, -0.0009014700000000, -0.0031413600000000 ] - [ 0.0021282400000000, 0.0001746700000000, -0.0005277500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001408500000000, 0.0008262300000000, -0.0000060700000000 ] - [ 0.0002560800000000, 0.0004368800000000, -0.0004907800000000 ] - [ -0.0002188500000000, -0.0027919300000000, 0.0025210600000000 ] - [ 0.0000612400000000, -0.0005497500000000, 0.0004112800000000 ] - [ 0.0011852900000000, 0.0026833600000000, -0.0012072800000000 ] - [ -0.0001087500000000, 0.0004321300000000, 0.0005300500000000 ] - [ 0.0012929200000000, -0.0005773500000000, -0.0012808400000000 ] - [ -0.0015575400000000, -0.0002052700000000, -0.0006683400000000 ] - [ -0.0013128800000000, -0.0001570400000000, -0.0119292800000000 ] - [ 0.0004422500000000, 0.0001014400000000, 0.0002472000000000 ] - [ -0.0018231500000000, 0.0026784300000000, -0.0020984300000000 ] - [ 0.0001459500000000, 0.0006768600000000, -0.0003643600000000 ] - [ -0.0023449700000000, -0.0038676200000000, 0.0028063300000000 ] - [ -0.0000060900000000, -0.0006863500000000, -0.0000841800000000 ] - [ 0.0002255600000000, 0.0038199800000000, 0.0009234800000000 ] - [ 0.0005763600000000, -0.0000936900000000, 0.0003586600000000 ] - [ -0.0017360500000000, -0.0005712700000000, 0.0017743600000000 ] - [ 0.0003839700000000, 0.0002174300000000, 0.0007879300000000 ] - [ -0.0001901400000000, 0.0004293700000000, -0.0003628900000000 ] - [ 0.0006278500000000, 0.0004820000000000, -0.0000062100000000 ] - [ -0.0005741800000000, -0.0010458100000000, -0.0000339100000000 ] - [ 0.0024226300000000, 0.0000891400000000, -0.0019927700000000 ] - [ -0.0008762200000000, 0.0014672300000000, 0.0000288400000000 ] - [ 0.0004242800000000, -0.0001612300000000, 0.0003185400000000 ] - [ -0.0004553900000000, -0.0019086100000000, -0.0002712100000000 ] - [ 0.0002068400000000, -0.0007885800000000, 0.0007738800000000 ] - [ -0.0000861200000000, 0.0000657600000000, -0.0009601700000000 ] - [ 0.0002143500000000, 0.0000610000000000, -0.0006339500000000 ] - [ 0.0044084400000000, 0.0015559800000000, -0.0136850900000000 ] - [ 0.0006744500000000, -0.0008170300000000, 0.0007639200000000 ] - [ 0.0025942300000000, -0.0050898200000000, 0.0014368400000000 ] - [ 0.0023338800000000, -0.0018474400000000, 0.0003063700000000 ] - [ -0.0063347100000000, 0.0070352200000000, -0.0006153500000000 ] - [ 0.0007373800000000, 0.0004686200000000, -0.0006271100000000 ] - [ -0.0012281700000000, 0.0001402400000000, 0.0006504900000000 ] - [ 0.0024350500000000, 0.0022919800000000, 0.0014455900000000 ] - [ -0.0005453000000000, -0.0005306000000000, 0.0001965200000000 ] - [ 0.0004762000000000, -0.0004828000000000, 0.0001595300000000 ] - [ -0.0004778700000000, -0.0002935300000000, -0.0012374800000000 ] - [ 0.0003626900000000, -0.0004481300000000, -0.0007469700000000 ] - [ 0.0003532600000000, -0.0007209900000000, -0.0008009700000000 ] - [ 0.0007886700000000, -0.0007373800000000, -0.0001660500000000 ] - [ -0.0004257000000000, -0.0002331800000000, -0.0002095800000000 ] - [ -0.0005574200000000, -0.0006473600000000, -0.0000965000000000 ] - [ 0.0116317000000000, 0.0215670000000000, -0.0017418600000000 ] - [ -0.0005724300000000, 0.0005169700000000, 0.0001208000000000 ] - [ 0.0042434500000000, 0.0307702000000000, -0.0082696800000000 ] - [ 0.0009887400000000, 0.0007061000000000, -0.0000657000000000 ] - [ 0.0028324300000000, 0.0020902300000000, 0.0004613800000000 ] - [ -0.0010303600000000, 0.0013775500000000, 0.0003391700000000 ] - [ 0.0247281600000000, 0.0035056100000000, -0.0039457200000000 ] - [ 0.0006236800000000, -0.0007695600000000, -0.0003053200000000 ] - [ -0.0001761000000000, 0.0006177300000000, -0.0007190600000000 ] - [ -0.0001371700000000, 0.0003227300000000, -0.0004093500000000 ] - [ 0.0006519900000000, 0.0000509600000000, 0.0005918700000000 ] - [ -0.0002320400000000, -0.0001560200000000, 0.0006224100000000 ] - [ -0.1098430800000000, -0.2365493500000000, 0.1146985900000000 ] - [ 0.0007805500000000, -0.0007520100000000, -0.0000824200000000 ] - [ -0.0027392800000000, 0.0057378900000000, 0.0016340700000000 ] - [ -0.0001243500000000, -0.0001971900000000, 0.0002625700000000 ] - [ -0.0000376500000000, -0.0006673800000000, -0.0004804300000000 ] - [ -0.0001721300000000, 0.0003864900000000, 0.0000329600000000 ] - [ -0.0000211000000000, 0.0016819600000000, -0.0000910100000000 ] - [ 0.0004054400000000, 0.0007582500000000, -0.0001510100000000 ] - [ 0.0000126000000000, 0.0016721700000000, 0.0016141600000000 ] - [ 0.0005989700000000, 0.0008241800000000, 0.0007167800000000 ] - [ 0.0004583000000000, -0.0005651700000000, 0.0011326600000000 ] - [ -0.0003863900000000, 0.0004086600000000, -0.0006647000000000 ] - [ -0.0000027600000000, 0.0016170300000000, -0.0020577300000000 ] - [ -0.0004957000000000, -0.0004978700000000, -0.0006546200000000 ] - [ 0.0017580100000000, 0.0057361500000000, 0.0017009900000000 ] - [ 0.0006589100000000, 0.0010732600000000, 0.0009731800000000 ] - [ 0.0008216100000000, 0.0010307600000000, -0.0010575700000000 ] - [ 0.0000027400000000, 0.0001209600000000, -0.0007299000000000 ] - [ -0.0005240500000000, -0.0005740700000000, 0.0007348200000000 ] - [ -0.0008378800000000, -0.0008485000000000, 0.0006241100000000 ] - [ 0.0001950200000000, 0.0032650300000000, 0.0001784000000000 ] - [ -0.0096699000000000, 0.0001809600000000, 0.0016760800000000 ] - [ 0.0012635000000000, -0.0064270700000000, 0.0008030700000000 ] - [ -0.0012349900000000, -0.0000134700000000, -0.0004810900000000 ] - [ -0.0009630800000000, 0.0003527700000000, -0.0008124200000000 ] - [ -0.0006236900000000, 0.0001475700000000, 0.0000992300000000 ] - [ 0.0012252100000000, -0.0009022200000000, -0.0001607300000000 ] - [ 0.0006823500000000, -0.0000918400000000, 0.0000796700000000 ] - [ 0.0626918000000000, 0.1594421900000000, -0.0810791800000000 ] - [ 0.0002198100000000, 0.0000934500000000, -0.0000937900000000 ] - [ -0.0025901600000000, -0.0100301300000000, 0.0026536900000000 ] - [ -0.0001767500000000, -0.0002020900000000, -0.0001978000000000 ] - [ 0.0005258700000000, 0.0011968800000000, 0.0003066300000000 ] - [ 0.0002186800000000, 0.0010031300000000, 0.0000066800000000 ] - [ -0.0000729000000000, -0.0015526300000000, 0.0003593100000000 ] - [ -0.0006917100000000, -0.0001509100000000, 0.0000178700000000 ] - [ 0.0035481800000000, 0.0072678400000000, 0.0000997200000000 ] - [ -0.0013297300000000, 0.0002028000000000, -0.0000061200000000 ] - [ 0.0012908000000000, -0.0012730700000000, -0.0002824900000000 ] - [ -0.0006633100000000, -0.0017535300000000, -0.0000163700000000 ] - [ 0.0010735100000000, -0.0021882800000000, 0.0015946900000000 ] - [ 0.0002035200000000, 0.0002653200000000, 0.0003567000000000 ] - [ 0.0028081700000000, 0.0008779000000000, 0.0022449000000000 ] - [ -0.0014692400000000, 0.0006499800000000, 0.0001763500000000 ] - [ 0.0025246600000000, -0.0025241100000000, -0.0030426900000000 ] - [ -0.0014192300000000, -0.0008003000000000, -0.0006506900000000 ] - [ 0.0019526800000000, 0.0066605600000000, -0.0004443300000000 ] - [ 0.0000541200000000, -0.0002560500000000, 0.0001737000000000 ] - [ -0.0007265700000000, -0.0002505600000000, 0.0003879100000000 ] - [ 0.0005158000000000, -0.0000998300000000, 0.0000138400000000 ] - [ -0.0021086500000000, -0.0001943000000000, 0.0033120300000000 ] - [ 0.0000319500000000, 0.0003680500000000, 0.0004140800000000 ] - [ -0.0024246400000000, -0.0022955300000000, -0.0035356300000000 ] - [ 0.0000502300000000, -0.0003578400000000, 0.0003432900000000 ] - [ -0.0025354200000000, -0.0002866600000000, -0.0022376600000000 ] - [ 0.0013487700000000, 0.0006922600000000, -0.0008476200000000 ] - [ 0.0012249700000000, -0.0133341200000000, 0.0053015400000000 ] - [ -0.0009570400000000, -0.0004443500000000, -0.0010796300000000 ] - [ 0.0093831900000000, 0.0163105400000000, -0.0074239400000000 ] - [ -0.0002019000000000, 0.0009942700000000, -0.0005467100000000 ] - [ 0.0003612800000000, -0.0026836100000000, 0.0009583800000000 ] - [ -0.0000774900000000, -0.0004160300000000, 0.0008027900000000 ] - [ 0.0005800200000000, 0.0064550100000000, 0.0006033300000000 ] - [ -0.0008136200000000, 0.0003998300000000, -0.0007245000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002514400000000, -0.0013119700000000, -0.0009996500000000 ] - [ 0.0001490500000000, -0.0009272600000000, -0.0005164400000000 ] - [ -0.0001967500000000, 0.0022821800000000, -0.0015231600000000 ] - [ -0.0004567500000000, 0.0000561000000000, 0.0005919600000000 ] - [ -0.0015649000000000, -0.0021916700000000, 0.0021892200000000 ] - [ -0.0002916900000000, 0.0000565800000000, 0.0004740200000000 ] - [ -0.0008745600000000, 0.0010861500000000, 0.0002636400000000 ] - [ 0.0019461400000000, 0.0006961800000000, -0.0003376700000000 ] - [ 0.0019612200000000, 0.0008066600000000, 0.0125505000000000 ] - [ 0.0001971600000000, 0.0005016600000000, 0.0003385600000000 ] - [ 0.0011669800000000, -0.0020724400000000, 0.0014864000000000 ] - [ -0.0007811400000000, -0.0000749400000000, -0.0002228400000000 ] - [ 0.0017106100000000, 0.0032133600000000, -0.0034401200000000 ] - [ -0.0006305800000000, 0.0000809000000000, -0.0005021800000000 ] - [ 0.0004106300000000, -0.0044196200000000, -0.0003407200000000 ] - [ 0.0000636900000000, -0.0005076600000000, 0.0002288000000000 ] - [ 0.0015087500000000, 0.0010853600000000, -0.0007669000000000 ] - [ -0.0006203400000000, 0.0002947500000000, 0.0002276400000000 ] - [ 0.0004277300000000, 0.0000738300000000, -0.0006501500000000 ] - [ -0.0003887200000000, 0.0000260200000000, -0.0010040300000000 ] - [ 0.0008088500000000, 0.0005210500000000, -0.0009717200000000 ] - [ -0.0021814500000000, -0.0006000200000000, 0.0009755200000000 ] - [ 0.0006392600000000, -0.0019670100000000, 0.0009955900000000 ] - [ -0.0006618600000000, -0.0003455600000000, 0.0006960600000000 ] - [ 0.0004032600000000, 0.0009391400000000, 0.0016808800000000 ] - [ -0.0002548200000000, -0.0001837700000000, 0.0006409800000000 ] - [ 0.0001316700000000, -0.0010389600000000, -0.0004601200000000 ] - [ -0.0001639100000000, -0.0010321400000000, -0.0007827900000000 ] - [ -0.0036322900000000, -0.0030375800000000, 0.0149541600000000 ] - [ 0.0000905200000000, -0.0005879900000000, 0.0005748300000000 ] - [ -0.0024336300000000, 0.0060368700000000, -0.0028273000000000 ] - [ -0.0022758400000000, 0.0028115900000000, -0.0017163400000000 ] - [ 0.0065553500000000, -0.0059528200000000, -0.0007550300000000 ] - [ -0.0005747100000000, 0.0006432200000000, -0.0007327700000000 ] - [ 0.0010565200000000, 0.0009437800000000, 0.0007104900000000 ] - [ -0.0025938400000000, -0.0011879100000000, -0.0000847300000000 ] - [ 0.0003818600000000, -0.0005777300000000, 0.0011593700000000 ] - [ -0.0006385600000000, -0.0006239100000000, 0.0011990800000000 ] - [ 0.0006390600000000, -0.0008080300000000, -0.0001281100000000 ] - [ -0.0001989600000000, -0.0006539800000000, -0.0006130400000000 ] - [ 0.0008175600000000, -0.0007052200000000, 0.0006877300000000 ] - [ 0.0003874200000000, -0.0006805300000000, 0.0000613700000000 ] - [ -0.0007512300000000, -0.0011753900000000, 0.0003102100000000 ] - [ -0.0006176000000000, -0.0007671700000000, 0.0002004000000000 ] - [ -0.0130262800000000, -0.0204341900000000, 0.0018246500000000 ] - [ -0.0006001500000000, 0.0009024800000000, -0.0000146900000000 ] - [ -0.0029923600000000, -0.0287910700000000, 0.0080410300000000 ] - [ 0.0001911100000000, 0.0007048700000000, -0.0000376700000000 ] - [ -0.0025447600000000, -0.0024455700000000, 0.0004522900000000 ] - [ 0.0013617600000000, -0.0017254900000000, 0.0005759000000000 ] - [ -0.0248858200000000, -0.0039183900000000, 0.0030154800000000 ] - [ -0.0009163200000000, 0.0004076500000000, -0.0006038500000000 ] - [ -0.0001426100000000, -0.0002720700000000, -0.0001939100000000 ] - [ -0.0001800900000000, 0.0000245400000000, -0.0005022800000000 ] - [ -0.0003331200000000, 0.0003001100000000, 0.0003170800000000 ] - [ 0.0005503800000000, 0.0005053200000000, 0.0002852100000000 ] - [ 0.1057826000000000, 0.2284347100000000, -0.1090838500000000 ] - [ -0.0002731500000000, -0.0005202800000000, -0.0001112100000000 ] - [ 0.0022129700000000, -0.0069976100000000, -0.0014271100000000 ] - [ -0.0003748800000000, -0.0010770800000000, -0.0000688200000000 ] - [ -0.0004636700000000, 0.0019470500000000, 0.0006620500000000 ] - [ -0.0003298000000000, 0.0008878700000000, 0.0001583400000000 ] - [ 0.0005242200000000, -0.0004091000000000, -0.0001076100000000 ] - [ 0.0000965600000000, 0.0005171300000000, -0.0000421200000000 ] - [ 0.0007457100000000, -0.0002713400000000, -0.0002708500000000 ] - [ 0.0001638400000000, 0.0005789500000000, 0.0006197800000000 ] - [ -0.0012262800000000, 0.0019779400000000, -0.0024660000000000 ] - [ -0.0003724600000000, 0.0009967000000000, -0.0006687200000000 ] - [ -0.0007609500000000, -0.0030186200000000, 0.0007374200000000 ] - [ -0.0002642500000000, -0.0009055200000000, -0.0006806400000000 ] - [ -0.0017836200000000, -0.0047347700000000, -0.0002693500000000 ] - [ -0.0007111100000000, -0.0001016000000000, 0.0004429500000000 ] - [ 0.0002701500000000, -0.0012410200000000, -0.0002202800000000 ] - [ 0.0010847900000000, -0.0003263700000000, -0.0005610900000000 ] - [ -0.0005664300000000, 0.0003764700000000, 0.0005597900000000 ] - [ -0.0002536000000000, 0.0006458500000000, 0.0006671900000000 ] - [ -0.0012996000000000, -0.0029823000000000, 0.0010969000000000 ] - [ 0.0085846500000000, 0.0000212100000000, -0.0003905900000000 ] - [ -0.0001839900000000, 0.0066173500000000, -0.0021085300000000 ] - [ 0.0023367200000000, 0.0002106000000000, -0.0008121500000000 ] - [ -0.0006807400000000, -0.0003719200000000, 0.0006750600000000 ] - [ -0.0010223600000000, -0.0001603200000000, -0.0002419600000000 ] - [ 0.0004221300000000, 0.0009051400000000, 0.0003032600000000 ] - [ 0.0009600300000000, 0.0000842500000000, 0.0000638200000000 ] - [ -0.0566730200000000, -0.1524077500000000, 0.0757927900000000 ] - [ 0.0014104600000000, -0.0000835600000000, 0.0002325000000000 ] - [ 0.0009520300000000, 0.0100239200000000, -0.0028173900000000 ] - [ -0.0014748300000000, 0.0002089300000000, 0.0000519500000000 ] - [ 0.0003607100000000, -0.0008512300000000, -0.0003893800000000 ] - [ 0.0006882700000000, -0.0006559700000000, -0.0000953400000000 ] - [ -0.0008328500000000, 0.0018937800000000, -0.0002575000000000 ] - [ -0.0002091000000000, 0.0004955200000000, 0.0000766600000000 ] - [ -0.0043590400000000, -0.0076438000000000, 0.0000387500000000 ] - [ 0.0004151200000000, -0.0005531200000000, 0.0001035700000000 ] - [ -0.0003756300000000, 0.0009336200000000, 0.0001917400000000 ] - [ 0.0015541700000000, 0.0014078800000000, -0.0000762400000000 ] - [ -0.0000300800000000, 0.0030247300000000, -0.0011167900000000 ] - [ 0.0008371300000000, 0.0005871300000000, 0.0001201500000000 ] - [ -0.0038458000000000, -0.0000131200000000, -0.0027125800000000 ] - [ 0.0004224600000000, 0.0002046900000000, -0.0006519800000000 ] - [ -0.0035419200000000, 0.0016858900000000, 0.0025286600000000 ] - [ 0.0003726300000000, -0.0000518300000000, 0.0001728200000000 ] - [ -0.0008595400000000, -0.0077968200000000, 0.0005584000000000 ] - [ 0.0009849000000000, -0.0005998800000000, 0.0003023000000000 ] - [ 0.0007089100000000, 0.0007256900000000, -0.0011135600000000 ] - [ -0.0005355200000000, 0.0005788300000000, -0.0007390800000000 ] - [ 0.0021307600000000, 0.0006839200000000, -0.0025785900000000 ] - [ -0.0000167200000000, 0.0001170200000000, 0.0003104800000000 ] - [ 0.0024191900000000, 0.0018177300000000, 0.0042300900000000 ] - [ -0.0000334400000000, -0.0001209200000000, 0.0003836000000000 ] - [ 0.0025212100000000, -0.0002207600000000, 0.0015070600000000 ] - [ -0.0013720700000000, -0.0011781600000000, 0.0001222400000000 ] - [ -0.0018062100000000, 0.0131835200000000, -0.0067252900000000 ] - [ 0.0003741800000000, 0.0003641100000000, -0.0004073500000000 ] - [ -0.0089608700000000, -0.0163191800000000, 0.0090610400000000 ] - [ 0.0007789900000000, -0.0010771500000000, 0.0020254200000000 ] - [ 0.0002260600000000, 0.0027556700000000, 0.0005436900000000 ] - [ 0.0006513000000000, 0.0004984700000000, 0.0006857100000000 ] - [ -0.0011314900000000, -0.0063671600000000, -0.0020362700000000 ] - [ 0.0002298500000000, -0.0003163100000000, -0.0007588000000000 ]- atom: 57 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0008711500000000, -0.0003999700000000, -0.0006266700000000 ] - [ -0.0003985500000000, -0.0002406900000000, -0.0002402400000000 ] - [ 0.0039322700000000, 0.0023769300000000, 0.0026371500000000 ] - [ -0.0009706700000000, -0.0000818100000000, 0.0005306700000000 ] - [ -0.0009562000000000, -0.0017388100000000, 0.0004818000000000 ] - [ -0.0002344200000000, 0.0002352300000000, 0.0004768900000000 ] - [ -0.0022220700000000, -0.0006254000000000, -0.0001554500000000 ] - [ 0.0025342800000000, 0.0001378700000000, -0.0002984100000000 ] - [ 0.0016490100000000, -0.0064662800000000, 0.0161005800000000 ] - [ 0.0002522500000000, 0.0002734300000000, 0.0003489500000000 ] - [ 0.0010031800000000, -0.0008520900000000, 0.0000488400000000 ] - [ -0.0007759600000000, 0.0001663900000000, -0.0002219400000000 ] - [ -0.0049329700000000, 0.0058009000000000, 0.0096533300000000 ] - [ -0.0003935500000000, 0.0000189200000000, -0.0005343300000000 ] - [ 0.0012069800000000, 0.0025410000000000, 0.0010968200000000 ] - [ 0.0000496500000000, -0.0003890200000000, 0.0002344600000000 ] - [ -0.0021013100000000, 0.0010029100000000, 0.0030730700000000 ] - [ -0.0001161400000000, 0.0001951800000000, 0.0005994200000000 ] - [ -0.0007115100000000, 0.0009642900000000, 0.0000411500000000 ] - [ 0.0003890100000000, 0.0005294500000000, -0.0004354500000000 ] - [ 0.0012442000000000, 0.0001610000000000, -0.0016595700000000 ] - [ -0.0016165700000000, -0.0004415400000000, -0.0003913500000000 ] - [ 0.0008115800000000, -0.0014320300000000, -0.0007325100000000 ] - [ -0.0005393100000000, -0.0004517000000000, 0.0004109700000000 ] - [ 0.0009843600000000, -0.0002157100000000, 0.0042178400000000 ] - [ -0.0001237600000000, -0.0005349200000000, 0.0009412600000000 ] - [ 0.0002735400000000, -0.0004497100000000, -0.0000357400000000 ] - [ 0.0000166800000000, -0.0006218500000000, -0.0004123800000000 ] - [ -0.0087999400000000, -0.0214897600000000, 0.0277643500000000 ] - [ 0.0000916100000000, -0.0006477000000000, 0.0005011800000000 ] - [ -0.0018322400000000, 0.0027352900000000, -0.0064639100000000 ] - [ -0.0014940500000000, 0.0017696400000000, -0.0017909200000000 ] - [ -0.0011723700000000, 0.0016905600000000, -0.0041816800000000 ] - [ -0.0001602600000000, 0.0004917800000000, -0.0010083900000000 ] - [ -0.0002641500000000, 0.0010134400000000, -0.0002701100000000 ] - [ -0.0019850900000000, -0.0009326000000000, -0.0003628800000000 ] - [ 0.0004654800000000, -0.0005411800000000, 0.0021090400000000 ] - [ -0.0007933100000000, -0.0006597000000000, 0.0017953000000000 ] - [ 0.0009103100000000, -0.0007127200000000, 0.0012618200000000 ] - [ -0.0000835200000000, -0.0005933800000000, -0.0004344500000000 ] - [ 0.0012174000000000, 0.0001314800000000, 0.0030569700000000 ] - [ 0.0003763800000000, -0.0006370200000000, 0.0001743700000000 ] - [ -0.0008374000000000, -0.0009903800000000, 0.0019782300000000 ] - [ -0.0007003700000000, -0.0007467500000000, 0.0003398900000000 ] - [ -0.0019097300000000, -0.0044706900000000, -0.0041808500000000 ] - [ -0.0007931100000000, 0.0006163700000000, -0.0003031000000000 ] - [ 0.0008847900000000, -0.0020295000000000, -0.0068795100000000 ] - [ 0.0001955000000000, 0.0008311700000000, -0.0001923500000000 ] - [ -0.0005657000000000, -0.0006830200000000, 0.0001491400000000 ] - [ -0.0002181700000000, -0.0002205200000000, -0.0001395300000000 ] - [ -0.0123973900000000, -0.0061039500000000, -0.0070643500000000 ] - [ -0.0009678200000000, 0.0002131900000000, -0.0007038800000000 ] - [ 0.0002162700000000, 0.0000938900000000, 0.0003809000000000 ] - [ -0.0004236400000000, 0.0001870400000000, -0.0001856000000000 ] - [ 0.0003795300000000, -0.0001380700000000, 0.0016262400000000 ] - [ -0.0000690100000000, 0.0000745500000000, 0.0012098300000000 ] - [ 0.0989592300000000, 0.1125749400000000, -0.1564003000000000 ] - [ -0.0002135300000000, -0.0006327700000000, -0.0002406300000000 ] - [ 0.0007569400000000, -0.0022282300000000, -0.0011833000000000 ] - [ -0.0005973400000000, -0.0008003800000000, -0.0000389000000000 ] - [ -0.0014136000000000, 0.0000605400000000, 0.0043782900000000 ] - [ -0.0003576100000000, 0.0005727400000000, 0.0004905300000000 ] - [ 0.0001686500000000, 0.0006218100000000, 0.0011589500000000 ] - [ 0.0000630000000000, 0.0006934000000000, 0.0000911800000000 ] - [ 0.0009933600000000, 0.0010028300000000, 0.0010372700000000 ] - [ 0.0000874200000000, 0.0007239500000000, 0.0006996300000000 ] - [ 0.0024784000000000, 0.0016433100000000, 0.0027886900000000 ] - [ -0.0007518900000000, 0.0007540900000000, -0.0003799800000000 ] - [ -0.0008006800000000, -0.0015180200000000, -0.0010191300000000 ] - [ -0.0004079800000000, -0.0008677700000000, -0.0009158900000000 ] - [ -0.0003433300000000, -0.0002536800000000, -0.0004000900000000 ] - [ -0.0003922100000000, 0.0002824700000000, 0.0004126900000000 ] - [ 0.0004157100000000, 0.0001753000000000, -0.0044712200000000 ] - [ 0.0005174400000000, -0.0000610200000000, -0.0010359200000000 ] - [ -0.0002774100000000, -0.0003753200000000, -0.0006942200000000 ] - [ -0.0006822600000000, 0.0001564200000000, -0.0001875300000000 ] - [ -0.0005638100000000, -0.0022834700000000, 0.0024910200000000 ] - [ 0.0052949400000000, -0.0003543700000000, 0.0000489800000000 ] - [ 0.0005347800000000, 0.0005103900000000, 0.0020040800000000 ] - [ 0.0011704000000000, 0.0002949000000000, -0.0002805500000000 ] - [ -0.0007305800000000, 0.0008026000000000, -0.0048573600000000 ] - [ -0.0005400300000000, 0.0000876000000000, -0.0006450400000000 ] - [ 0.0001573000000000, -0.0005719000000000, -0.0013838200000000 ] - [ 0.0011302900000000, -0.0001066300000000, -0.0001139400000000 ] - [ -0.0383752000000000, -0.0730673800000000, 0.0830455400000000 ] - [ 0.0015332800000000, -0.0001033500000000, 0.0004334300000000 ] - [ -0.0000820000000000, 0.0031184700000000, -0.0002320300000000 ] - [ -0.0005258400000000, 0.0002899600000000, 0.0004193800000000 ] - [ 0.0030487200000000, 0.0001445900000000, -0.0019012000000000 ] - [ -0.0007070500000000, -0.0001887800000000, -0.0010080700000000 ] - [ -0.0001450700000000, 0.0003116200000000, -0.0012000400000000 ] - [ -0.0004552600000000, 0.0002162400000000, -0.0001736600000000 ] - [ -0.0048819000000000, 0.0000257900000000, 0.0068745000000000 ] - [ 0.0005187300000000, -0.0001902100000000, 0.0003957000000000 ] - [ -0.0001313400000000, -0.0000049100000000, 0.0006574600000000 ] - [ 0.0013237800000000, 0.0006293900000000, 0.0000600500000000 ] - [ 0.0000567500000000, 0.0040429700000000, -0.0013917900000000 ] - [ 0.0008066600000000, 0.0005619600000000, 0.0000759400000000 ] - [ -0.0061657000000000, 0.0021113700000000, -0.0050174400000000 ] - [ 0.0003025600000000, 0.0003238500000000, -0.0006845200000000 ] - [ -0.0010570200000000, -0.0031746400000000, 0.0020216600000000 ] - [ 0.0000392800000000, -0.0003621400000000, 0.0003111800000000 ] - [ -0.0006324400000000, -0.0042062100000000, 0.0077380200000000 ] - [ 0.0009015300000000, -0.0004448500000000, 0.0004193200000000 ] - [ 0.0005951500000000, 0.0008842100000000, -0.0012991200000000 ] - [ -0.0004084300000000, 0.0006487300000000, -0.0008631300000000 ] - [ 0.0043512400000000, 0.0020916100000000, -0.0042210700000000 ] - [ -0.0000254400000000, 0.0002151100000000, 0.0000969100000000 ] - [ -0.0007920600000000, -0.0011165800000000, 0.0032952800000000 ] - [ 0.0005400200000000, -0.0003953100000000, 0.0006148100000000 ] - [ -0.0008647300000000, -0.0004704800000000, 0.0012377900000000 ] - [ 0.0011248000000000, -0.0008445000000000, -0.0000472200000000 ] - [ -0.0016587300000000, 0.0029794400000000, 0.0009092700000000 ] - [ 0.0003269100000000, 0.0000249900000000, -0.0003869900000000 ] - [ -0.0281537300000000, -0.0083231800000000, 0.0374494400000000 ] - [ 0.0004168800000000, -0.0005635200000000, 0.0023143200000000 ] - [ -0.0010177100000000, 0.0005547800000000, -0.0016282900000000 ] - [ 0.0008885000000000, 0.0001260000000000, 0.0002639500000000 ] - [ -0.0040391800000000, -0.0044183900000000, -0.0120708100000000 ] - [ 0.0002932700000000, -0.0000438500000000, -0.0011969600000000 ]- atom: 57 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0004863200000000, -0.0000946600000000, -0.0003661100000000 ] - [ 0.0007899500000000, -0.0002532300000000, -0.0007535300000000 ] - [ -0.0042837600000000, -0.0028445600000000, -0.0016338200000000 ] - [ 0.0005764600000000, -0.0004094400000000, 0.0004640000000000 ] - [ 0.0005634800000000, 0.0022293500000000, 0.0005373700000000 ] - [ -0.0001561600000000, 0.0002551700000000, 0.0005237500000000 ] - [ 0.0026295300000000, 0.0011234500000000, -0.0008664700000000 ] - [ -0.0021363500000000, 0.0003540800000000, -0.0007007200000000 ] - [ -0.0009676700000000, 0.0069158000000000, -0.0152346500000000 ] - [ 0.0003900900000000, 0.0003236200000000, 0.0002366200000000 ] - [ -0.0016423700000000, 0.0014482800000000, -0.0006184400000000 ] - [ 0.0001327000000000, 0.0004294200000000, -0.0003623300000000 ] - [ 0.0042141200000000, -0.0062865100000000, -0.0101240700000000 ] - [ -0.0002484900000000, -0.0006160100000000, -0.0000573400000000 ] - [ -0.0005667600000000, -0.0031737200000000, -0.0005083000000000 ] - [ 0.0005927200000000, -0.0002087900000000, 0.0003553300000000 ] - [ 0.0018763100000000, -0.0005066800000000, -0.0020602000000000 ] - [ -0.0001270700000000, 0.0003036400000000, 0.0004177200000000 ] - [ 0.0009473600000000, -0.0004606400000000, -0.0010568100000000 ] - [ -0.0001480200000000, -0.0000294300000000, -0.0005839500000000 ] - [ -0.0010069000000000, -0.0006605800000000, 0.0006559100000000 ] - [ 0.0018408000000000, -0.0000623500000000, -0.0005901400000000 ] - [ -0.0010467500000000, 0.0009265200000000, 0.0017347900000000 ] - [ 0.0002975400000000, -0.0000482300000000, 0.0005977800000000 ] - [ -0.0010213000000000, -0.0007619100000000, -0.0027966300000000 ] - [ 0.0000737800000000, -0.0004438900000000, 0.0004744800000000 ] - [ -0.0002282300000000, -0.0005299100000000, -0.0013789100000000 ] - [ 0.0000332000000000, -0.0003555300000000, -0.0010023900000000 ] - [ 0.0097085600000000, 0.0204480100000000, -0.0268969500000000 ] - [ 0.0006633400000000, -0.0007514400000000, 0.0008347600000000 ] - [ 0.0019408300000000, -0.0017536300000000, 0.0050325000000000 ] - [ 0.0015191900000000, -0.0007774500000000, 0.0003681900000000 ] - [ 0.0013197900000000, -0.0005574700000000, 0.0028318200000000 ] - [ 0.0003207100000000, 0.0006163200000000, -0.0003479200000000 ] - [ 0.0001082100000000, 0.0000847500000000, 0.0016250500000000 ] - [ 0.0018026700000000, 0.0020222600000000, 0.0017113100000000 ] - [ -0.0006316800000000, -0.0005595600000000, -0.0007516800000000 ] - [ 0.0006396700000000, -0.0004439600000000, -0.0004382500000000 ] - [ -0.0007424300000000, -0.0004005500000000, -0.0026162500000000 ] - [ 0.0002404000000000, -0.0005152100000000, -0.0009231400000000 ] - [ -0.0000404300000000, -0.0015289500000000, -0.0031586100000000 ] - [ 0.0007950300000000, -0.0007708500000000, -0.0002738800000000 ] - [ -0.0003394100000000, -0.0004255800000000, -0.0018750300000000 ] - [ -0.0004720000000000, -0.0006605600000000, -0.0002367900000000 ] - [ 0.0007467800000000, 0.0058729100000000, 0.0042235800000000 ] - [ -0.0003810500000000, 0.0007927700000000, 0.0004042300000000 ] - [ 0.0002697400000000, 0.0032513200000000, 0.0068725700000000 ] - [ 0.0009773400000000, 0.0005745800000000, 0.0000935300000000 ] - [ 0.0008874400000000, 0.0003322600000000, 0.0007433200000000 ] - [ 0.0005298200000000, -0.0001296700000000, 0.0010294200000000 ] - [ 0.0118149000000000, 0.0056694100000000, 0.0063180400000000 ] - [ 0.0006652000000000, -0.0005700000000000, -0.0001873800000000 ] - [ -0.0005283400000000, 0.0002578700000000, -0.0012744500000000 ] - [ 0.0001006900000000, 0.0001631000000000, -0.0007070100000000 ] - [ -0.0000737000000000, 0.0004850700000000, -0.0007339700000000 ] - [ 0.0003971600000000, 0.0002736500000000, -0.0003155300000000 ] - [ -0.0983022500000000, -0.1155966900000000, 0.1559855600000000 ] - [ 0.0007158400000000, -0.0006394200000000, 0.0000442000000000 ] - [ -0.0012472200000000, 0.0009350900000000, 0.0013742000000000 ] - [ 0.0000920400000000, -0.0004742000000000, 0.0002359400000000 ] - [ 0.0009007800000000, 0.0012113000000000, -0.0041747000000000 ] - [ -0.0001444600000000, 0.0007011400000000, -0.0002934300000000 ] - [ 0.0003350500000000, 0.0006493500000000, -0.0013530600000000 ] - [ 0.0004391600000000, 0.0005794300000000, -0.0002864100000000 ] - [ -0.0002348800000000, 0.0003979200000000, 0.0002802000000000 ] - [ 0.0006654200000000, 0.0006749800000000, 0.0006284500000000 ] - [ -0.0032493800000000, -0.0002480100000000, -0.0041226700000000 ] - [ -0.0000016300000000, 0.0006470200000000, -0.0009408400000000 ] - [ 0.0000430200000000, 0.0001137200000000, -0.0003191600000000 ] - [ -0.0003467100000000, -0.0005324800000000, -0.0004177600000000 ] - [ 0.0002859600000000, 0.0012123600000000, 0.0018105400000000 ] - [ 0.0003452900000000, 0.0006968200000000, 0.0010027400000000 ] - [ 0.0006554000000000, -0.0003792800000000, 0.0031839700000000 ] - [ 0.0005762600000000, -0.0001456200000000, -0.0002549000000000 ] - [ -0.0008010100000000, 0.0001611700000000, 0.0019829100000000 ] - [ -0.0004080000000000, -0.0003682800000000, 0.0014806200000000 ] - [ -0.0005356600000000, 0.0025327400000000, -0.0012202500000000 ] - [ -0.0062880200000000, 0.0005677400000000, 0.0012236500000000 ] - [ 0.0005517700000000, -0.0002937800000000, -0.0032702000000000 ] - [ -0.0000864200000000, -0.0000847400000000, -0.0010028300000000 ] - [ -0.0008951700000000, -0.0008056900000000, 0.0047255300000000 ] - [ -0.0011057500000000, -0.0001007000000000, 0.0005029000000000 ] - [ 0.0014743500000000, 0.0005496500000000, 0.0015259000000000 ] - [ 0.0005108800000000, 0.0000972900000000, 0.0002516300000000 ] - [ 0.0413863600000000, 0.0758658400000000, -0.0835683700000000 ] - [ 0.0001009000000000, 0.0001131100000000, -0.0003033000000000 ] - [ -0.0015580000000000, -0.0030974800000000, 0.0001091300000000 ] - [ -0.0011097900000000, -0.0002772600000000, -0.0005492100000000 ] - [ -0.0021307800000000, 0.0002019400000000, 0.0018091900000000 ] - [ 0.0016001100000000, 0.0005335800000000, 0.0009191200000000 ] - [ -0.0007619100000000, 0.0000438900000000, 0.0012879000000000 ] - [ -0.0004438800000000, 0.0001314200000000, 0.0002653400000000 ] - [ 0.0041107900000000, -0.0004595800000000, -0.0066377800000000 ] - [ -0.0014222200000000, -0.0001584700000000, -0.0002940100000000 ] - [ 0.0010300500000000, -0.0003381700000000, -0.0007557100000000 ] - [ -0.0004175500000000, -0.0009676000000000, -0.0001591500000000 ] - [ 0.0009848200000000, -0.0031656700000000, 0.0018695900000000 ] - [ 0.0002368300000000, 0.0002931000000000, 0.0004026500000000 ] - [ 0.0051478200000000, -0.0012716500000000, 0.0045423700000000 ] - [ -0.0013425600000000, 0.0005304400000000, 0.0002026900000000 ] - [ 0.0000027900000000, 0.0023126600000000, -0.0024653600000000 ] - [ -0.0010768500000000, -0.0004908600000000, -0.0007797400000000 ] - [ 0.0017382200000000, 0.0029912300000000, -0.0076515000000000 ] - [ 0.0001419700000000, -0.0004117500000000, 0.0000549500000000 ] - [ -0.0006076600000000, -0.0003976700000000, 0.0005751900000000 ] - [ 0.0003846400000000, -0.0001635400000000, 0.0001399100000000 ] - [ -0.0043563000000000, -0.0016205100000000, 0.0049381900000000 ] - [ 0.0000457600000000, 0.0002675700000000, 0.0006257500000000 ] - [ 0.0008172400000000, 0.0006400900000000, -0.0025291700000000 ] - [ -0.0005204100000000, -0.0000873300000000, 0.0001194500000000 ] - [ 0.0008541000000000, -0.0000193000000000, -0.0019777400000000 ] - [ -0.0011456300000000, 0.0003571400000000, -0.0006896400000000 ] - [ 0.0010759000000000, -0.0029983000000000, -0.0024622400000000 ] - [ -0.0009031800000000, -0.0001061600000000, -0.0011018600000000 ] - [ 0.0270273900000000, 0.0075537900000000, -0.0349502900000000 ] - [ 0.0001664200000000, 0.0004753000000000, -0.0008143300000000 ] - [ 0.0016032800000000, -0.0004584000000000, 0.0031084100000000 ] - [ -0.0003107100000000, -0.0000412500000000, 0.0012193400000000 ] - [ 0.0034455000000000, 0.0044717600000000, 0.0105487400000000 ] - [ -0.0008684100000000, 0.0001266900000000, -0.0002856700000000 ]- atom: 73 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ -0.0020450900000000, -0.0006059800000000, 0.0000385700000000 ] - [ 0.0036883000000000, 0.0029411000000000, -0.0033521600000000 ] - [ 0.0050917800000000, 0.0021951700000000, -0.0056034900000000 ] - [ -0.0025354200000000, -0.0005342900000000, 0.0008813700000000 ] - [ 0.0015504400000000, 0.0006187700000000, 0.0017727600000000 ] - [ -0.0020030300000000, 0.0003916700000000, 0.0004588400000000 ] - [ -0.0022945300000000, 0.0001180800000000, -0.0007788300000000 ] - [ 0.0011096600000000, 0.0001599100000000, 0.0064702200000000 ] - [ -0.0019989300000000, 0.0001688600000000, -0.0047349200000000 ] - [ -0.0014369900000000, 0.0005756000000000, 0.0019255800000000 ] - [ -0.0011571600000000, 0.0004097700000000, 0.0001145700000000 ] - [ -0.0003819900000000, 0.0001849600000000, -0.0009511400000000 ] - [ -0.0017729200000000, 0.0005028400000000, -0.0013966600000000 ] - [ -0.0009274600000000, -0.0014823300000000, 0.0014272700000000 ] - [ 0.0001008500000000, -0.0019045400000000, 0.0018945200000000 ] - [ -0.0013680400000000, 0.0013440700000000, -0.0010857400000000 ] - [ 0.0453635700000000, 0.0065937800000000, -0.0227411900000000 ] - [ -0.0026575500000000, 0.0004238000000000, 0.0005081100000000 ] - [ -0.0013887600000000, 0.0002799000000000, -0.0007004400000000 ] - [ 0.0024449900000000, -0.0004701300000000, 0.0001256400000000 ] - [ -0.0016304700000000, -0.0000209800000000, -0.0002777300000000 ] - [ 0.0032342900000000, -0.0017589800000000, -0.0015765000000000 ] - [ 0.0031916100000000, -0.0005000100000000, -0.0007481500000000 ] - [ -0.0019340800000000, -0.0001976500000000, 0.0005803800000000 ] - [ 0.0741124100000000, -0.0767026600000000, 0.0272147900000000 ] - [ -0.0037924500000000, 0.0002960300000000, -0.0001651200000000 ] - [ -0.0017496500000000, -0.0014754100000000, -0.0012039000000000 ] - [ 0.0028822400000000, 0.0013872500000000, 0.0002151800000000 ] - [ 0.0001379400000000, 0.0008796100000000, 0.0036469100000000 ] - [ -0.0013732200000000, -0.0016802800000000, -0.0002378100000000 ] - [ -0.0013257900000000, 0.0010113400000000, -0.0010305800000000 ] - [ 0.0018339800000000, -0.0008030400000000, 0.0001189100000000 ] - [ 0.0019343800000000, 0.0000946100000000, -0.0001150400000000 ] - [ -0.0017996300000000, 0.0009860900000000, -0.0012133600000000 ] - [ -0.0013389600000000, 0.0004914400000000, 0.0005748400000000 ] - [ 0.0014698100000000, 0.0004626900000000, 0.0002482200000000 ] - [ -0.0021120100000000, 0.0000155600000000, 0.0005186300000000 ] - [ 0.0038452100000000, -0.0035587300000000, 0.0009251200000000 ] - [ 0.0515396700000000, 0.0333624600000000, 0.0240706200000000 ] - [ -0.0025635600000000, -0.0006404500000000, -0.0007456200000000 ] - [ -0.0003502200000000, 0.0028181800000000, -0.0005474800000000 ] - [ -0.0010068300000000, -0.0025956600000000, 0.0001648800000000 ] - [ -0.0047576200000000, -0.0028508800000000, 0.0003844500000000 ] - [ -0.0120268800000000, 0.0109286600000000, 0.0001841500000000 ] - [ -0.0014389500000000, 0.0000819300000000, -0.0003363800000000 ] - [ -0.0001079700000000, 0.0015586500000000, 0.0003594900000000 ] - [ 0.0008587500000000, 0.0014230700000000, 0.0006271500000000 ] - [ 0.0000565100000000, 0.0003543800000000, -0.0003006000000000 ] - [ -0.0021197300000000, -0.0001423300000000, 0.0004533200000000 ] - [ 0.0029919700000000, -0.0001383100000000, 0.0001599900000000 ] - [ 0.0032244700000000, 0.0000108800000000, -0.0005503200000000 ] - [ -0.0026103600000000, -0.0003165400000000, -0.0005709400000000 ] - [ 0.0042234000000000, -0.0003164900000000, -0.0007322900000000 ] - [ -0.0033325000000000, 0.0002030100000000, -0.0003597600000000 ] - [ -0.0052451000000000, 0.0001212500000000, 0.0003927700000000 ] - [ 0.1716780500000000, 0.0271826100000000, -0.0311643500000000 ] - [ 0.0007249800000000, -0.0003631500000000, -0.0002063600000000 ] - [ -0.0006537900000000, -0.0011787100000000, -0.0001466600000000 ] - [ -0.0008981200000000, -0.0006565900000000, 0.0003441300000000 ] - [ 0.0000914200000000, -0.0003455800000000, -0.0000359200000000 ] - [ -0.0056356300000000, 0.0013690300000000, -0.0000170200000000 ] - [ -0.0146261800000000, -0.0084681200000000, 0.0055929400000000 ] - [ 0.0002908600000000, -0.0000784000000000, -0.0000987400000000 ] - [ -0.0013840300000000, 0.0024260500000000, 0.0004991100000000 ] - [ 0.0009532800000000, 0.0009430600000000, -0.0003618900000000 ] - [ -0.0005082300000000, 0.0007396700000000, 0.0012418400000000 ] - [ -0.0033743800000000, 0.0003030100000000, 0.0011119200000000 ] - [ -0.0106430700000000, 0.0015354100000000, -0.0131379600000000 ] - [ -0.0015249700000000, -0.0010352800000000, -0.0013026100000000 ] - [ -0.0002069900000000, -0.0000480300000000, 0.0003162000000000 ] - [ 0.0011374300000000, 0.0009072100000000, 0.0010612800000000 ] - [ -0.0011534000000000, 0.0002414000000000, 0.0002821900000000 ] - [ -0.3658669200000000, 0.0131014000000000, 0.0087761900000000 ] - [ 0.0059155900000000, -0.0008256000000000, -0.0007698100000000 ] - [ 0.0025743300000000, -0.0000258400000000, 0.0008613700000000 ] - [ -0.0062114000000000, 0.0002508600000000, 0.0000060500000000 ] - [ 0.0021087800000000, -0.0002484000000000, 0.0004004100000000 ] - [ -0.0047355600000000, 0.0008490200000000, 0.0018559600000000 ] - [ -0.0026434600000000, 0.0002778300000000, -0.0003847200000000 ] - [ 0.0029257900000000, -0.0000921200000000, -0.0006578900000000 ] - [ 0.0085110100000000, 0.0008690800000000, -0.0011092300000000 ] - [ 0.0567200100000000, -0.0015841100000000, 0.0085530600000000 ] - [ -0.0016900400000000, -0.0018995600000000, 0.0013596300000000 ] - [ 0.0034702300000000, 0.0002422000000000, -0.0008008700000000 ] - [ -0.0011876300000000, -0.0006603200000000, -0.0026691000000000 ] - [ 0.0028960500000000, 0.0008787500000000, 0.0013014500000000 ] - [ 0.0009907600000000, 0.0005244700000000, 0.0004863800000000 ] - [ -0.0025562000000000, -0.0010344600000000, -0.0009842000000000 ] - [ 0.0040026500000000, -0.0005047500000000, 0.0006108600000000 ] - [ -0.0063064500000000, 0.0137897100000000, -0.0099238600000000 ] - [ -0.0085495700000000, 0.0054785300000000, -0.0036466000000000 ] - [ 0.0023702300000000, 0.0000145500000000, 0.0002525700000000 ] - [ -0.0051292400000000, 0.0006160800000000, 0.0011554900000000 ] - [ 0.0021373900000000, -0.0003414400000000, -0.0000507100000000 ] - [ 0.0022988200000000, 0.0000713300000000, -0.0002174500000000 ] - [ -0.0019005300000000, -0.0008270800000000, 0.0005314700000000 ] - [ 0.0039355800000000, 0.0056645100000000, 0.0065103400000000 ] - [ 0.0035357700000000, -0.0007425700000000, -0.0017277600000000 ] - [ 0.0025016700000000, -0.0015826900000000, -0.0015699300000000 ] - [ 0.0005697000000000, 0.0059976800000000, 0.0022261300000000 ] - [ 0.0006706700000000, -0.0007761900000000, 0.0002807200000000 ] - [ -0.0010810700000000, -0.0000060700000000, -0.0007004600000000 ] - [ 0.0024895600000000, 0.0011967300000000, -0.0073822000000000 ] - [ 0.0046503200000000, -0.0013785200000000, 0.0027480600000000 ] - [ 0.0029331100000000, 0.0006024400000000, 0.0002671300000000 ] - [ -0.0054221700000000, -0.0130494300000000, -0.0124451100000000 ] - [ -0.0074792700000000, -0.0043482700000000, -0.0036424600000000 ] - [ 0.0026433000000000, 0.0006636900000000, 0.0005460500000000 ] - [ -0.0024273300000000, -0.0010891800000000, 0.0010146300000000 ] - [ 0.0018115400000000, -0.0000975000000000, 0.0002472100000000 ] - [ 0.0027654700000000, 0.0000301200000000, -0.0009341300000000 ] - [ -0.0062078500000000, -0.0026973900000000, 0.0077399600000000 ] - [ -0.0008988000000000, 0.0004086600000000, -0.0021061800000000 ] - [ 0.0014390100000000, -0.0009193900000000, 0.0004537500000000 ] - [ 0.0039686500000000, -0.0003737500000000, 0.0032936300000000 ] - [ 0.0013994400000000, 0.0004424300000000, -0.0020899300000000 ] - [ 0.0034796300000000, 0.0028406300000000, -0.0009047000000000 ] - [ 0.0006504100000000, -0.0082048100000000, 0.0038626100000000 ] - [ 0.0122637200000000, -0.0126530500000000, 0.0161409300000000 ] - [ 0.0070947200000000, 0.0029785000000000, -0.0051439300000000 ]- atom: 73 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ 0.0024409600000000, 0.0001222300000000, -0.0010440900000000 ] - [ -0.0032760900000000, -0.0034113800000000, 0.0023382400000000 ] - [ -0.0054692900000000, -0.0026679400000000, 0.0065511200000000 ] - [ 0.0021460600000000, 0.0000418900000000, 0.0001187600000000 ] - [ -0.0019508900000000, -0.0001261500000000, -0.0007574200000000 ] - [ 0.0016112600000000, 0.0001010800000000, 0.0005402900000000 ] - [ 0.0026853900000000, 0.0003708000000000, -0.0002163700000000 ] - [ -0.0007101800000000, 0.0003299700000000, -0.0074514500000000 ] - [ 0.0026191800000000, 0.0004189200000000, 0.0053253500000000 ] - [ 0.0020803800000000, 0.0000213700000000, -0.0013392200000000 ] - [ 0.0005114600000000, 0.0001953300000000, -0.0007014200000000 ] - [ -0.0002541700000000, 0.0004214000000000, 0.0003643400000000 ] - [ 0.0011265400000000, -0.0011112200000000, 0.0008127100000000 ] - [ 0.0002939900000000, 0.0008785700000000, -0.0020169200000000 ] - [ 0.0005199200000000, 0.0013180000000000, -0.0013186900000000 ] - [ 0.0020083500000000, -0.0019378900000000, 0.0016698300000000 ] - [ -0.0451053500000000, -0.0057543600000000, 0.0224203800000000 ] - [ 0.0024197300000000, 0.0000779900000000, 0.0005085900000000 ] - [ 0.0016267700000000, 0.0002237000000000, -0.0003118100000000 ] - [ -0.0021987200000000, 0.0009743700000000, -0.0011422400000000 ] - [ 0.0018704500000000, -0.0004829100000000, -0.0007419900000000 ] - [ -0.0029811200000000, 0.0012570100000000, 0.0005638200000000 ] - [ -0.0034288000000000, -0.0000079900000000, 0.0017430700000000 ] - [ 0.0016970500000000, -0.0003043100000000, 0.0004352900000000 ] - [ -0.0741705100000000, 0.0779589000000000, -0.0264657100000000 ] - [ 0.0037580600000000, -0.0012826400000000, 0.0015880900000000 ] - [ 0.0017985800000000, 0.0005091100000000, -0.0002094900000000 ] - [ -0.0028167900000000, -0.0023586700000000, -0.0016228400000000 ] - [ 0.0006000500000000, -0.0022854200000000, -0.0023158400000000 ] - [ 0.0021292000000000, 0.0002740900000000, 0.0015684000000000 ] - [ 0.0013717100000000, -0.0000354700000000, -0.0003876500000000 ] - [ -0.0017796000000000, 0.0017766600000000, -0.0015341100000000 ] - [ -0.0017775800000000, 0.0010093100000000, -0.0012406500000000 ] - [ 0.0019610700000000, 0.0001210000000000, -0.0001489000000000 ] - [ 0.0011749300000000, 0.0006129300000000, 0.0007812500000000 ] - [ -0.0016276500000000, 0.0006454100000000, 0.0011078600000000 ] - [ 0.0019508600000000, -0.0011236200000000, 0.0008402800000000 ] - [ -0.0039882400000000, 0.0024530300000000, 0.0004382100000000 ] - [ -0.0506701700000000, -0.0339497100000000, -0.0251190300000000 ] - [ 0.0027283700000000, -0.0004632500000000, -0.0006101200000000 ] - [ 0.0014891900000000, -0.0041978400000000, 0.0004523000000000 ] - [ 0.0021856500000000, 0.0011952900000000, -0.0002634800000000 ] - [ 0.0036254700000000, 0.0014693100000000, -0.0002830200000000 ] - [ 0.0108143300000000, -0.0123299400000000, -0.0000637500000000 ] - [ 0.0002611300000000, 0.0013273400000000, 0.0004345500000000 ] - [ -0.0010602100000000, -0.0001483800000000, -0.0002609600000000 ] - [ 0.0003094900000000, -0.0000117500000000, -0.0007294700000000 ] - [ 0.0011201800000000, 0.0010544200000000, 0.0001979200000000 ] - [ 0.0024356000000000, -0.0002066800000000, 0.0004417300000000 ] - [ -0.0026642700000000, -0.0002135000000000, 0.0007332400000000 ] - [ -0.0035444000000000, -0.0003588300000000, -0.0003498600000000 ] - [ 0.0022927400000000, -0.0000338700000000, -0.0003280400000000 ] - [ -0.0045405800000000, 0.0006612800000000, -0.0001665900000000 ] - [ 0.0030173300000000, 0.0001491800000000, -0.0005359600000000 ] - [ 0.0055816300000000, 0.0002222600000000, 0.0005074700000000 ] - [ -0.1593033500000000, -0.0245052700000000, 0.0289587800000000 ] - [ -0.0002294000000000, -0.0009136300000000, 0.0000112200000000 ] - [ 0.0011614800000000, -0.0000940800000000, -0.0000541400000000 ] - [ 0.0003914600000000, -0.0006133100000000, -0.0001498100000000 ] - [ -0.0005908200000000, -0.0009267300000000, 0.0002280800000000 ] - [ 0.0051337300000000, -0.0001281600000000, 0.0002392300000000 ] - [ 0.0141837400000000, 0.0097836600000000, -0.0053881800000000 ] - [ 0.0001926600000000, 0.0013668700000000, -0.0000885700000000 ] - [ 0.0018899300000000, -0.0011471800000000, -0.0006934800000000 ] - [ -0.0002036300000000, 0.0004619100000000, 0.0016888200000000 ] - [ 0.0012683400000000, 0.0006630500000000, 0.0000917800000000 ] - [ 0.0026371600000000, 0.0010948600000000, -0.0024570200000000 ] - [ 0.0098242600000000, -0.0001361900000000, 0.0117769700000000 ] - [ 0.0007618300000000, -0.0003639300000000, -0.0000279200000000 ] - [ -0.0005419200000000, -0.0013539400000000, -0.0016509100000000 ] - [ -0.0011899300000000, 0.0000680700000000, 0.0003490100000000 ] - [ 0.0011078400000000, 0.0007394100000000, 0.0011329600000000 ] - [ 0.3532026600000000, -0.0189766500000000, -0.0049785800000000 ] - [ -0.0048422800000000, 0.0006226500000000, -0.0005231500000000 ] - [ -0.0036617800000000, -0.0001867000000000, 0.0004238300000000 ] - [ 0.0051053100000000, -0.0004638100000000, 0.0012820700000000 ] - [ -0.0031953200000000, 0.0004593800000000, 0.0008948800000000 ] - [ 0.0036380800000000, -0.0006404400000000, -0.0005698000000000 ] - [ 0.0037238200000000, -0.0000640300000000, -0.0008941700000000 ] - [ -0.0018393900000000, 0.0002974500000000, -0.0006311600000000 ] - [ -0.0102157300000000, -0.0008530200000000, 0.0009753100000000 ] - [ -0.0579170400000000, 0.0016781800000000, -0.0088613500000000 ] - [ 0.0033436600000000, 0.0018714800000000, -0.0012191100000000 ] - [ -0.0018342100000000, -0.0002573200000000, 0.0009354700000000 ] - [ 0.0028394100000000, 0.0006698100000000, 0.0028069300000000 ] - [ -0.0012566600000000, -0.0008679800000000, -0.0011598200000000 ] - [ -0.0026249400000000, -0.0005163700000000, -0.0006227000000000 ] - [ 0.0009077800000000, 0.0010441700000000, 0.0008506500000000 ] - [ -0.0031054600000000, 0.0008571400000000, -0.0007117800000000 ] - [ 0.0071761900000000, -0.0134122900000000, 0.0098066800000000 ] - [ 0.0076880900000000, -0.0050393100000000, 0.0036987000000000 ] - [ -0.0032742700000000, 0.0003276900000000, -0.0001603100000000 ] - [ 0.0042302200000000, -0.0009593100000000, -0.0010421200000000 ] - [ -0.0030420700000000, -0.0000022000000000, 0.0001442200000000 ] - [ -0.0013941700000000, -0.0004199400000000, 0.0001274800000000 ] - [ 0.0027936900000000, 0.0004742600000000, -0.0006206600000000 ] - [ -0.0028548600000000, -0.0048401500000000, -0.0060684000000000 ] - [ -0.0024936200000000, 0.0015942400000000, 0.0021939800000000 ] - [ -0.0035339800000000, 0.0024544200000000, 0.0010966600000000 ] - [ -0.0016163200000000, -0.0051268600000000, -0.0027066000000000 ] - [ -0.0017039500000000, -0.0000792700000000, -0.0007548400000000 ] - [ 0.0000311800000000, -0.0008499600000000, 0.0002263200000000 ] - [ -0.0014350900000000, -0.0020559500000000, 0.0079339700000000 ] - [ -0.0035962500000000, 0.0005196400000000, -0.0022569900000000 ] - [ -0.0029587300000000, -0.0001222100000000, -0.0010081000000000 ] - [ 0.0053684300000000, 0.0134783800000000, 0.0116453000000000 ] - [ 0.0075014700000000, 0.0047822800000000, 0.0043404900000000 ] - [ -0.0026276900000000, -0.0001794800000000, 0.0001789800000000 ] - [ 0.0024460300000000, 0.0005992600000000, -0.0002789800000000 ] - [ -0.0017940900000000, -0.0003866900000000, 0.0004809000000000 ] - [ -0.0027885600000000, -0.0005168400000000, 0.0002171500000000 ] - [ 0.0061575000000000, 0.0022062700000000, -0.0084128500000000 ] - [ 0.0003392900000000, -0.0005022600000000, 0.0006233500000000 ] - [ -0.0020235700000000, 0.0008318000000000, -0.0019351000000000 ] - [ -0.0033797900000000, 0.0002942400000000, -0.0018081000000000 ] - [ -0.0008269200000000, -0.0005218600000000, 0.0035795700000000 ] - [ -0.0028887700000000, -0.0028028300000000, 0.0024089300000000 ] - [ -0.0000739600000000, 0.0082520200000000, -0.0023764400000000 ] - [ -0.0127551400000000, 0.0128339100000000, -0.0176974600000000 ] - [ -0.0076800100000000, -0.0028887800000000, 0.0036538800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005276600000000, -0.0001857800000000, -0.0002692300000000 ] - [ 0.0051981400000000, -0.0028983900000000, 0.0022210800000000 ] - [ -0.0026734200000000, -0.0050585400000000, 0.0116920700000000 ] - [ 0.0001228300000000, -0.0003030500000000, 0.0006595700000000 ] - [ -0.0003066700000000, -0.0065074900000000, 0.0010368800000000 ] - [ 0.0000160900000000, -0.0001338200000000, 0.0003968100000000 ] - [ 0.0008235000000000, 0.0011734700000000, -0.0002449200000000 ] - [ 0.0001840600000000, 0.0042704100000000, 0.0000214800000000 ] - [ 0.0014921700000000, 0.0074216300000000, 0.0040100100000000 ] - [ 0.0004123200000000, 0.0009246100000000, 0.0005777000000000 ] - [ -0.0008929000000000, -0.0018451500000000, -0.0003380800000000 ] - [ 0.0003351200000000, -0.0013697200000000, -0.0001449800000000 ] - [ 0.0010574800000000, -0.0001118000000000, 0.0013338900000000 ] - [ -0.0013232800000000, -0.0001657900000000, 0.0006017800000000 ] - [ -0.0024747000000000, -0.0022442100000000, 0.0027093700000000 ] - [ 0.0012573500000000, -0.0002036700000000, 0.0003493300000000 ] - [ 0.0055494100000000, 0.0495676200000000, -0.0422341300000000 ] - [ 0.0000739800000000, 0.0005877300000000, 0.0002446100000000 ] - [ 0.0003053200000000, -0.0004384700000000, -0.0004544100000000 ] - [ -0.0004012400000000, -0.0024330500000000, -0.0005338300000000 ] - [ 0.0005462800000000, -0.0005133300000000, -0.0008282500000000 ] - [ -0.0014304900000000, -0.0011589300000000, -0.0033750500000000 ] - [ 0.0003142400000000, -0.0013007900000000, -0.0062821800000000 ] - [ -0.0001325000000000, -0.0000444300000000, 0.0005326000000000 ] - [ -0.0820020700000000, 0.1969792300000000, -0.0451032400000000 ] - [ 0.0000177300000000, -0.0003535500000000, 0.0006501100000000 ] - [ -0.0008169600000000, -0.0013305400000000, -0.0009993100000000 ] - [ 0.0019992600000000, -0.0056265100000000, -0.0009977300000000 ] - [ 0.0017075800000000, -0.0010113400000000, -0.0037934900000000 ] - [ 0.0002171600000000, -0.0007754200000000, 0.0004041800000000 ] - [ 0.0003277800000000, 0.0006411200000000, -0.0004609200000000 ] - [ -0.0001295300000000, 0.0018700200000000, -0.0007780200000000 ] - [ -0.0003413300000000, 0.0011226200000000, -0.0002744000000000 ] - [ 0.0001258800000000, 0.0008816800000000, -0.0006981100000000 ] - [ 0.0000511800000000, 0.0001342500000000, 0.0007721400000000 ] - [ -0.0005133000000000, -0.0004022800000000, 0.0005156200000000 ] - [ 0.0007671700000000, -0.0016662600000000, 0.0007790700000000 ] - [ -0.0027447100000000, -0.0062697100000000, 0.0015894300000000 ] - [ 0.0339584400000000, 0.1762844600000000, 0.0913357600000000 ] - [ 0.0003372600000000, -0.0000171200000000, -0.0005105700000000 ] - [ 0.0025342400000000, -0.0106497400000000, 0.0002716800000000 ] - [ 0.0002776200000000, -0.0012621500000000, 0.0000155800000000 ] - [ -0.0044695400000000, 0.0023056800000000, 0.0005866600000000 ] - [ -0.0028653400000000, 0.0041804900000000, -0.0000251400000000 ] - [ -0.0008383600000000, 0.0018534000000000, 0.0007760200000000 ] - [ 0.0000871100000000, 0.0016261400000000, 0.0003982100000000 ] - [ 0.0006730500000000, -0.0010692500000000, -0.0001933000000000 ] - [ 0.0006851000000000, 0.0002375000000000, 0.0000648900000000 ] - [ -0.0003178400000000, -0.0000203700000000, 0.0001038000000000 ] - [ 0.0012800700000000, -0.0006857500000000, 0.0000963400000000 ] - [ -0.0008156700000000, 0.0002563500000000, -0.0000922300000000 ] - [ 0.0000995600000000, -0.0002295400000000, -0.0005196200000000 ] - [ -0.0004451300000000, -0.0053715900000000, -0.0009471600000000 ] - [ 0.0000306900000000, -0.0003298200000000, -0.0004676300000000 ] - [ 0.0018027700000000, 0.0021297300000000, 0.0000843500000000 ] - [ 0.0261296300000000, 0.0351396200000000, -0.0062270200000000 ] - [ 0.0002878200000000, 0.0005036900000000, 0.0001780600000000 ] - [ 0.0003335700000000, -0.0004120900000000, -0.0000525400000000 ] - [ -0.0007042600000000, -0.0011142800000000, 0.0003516300000000 ] - [ 0.0003896000000000, -0.0013865800000000, -0.0001562300000000 ] - [ 0.0103946000000000, 0.0037565100000000, -0.0020779600000000 ] - [ -0.0009044500000000, 0.0007374400000000, -0.0003845500000000 ] - [ -0.0026046000000000, -0.0058753600000000, -0.0005505700000000 ] - [ 0.0008128600000000, 0.0005236100000000, -0.0002730500000000 ] - [ 0.0002500100000000, -0.0028366300000000, 0.0006288200000000 ] - [ 0.0005406800000000, 0.0002877300000000, 0.0007029600000000 ] - [ -0.0003465100000000, 0.0030882900000000, -0.0021651700000000 ] - [ -0.0013415000000000, 0.0020664100000000, -0.0030647600000000 ] - [ -0.0027520200000000, -0.0009572600000000, -0.0023806400000000 ] - [ 0.0016909900000000, -0.0014358000000000, -0.0021301800000000 ] - [ -0.0004946300000000, -0.0016637400000000, -0.0000041500000000 ] - [ 0.0001354000000000, 0.0003951100000000, 0.0008121300000000 ] - [ 0.0214214600000000, -0.5074449900000000, 0.0183109800000000 ] - [ -0.0001810300000000, -0.0006884700000000, -0.0003713900000000 ] - [ -0.0006236000000000, 0.0016384600000000, 0.0005913700000000 ] - [ -0.0009046600000000, 0.0081998500000000, 0.0003669600000000 ] - [ -0.0008976800000000, 0.0003765200000000, 0.0008050100000000 ] - [ 0.0002008700000000, -0.0009837300000000, 0.0024424000000000 ] - [ 0.0003717600000000, 0.0016296400000000, 0.0025951700000000 ] - [ 0.0007388200000000, -0.0001855400000000, -0.0007445200000000 ] - [ -0.0029200500000000, -0.0102131200000000, 0.0022027000000000 ] - [ 0.0053276000000000, -0.0017668100000000, 0.0027754000000000 ] - [ 0.0023494800000000, 0.0110288800000000, 0.0000104900000000 ] - [ 0.0005521000000000, 0.0009887100000000, 0.0000647900000000 ] - [ 0.0009706500000000, 0.0003220300000000, 0.0022901400000000 ] - [ 0.0006363200000000, 0.0002528900000000, 0.0002900700000000 ] - [ -0.0004186400000000, -0.0008150500000000, 0.0012227900000000 ] - [ -0.0021597200000000, -0.0002322900000000, 0.0005460900000000 ] - [ -0.0014853200000000, 0.0005956200000000, -0.0008252200000000 ] - [ 0.0117137400000000, 0.0037785800000000, -0.0081169200000000 ] - [ 0.0033732300000000, 0.0350068100000000, -0.0177748800000000 ] - [ -0.0004728900000000, 0.0000843600000000, 0.0002648000000000 ] - [ 0.0007441600000000, -0.0060371900000000, -0.0018946700000000 ] - [ -0.0007391600000000, -0.0004991300000000, -0.0001579900000000 ] - [ 0.0006759300000000, 0.0004551800000000, -0.0001499500000000 ] - [ 0.0003113700000000, 0.0028133100000000, -0.0008961000000000 ] - [ 0.0141879500000000, 0.0040733900000000, 0.0115435700000000 ] - [ -0.0002260000000000, 0.0000306400000000, -0.0001550300000000 ] - [ -0.0036339600000000, 0.0028070000000000, 0.0020161000000000 ] - [ 0.0015959400000000, 0.0013341600000000, 0.0007266100000000 ] - [ -0.0007024400000000, 0.0013098300000000, -0.0006776600000000 ] - [ -0.0002089600000000, 0.0007240900000000, -0.0004747500000000 ] - [ 0.0046601700000000, -0.0038704200000000, -0.0016021900000000 ] - [ 0.0003320400000000, -0.0010741300000000, 0.0004901500000000 ] - [ 0.0008850600000000, -0.0006164600000000, -0.0002285500000000 ] - [ -0.0157949900000000, 0.0009112100000000, 0.0105045300000000 ] - [ 0.0009006900000000, 0.0189975200000000, 0.0106599000000000 ] - [ -0.0002675500000000, 0.0005517900000000, 0.0005816000000000 ] - [ 0.0001342600000000, 0.0036113300000000, -0.0012085000000000 ] - [ -0.0001885900000000, 0.0001296900000000, 0.0002132600000000 ] - [ -0.0000190500000000, -0.0009534000000000, -0.0002923600000000 ] - [ -0.0041702200000000, -0.0025932700000000, -0.0036874100000000 ] - [ 0.0005555600000000, 0.0036005600000000, -0.0020182000000000 ] - [ -0.0011808400000000, 0.0006806400000000, -0.0009046500000000 ] - [ -0.0012809000000000, -0.0015887600000000, -0.0014240200000000 ] - [ 0.0001417900000000, -0.0015464100000000, -0.0000021100000000 ] - [ 0.0046067800000000, 0.0018964600000000, -0.0000730500000000 ] - [ -0.0049507000000000, 0.0006086100000000, 0.0018651900000000 ] - [ -0.0245069000000000, 0.0114447800000000, -0.0260811700000000 ] - [ 0.0005236700000000, -0.0000507600000000, -0.0010906300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009289900000000, -0.0003067600000000, -0.0007333400000000 ] - [ -0.0048496000000000, 0.0024154700000000, -0.0032603800000000 ] - [ 0.0023193100000000, 0.0045758300000000, -0.0106981200000000 ] - [ -0.0005220000000000, -0.0001852600000000, 0.0003439800000000 ] - [ -0.0000770000000000, 0.0070021300000000, -0.0000674200000000 ] - [ -0.0004158700000000, 0.0006241400000000, 0.0006065300000000 ] - [ -0.0004278300000000, -0.0006829900000000, -0.0007584500000000 ] - [ 0.0002229400000000, -0.0037771400000000, -0.0010432500000000 ] - [ -0.0008543500000000, -0.0068324500000000, -0.0034383100000000 ] - [ 0.0002316200000000, -0.0003247000000000, 0.0000058600000000 ] - [ 0.0002609800000000, 0.0024494900000000, -0.0002450800000000 ] - [ -0.0009885200000000, 0.0019759800000000, -0.0004442500000000 ] - [ -0.0016914300000000, -0.0004876400000000, -0.0019177700000000 ] - [ 0.0006803400000000, -0.0004298400000000, -0.0011889600000000 ] - [ 0.0031414500000000, 0.0016367300000000, -0.0021355100000000 ] - [ -0.0006230000000000, -0.0004028500000000, 0.0002366600000000 ] - [ -0.0057773800000000, -0.0483888800000000, 0.0424712400000000 ] - [ -0.0003093500000000, -0.0000805400000000, 0.0007725600000000 ] - [ -0.0000706300000000, 0.0009488800000000, -0.0005590300000000 ] - [ 0.0006366300000000, 0.0029445000000000, -0.0004670400000000 ] - [ -0.0003095900000000, 0.0000071200000000, -0.0001890800000000 ] - [ 0.0016511200000000, 0.0006532000000000, 0.0023345000000000 ] - [ -0.0005452700000000, 0.0007863700000000, 0.0072863700000000 ] - [ -0.0001034500000000, -0.0004664900000000, 0.0004813700000000 ] - [ 0.0758036000000000, -0.1878553500000000, 0.0426825500000000 ] - [ -0.0000561000000000, -0.0006253000000000, 0.0007704800000000 ] - [ 0.0008612100000000, 0.0003528300000000, -0.0004179800000000 ] - [ -0.0019690500000000, 0.0046551500000000, -0.0004109600000000 ] - [ -0.0009279000000000, -0.0003876800000000, 0.0051005800000000 ] - [ 0.0005450600000000, -0.0006255500000000, 0.0009298400000000 ] - [ -0.0002855100000000, 0.0003380100000000, -0.0009592400000000 ] - [ 0.0001688700000000, -0.0008810900000000, -0.0006486700000000 ] - [ 0.0005061300000000, -0.0000287600000000, -0.0010849500000000 ] - [ 0.0000400500000000, 0.0002209400000000, -0.0006618500000000 ] - [ -0.0002164700000000, 0.0009704700000000, 0.0005863500000000 ] - [ 0.0003466500000000, 0.0015107100000000, 0.0008338000000000 ] - [ -0.0009324600000000, 0.0005641900000000, 0.0005824900000000 ] - [ 0.0025574400000000, 0.0051444700000000, -0.0002157200000000 ] - [ -0.0363464200000000, -0.1859178700000000, -0.0996304600000000 ] - [ -0.0001719700000000, -0.0010893200000000, -0.0008492500000000 ] - [ -0.0013638400000000, 0.0093137900000000, -0.0003522900000000 ] - [ 0.0009005300000000, -0.0001364700000000, -0.0001151900000000 ] - [ 0.0032916800000000, -0.0037249300000000, -0.0004819100000000 ] - [ 0.0017011800000000, -0.0056268500000000, 0.0001329900000000 ] - [ -0.0003434300000000, -0.0004527100000000, -0.0006752300000000 ] - [ -0.0012649300000000, -0.0002274100000000, -0.0002949400000000 ] - [ 0.0005092800000000, 0.0024774000000000, 0.0000829800000000 ] - [ 0.0004920200000000, 0.0011720300000000, -0.0001676300000000 ] - [ 0.0006365000000000, -0.0003321800000000, 0.0007948100000000 ] - [ -0.0009579900000000, 0.0003287500000000, 0.0007982300000000 ] - [ 0.0004964200000000, -0.0005987800000000, -0.0008164400000000 ] - [ -0.0004185300000000, -0.0001187200000000, -0.0003828900000000 ] - [ 0.0001392600000000, 0.0057263700000000, 0.0000633900000000 ] - [ -0.0003509600000000, 0.0006807800000000, -0.0004333100000000 ] - [ -0.0014878000000000, -0.0017820200000000, 0.0008162600000000 ] - [ -0.0265626700000000, -0.0352011500000000, 0.0071915400000000 ] - [ 0.0002250800000000, -0.0017636700000000, -0.0003837700000000 ] - [ 0.0001781500000000, -0.0008545200000000, -0.0001469300000000 ] - [ 0.0001978300000000, -0.0001586700000000, -0.0001598900000000 ] - [ -0.0009027200000000, 0.0001143900000000, 0.0003497600000000 ] - [ -0.0109263700000000, -0.0024951100000000, 0.0023021600000000 ] - [ 0.0004319800000000, 0.0005723600000000, 0.0005731500000000 ] - [ 0.0031312300000000, 0.0071633900000000, 0.0003668600000000 ] - [ -0.0003069200000000, 0.0007442700000000, 0.0000768500000000 ] - [ 0.0005177200000000, 0.0042414200000000, 0.0007074600000000 ] - [ 0.0002210300000000, 0.0011183800000000, 0.0006304000000000 ] - [ -0.0004233400000000, -0.0016827200000000, 0.0008357800000000 ] - [ 0.0006146300000000, -0.0006640400000000, 0.0017679300000000 ] - [ 0.0019797100000000, -0.0004538700000000, 0.0010396700000000 ] - [ -0.0024549200000000, 0.0000257000000000, 0.0007951600000000 ] - [ 0.0004491000000000, 0.0026298800000000, 0.0014104400000000 ] - [ -0.0001793300000000, 0.0005822200000000, 0.0006057200000000 ] - [ -0.0107658900000000, 0.5056001200000000, -0.0080896900000000 ] - [ 0.0012725600000000, 0.0004879200000000, -0.0009224000000000 ] - [ -0.0004669900000000, -0.0018448100000000, 0.0006981700000000 ] - [ -0.0001948300000000, -0.0083975100000000, 0.0008964600000000 ] - [ -0.0001948200000000, -0.0001745400000000, 0.0004892400000000 ] - [ -0.0012930200000000, 0.0011664300000000, -0.0011283700000000 ] - [ 0.0007189800000000, -0.0014091900000000, -0.0038768600000000 ] - [ 0.0003535800000000, 0.0003927100000000, -0.0005455600000000 ] - [ 0.0012923200000000, 0.0102074200000000, -0.0023422400000000 ] - [ -0.0070451900000000, 0.0017710800000000, -0.0029194900000000 ] - [ -0.0007301700000000, -0.0110538200000000, 0.0001248000000000 ] - [ 0.0010954400000000, -0.0010010200000000, 0.0000788900000000 ] - [ 0.0006748700000000, -0.0003264000000000, -0.0021236000000000 ] - [ 0.0010088900000000, -0.0002500200000000, -0.0001458300000000 ] - [ -0.0012259600000000, 0.0008315600000000, -0.0013588100000000 ] - [ 0.0005162700000000, 0.0002520900000000, -0.0006862900000000 ] - [ 0.0023880100000000, -0.0002535700000000, 0.0007330100000000 ] - [ -0.0107448000000000, -0.0034518800000000, 0.0079568700000000 ] - [ -0.0043658000000000, -0.0351966800000000, 0.0180647200000000 ] - [ -0.0004273700000000, 0.0002626500000000, -0.0001743600000000 ] - [ -0.0016418200000000, 0.0056849200000000, 0.0020017900000000 ] - [ -0.0001632400000000, 0.0001548200000000, 0.0002513000000000 ] - [ 0.0002230400000000, -0.0007995600000000, 0.0000596700000000 ] - [ 0.0005971200000000, -0.0031610100000000, 0.0008193100000000 ] - [ -0.0131506200000000, -0.0032227600000000, -0.0110967300000000 ] - [ 0.0012675300000000, 0.0008277800000000, 0.0006316900000000 ] - [ 0.0025832000000000, -0.0019560800000000, -0.0025012900000000 ] - [ -0.0026210900000000, -0.0004977200000000, -0.0012043000000000 ] - [ -0.0003431800000000, -0.0021642200000000, 0.0002042500000000 ] - [ -0.0008287800000000, -0.0015792100000000, -0.0000018300000000 ] - [ -0.0036174400000000, 0.0030261200000000, 0.0020645300000000 ] - [ 0.0007041800000000, 0.0002256100000000, -0.0000165800000000 ] - [ -0.0009014700000000, 0.0011032300000000, -0.0005001600000000 ] - [ 0.0158065400000000, -0.0003868400000000, -0.0112890700000000 ] - [ -0.0009115600000000, -0.0183446300000000, -0.0098640500000000 ] - [ 0.0002857600000000, -0.0000702500000000, 0.0001434100000000 ] - [ -0.0001179300000000, -0.0040959100000000, 0.0019379400000000 ] - [ 0.0002085000000000, -0.0006158000000000, 0.0005151200000000 ] - [ 0.0000023400000000, 0.0004709100000000, -0.0004345900000000 ] - [ 0.0041588200000000, 0.0021428000000000, 0.0029425300000000 ] - [ -0.0011578500000000, -0.0036795400000000, 0.0005537700000000 ] - [ 0.0006104700000000, -0.0007621200000000, -0.0005759700000000 ] - [ 0.0018585500000000, 0.0015027300000000, 0.0029132100000000 ] - [ 0.0004313600000000, 0.0014578700000000, 0.0014955100000000 ] - [ -0.0040454600000000, -0.0018072600000000, 0.0015496500000000 ] - [ 0.0055725600000000, -0.0005114700000000, -0.0003936500000000 ] - [ 0.0238338300000000, -0.0112975500000000, 0.0245241600000000 ] - [ -0.0011103100000000, 0.0001251000000000, -0.0003894800000000 ]- atom: 73 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0010930700000000, -0.0001413400000000, -0.0001372600000000 ] - [ -0.0055959400000000, 0.0065011300000000, 0.0020735100000000 ] - [ -0.0012536500000000, 0.0019307600000000, -0.0018787000000000 ] - [ -0.0000723600000000, -0.0001255900000000, 0.0003082300000000 ] - [ -0.0006053300000000, 0.0006848600000000, 0.0015135700000000 ] - [ -0.0003067100000000, 0.0003564700000000, 0.0006597300000000 ] - [ -0.0006241100000000, 0.0001327000000000, -0.0008680100000000 ] - [ 0.0036738600000000, 0.0016525400000000, -0.0052434600000000 ] - [ -0.0034525000000000, 0.0019824500000000, -0.0044549500000000 ] - [ 0.0010083400000000, 0.0001336800000000, -0.0001343700000000 ] - [ 0.0007013800000000, 0.0013254600000000, 0.0006339400000000 ] - [ -0.0013886100000000, 0.0012492100000000, -0.0000221000000000 ] - [ -0.0014531400000000, 0.0004553800000000, -0.0013403600000000 ] - [ 0.0005699400000000, 0.0002322400000000, -0.0011902600000000 ] - [ 0.0043495000000000, 0.0060360400000000, 0.0009051800000000 ] - [ -0.0006012700000000, -0.0003815200000000, 0.0004527100000000 ] - [ -0.0261394300000000, -0.0457689100000000, 0.2743409000000000 ] - [ 0.0000022600000000, 0.0001169800000000, 0.0010339100000000 ] - [ -0.0000512000000000, 0.0003324700000000, -0.0005202900000000 ] - [ 0.0004038100000000, 0.0005909600000000, -0.0011539900000000 ] - [ 0.0004407300000000, -0.0003151200000000, -0.0005483000000000 ] - [ -0.0011938500000000, -0.0028044700000000, -0.0009763300000000 ] - [ -0.0001568100000000, -0.0010903700000000, -0.0067298400000000 ] - [ -0.0000660900000000, -0.0003818200000000, 0.0000672900000000 ] - [ 0.0288349000000000, -0.0468950500000000, 0.0531778100000000 ] - [ 0.0004952600000000, -0.0006525500000000, 0.0011585300000000 ] - [ -0.0002699500000000, -0.0005354100000000, -0.0003608200000000 ] - [ 0.0019087700000000, -0.0014958200000000, 0.0016484200000000 ] - [ 0.0027343500000000, -0.0049554000000000, 0.0002680800000000 ] - [ 0.0002193200000000, -0.0007276200000000, 0.0007625600000000 ] - [ 0.0003284900000000, 0.0003211100000000, -0.0012291000000000 ] - [ -0.0017919700000000, -0.0001773600000000, -0.0041468900000000 ] - [ 0.0001277100000000, 0.0032608800000000, -0.0095701500000000 ] - [ 0.0000854500000000, 0.0005353400000000, -0.0010339100000000 ] - [ -0.0000573000000000, 0.0005407300000000, 0.0002339600000000 ] - [ -0.0003462000000000, -0.0000435800000000, -0.0009341100000000 ] - [ -0.0000784800000000, -0.0005104500000000, 0.0011935900000000 ] - [ 0.0006554900000000, 0.0004636400000000, 0.0019873800000000 ] - [ 0.0238217300000000, 0.0926379600000000, 0.1070739200000000 ] - [ 0.0002654600000000, -0.0006090700000000, -0.0003624800000000 ] - [ -0.0004324500000000, 0.0006254800000000, 0.0001030700000000 ] - [ 0.0008414500000000, -0.0003115000000000, 0.0002394600000000 ] - [ -0.0022457400000000, -0.0008202400000000, 0.0027518300000000 ] - [ 0.0026152700000000, -0.0031138300000000, 0.0018783900000000 ] - [ 0.0007709000000000, 0.0009205000000000, -0.0027624700000000 ] - [ -0.0019075800000000, 0.0006445400000000, -0.0026244600000000 ] - [ 0.0009189500000000, -0.0002225900000000, -0.0014404900000000 ] - [ 0.0004535100000000, 0.0008124400000000, -0.0003559500000000 ] - [ 0.0003902400000000, -0.0000991800000000, -0.0000857400000000 ] - [ -0.0006320600000000, 0.0009455300000000, -0.0021762300000000 ] - [ -0.0001441600000000, -0.0012336600000000, -0.0025205400000000 ] - [ -0.0001168900000000, -0.0001714500000000, -0.0006418700000000 ] - [ -0.0000832600000000, -0.0002641800000000, 0.0006109800000000 ] - [ -0.0000486100000000, 0.0002129600000000, -0.0003045400000000 ] - [ -0.0000145400000000, 0.0000245800000000, 0.0013936800000000 ] - [ -0.0351715400000000, -0.0067124400000000, 0.0412289500000000 ] - [ 0.0015611700000000, -0.0010595500000000, -0.0038939700000000 ] - [ -0.0000795400000000, -0.0007103200000000, -0.0004945200000000 ] - [ 0.0005674100000000, -0.0007230100000000, -0.0012288200000000 ] - [ -0.0006987900000000, -0.0006191200000000, -0.0007414400000000 ] - [ -0.0032471600000000, 0.0001613600000000, 0.0018888400000000 ] - [ 0.0033636700000000, 0.0018734100000000, -0.0005451400000000 ] - [ -0.0019082900000000, -0.0008068800000000, 0.0024959200000000 ] - [ 0.0006245200000000, 0.0004324500000000, 0.0002574800000000 ] - [ 0.0001743000000000, 0.0003708100000000, -0.0001211300000000 ] - [ 0.0005216600000000, 0.0007031700000000, 0.0005490800000000 ] - [ 0.0028395800000000, 0.0001829700000000, 0.0019873100000000 ] - [ -0.0016314600000000, -0.0003118700000000, 0.0063056600000000 ] - [ -0.0018433200000000, -0.0010086800000000, -0.0025894200000000 ] - [ 0.0009811300000000, -0.0014224300000000, -0.0032658900000000 ] - [ -0.0003481100000000, 0.0011921400000000, -0.0013312800000000 ] - [ -0.0001339100000000, 0.0004544300000000, 0.0004267200000000 ] - [ 0.0165454000000000, 0.0170182000000000, -0.5031787599999999 ] - [ 0.0003123500000000, 0.0001889400000000, -0.0014500500000000 ] - [ -0.0003909500000000, -0.0000503200000000, 0.0003716900000000 ] - [ -0.0010701800000000, 0.0001547500000000, 0.0008787000000000 ] - [ -0.0008489100000000, 0.0002683800000000, 0.0010786400000000 ] - [ 0.0007539800000000, 0.0018752300000000, 0.0035806200000000 ] - [ 0.0008648700000000, -0.0031341400000000, 0.0077666500000000 ] - [ 0.0004829000000000, 0.0002056900000000, 0.0000385900000000 ] - [ -0.0006782500000000, 0.0005975200000000, -0.0055273500000000 ] - [ -0.0080898300000000, 0.0015373900000000, -0.0065495400000000 ] - [ 0.0009739100000000, 0.0001846000000000, 0.0001961300000000 ] - [ 0.0005082300000000, -0.0001900400000000, 0.0000337800000000 ] - [ -0.0003385500000000, 0.0017423700000000, 0.0042826200000000 ] - [ 0.0010462400000000, -0.0000616600000000, 0.0002576100000000 ] - [ -0.0013224000000000, -0.0003878500000000, 0.0023042800000000 ] - [ 0.0004488700000000, -0.0004389700000000, 0.0031732000000000 ] - [ 0.0010414900000000, -0.0000037600000000, -0.0001565600000000 ] - [ -0.0059489400000000, -0.0067278200000000, 0.0045359200000000 ] - [ -0.0021184800000000, -0.0156791100000000, -0.0140950800000000 ] - [ -0.0005736900000000, 0.0001797100000000, -0.0005873900000000 ] - [ -0.0003574600000000, -0.0001986400000000, 0.0083535300000000 ] - [ -0.0004634400000000, -0.0001410500000000, 0.0006713400000000 ] - [ 0.0000070000000000, -0.0003054200000000, 0.0002114000000000 ] - [ 0.0007640000000000, -0.0010155800000000, 0.0007395200000000 ] - [ 0.0098324600000000, 0.0063387800000000, 0.0079170100000000 ] - [ -0.0002126300000000, 0.0006597600000000, 0.0004497700000000 ] - [ -0.0010023000000000, 0.0007743600000000, -0.0025594000000000 ] - [ -0.0001455100000000, 0.0002363000000000, -0.0024180500000000 ] - [ -0.0002768300000000, -0.0006058500000000, 0.0010402100000000 ] - [ -0.0004934500000000, -0.0004990800000000, 0.0009329900000000 ] - [ -0.0162014200000000, -0.0008062300000000, 0.0139898800000000 ] - [ 0.0012993000000000, -0.0002849400000000, 0.0003076300000000 ] - [ 0.0004930100000000, 0.0003477300000000, -0.0004898600000000 ] - [ -0.0128545500000000, 0.0091501400000000, 0.0104730300000000 ] - [ -0.0010170100000000, 0.0046133100000000, -0.0065823900000000 ] - [ -0.0000989300000000, 0.0001398300000000, -0.0002038300000000 ] - [ -0.0002396900000000, -0.0006357800000000, 0.0029681800000000 ] - [ -0.0000084700000000, -0.0003397600000000, 0.0008452000000000 ] - [ -0.0011140300000000, -0.0003888200000000, 0.0000497500000000 ] - [ 0.0173675700000000, -0.0040149100000000, 0.0159442400000000 ] - [ -0.0005604400000000, -0.0020709500000000, 0.0008567900000000 ] - [ 0.0004148000000000, -0.0002110900000000, -0.0002283400000000 ] - [ 0.0014291300000000, -0.0003262400000000, 0.0058319900000000 ] - [ -0.0006638100000000, -0.0004515800000000, 0.0053194700000000 ] - [ -0.0005996300000000, -0.0007129400000000, -0.0045005700000000 ] - [ 0.0025442100000000, 0.0000576300000000, -0.0049084500000000 ] - [ 0.0100976200000000, -0.0099158800000000, 0.0067874100000000 ] - [ -0.0016888400000000, -0.0004795500000000, -0.0004031300000000 ]- atom: 73 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0006912500000000, -0.0003492400000000, -0.0008661100000000 ] - [ 0.0059799000000000, -0.0069615600000000, -0.0030686400000000 ] - [ 0.0008663700000000, -0.0024512500000000, 0.0028853500000000 ] - [ -0.0003338900000000, -0.0003659300000000, 0.0006967200000000 ] - [ 0.0002000600000000, -0.0001979200000000, -0.0004965200000000 ] - [ -0.0000979700000000, 0.0001329500000000, 0.0003487600000000 ] - [ 0.0010348800000000, 0.0003584000000000, -0.0001420500000000 ] - [ -0.0033192400000000, -0.0011733200000000, 0.0042673400000000 ] - [ 0.0041259500000000, -0.0013881700000000, 0.0050550000000000 ] - [ -0.0003808200000000, 0.0004707800000000, 0.0007119900000000 ] - [ -0.0013368900000000, -0.0007215100000000, -0.0012150900000000 ] - [ 0.0007512700000000, -0.0006419300000000, -0.0005599500000000 ] - [ 0.0008273700000000, -0.0010731000000000, 0.0007499500000000 ] - [ -0.0012122900000000, -0.0008466300000000, 0.0005960600000000 ] - [ -0.0037051200000000, -0.0066277400000000, -0.0003172000000000 ] - [ 0.0012376200000000, -0.0002245700000000, 0.0001380000000000 ] - [ 0.0237871700000000, 0.0420722900000000, -0.2561339400000000 ] - [ -0.0002390900000000, 0.0003973900000000, -0.0000161200000000 ] - [ 0.0002854900000000, 0.0001806800000000, -0.0004964400000000 ] - [ -0.0001698400000000, -0.0000791200000000, 0.0001311600000000 ] - [ -0.0002060900000000, -0.0001988600000000, -0.0004655100000000 ] - [ 0.0014239800000000, 0.0022751800000000, -0.0000349700000000 ] - [ -0.0000750600000000, 0.0005933200000000, 0.0077753100000000 ] - [ -0.0001693900000000, -0.0001322900000000, 0.0009436200000000 ] - [ -0.0287979000000000, 0.0458014300000000, -0.0510428900000000 ] - [ -0.0005406300000000, -0.0003221700000000, 0.0002584500000000 ] - [ 0.0003139600000000, -0.0004401400000000, -0.0010575500000000 ] - [ -0.0018539300000000, 0.0005233400000000, -0.0030675600000000 ] - [ -0.0019554800000000, 0.0035311400000000, 0.0010698800000000 ] - [ 0.0005447700000000, -0.0006797800000000, 0.0005793400000000 ] - [ -0.0002781600000000, 0.0006523000000000, -0.0001850100000000 ] - [ 0.0018389500000000, 0.0011450800000000, 0.0027348800000000 ] - [ 0.0000365300000000, -0.0021579600000000, 0.0082502700000000 ] - [ 0.0000779100000000, 0.0005676500000000, -0.0003263300000000 ] - [ -0.0001079500000000, 0.0005597100000000, 0.0011272100000000 ] - [ 0.0001792400000000, 0.0011415600000000, 0.0022915200000000 ] - [ -0.0000885000000000, -0.0005910900000000, 0.0001665200000000 ] - [ -0.0008133500000000, -0.0015572400000000, -0.0006308200000000 ] - [ -0.0246394400000000, -0.0977077200000000, -0.1097498300000000 ] - [ -0.0001006800000000, -0.0004925100000000, -0.0009993800000000 ] - [ 0.0015974000000000, -0.0020129000000000, -0.0002155300000000 ] - [ 0.0003379600000000, -0.0010999100000000, -0.0003457900000000 ] - [ 0.0010552200000000, -0.0005985400000000, -0.0026506500000000 ] - [ -0.0037632900000000, 0.0016750400000000, -0.0017715400000000 ] - [ -0.0019466700000000, 0.0004972800000000, 0.0028726600000000 ] - [ 0.0007263800000000, 0.0007754400000000, 0.0027365700000000 ] - [ 0.0002608600000000, 0.0016301300000000, 0.0013344200000000 ] - [ 0.0007233300000000, 0.0006006300000000, 0.0002519000000000 ] - [ -0.0000711900000000, -0.0002526800000000, 0.0009947100000000 ] - [ 0.0009507300000000, -0.0012964700000000, 0.0030888000000000 ] - [ -0.0001738100000000, 0.0008790000000000, 0.0016129900000000 ] - [ -0.0002026900000000, -0.0001809000000000, -0.0002671800000000 ] - [ -0.0002326000000000, 0.0006052400000000, -0.0015225500000000 ] - [ -0.0002713700000000, 0.0001381800000000, -0.0006056700000000 ] - [ 0.0003246400000000, 0.0003264500000000, -0.0004848600000000 ] - [ 0.0352457700000000, 0.0070164200000000, -0.0398405600000000 ] - [ -0.0010550200000000, -0.0002129000000000, 0.0037044100000000 ] - [ 0.0005797600000000, -0.0005625400000000, 0.0003020100000000 ] - [ -0.0010694800000000, -0.0005491000000000, 0.0014229400000000 ] - [ 0.0001931600000000, -0.0006496400000000, 0.0009376100000000 ] - [ 0.0027137300000000, 0.0011111400000000, -0.0016991000000000 ] - [ -0.0038213500000000, -0.0005729400000000, 0.0007193300000000 ] - [ 0.0023987700000000, 0.0020728800000000, -0.0026871000000000 ] - [ -0.0001196800000000, 0.0008379100000000, -0.0004508400000000 ] - [ 0.0005925800000000, 0.0010315600000000, 0.0014478500000000 ] - [ 0.0002425100000000, 0.0007029000000000, 0.0007870400000000 ] - [ -0.0036053700000000, 0.0012251200000000, -0.0033170300000000 ] - [ 0.0008568900000000, 0.0017202300000000, -0.0076135000000000 ] - [ 0.0010786900000000, -0.0003964900000000, 0.0012494500000000 ] - [ -0.0017516300000000, 0.0000209200000000, 0.0019258400000000 ] - [ 0.0003034900000000, -0.0002177400000000, 0.0027565400000000 ] - [ 0.0000852500000000, 0.0005212400000000, 0.0009900000000000 ] - [ -0.0122313800000000, -0.0088135100000000, 0.4847302000000000 ] - [ 0.0007839000000000, -0.0003894600000000, 0.0001552600000000 ] - [ -0.0006993300000000, -0.0001504400000000, 0.0009237000000000 ] - [ -0.0000312200000000, -0.0003555000000000, 0.0004266900000000 ] - [ -0.0002447400000000, -0.0000638600000000, 0.0002121800000000 ] - [ -0.0018463700000000, -0.0016662500000000, -0.0022845100000000 ] - [ 0.0002246600000000, 0.0033402600000000, -0.0090815600000000 ] - [ 0.0006102900000000, -0.0000039300000000, -0.0013295600000000 ] - [ -0.0009400200000000, -0.0006055700000000, 0.0053728600000000 ] - [ 0.0064171200000000, -0.0015594100000000, 0.0063559700000000 ] - [ 0.0006733000000000, -0.0001869900000000, -0.0000327100000000 ] - [ 0.0011376600000000, 0.0001818400000000, 0.0001161900000000 ] - [ 0.0019803400000000, -0.0017296100000000, -0.0041251500000000 ] - [ 0.0006030300000000, 0.0000724000000000, -0.0001148600000000 ] - [ -0.0003251800000000, 0.0003934400000000, -0.0024486300000000 ] - [ -0.0020941900000000, 0.0004412500000000, -0.0033207300000000 ] - [ -0.0001376800000000, 0.0003483900000000, 0.0000722400000000 ] - [ 0.0068989100000000, 0.0071358900000000, -0.0046028300000000 ] - [ 0.0012177400000000, 0.0160437500000000, 0.0141050400000000 ] - [ -0.0003275500000000, 0.0001654400000000, 0.0006771300000000 ] - [ -0.0005512900000000, -0.0001440900000000, -0.0083153100000000 ] - [ -0.0004383400000000, -0.0002031400000000, -0.0005804000000000 ] - [ 0.0008957700000000, -0.0000380200000000, -0.0003052700000000 ] - [ 0.0001350200000000, 0.0006744600000000, -0.0008344500000000 ] - [ -0.0088244000000000, -0.0055362100000000, -0.0074264900000000 ] - [ 0.0012559800000000, 0.0001932000000000, 0.0000339200000000 ] - [ -0.0000406000000000, 0.0000771200000000, 0.0020703800000000 ] - [ -0.0009005000000000, 0.0006137300000000, 0.0019283300000000 ] - [ -0.0007675300000000, -0.0002453100000000, -0.0015145200000000 ] - [ -0.0005477700000000, -0.0003534800000000, -0.0014069700000000 ] - [ 0.0172088100000000, -0.0000774400000000, -0.0134559000000000 ] - [ -0.0002526200000000, -0.0005701100000000, 0.0001669800000000 ] - [ -0.0005103100000000, 0.0001343200000000, -0.0002310400000000 ] - [ 0.0129472900000000, -0.0087879500000000, -0.0112214600000000 ] - [ 0.0010399000000000, -0.0041117400000000, 0.0072694100000000 ] - [ 0.0001182300000000, 0.0003429600000000, 0.0009274800000000 ] - [ 0.0002585400000000, 0.0001630900000000, -0.0022407200000000 ] - [ 0.0000286000000000, -0.0001432800000000, -0.0001171700000000 ] - [ 0.0010971300000000, -0.0000953900000000, -0.0007802600000000 ] - [ -0.0173467400000000, 0.0034867200000000, -0.0165751700000000 ] - [ -0.0000181300000000, 0.0019918100000000, -0.0023511800000000 ] - [ -0.0009910300000000, 0.0001284100000000, -0.0012609600000000 ] - [ -0.0008711300000000, 0.0002473300000000, -0.0043610300000000 ] - [ 0.0012750900000000, 0.0003783400000000, -0.0038425600000000 ] - [ 0.0011861100000000, 0.0008020900000000, 0.0059713700000000 ] - [ -0.0019630500000000, 0.0000343400000000, 0.0063731400000000 ] - [ -0.0107808800000000, 0.0100714500000000, -0.0082294200000000 ] - [ 0.0011071400000000, 0.0005622500000000, -0.0010662500000000 ]- atom: 81 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0065375600000000, -0.0035384300000000, -0.0005360700000000 ] - [ -0.0020890100000000, 0.0000583900000000, -0.0004544900000000 ] - [ -0.0017723100000000, -0.0009622300000000, 0.0018680800000000 ] - [ 0.0000515300000000, 0.0013909800000000, -0.0017574900000000 ] - [ -0.0011935400000000, 0.0004016300000000, -0.0000301500000000 ] - [ -0.0000711400000000, 0.0001311300000000, 0.0014660800000000 ] - [ 0.0061494400000000, 0.0013207100000000, -0.0067465900000000 ] - [ -0.0020437700000000, 0.0001485800000000, -0.0001451700000000 ] - [ 0.0006719500000000, 0.0005526500000000, 0.0059410300000000 ] - [ -0.0018687000000000, 0.0004840500000000, -0.0015406600000000 ] - [ 0.0016739600000000, -0.0003764300000000, -0.0007038200000000 ] - [ -0.0017798000000000, 0.0001683500000000, -0.0003153700000000 ] - [ 0.0032660800000000, -0.0014042400000000, 0.0040312900000000 ] - [ -0.0021147200000000, -0.0000127400000000, -0.0007239200000000 ] - [ -0.0000604600000000, 0.0024853800000000, -0.0027355800000000 ] - [ -0.0015502000000000, -0.0015924300000000, 0.0007098900000000 ] - [ -0.0036094700000000, 0.0010239000000000, -0.0012465300000000 ] - [ -0.0101905600000000, -0.0041662400000000, 0.0120998800000000 ] - [ 0.0016696400000000, 0.0012603400000000, -0.0005723200000000 ] - [ -0.0012463200000000, 0.0001555800000000, -0.0002879200000000 ] - [ 0.0026704000000000, 0.0007830900000000, 0.0006757700000000 ] - [ -0.0014369600000000, -0.0002960400000000, -0.0007666600000000 ] - [ -0.0014968600000000, -0.0000044400000000, 0.0012190600000000 ] - [ 0.0002423200000000, -0.0009529600000000, -0.0011748500000000 ] - [ -0.0055671000000000, -0.0016777300000000, 0.0013525000000000 ] - [ -0.0143674500000000, 0.0080673700000000, -0.0030721800000000 ] - [ 0.0049870700000000, 0.0031170300000000, 0.0007877800000000 ] - [ -0.0017039200000000, -0.0009392800000000, -0.0011187000000000 ] - [ 0.0000252600000000, -0.0017020600000000, -0.0015319400000000 ] - [ -0.0007553300000000, 0.0001575200000000, 0.0016576500000000 ] - [ 0.0017314300000000, 0.0005924600000000, -0.0012477600000000 ] - [ -0.0013076000000000, 0.0008431300000000, -0.0011271100000000 ] - [ -0.0007192200000000, 0.0008534800000000, -0.0009277400000000 ] - [ 0.0008860800000000, -0.0000816400000000, -0.0000349000000000 ] - [ 0.0012719400000000, 0.0008287300000000, 0.0014011800000000 ] - [ -0.0012435900000000, 0.0003708400000000, 0.0004753700000000 ] - [ 0.0041136800000000, 0.0016686800000000, 0.0005411100000000 ] - [ -0.0019289800000000, -0.0005766600000000, 0.0005601700000000 ] - [ -0.0034480800000000, 0.0008857300000000, -0.0000491800000000 ] - [ -0.0123040300000000, -0.0120300000000000, -0.0047539400000000 ] - [ -0.0006041700000000, -0.0035173500000000, 0.0004997600000000 ] - [ -0.0004532400000000, 0.0008981200000000, -0.0002110700000000 ] - [ 0.0548804700000000, -0.0533296600000000, -0.0252685700000000 ] - [ -0.0029873600000000, -0.0007117200000000, 0.0002826800000000 ] - [ 0.0012757300000000, 0.0007486000000000, -0.0003310600000000 ] - [ -0.0019166500000000, 0.0003491100000000, 0.0001167400000000 ] - [ 0.0008972400000000, 0.0000688500000000, -0.0005677300000000 ] - [ 0.0001148700000000, 0.0011448000000000, 0.0002734900000000 ] - [ 0.0025971200000000, -0.0005217700000000, 0.0004155500000000 ] - [ -0.0019482900000000, -0.0000761700000000, 0.0003798700000000 ] - [ -0.0016869700000000, -0.0003292900000000, -0.0006673700000000 ] - [ 0.0007520800000000, 0.0001809300000000, -0.0004374000000000 ] - [ -0.0027249000000000, 0.0001275900000000, -0.0001487300000000 ] - [ 0.0016140500000000, -0.0000630000000000, -0.0007738200000000 ] - [ 0.1661329800000000, -0.0134419100000000, 0.0406641200000000 ] - [ -0.0051820000000000, 0.0002112800000000, 0.0004604400000000 ] - [ 0.0006055700000000, -0.0007784300000000, -0.0000134500000000 ] - [ -0.0004461300000000, -0.0004391900000000, 0.0001673300000000 ] - [ 0.0012108000000000, -0.0010394800000000, -0.0005301400000000 ] - [ -0.0013373800000000, -0.0004970100000000, 0.0003869300000000 ] - [ 0.0645459900000000, 0.0609205700000000, -0.0388044300000000 ] - [ -0.0039993500000000, 0.0000389500000000, 0.0007406600000000 ] - [ -0.0008082800000000, 0.0024014200000000, 0.0006116500000000 ] - [ -0.0010844000000000, -0.0000084500000000, 0.0001660200000000 ] - [ 0.0003521800000000, 0.0006244400000000, 0.0019602700000000 ] - [ -0.0000118900000000, 0.0006668600000000, 0.0001289200000000 ] - [ 0.0430556100000000, 0.0026691500000000, 0.0170849700000000 ] - [ -0.0026574700000000, 0.0005938400000000, -0.0006932900000000 ] - [ 0.0026020600000000, -0.0008639100000000, -0.0001584800000000 ] - [ -0.0021534400000000, -0.0008326200000000, -0.0010343100000000 ] - [ -0.0005547700000000, 0.0004225800000000, 0.0004088800000000 ] - [ 0.0000684800000000, 0.0001345200000000, 0.0005050100000000 ] - [ 0.0099384300000000, -0.0022227000000000, -0.0003196100000000 ] - [ 0.0576491400000000, 0.0061157000000000, -0.0068134800000000 ] - [ -0.0030513600000000, -0.0016478000000000, 0.0007407100000000 ] - [ 0.0021070000000000, 0.0001629600000000, 0.0003821200000000 ] - [ -0.0025491200000000, 0.0002545700000000, -0.0005548700000000 ] - [ 0.0015340200000000, -0.0000757000000000, 0.0009094500000000 ] - [ 0.0023459200000000, -0.0002988400000000, -0.0011033600000000 ] - [ -0.0011877400000000, 0.0014445700000000, 0.0005947200000000 ] - [ -0.3533841400000000, 0.0034157100000000, -0.0055975300000000 ] - [ 0.0042974500000000, 0.0006259900000000, -0.0000652200000000 ] - [ 0.0025440200000000, 0.0007984000000000, -0.0015500800000000 ] - [ 0.0005404500000000, -0.0004308000000000, 0.0006688700000000 ] - [ 0.0013330600000000, 0.0004687600000000, 0.0021579700000000 ] - [ 0.0010735900000000, -0.0005391100000000, -0.0010800900000000 ] - [ -0.0034428600000000, 0.0004233500000000, -0.0002263500000000 ] - [ 0.0012620900000000, 0.0001813900000000, 0.0003270900000000 ] - [ -0.0100199200000000, -0.0128257100000000, 0.0094282400000000 ] - [ 0.0037422400000000, 0.0001950500000000, -0.0005189400000000 ] - [ 0.0020231300000000, -0.0014429300000000, 0.0009597000000000 ] - [ -0.0002801900000000, 0.0061886000000000, -0.0024397000000000 ] - [ 0.0014362700000000, -0.0003524800000000, -0.0007331400000000 ] - [ -0.0004775800000000, -0.0003989700000000, 0.0018743700000000 ] - [ -0.0015588000000000, -0.0002922400000000, -0.0002083700000000 ] - [ 0.0022204200000000, 0.0000085100000000, 0.0000760900000000 ] - [ 0.0027431700000000, -0.0035687100000000, -0.0048950800000000 ] - [ 0.0043950200000000, 0.0019703000000000, 0.0027574900000000 ] - [ -0.0093812400000000, 0.0056456000000000, 0.0039833400000000 ] - [ 0.0020777800000000, -0.0000926800000000, -0.0004948400000000 ] - [ -0.0026470800000000, 0.0000957000000000, -0.0007686200000000 ] - [ 0.0011952100000000, -0.0004625600000000, -0.0000238700000000 ] - [ 0.0031968600000000, -0.0014080400000000, 0.0096986700000000 ] - [ 0.0042759300000000, -0.0003695500000000, -0.0022499600000000 ] - [ -0.0080909900000000, 0.0133226100000000, 0.0107732200000000 ] - [ 0.0028577100000000, 0.0000224500000000, -0.0010241200000000 ] - [ 0.0024474500000000, 0.0020263500000000, 0.0015937000000000 ] - [ 0.0004577400000000, -0.0047729900000000, -0.0018824600000000 ] - [ 0.0011255000000000, 0.0001189200000000, -0.0001087100000000 ] - [ -0.0007190700000000, -0.0007864300000000, 0.0008823700000000 ] - [ -0.0051345400000000, 0.0013343700000000, -0.0098550600000000 ] - [ 0.0026689300000000, -0.0003400600000000, 0.0003308600000000 ] - [ -0.0011640400000000, -0.0013502800000000, 0.0009987400000000 ] - [ 0.0012188100000000, 0.0003406800000000, -0.0013559600000000 ] - [ -0.0075979600000000, -0.0015333800000000, -0.0014807900000000 ] - [ 0.0040449800000000, -0.0001323500000000, 0.0016372300000000 ] - [ -0.0084952800000000, -0.0114486800000000, 0.0084303800000000 ] - [ 0.0043761700000000, 0.0004348300000000, 0.0006245900000000 ] - [ 0.0111728500000000, 0.0110605200000000, -0.0160349000000000 ] - [ 0.0066528100000000, -0.0030507400000000, 0.0047559500000000 ]- atom: 81 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0061943800000000, 0.0030609300000000, -0.0004554700000000 ] - [ 0.0024764600000000, -0.0005436200000000, -0.0005456400000000 ] - [ 0.0013902600000000, 0.0004641000000000, -0.0008598800000000 ] - [ -0.0004531000000000, -0.0018843000000000, 0.0027549800000000 ] - [ 0.0008116700000000, 0.0000889400000000, 0.0010260300000000 ] - [ -0.0003237300000000, 0.0003632400000000, -0.0004681600000000 ] - [ -0.0057847200000000, -0.0008351300000000, 0.0057581000000000 ] - [ 0.0024318000000000, 0.0003409500000000, -0.0008488700000000 ] - [ -0.0000041300000000, 0.0000247200000000, -0.0053509300000000 ] - [ 0.0025092500000000, 0.0001083700000000, 0.0021287300000000 ] - [ -0.0023149300000000, 0.0009867500000000, 0.0001240700000000 ] - [ 0.0011353000000000, 0.0004311300000000, -0.0002731600000000 ] - [ -0.0039127200000000, 0.0008166800000000, -0.0046711500000000 ] - [ 0.0014692700000000, -0.0005861900000000, 0.0001362500000000 ] - [ 0.0007300900000000, -0.0030757000000000, 0.0033348200000000 ] - [ 0.0021953200000000, 0.0010051400000000, -0.0001250600000000 ] - [ 0.0033423400000000, -0.0005172900000000, 0.0022408300000000 ] - [ 0.0100173300000000, 0.0046784800000000, -0.0111170600000000 ] - [ -0.0014350300000000, -0.0007610400000000, -0.0004439600000000 ] - [ 0.0014889700000000, 0.0003432300000000, -0.0007213000000000 ] - [ -0.0024432200000000, -0.0012792900000000, -0.0016913800000000 ] - [ 0.0016769800000000, -0.0002051900000000, -0.0002462300000000 ] - [ 0.0012620000000000, -0.0004923200000000, -0.0002047800000000 ] - [ -0.0004912100000000, 0.0004544900000000, 0.0021835900000000 ] - [ 0.0054954700000000, 0.0006626700000000, 0.0000992000000000 ] - [ 0.0142783600000000, -0.0090170800000000, 0.0045185700000000 ] - [ -0.0049650100000000, -0.0041184100000000, -0.0022107900000000 ] - [ 0.0017547100000000, -0.0000321500000000, -0.0002945600000000 ] - [ 0.0007452900000000, 0.0002945200000000, 0.0028565900000000 ] - [ 0.0015090300000000, -0.0015618800000000, -0.0003274700000000 ] - [ -0.0016896900000000, 0.0003860100000000, -0.0001658700000000 ] - [ 0.0013572600000000, 0.0001297200000000, -0.0002889800000000 ] - [ 0.0008822300000000, 0.0002557800000000, -0.0004345500000000 ] - [ -0.0007338100000000, 0.0011905800000000, -0.0013291800000000 ] - [ -0.0014366600000000, 0.0002786300000000, -0.0000490400000000 ] - [ 0.0010845800000000, 0.0007354100000000, 0.0008793700000000 ] - [ -0.0042918200000000, -0.0027743500000000, 0.0008210700000000 ] - [ 0.0017683600000000, -0.0005335700000000, 0.0007967500000000 ] - [ 0.0035899500000000, -0.0019716900000000, -0.0012959400000000 ] - [ 0.0124858700000000, 0.0109086800000000, 0.0034280500000000 ] - [ 0.0018082400000000, 0.0021282700000000, -0.0005923600000000 ] - [ 0.0016211000000000, -0.0023075500000000, 0.0001116900000000 ] - [ -0.0566786700000000, 0.0515068300000000, 0.0251832700000000 ] - [ 0.0018118800000000, -0.0006958800000000, -0.0001795600000000 ] - [ -0.0024463500000000, 0.0006611900000000, 0.0004325600000000 ] - [ 0.0007433000000000, 0.0010626500000000, -0.0000175200000000 ] - [ 0.0002793400000000, 0.0013420700000000, 0.0004626100000000 ] - [ 0.0010553900000000, 0.0002674200000000, -0.0003756500000000 ] - [ -0.0022860000000000, 0.0001739100000000, 0.0004802300000000 ] - [ 0.0022679700000000, -0.0002699500000000, 0.0005163000000000 ] - [ 0.0013751000000000, -0.0000190900000000, -0.0002310900000000 ] - [ -0.0010771500000000, -0.0005291700000000, -0.0004619100000000 ] - [ 0.0024267300000000, 0.0002226500000000, -0.0007470100000000 ] - [ -0.0019480400000000, 0.0004124900000000, -0.0001225700000000 ] - [ -0.1780164500000000, 0.0151748000000000, -0.0439209500000000 ] - [ 0.0054770600000000, 0.0001347900000000, 0.0004399800000000 ] - [ -0.0000949300000000, -0.0004958800000000, -0.0001866500000000 ] - [ 0.0009462400000000, -0.0008376600000000, -0.0003647200000000 ] - [ -0.0017111800000000, -0.0002358900000000, 0.0007220000000000 ] - [ 0.0008349400000000, -0.0007754900000000, -0.0001926500000000 ] - [ -0.0653751500000000, -0.0583624500000000, 0.0382402000000000 ] - [ 0.0034871500000000, 0.0012301000000000, -0.0005413400000000 ] - [ 0.0013428900000000, -0.0011405600000000, -0.0008157600000000 ] - [ 0.0015820000000000, 0.0012887900000000, -0.0003578400000000 ] - [ 0.0004093900000000, 0.0007764700000000, -0.0006354400000000 ] - [ 0.0007629700000000, 0.0007343200000000, 0.0012021900000000 ] - [ -0.0442370600000000, -0.0013858200000000, -0.0200092400000000 ] - [ 0.0019004000000000, 0.0008042000000000, -0.0006344200000000 ] - [ -0.0033569600000000, -0.0005378200000000, -0.0011797500000000 ] - [ 0.0013972600000000, -0.0005649800000000, -0.0002958700000000 ] - [ 0.0005095900000000, 0.0005554400000000, 0.0010072600000000 ] - [ -0.0001206400000000, 0.0008435400000000, 0.0009068500000000 ] - [ -0.0087849500000000, 0.0019973400000000, -0.0009720800000000 ] - [ -0.0569858500000000, -0.0062478300000000, 0.0053035400000000 ] - [ 0.0019790400000000, 0.0014399700000000, 0.0005458200000000 ] - [ -0.0032006200000000, -0.0003726900000000, 0.0009026100000000 ] - [ 0.0014743700000000, -0.0000493200000000, 0.0018490500000000 ] - [ -0.0026220700000000, 0.0002882800000000, 0.0003805100000000 ] - [ -0.0012669900000000, 0.0005013800000000, -0.0001832600000000 ] - [ 0.0022798100000000, -0.0012381900000000, -0.0018786400000000 ] - [ 0.3657839500000000, -0.0056475300000000, 0.0124171500000000 ] - [ -0.0059222000000000, -0.0006356900000000, -0.0000746000000000 ] - [ -0.0009210900000000, -0.0008129500000000, 0.0016928600000000 ] - [ 0.0011080800000000, 0.0004169900000000, -0.0005337500000000 ] - [ 0.0002954900000000, -0.0004609700000000, -0.0020144300000000 ] - [ 0.0005728000000000, 0.0005517400000000, 0.0012203000000000 ] - [ 0.0018072400000000, -0.0004104200000000, 0.0000961800000000 ] - [ -0.0029005000000000, -0.0001719000000000, -0.0004630600000000 ] - [ 0.0109743600000000, 0.0131955300000000, -0.0095437700000000 ] - [ -0.0028328700000000, 0.0001576300000000, 0.0004173500000000 ] - [ -0.0029326200000000, 0.0017653400000000, -0.0008605200000000 ] - [ -0.0006164300000000, -0.0058688300000000, 0.0025321200000000 ] - [ -0.0023444300000000, 0.0000078700000000, 0.0008242400000000 ] - [ -0.0004163600000000, 0.0000555600000000, -0.0017776400000000 ] - [ 0.0024653700000000, -0.0000563300000000, 0.0001162400000000 ] - [ -0.0013213800000000, -0.0003568500000000, -0.0001679500000000 ] - [ -0.0017294500000000, 0.0043968900000000, 0.0053430900000000 ] - [ -0.0033532500000000, -0.0011193800000000, -0.0022885800000000 ] - [ 0.0083114300000000, -0.0048704800000000, -0.0045067000000000 ] - [ -0.0031173600000000, 0.0009504900000000, 0.0000182200000000 ] - [ 0.0016016200000000, -0.0009574600000000, 0.0002984900000000 ] - [ -0.0022361100000000, -0.0003933600000000, -0.0004514700000000 ] - [ -0.0021627700000000, 0.0005333100000000, -0.0091296200000000 ] - [ -0.0032457300000000, -0.0004844800000000, 0.0027423000000000 ] - [ 0.0081266800000000, -0.0128712600000000, -0.0115394600000000 ] - [ -0.0028697200000000, 0.0004557300000000, 0.0002871000000000 ] - [ -0.0024350400000000, -0.0015233300000000, -0.0008607600000000 ] - [ -0.0004365500000000, 0.0052651500000000, 0.0026060400000000 ] - [ -0.0011133900000000, -0.0006000400000000, 0.0008368400000000 ] - [ 0.0007452200000000, 0.0003025300000000, -0.0001520600000000 ] - [ 0.0051480700000000, -0.0018365300000000, 0.0091903900000000 ] - [ -0.0026802500000000, -0.0001453400000000, -0.0010459500000000 ] - [ 0.0005740700000000, 0.0012687100000000, -0.0024851100000000 ] - [ -0.0017912600000000, -0.0004292300000000, -0.0001243000000000 ] - [ 0.0081685800000000, 0.0014646500000000, 0.0029827300000000 ] - [ -0.0034631200000000, 0.0000521100000000, -0.0001520500000000 ] - [ 0.0090506100000000, 0.0116215100000000, -0.0069891500000000 ] - [ -0.0037940800000000, -0.0003589700000000, 0.0008581800000000 ] - [ -0.0118504300000000, -0.0108932400000000, 0.0144699000000000 ] - [ -0.0072242700000000, 0.0031422000000000, -0.0062467000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0059251600000000, -0.0051549800000000, 0.0076778400000000 ] - [ 0.0006971200000000, -0.0001134200000000, -0.0003700700000000 ] - [ -0.0016340500000000, -0.0008138200000000, 0.0017448200000000 ] - [ 0.0019730200000000, -0.0004491100000000, 0.0011147200000000 ] - [ 0.0010088900000000, -0.0021308900000000, 0.0002601900000000 ] - [ -0.0010504300000000, -0.0012099200000000, 0.0005406500000000 ] - [ 0.0016895300000000, 0.0051885400000000, 0.0002218400000000 ] - [ -0.0001611800000000, 0.0008704200000000, -0.0004585700000000 ] - [ -0.0008020100000000, 0.0083331100000000, 0.0053252300000000 ] - [ 0.0003409900000000, 0.0008341700000000, 0.0003325900000000 ] - [ 0.0000018300000000, -0.0062099900000000, 0.0000600800000000 ] - [ -0.0004982700000000, -0.0000276500000000, -0.0003564800000000 ] - [ 0.0009149000000000, -0.0029730400000000, 0.0082940100000000 ] - [ -0.0003087000000000, -0.0003082300000000, -0.0001603000000000 ] - [ 0.0049130200000000, -0.0041162600000000, 0.0079055300000000 ] - [ -0.0001808000000000, -0.0002082300000000, 0.0004033600000000 ] - [ 0.0004087500000000, 0.0029112500000000, 0.0001832200000000 ] - [ 0.0001236800000000, 0.0020939300000000, -0.0004585400000000 ] - [ 0.0002196500000000, -0.0032836400000000, -0.0009809300000000 ] - [ 0.0000054500000000, -0.0002822600000000, -0.0006265700000000 ] - [ 0.0018232800000000, -0.0015713200000000, -0.0029634200000000 ] - [ -0.0003135800000000, -0.0005524500000000, -0.0007109700000000 ] - [ 0.0011197100000000, 0.0005494100000000, -0.0006377300000000 ] - [ -0.0018942600000000, 0.0000585600000000, -0.0009137100000000 ] - [ -0.0097262200000000, 0.0034073600000000, -0.0023424100000000 ] - [ -0.0007807700000000, 0.0005696900000000, 0.0003187900000000 ] - [ -0.0051894600000000, -0.0114757800000000, -0.0035510800000000 ] - [ 0.0000391600000000, -0.0009522900000000, -0.0008826200000000 ] - [ -0.0012207100000000, -0.0013025500000000, -0.0022904900000000 ] - [ 0.0006050800000000, -0.0007320300000000, 0.0005617300000000 ] - [ 0.0005776100000000, 0.0011524100000000, -0.0001078400000000 ] - [ -0.0002209700000000, 0.0007003800000000, -0.0006784400000000 ] - [ 0.0000425500000000, 0.0017050300000000, -0.0005712000000000 ] - [ -0.0000847300000000, 0.0014181800000000, -0.0008604800000000 ] - [ 0.0001749900000000, -0.0009512300000000, 0.0008634700000000 ] - [ -0.0003016500000000, 0.0001108300000000, 0.0007114000000000 ] - [ 0.0032858600000000, -0.0087595900000000, 0.0018345800000000 ] - [ -0.0003907400000000, -0.0013394400000000, 0.0007546200000000 ] - [ 0.0040669500000000, 0.0023121100000000, -0.0006210300000000 ] - [ 0.0013385600000000, 0.0035270400000000, 0.0000841300000000 ] - [ -0.0026868400000000, -0.0113749500000000, -0.0001227200000000 ] - [ 0.0004939400000000, -0.0012496400000000, -0.0001242100000000 ] - [ -0.0549744100000000, 0.1857739700000000, 0.0645728600000000 ] - [ -0.0008546200000000, -0.0002223000000000, 0.0000072500000000 ] - [ -0.0000940400000000, 0.0032658200000000, 0.0000502800000000 ] - [ -0.0006080600000000, 0.0010390300000000, 0.0001616000000000 ] - [ 0.0006762200000000, -0.0012677300000000, 0.0000927200000000 ] - [ 0.0006107300000000, 0.0002151500000000, 0.0001295800000000 ] - [ -0.0004991200000000, 0.0003024200000000, 0.0008218700000000 ] - [ 0.0005262100000000, -0.0000675100000000, 0.0003006700000000 ] - [ -0.0011115500000000, -0.0004646400000000, -0.0007082500000000 ] - [ 0.0005332200000000, -0.0001945200000000, -0.0007091700000000 ] - [ 0.0005747300000000, -0.0021833200000000, -0.0007652600000000 ] - [ -0.0008748800000000, -0.0020260500000000, -0.0005190100000000 ] - [ -0.0154703300000000, 0.0301380000000000, -0.0049386600000000 ] - [ -0.0012263100000000, 0.0019981900000000, 0.0003790700000000 ] - [ -0.0002029300000000, -0.0002709000000000, 0.0006926600000000 ] - [ 0.0003432100000000, -0.0004821200000000, -0.0000030700000000 ] - [ -0.0002852200000000, -0.0015433600000000, 0.0006520100000000 ] - [ -0.0003290700000000, -0.0007262800000000, 0.0001986700000000 ] - [ 0.0614456800000000, 0.1601847400000000, -0.0758859100000000 ] - [ -0.0004669800000000, 0.0007269600000000, -0.0000137400000000 ] - [ 0.0054989500000000, -0.0094037900000000, -0.0030932500000000 ] - [ -0.0000035300000000, 0.0004292500000000, -0.0003884300000000 ] - [ 0.0005965900000000, -0.0025224500000000, 0.0001151800000000 ] - [ 0.0002880200000000, 0.0003502700000000, 0.0005336800000000 ] - [ 0.0010653000000000, 0.0425314700000000, 0.0246171500000000 ] - [ -0.0005271200000000, 0.0009132000000000, -0.0008353100000000 ] - [ -0.0003909300000000, -0.0013716000000000, -0.0048005500000000 ] - [ -0.0003210300000000, -0.0006827400000000, -0.0006832500000000 ] - [ 0.0008081300000000, 0.0001013000000000, 0.0015512800000000 ] - [ -0.0004349000000000, 0.0000043600000000, 0.0006585200000000 ] - [ 0.0013910400000000, -0.0103178700000000, -0.0000184900000000 ] - [ -0.0010447100000000, -0.0018605900000000, 0.0008726400000000 ] - [ 0.0013330000000000, 0.0109403400000000, 0.0004770600000000 ] - [ -0.0007902700000000, 0.0008868200000000, 0.0008240900000000 ] - [ -0.0012062900000000, 0.0004208300000000, 0.0023793200000000 ] - [ 0.0003343700000000, 0.0003580900000000, 0.0005934800000000 ] - [ 0.0000199900000000, -0.0007122300000000, -0.0002591400000000 ] - [ 0.0015768100000000, -0.0001310300000000, -0.0001797200000000 ] - [ -0.0012791600000000, -0.4752474900000000, -0.0036473200000000 ] - [ -0.0001877400000000, -0.0004314100000000, 0.0002454600000000 ] - [ 0.0000129200000000, 0.0114749400000000, 0.0008033800000000 ] - [ 0.0012323500000000, 0.0006502900000000, 0.0003621900000000 ] - [ 0.0012821600000000, 0.0014886300000000, 0.0019699900000000 ] - [ 0.0002701200000000, 0.0003338700000000, -0.0000281600000000 ] - [ -0.0012316800000000, -0.0023656600000000, 0.0019384700000000 ] - [ -0.0009947400000000, -0.0002308800000000, -0.0001347000000000 ] - [ -0.0127467500000000, 0.0060439600000000, -0.0112244400000000 ] - [ 0.0019649700000000, 0.0002849500000000, -0.0002603400000000 ] - [ -0.0045239500000000, 0.0011421900000000, -0.0005552000000000 ] - [ 0.0039716100000000, 0.0007063200000000, 0.0007686800000000 ] - [ 0.0009211900000000, -0.0015098300000000, -0.0008193900000000 ] - [ -0.0009651100000000, -0.0012586000000000, -0.0004005200000000 ] - [ 0.0010213000000000, 0.0040290000000000, -0.0020117500000000 ] - [ 0.0001178900000000, 0.0003094000000000, -0.0002325900000000 ] - [ -0.0091198300000000, 0.0010179500000000, 0.0110787200000000 ] - [ 0.0010671900000000, 0.0002775700000000, 0.0001408100000000 ] - [ 0.0006815100000000, 0.0263281500000000, 0.0154417200000000 ] - [ -0.0002914900000000, 0.0006039000000000, -0.0001319900000000 ] - [ -0.0006033700000000, 0.0034350200000000, -0.0009819300000000 ] - [ -0.0003458600000000, -0.0000719800000000, -0.0003329700000000 ] - [ 0.0003137100000000, -0.0056287800000000, -0.0022809900000000 ] - [ 0.0008143000000000, -0.0008800800000000, 0.0001951900000000 ] - [ 0.0132250600000000, 0.0000615500000000, 0.0132206300000000 ] - [ -0.0007603900000000, -0.0001246100000000, -0.0001444000000000 ] - [ 0.0023282300000000, 0.0029125600000000, 0.0019944000000000 ] - [ -0.0021050000000000, 0.0014491100000000, 0.0009602200000000 ] - [ 0.0001276400000000, 0.0013524200000000, -0.0001486700000000 ] - [ -0.0001782700000000, 0.0007065700000000, 0.0001078500000000 ] - [ 0.0003143200000000, -0.0054073300000000, -0.0043358600000000 ] - [ -0.0000599800000000, -0.0007379300000000, -0.0004127500000000 ] - [ -0.0014289400000000, 0.0058532200000000, -0.0036879000000000 ] - [ 0.0004746500000000, 0.0004455100000000, -0.0010058500000000 ] - [ -0.0017390600000000, -0.0047650000000000, -0.0040047100000000 ] - [ 0.0005164900000000, -0.0004605800000000, 0.0005248900000000 ] - [ -0.0032615400000000, 0.0455207100000000, -0.0179952900000000 ] - [ 0.0004164100000000, 0.0000914100000000, 0.0010995200000000 ] - [ 0.0234027900000000, 0.0104892000000000, -0.0211499800000000 ] - [ -0.0010538600000000, -0.0002171500000000, -0.0002078300000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0063258300000000, 0.0047082100000000, -0.0087219800000000 ] - [ -0.0003075300000000, -0.0003820100000000, -0.0006276300000000 ] - [ 0.0012425300000000, 0.0003247700000000, -0.0007486000000000 ] - [ -0.0023553500000000, -0.0000358900000000, -0.0001197000000000 ] - [ -0.0014073600000000, 0.0026250800000000, 0.0007394500000000 ] - [ 0.0006770600000000, 0.0017034200000000, 0.0004537000000000 ] - [ -0.0013021300000000, -0.0046931000000000, -0.0012383700000000 ] - [ 0.0005514200000000, -0.0003784500000000, -0.0005394300000000 ] - [ 0.0014377800000000, -0.0077574400000000, -0.0047503000000000 ] - [ 0.0002997800000000, -0.0002347500000000, 0.0002518000000000 ] - [ -0.0006625600000000, 0.0067981200000000, -0.0006643100000000 ] - [ -0.0001405800000000, 0.0006258300000000, -0.0002299100000000 ] - [ -0.0015897300000000, 0.0023912700000000, -0.0089309200000000 ] - [ -0.0003309900000000, -0.0002884000000000, -0.0004273700000000 ] - [ -0.0042800400000000, 0.0035191500000000, -0.0073234400000000 ] - [ 0.0008256300000000, -0.0003967900000000, 0.0001837800000000 ] - [ -0.0006395900000000, -0.0024200500000000, 0.0008356500000000 ] - [ -0.0004017100000000, -0.0016224700000000, 0.0015081200000000 ] - [ 0.0000229400000000, 0.0037816500000000, -0.0000167800000000 ] - [ 0.0002367500000000, 0.0007791000000000, -0.0003903700000000 ] - [ -0.0015631600000000, 0.0010825900000000, 0.0019185300000000 ] - [ 0.0005527700000000, 0.0000582400000000, -0.0003040500000000 ] - [ -0.0013545200000000, -0.0010478700000000, 0.0016474400000000 ] - [ 0.0016570400000000, -0.0005598600000000, 0.0019278000000000 ] - [ 0.0096914400000000, -0.0043829400000000, 0.0037836100000000 ] - [ 0.0006959100000000, -0.0015135400000000, 0.0010916900000000 ] - [ 0.0052326000000000, 0.0105118900000000, 0.0021487600000000 ] - [ 0.0000099000000000, -0.0000269100000000, -0.0005316200000000 ] - [ 0.0019555700000000, -0.0000861000000000, 0.0035954400000000 ] - [ 0.0001520200000000, -0.0006620700000000, 0.0007629100000000 ] - [ -0.0005378200000000, -0.0001623200000000, -0.0013185500000000 ] - [ 0.0002673700000000, 0.0002797700000000, -0.0007379400000000 ] - [ 0.0001202000000000, -0.0005995900000000, -0.0007850500000000 ] - [ 0.0002437100000000, -0.0003155000000000, -0.0004925900000000 ] - [ -0.0003368600000000, 0.0020675000000000, 0.0004822900000000 ] - [ 0.0001420600000000, 0.0010005100000000, 0.0006469500000000 ] - [ -0.0034084800000000, 0.0076050400000000, -0.0004503200000000 ] - [ 0.0002316400000000, 0.0002322100000000, 0.0006048100000000 ] - [ -0.0039029800000000, -0.0034291500000000, -0.0007374800000000 ] - [ -0.0011995600000000, -0.0046818900000000, -0.0014476300000000 ] - [ 0.0038538400000000, 0.0100107300000000, 0.0000620300000000 ] - [ 0.0006825300000000, -0.0001480600000000, 0.0000253000000000 ] - [ 0.0582513800000000, -0.1981444100000000, -0.0697270100000000 ] - [ -0.0003183700000000, -0.0011857600000000, 0.0000945600000000 ] - [ -0.0010809600000000, -0.0018723500000000, 0.0000495900000000 ] - [ -0.0005645000000000, 0.0003651500000000, -0.0000605300000000 ] - [ 0.0004931400000000, 0.0026796500000000, -0.0002006100000000 ] - [ 0.0005644100000000, 0.0011935200000000, -0.0002297200000000 ] - [ 0.0008186900000000, -0.0006582700000000, 0.0000578600000000 ] - [ -0.0002068100000000, -0.0002838600000000, 0.0005878500000000 ] - [ 0.0007891400000000, 0.0001189300000000, -0.0001870100000000 ] - [ -0.0008454200000000, -0.0001483000000000, -0.0001850600000000 ] - [ -0.0008863200000000, 0.0025317300000000, -0.0001245200000000 ] - [ 0.0005782200000000, 0.0023690000000000, -0.0003655600000000 ] - [ 0.0168691900000000, -0.0300573700000000, 0.0060389200000000 ] - [ 0.0015486300000000, -0.0016514800000000, 0.0005100700000000 ] - [ 0.0007120000000000, -0.0009953700000000, -0.0008958500000000 ] - [ 0.0001640100000000, -0.0007881800000000, -0.0001947000000000 ] - [ -0.0002213800000000, 0.0002641600000000, -0.0004687200000000 ] - [ -0.0001742600000000, -0.0005483800000000, -0.0000027200000000 ] - [ -0.0575796900000000, -0.1516685600000000, 0.0706713900000000 ] - [ -0.0000404000000000, 0.0005477900000000, 0.0002106800000000 ] - [ -0.0049772900000000, 0.0106487100000000, 0.0029060000000000 ] - [ 0.0005141000000000, 0.0008403300000000, 0.0001916700000000 ] - [ 0.0001556400000000, 0.0039208600000000, 0.0012043200000000 ] - [ 0.0004703200000000, 0.0010490700000000, 0.0007922100000000 ] - [ -0.0018702900000000, -0.0415491600000000, -0.0274664400000000 ] - [ -0.0002264200000000, 0.0004862700000000, -0.0004845900000000 ] - [ -0.0003684000000000, -0.0000344400000000, 0.0034742000000000 ] - [ -0.0004321300000000, -0.0007182700000000, -0.0006416700000000 ] - [ -0.0008591200000000, 0.0008738800000000, -0.0001399200000000 ] - [ 0.0003912500000000, 0.0009727800000000, 0.0007549100000000 ] - [ -0.0003287800000000, 0.0101057400000000, -0.0012611000000000 ] - [ 0.0022209000000000, 0.0016780200000000, -0.0021584500000000 ] - [ -0.0024412000000000, -0.0111403300000000, 0.0007732400000000 ] - [ -0.0002939900000000, -0.0010992500000000, 0.0004633600000000 ] - [ 0.0001208000000000, -0.0002306000000000, -0.0010644100000000 ] - [ -0.0014156800000000, -0.0001476300000000, 0.0006934900000000 ] - [ 0.0010645600000000, 0.0009319900000000, -0.0010213300000000 ] - [ -0.0004991000000000, 0.0003521900000000, -0.0011059500000000 ] - [ -0.0103318100000000, 0.4795521000000000, 0.0155518100000000 ] - [ -0.0014521900000000, 0.0004202700000000, -0.0003817200000000 ] - [ 0.0016277600000000, -0.0114896200000000, -0.0006638100000000 ] - [ 0.0003888100000000, -0.0006626300000000, -0.0002320100000000 ] - [ 0.0003570200000000, -0.0014892400000000, -0.0018188000000000 ] - [ 0.0013639800000000, -0.0003285400000000, 0.0001605500000000 ] - [ -0.0004014200000000, 0.0023941300000000, -0.0020604000000000 ] - [ -0.0006444800000000, 0.0002452900000000, 0.0000031800000000 ] - [ 0.0135776500000000, -0.0057123800000000, 0.0110230700000000 ] - [ -0.0010666400000000, 0.0000597100000000, 0.0001675500000000 ] - [ 0.0036297100000000, -0.0007896100000000, 0.0006400500000000 ] - [ -0.0049055700000000, -0.0003444900000000, -0.0006862200000000 ] - [ -0.0018238100000000, 0.0011630300000000, 0.0009167700000000 ] - [ 0.0000672500000000, 0.0009101400000000, 0.0004993800000000 ] - [ -0.0001268600000000, -0.0043918900000000, 0.0019409900000000 ] - [ 0.0007848300000000, -0.0006551900000000, 0.0001396100000000 ] - [ 0.0101604600000000, -0.0001725900000000, -0.0105990000000000 ] - [ -0.0000227600000000, 0.0005824500000000, 0.0003381100000000 ] - [ -0.0016493300000000, -0.0251053300000000, -0.0157307000000000 ] - [ -0.0007524800000000, 0.0002483600000000, -0.0003456400000000 ] - [ -0.0004324400000000, -0.0042972700000000, 0.0005096700000000 ] - [ -0.0006990100000000, -0.0007830700000000, -0.0001421100000000 ] - [ 0.0007262600000000, 0.0047911600000000, 0.0027328000000000 ] - [ 0.0002334200000000, 0.0000253100000000, 0.0002756300000000 ] - [ -0.0132837300000000, 0.0004606700000000, -0.0140133100000000 ] - [ 0.0007394300000000, 0.0006096700000000, -0.0005830000000000 ] - [ -0.0023047800000000, -0.0024312400000000, -0.0012750500000000 ] - [ 0.0021002400000000, -0.0009791700000000, -0.0002323200000000 ] - [ -0.0001084700000000, -0.0018387300000000, 0.0008809700000000 ] - [ 0.0001911600000000, -0.0011931600000000, 0.0006195300000000 ] - [ -0.0003375600000000, 0.0049696100000000, 0.0035909000000000 ] - [ 0.0000392300000000, 0.0002543300000000, -0.0003168900000000 ] - [ 0.0008755800000000, -0.0059455000000000, 0.0022296300000000 ] - [ -0.0010644100000000, -0.0005246600000000, -0.0004751500000000 ] - [ 0.0023137500000000, 0.0046856200000000, 0.0055056100000000 ] - [ 0.0000610100000000, 0.0003759300000000, 0.0009624800000000 ] - [ 0.0039710300000000, -0.0458284300000000, 0.0195453400000000 ] - [ 0.0001577700000000, -0.0000045800000000, 0.0003834500000000 ] - [ -0.0239231600000000, -0.0103579000000000, 0.0195828400000000 ] - [ 0.0004813700000000, 0.0002896700000000, -0.0012679100000000 ]- atom: 81 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0004153800000000, 0.0078973400000000, 0.0037329800000000 ] - [ -0.0000914300000000, -0.0000522500000000, -0.0001304300000000 ] - [ 0.0011735800000000, 0.0002247300000000, -0.0007107400000000 ] - [ -0.0019220600000000, 0.0001988100000000, -0.0005035600000000 ] - [ -0.0012336000000000, 0.0002989300000000, 0.0011774000000000 ] - [ 0.0007767800000000, 0.0001804500000000, 0.0008211800000000 ] - [ -0.0019630400000000, 0.0007696800000000, -0.0082616900000000 ] - [ 0.0003362400000000, 0.0001092600000000, -0.0008784500000000 ] - [ 0.0027907500000000, 0.0000396200000000, -0.0060220700000000 ] - [ -0.0001499700000000, 0.0001232300000000, -0.0002084200000000 ] - [ -0.0005212900000000, 0.0003831100000000, 0.0003553000000000 ] - [ -0.0002011000000000, 0.0003707700000000, -0.0000014200000000 ] - [ -0.0001406700000000, 0.0013673300000000, -0.0042039000000000 ] - [ -0.0005759500000000, -0.0002586500000000, -0.0006736900000000 ] - [ -0.0003340000000000, 0.0048078500000000, 0.0037582700000000 ] - [ 0.0006451600000000, -0.0002505200000000, 0.0005518900000000 ] - [ -0.0032859800000000, 0.0002268800000000, 0.0036883100000000 ] - [ 0.0014697000000000, -0.0007154600000000, 0.0072882800000000 ] - [ -0.0003560300000000, 0.0008050500000000, -0.0013396900000000 ] - [ 0.0003918800000000, 0.0003680800000000, -0.0007274900000000 ] - [ 0.0026220800000000, -0.0041595100000000, -0.0019521100000000 ] - [ -0.0002899900000000, -0.0003245900000000, -0.0002847400000000 ] - [ 0.0005535900000000, -0.0003448800000000, -0.0011578300000000 ] - [ -0.0012066100000000, -0.0006692200000000, -0.0018464800000000 ] - [ 0.0050978600000000, -0.0017120400000000, 0.0040779700000000 ] - [ -0.0038678700000000, 0.0009307800000000, 0.0003425500000000 ] - [ -0.0017096000000000, -0.0032972200000000, 0.0000623600000000 ] - [ 0.0003478100000000, -0.0003109600000000, -0.0003959000000000 ] - [ -0.0039646600000000, -0.0056449000000000, -0.0008987000000000 ] - [ 0.0007988100000000, -0.0007578900000000, 0.0009408800000000 ] - [ 0.0004873100000000, -0.0008063300000000, -0.0069014300000000 ] - [ -0.0003801000000000, 0.0005687700000000, -0.0010974100000000 ] - [ -0.0028867800000000, 0.0020295300000000, -0.0039096500000000 ] - [ 0.0026448000000000, 0.0012636800000000, -0.0032030800000000 ] - [ -0.0000641600000000, -0.0002481100000000, -0.0014611100000000 ] - [ -0.0003209200000000, 0.0003760300000000, 0.0002747200000000 ] - [ -0.0010113300000000, 0.0012584200000000, 0.0032120600000000 ] - [ 0.0001108900000000, -0.0005579700000000, 0.0011108900000000 ] - [ 0.0019614500000000, -0.0009165700000000, 0.0006746500000000 ] - [ -0.0032706900000000, -0.0022554600000000, -0.0001787300000000 ] - [ 0.0026197700000000, 0.0034045300000000, 0.0006898800000000 ] - [ 0.0003414000000000, -0.0003448100000000, 0.0002629900000000 ] - [ -0.0255581800000000, 0.0622952600000000, 0.0720648900000000 ] - [ -0.0006294900000000, -0.0008786300000000, 0.0004224700000000 ] - [ -0.0003973800000000, 0.0015062300000000, -0.0062943800000000 ] - [ -0.0005960100000000, 0.0006103100000000, -0.0003490800000000 ] - [ 0.0005883200000000, -0.0003496500000000, -0.0016494800000000 ] - [ 0.0008478900000000, 0.0006536500000000, -0.0003287000000000 ] - [ 0.0006513600000000, 0.0007346800000000, -0.0016143800000000 ] - [ -0.0005284500000000, 0.0001864400000000, -0.0000225200000000 ] - [ -0.0017655100000000, -0.0002841200000000, -0.0017325300000000 ] - [ 0.0015296400000000, -0.0002865600000000, -0.0013024800000000 ] - [ 0.0016684000000000, 0.0003795500000000, -0.0001885400000000 ] - [ -0.0014352500000000, 0.0002405100000000, -0.0001752900000000 ] - [ 0.0428296200000000, -0.0047083800000000, 0.0461682100000000 ] - [ 0.0009229800000000, -0.0003202200000000, 0.0012953600000000 ] - [ 0.0000294300000000, -0.0013779000000000, -0.0048909200000000 ] - [ 0.0005149300000000, -0.0004692200000000, -0.0006737600000000 ] - [ -0.0001631800000000, -0.0003924600000000, -0.0013337600000000 ] - [ -0.0002701800000000, -0.0006459900000000, -0.0000879600000000 ] - [ -0.0430782400000000, -0.0776577000000000, 0.0830888800000000 ] - [ -0.0006803100000000, 0.0004848500000000, 0.0004453800000000 ] - [ 0.0025043400000000, -0.0021476100000000, -0.0002469000000000 ] - [ 0.0000257300000000, 0.0007735700000000, 0.0003724100000000 ] - [ 0.0007934600000000, 0.0008288600000000, -0.0005266500000000 ] - [ 0.0001801600000000, 0.0007633900000000, 0.0004094900000000 ] - [ 0.0190583800000000, 0.0306439200000000, 0.2973945400000000 ] - [ -0.0003921800000000, 0.0005828400000000, -0.0000529300000000 ] - [ -0.0000343100000000, -0.0012345400000000, -0.0041696100000000 ] - [ -0.0005347700000000, -0.0007761400000000, -0.0011614300000000 ] - [ -0.0004257200000000, 0.0006974100000000, -0.0000799600000000 ] - [ 0.0002514700000000, 0.0007221300000000, 0.0001151700000000 ] - [ -0.0007114400000000, 0.0022107600000000, -0.0061205600000000 ] - [ 0.0080704600000000, 0.0026153900000000, -0.0068076000000000 ] - [ 0.0008052100000000, -0.0000226500000000, 0.0007895400000000 ] - [ -0.0014649900000000, -0.0001089100000000, 0.0005914300000000 ] - [ -0.0032375500000000, 0.0023155000000000, 0.0048167300000000 ] - [ 0.0006489000000000, 0.0003331600000000, 0.0008477100000000 ] - [ 0.0010562300000000, -0.0011738700000000, 0.0017524700000000 ] - [ -0.0003457800000000, -0.0005376800000000, 0.0025552500000000 ] - [ -0.0038992100000000, -0.0118020400000000, -0.5236975400000000 ] - [ -0.0009231100000000, 0.0002915700000000, -0.0009928900000000 ] - [ -0.0008418500000000, -0.0007638600000000, 0.0012064000000000 ] - [ 0.0014270000000000, -0.0002979600000000, 0.0000598100000000 ] - [ 0.0028941300000000, 0.0018926300000000, 0.0051406100000000 ] - [ -0.0003378700000000, -0.0000734600000000, 0.0002577200000000 ] - [ -0.0009232200000000, -0.0020027100000000, 0.0045747600000000 ] - [ -0.0004679800000000, 0.0000742400000000, 0.0006104300000000 ] - [ 0.0095279400000000, -0.0098408700000000, 0.0076797000000000 ] - [ -0.0002689900000000, 0.0001473800000000, 0.0000554700000000 ] - [ -0.0005126200000000, -0.0001921600000000, -0.0021257100000000 ] - [ -0.0014755000000000, 0.0000731200000000, -0.0022044100000000 ] - [ -0.0011758500000000, 0.0001987400000000, 0.0027179000000000 ] - [ 0.0004622300000000, -0.0000678000000000, 0.0025405100000000 ] - [ 0.0000800800000000, -0.0003371400000000, 0.0006719000000000 ] - [ 0.0008292200000000, -0.0001735300000000, -0.0000126700000000 ] - [ -0.0029679500000000, 0.0044184300000000, 0.0037739400000000 ] - [ 0.0012544700000000, 0.0007129900000000, 0.0006222300000000 ] - [ 0.0017596000000000, 0.0160384400000000, -0.0109153800000000 ] - [ -0.0004966500000000, 0.0003551900000000, -0.0008810800000000 ] - [ -0.0003295900000000, -0.0011403500000000, 0.0021267900000000 ] - [ -0.0004657700000000, -0.0005364300000000, 0.0002855400000000 ] - [ 0.0196097500000000, -0.0065524100000000, 0.0145033900000000 ] - [ -0.0004224900000000, -0.0002997100000000, 0.0001238100000000 ] - [ 0.0082182600000000, 0.0101530300000000, 0.0088901900000000 ] - [ -0.0003964200000000, 0.0003515400000000, -0.0000643900000000 ] - [ 0.0006149500000000, 0.0003607000000000, -0.0026093600000000 ] - [ -0.0009170100000000, 0.0003251600000000, -0.0022503800000000 ] - [ -0.0001593500000000, -0.0005355000000000, 0.0019132600000000 ] - [ -0.0000087400000000, -0.0004797400000000, 0.0018620700000000 ] - [ -0.0182539800000000, -0.0090956500000000, 0.0168479900000000 ] - [ 0.0011553100000000, -0.0003034500000000, -0.0003719900000000 ] - [ 0.0005363900000000, -0.0005211000000000, 0.0004443300000000 ] - [ -0.0009291400000000, -0.0000488000000000, -0.0006099200000000 ] - [ -0.0001739500000000, -0.0001111500000000, 0.0145432700000000 ] - [ 0.0005207500000000, 0.0000147000000000, 0.0019757500000000 ] - [ 0.0039993000000000, -0.0004894800000000, -0.0167373500000000 ] - [ 0.0003243200000000, 0.0000186100000000, -0.0003430300000000 ] - [ -0.0147078100000000, -0.0100673200000000, 0.0111954000000000 ] - [ 0.0012760000000000, -0.0002755700000000, -0.0002014000000000 ]- atom: 81 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0000185800000000, -0.0083423900000000, -0.0047149800000000 ] - [ 0.0004902400000000, -0.0004398000000000, -0.0008702500000000 ] - [ -0.0015789700000000, -0.0007232800000000, 0.0017057100000000 ] - [ 0.0015359900000000, -0.0006949000000000, 0.0014971000000000 ] - [ 0.0008359500000000, 0.0001942200000000, -0.0001707500000000 ] - [ -0.0011684200000000, 0.0003130300000000, 0.0001840300000000 ] - [ 0.0024078400000000, -0.0002996500000000, 0.0073502200000000 ] - [ 0.0000587300000000, 0.0003817500000000, -0.0001261900000000 ] - [ -0.0021972700000000, 0.0005331100000000, 0.0066273700000000 ] - [ 0.0007933900000000, 0.0004771300000000, 0.0007884900000000 ] - [ -0.0001235700000000, 0.0002286900000000, -0.0009360900000000 ] - [ -0.0004361400000000, 0.0002319000000000, -0.0005830600000000 ] - [ -0.0005181900000000, -0.0019973800000000, 0.0036042100000000 ] - [ -0.0000606400000000, -0.0003448900000000, 0.0000859600000000 ] - [ 0.0009752000000000, -0.0053983800000000, -0.0031541300000000 ] - [ -0.0000029200000000, -0.0003507100000000, 0.0000368100000000 ] - [ 0.0030552200000000, 0.0002783400000000, -0.0026655700000000 ] - [ -0.0017032100000000, 0.0012179200000000, -0.0062437600000000 ] - [ 0.0005930400000000, -0.0002992700000000, 0.0003150200000000 ] - [ -0.0001541300000000, 0.0001400100000000, -0.0002896400000000 ] - [ -0.0023822300000000, 0.0036426000000000, 0.0009371800000000 ] - [ 0.0005280000000000, -0.0001833800000000, -0.0007267000000000 ] - [ -0.0007954200000000, -0.0001604800000000, 0.0021742400000000 ] - [ 0.0009810600000000, 0.0001673300000000, 0.0028610000000000 ] - [ -0.0051153700000000, 0.0007326600000000, -0.0026578800000000 ] - [ 0.0037725100000000, -0.0018814800000000, 0.0010659100000000 ] - [ 0.0017375200000000, 0.0023090600000000, -0.0014928800000000 ] - [ -0.0002976600000000, -0.0006626700000000, -0.0010216600000000 ] - [ 0.0047213700000000, 0.0042336600000000, 0.0022324700000000 ] - [ -0.0000364000000000, -0.0006458500000000, 0.0003985700000000 ] - [ -0.0004469100000000, 0.0017717200000000, 0.0055094100000000 ] - [ 0.0004277600000000, 0.0004055700000000, -0.0003189400000000 ] - [ 0.0030470800000000, -0.0009215000000000, 0.0025544500000000 ] - [ -0.0024773800000000, -0.0001550000000000, 0.0018486100000000 ] - [ -0.0000977500000000, 0.0013524000000000, 0.0028193100000000 ] - [ 0.0001588200000000, 0.0007304000000000, 0.0010858700000000 ] - [ 0.0008418000000000, -0.0023543600000000, -0.0018603100000000 ] - [ -0.0002699500000000, -0.0005469100000000, 0.0002477500000000 ] - [ -0.0017933500000000, -0.0001934800000000, -0.0020444600000000 ] - [ 0.0034078600000000, 0.0011216300000000, -0.0011955800000000 ] - [ -0.0014210800000000, -0.0047658400000000, -0.0007928600000000 ] - [ 0.0008334000000000, -0.0010631000000000, -0.0003669400000000 ] - [ 0.0246991400000000, -0.0646248300000000, -0.0714631400000000 ] - [ -0.0005455700000000, -0.0005321500000000, -0.0003188600000000 ] - [ -0.0007834900000000, -0.0000928300000000, 0.0064140400000000 ] - [ -0.0005782400000000, 0.0007996100000000, 0.0004523100000000 ] - [ 0.0005840600000000, 0.0017603400000000, 0.0015504600000000 ] - [ 0.0003298700000000, 0.0007566400000000, 0.0002277000000000 ] - [ -0.0003300700000000, -0.0010828000000000, 0.0025168600000000 ] - [ 0.0008464700000000, -0.0005367900000000, 0.0009240600000000 ] - [ 0.0014444700000000, -0.0000676300000000, 0.0008337000000000 ] - [ -0.0018430600000000, -0.0000661300000000, 0.0004038400000000 ] - [ -0.0019732100000000, -0.0000264300000000, -0.0007142700000000 ] - [ 0.0011111100000000, 0.0001104900000000, -0.0007268200000000 ] - [ -0.0425152900000000, 0.0050944400000000, -0.0447369900000000 ] - [ -0.0005961800000000, 0.0006675800000000, -0.0003955300000000 ] - [ 0.0004729200000000, 0.0001008600000000, 0.0047119900000000 ] - [ -0.0000050300000000, -0.0008036600000000, 0.0004792000000000 ] - [ -0.0003472300000000, -0.0008744600000000, 0.0015360500000000 ] - [ -0.0002332100000000, -0.0006255700000000, 0.0002840700000000 ] - [ 0.0438052200000000, 0.0816012400000000, -0.0833832900000000 ] - [ 0.0001721800000000, 0.0007869100000000, -0.0002500900000000 ] - [ -0.0019763700000000, 0.0033971100000000, 0.0000374100000000 ] - [ 0.0004784000000000, 0.0004995800000000, -0.0005673200000000 ] - [ -0.0000339700000000, 0.0005775700000000, 0.0018468100000000 ] - [ 0.0005827800000000, 0.0006404200000000, 0.0009217600000000 ] - [ -0.0180327900000000, -0.0269277000000000, -0.2796562000000000 ] - [ -0.0003669800000000, 0.0008205700000000, -0.0012754600000000 ] - [ -0.0007311300000000, -0.0001557400000000, 0.0028478100000000 ] - [ -0.0002262000000000, -0.0006275700000000, -0.0001750300000000 ] - [ 0.0003775300000000, 0.0002788100000000, 0.0014994100000000 ] - [ -0.0002940800000000, 0.0002589700000000, 0.0013052200000000 ] - [ 0.0017731500000000, -0.0024077000000000, 0.0048330700000000 ] - [ -0.0069382900000000, -0.0028064500000000, 0.0054793700000000 ] - [ -0.0018888300000000, -0.0001867700000000, 0.0005130400000000 ] - [ 0.0003702900000000, -0.0000978000000000, 0.0007020400000000 ] - [ 0.0021437000000000, -0.0021030500000000, -0.0035258800000000 ] - [ -0.0017365700000000, -0.0001244600000000, 0.0004378100000000 ] - [ 0.0000340300000000, 0.0013780000000000, -0.0030448200000000 ] - [ 0.0014272200000000, 0.0007361600000000, -0.0038504200000000 ] - [ -0.0010175800000000, 0.0076166400000000, 0.5037996300000001 ] - [ -0.0007232700000000, -0.0003011800000000, 0.0008473400000000 ] - [ 0.0024769200000000, 0.0007450400000000, -0.0010434800000000 ] - [ 0.0002162300000000, 0.0002879600000000, 0.0000853300000000 ] - [ -0.0012518300000000, -0.0018839400000000, -0.0050034500000000 ] - [ 0.0019756100000000, 0.0000838000000000, -0.0001221700000000 ] - [ -0.0007149400000000, 0.0020029300000000, -0.0047292500000000 ] - [ -0.0011751600000000, -0.0000645400000000, -0.0007503500000000 ] - [ -0.0086942000000000, 0.0103030400000000, -0.0077589700000000 ] - [ 0.0011698000000000, 0.0001975700000000, -0.0001419100000000 ] - [ -0.0003950100000000, 0.0005409400000000, 0.0022105300000000 ] - [ 0.0005707700000000, 0.0002768000000000, 0.0022840600000000 ] - [ 0.0002868600000000, -0.0005413000000000, -0.0026315000000000 ] - [ -0.0013931800000000, -0.0002707600000000, -0.0024548200000000 ] - [ 0.0008235300000000, -0.0000144400000000, -0.0007633000000000 ] - [ 0.0000720000000000, -0.0001723200000000, -0.0000814300000000 ] - [ 0.0040540000000000, -0.0036062900000000, -0.0032896600000000 ] - [ -0.0002129000000000, 0.0001417200000000, -0.0001384600000000 ] - [ -0.0027984900000000, -0.0151710300000000, 0.0103787900000000 ] - [ -0.0005477400000000, 0.0004982700000000, 0.0004021900000000 ] - [ -0.0007100800000000, 0.0002869500000000, -0.0026002600000000 ] - [ -0.0005789700000000, -0.0003176300000000, -0.0007603300000000 ] - [ -0.0185282500000000, 0.0057058700000000, -0.0139778900000000 ] - [ 0.0014602100000000, -0.0005532800000000, 0.0003493800000000 ] - [ -0.0083569500000000, -0.0098059700000000, -0.0096447400000000 ] - [ 0.0003767800000000, 0.0001325100000000, -0.0006580100000000 ] - [ -0.0006030000000000, 0.0001194200000000, 0.0033264900000000 ] - [ 0.0009388700000000, 0.0001496100000000, 0.0029660300000000 ] - [ 0.0001792400000000, 0.0000525700000000, -0.0011836400000000 ] - [ 0.0000253000000000, -0.0000042500000000, -0.0011315000000000 ] - [ 0.0181839800000000, 0.0085988100000000, -0.0174641700000000 ] - [ -0.0011767500000000, -0.0001801300000000, -0.0003593300000000 ] - [ -0.0011086000000000, 0.0004325500000000, -0.0019349300000000 ] - [ 0.0003436500000000, -0.0000347700000000, -0.0008797700000000 ] - [ 0.0007944000000000, 0.0000571600000000, -0.0131354300000000 ] - [ 0.0000544000000000, -0.0000971600000000, -0.0004886100000000 ] - [ -0.0034015500000000, 0.0005839200000000, 0.0181634100000000 ] - [ 0.0002514200000000, 0.0000647900000000, 0.0018254400000000 ] - [ 0.0142039000000000, 0.0102523300000000, -0.0126154200000000 ] - [ -0.0018534200000000, 0.0003545500000000, -0.0012668500000000 ]- atom: 89 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0020492900000000, -0.0001272800000000, -0.0005892500000000 ] - [ -0.0011214300000000, -0.0002077100000000, -0.0004145200000000 ] - [ -0.0044822400000000, -0.0004597700000000, 0.0012032900000000 ] - [ 0.0092736800000000, -0.0010518500000000, 0.0028788300000000 ] - [ -0.0011366800000000, -0.0000695200000000, 0.0003361500000000 ] - [ 0.0005214700000000, 0.0008184400000000, 0.0010321100000000 ] - [ 0.0114637700000000, -0.0001983700000000, -0.0015583200000000 ] - [ -0.0025497200000000, -0.0000019200000000, -0.0003490400000000 ] - [ -0.0021916300000000, 0.0045932800000000, 0.0020478800000000 ] - [ -0.0031493300000000, -0.0028250000000000, -0.0016762000000000 ] - [ 0.0005514300000000, -0.0004840300000000, -0.0004575800000000 ] - [ -0.0012183200000000, 0.0006242000000000, -0.0001720000000000 ] - [ 0.0100226200000000, 0.0027713900000000, -0.0012582700000000 ] - [ -0.0045686700000000, -0.0003778700000000, -0.0015739000000000 ] - [ 0.0002426400000000, 0.0000171800000000, 0.0000616700000000 ] - [ -0.0000790800000000, -0.0004705000000000, 0.0003850700000000 ] - [ -0.0013563700000000, 0.0007638700000000, 0.0000189100000000 ] - [ 0.0020086000000000, -0.0014869400000000, 0.0026267000000000 ] - [ 0.0091498400000000, 0.0013098300000000, -0.0007109200000000 ] - [ -0.0016392400000000, 0.0002389700000000, -0.0004346200000000 ] - [ 0.0024579700000000, -0.0005133400000000, -0.0003038300000000 ] - [ -0.0013241600000000, -0.0002060200000000, -0.0005656100000000 ] - [ -0.0015047400000000, 0.0000028500000000, 0.0007404300000000 ] - [ 0.0014647100000000, -0.0005462700000000, 0.0002482300000000 ] - [ -0.0034521600000000, 0.0006746200000000, -0.0005639500000000 ] - [ -0.0045146900000000, -0.0066129600000000, 0.0080657200000000 ] - [ 0.0019068200000000, 0.0007424400000000, 0.0000392200000000 ] - [ -0.0013626600000000, -0.0009296700000000, -0.0010401600000000 ] - [ -0.0002492300000000, -0.0010999300000000, 0.0004644600000000 ] - [ -0.0000198400000000, -0.0004307500000000, 0.0010890000000000 ] - [ 0.0030172900000000, -0.0001485000000000, 0.0011339600000000 ] - [ -0.0014993200000000, 0.0008909700000000, -0.0013043400000000 ] - [ -0.0009175700000000, 0.0010126000000000, -0.0005265500000000 ] - [ 0.0011112700000000, -0.0003521600000000, -0.0013844400000000 ] - [ 0.0029143400000000, 0.0003436700000000, 0.0009394700000000 ] - [ -0.0015493000000000, 0.0004269400000000, 0.0004330600000000 ] - [ 0.0079188400000000, -0.0003352000000000, 0.0020495000000000 ] - [ -0.0018204500000000, -0.0003173900000000, 0.0005784100000000 ] - [ -0.0013022600000000, -0.0000904800000000, -0.0009402500000000 ] - [ 0.0018014000000000, -0.0029746200000000, -0.0002986100000000 ] - [ -0.0023147000000000, -0.0043513700000000, -0.0015734800000000 ] - [ -0.0013712400000000, 0.0023445800000000, 0.0019317900000000 ] - [ 0.0013876400000000, 0.0027896700000000, -0.0009829800000000 ] - [ -0.0017220200000000, -0.0011002100000000, 0.0003659700000000 ] - [ 0.0004102300000000, 0.0015136900000000, 0.0003291300000000 ] - [ -0.0015146900000000, 0.0001125800000000, -0.0003797200000000 ] - [ 0.0001478800000000, -0.0003524100000000, 0.0008029900000000 ] - [ 0.0001804900000000, 0.0014906200000000, -0.0007621700000000 ] - [ 0.0024779600000000, -0.0000799400000000, 0.0004897000000000 ] - [ -0.0017620200000000, -0.0001523900000000, 0.0004335400000000 ] - [ -0.0024520800000000, -0.0004556500000000, -0.0001951800000000 ] - [ 0.0023249900000000, 0.0000159400000000, -0.0023873100000000 ] - [ -0.0029206200000000, -0.0004632000000000, -0.0005572100000000 ] - [ 0.0025716500000000, 0.0013503400000000, 0.0001610700000000 ] - [ 0.0126230700000000, 0.0008394400000000, 0.0000782400000000 ] - [ -0.0031227700000000, 0.0001667000000000, 0.0004835500000000 ] - [ -0.0014529300000000, -0.0005528300000000, 0.0024611400000000 ] - [ -0.0003078200000000, -0.0008695400000000, -0.0012607100000000 ] - [ 0.0003738600000000, -0.0010156100000000, 0.0004183300000000 ] - [ -0.0010025400000000, -0.0003923100000000, 0.0000772100000000 ] - [ 0.0022362900000000, 0.0045274500000000, -0.0042483000000000 ] - [ -0.0032712500000000, -0.0002362200000000, 0.0010022800000000 ] - [ 0.0003794600000000, -0.0002040200000000, -0.0006782600000000 ] - [ -0.0004267700000000, 0.0017412800000000, 0.0007595800000000 ] - [ -0.0006411800000000, -0.0007193100000000, 0.0009277800000000 ] - [ -0.0005514600000000, 0.0026788500000000, 0.0005587100000000 ] - [ 0.0022782600000000, 0.0027480400000000, -0.0036185800000000 ] - [ -0.0015614500000000, 0.0003232800000000, -0.0002938700000000 ] - [ 0.0008433300000000, -0.0005462600000000, -0.0005322400000000 ] - [ -0.0015450100000000, -0.0007824600000000, -0.0009081700000000 ] - [ -0.0006605700000000, 0.0001193400000000, 0.0007395500000000 ] - [ 0.0003816300000000, 0.0012526500000000, 0.0002977100000000 ] - [ 0.0041009100000000, -0.0020396400000000, 0.0000186500000000 ] - [ -0.0061222100000000, 0.0110979400000000, -0.0072008800000000 ] - [ -0.0086288400000000, -0.0040488900000000, -0.0011986700000000 ] - [ 0.0022726800000000, -0.0000767400000000, 0.0005833900000000 ] - [ -0.0052196900000000, 0.0012950300000000, 0.0006472400000000 ] - [ 0.0020395000000000, -0.0001869500000000, 0.0006885800000000 ] - [ 0.0023937300000000, -0.0001273000000000, -0.0010542500000000 ] - [ -0.0017924100000000, 0.0002426600000000, -0.0003788500000000 ] - [ -0.0113765600000000, -0.0131731500000000, 0.0088203700000000 ] - [ 0.0024593500000000, 0.0015072700000000, -0.0007230400000000 ] - [ 0.0033015400000000, 0.0040888200000000, 0.0000656900000000 ] - [ 0.0010028600000000, -0.0044236500000000, -0.0009433300000000 ] - [ 0.0027118800000000, 0.0013778600000000, -0.0006199800000000 ] - [ 0.0007972500000000, -0.0005108000000000, 0.0010010200000000 ] - [ -0.0028386000000000, -0.0005680600000000, -0.0004854100000000 ] - [ 0.0009460600000000, 0.0003352400000000, 0.0003397700000000 ] - [ -0.0666962600000000, 0.0069017700000000, -0.0016279800000000 ] - [ 0.0041335400000000, -0.0001230800000000, -0.0001153300000000 ] - [ 0.0007635800000000, 0.0002114600000000, 0.0004272100000000 ] - [ -0.0015884400000000, 0.0004243700000000, -0.0007985300000000 ] - [ 0.0025821600000000, -0.0010302200000000, -0.0008128100000000 ] - [ -0.0002946700000000, 0.0085108900000000, 0.0095777200000000 ] - [ -0.0012970500000000, -0.0003346000000000, -0.0000968600000000 ] - [ 0.0019229600000000, -0.0000345500000000, -0.0000030900000000 ] - [ 0.0009950700000000, -0.0010350100000000, 0.0003409400000000 ] - [ 0.0011020400000000, 0.0013117900000000, 0.0003729200000000 ] - [ -0.0025785100000000, 0.0037664800000000, 0.0055251400000000 ] - [ 0.0018266800000000, 0.0000479600000000, -0.0011052100000000 ] - [ -0.0021834700000000, 0.0059307400000000, -0.0037844900000000 ] - [ 0.0017249400000000, -0.0012731800000000, 0.0005219000000000 ] - [ 0.0012212900000000, -0.0013402900000000, 0.0004300900000000 ] - [ 0.0009915600000000, 0.0002029800000000, -0.0000205300000000 ] - [ -0.0036991200000000, -0.0002604800000000, 0.0003025200000000 ] - [ 0.0019532100000000, 0.0003945400000000, -0.0005277000000000 ] - [ 0.0023532400000000, 0.0007878300000000, 0.0013691900000000 ] - [ -0.0011499800000000, -0.0031003400000000, -0.0052031500000000 ] - [ 0.0021498600000000, 0.0006395600000000, -0.0004184900000000 ] - [ -0.0009211500000000, -0.0072937500000000, 0.0061638900000000 ] - [ -0.0027911800000000, -0.0006725900000000, -0.0006486400000000 ] - [ 0.0017143600000000, -0.0001766700000000, -0.0002699200000000 ] - [ -0.0000686100000000, 0.0006201300000000, -0.0009605600000000 ] - [ 0.0002014500000000, -0.0007035800000000, -0.0004345900000000 ] - [ -0.0002698000000000, -0.0128804200000000, -0.0143857900000000 ] - [ 0.0047041500000000, 0.0010333200000000, 0.0031284600000000 ] - [ -0.0021037700000000, -0.0009425800000000, 0.0015131300000000 ] - [ 0.0025789000000000, -0.0000822600000000, 0.0002915000000000 ] - [ 0.0230209700000000, -0.0009250700000000, 0.0000279800000000 ] - [ 0.0187721200000000, 0.0019812700000000, -0.0025290300000000 ]- atom: 89 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0016456700000000, -0.0003613500000000, -0.0004122900000000 ] - [ 0.0015300900000000, -0.0002809100000000, -0.0005947000000000 ] - [ 0.0040746100000000, -0.0000309900000000, -0.0001892100000000 ] - [ -0.0107161000000000, 0.0007134800000000, -0.0023388800000000 ] - [ 0.0007335700000000, 0.0005569100000000, 0.0006712800000000 ] - [ -0.0009376500000000, -0.0003291900000000, -0.0000215600000000 ] - [ -0.0110763900000000, 0.0007762700000000, 0.0005748200000000 ] - [ 0.0029600800000000, 0.0004923400000000, -0.0006588300000000 ] - [ 0.0028256300000000, -0.0039651300000000, -0.0014469900000000 ] - [ 0.0038035300000000, 0.0034462100000000, 0.0022762600000000 ] - [ -0.0011756100000000, 0.0010950600000000, -0.0001220400000000 ] - [ 0.0005819700000000, -0.0000152700000000, -0.0004168300000000 ] - [ -0.0098819100000000, -0.0032299000000000, 0.0002135300000000 ] - [ 0.0039362600000000, -0.0002347000000000, 0.0009935800000000 ] - [ 0.0003994100000000, -0.0006248100000000, 0.0005263400000000 ] - [ 0.0007089500000000, -0.0001365300000000, 0.0001994500000000 ] - [ 0.0011265300000000, -0.0002437100000000, 0.0009920600000000 ] - [ -0.0022704300000000, 0.0020137300000000, -0.0016131900000000 ] - [ -0.0089380500000000, -0.0007586100000000, -0.0003418000000000 ] - [ 0.0018739900000000, 0.0002779000000000, -0.0005793300000000 ] - [ -0.0022309800000000, -0.0000058500000000, -0.0007000900000000 ] - [ 0.0015590500000000, -0.0003132200000000, -0.0004467300000000 ] - [ 0.0012728700000000, -0.0005196000000000, 0.0002727300000000 ] - [ -0.0017118700000000, 0.0000325300000000, 0.0007620700000000 ] - [ 0.0034110000000000, -0.0016442900000000, 0.0019801500000000 ] - [ 0.0044604900000000, 0.0056912800000000, -0.0067251300000000 ] - [ -0.0018546500000000, -0.0016844400000000, -0.0014492700000000 ] - [ 0.0014085000000000, -0.0000461700000000, -0.0003795100000000 ] - [ 0.0010242700000000, -0.0003080800000000, 0.0008807000000000 ] - [ 0.0007818700000000, -0.0009803800000000, 0.0002504400000000 ] - [ -0.0029683300000000, 0.0011278500000000, -0.0025604000000000 ] - [ 0.0015464400000000, 0.0000828900000000, -0.0001135100000000 ] - [ 0.0010874500000000, 0.0000900400000000, -0.0008327200000000 ] - [ -0.0009512100000000, 0.0014603800000000, 0.0000258700000000 ] - [ -0.0030825300000000, 0.0007599400000000, 0.0004148000000000 ] - [ 0.0013838400000000, 0.0006740100000000, 0.0009301100000000 ] - [ -0.0080997900000000, -0.0007944100000000, -0.0007378600000000 ] - [ 0.0016558200000000, -0.0007852800000000, 0.0007822200000000 ] - [ 0.0014724300000000, -0.0010092700000000, -0.0004238800000000 ] - [ -0.0016644300000000, 0.0018826200000000, -0.0010702200000000 ] - [ 0.0034772700000000, 0.0029197900000000, 0.0014537600000000 ] - [ 0.0025592000000000, -0.0037803200000000, -0.0020471900000000 ] - [ -0.0025470600000000, -0.0041983500000000, 0.0010841000000000 ] - [ 0.0005420100000000, -0.0003064300000000, -0.0002615100000000 ] - [ -0.0015817200000000, -0.0001059300000000, -0.0002290200000000 ] - [ 0.0003349600000000, 0.0012999300000000, 0.0004891600000000 ] - [ 0.0010348200000000, 0.0017615000000000, -0.0009070700000000 ] - [ 0.0009957400000000, -0.0000819600000000, 0.0006589900000000 ] - [ -0.0021621700000000, -0.0002738800000000, 0.0004142400000000 ] - [ 0.0020849000000000, -0.0002005300000000, 0.0004722500000000 ] - [ 0.0021357800000000, 0.0001002600000000, -0.0007072400000000 ] - [ -0.0026595100000000, -0.0003731200000000, 0.0014928500000000 ] - [ 0.0025984600000000, 0.0008114100000000, -0.0003472200000000 ] - [ -0.0029428900000000, -0.0009956100000000, -0.0010716500000000 ] - [ -0.0123030500000000, -0.0005101400000000, 0.0008498400000000 ] - [ 0.0034481600000000, 0.0001889100000000, 0.0004207600000000 ] - [ 0.0019576300000000, -0.0007207800000000, -0.0026481000000000 ] - [ 0.0008114100000000, -0.0004040000000000, 0.0010721400000000 ] - [ -0.0008762100000000, -0.0002583700000000, -0.0002247900000000 ] - [ 0.0004948500000000, -0.0008778100000000, 0.0001186100000000 ] - [ -0.0023527700000000, -0.0033752300000000, 0.0046467800000000 ] - [ 0.0027759100000000, 0.0015117400000000, -0.0008133600000000 ] - [ 0.0001373200000000, 0.0014655000000000, 0.0004785100000000 ] - [ 0.0009238000000000, -0.0004722500000000, -0.0009538700000000 ] - [ 0.0014104100000000, 0.0021195300000000, 0.0004170500000000 ] - [ 0.0013156200000000, -0.0012827000000000, 0.0007853500000000 ] - [ -0.0030276200000000, -0.0013345300000000, 0.0022847500000000 ] - [ 0.0007948900000000, 0.0010869800000000, -0.0010479700000000 ] - [ -0.0016007900000000, -0.0008627400000000, -0.0008116900000000 ] - [ 0.0007783300000000, -0.0006240800000000, -0.0004302400000000 ] - [ 0.0006183100000000, 0.0008556600000000, 0.0006818200000000 ] - [ -0.0004306300000000, -0.0002791800000000, 0.0011221400000000 ] - [ -0.0030086500000000, 0.0018336200000000, -0.0013068200000000 ] - [ 0.0073594100000000, -0.0113614500000000, 0.0059336400000000 ] - [ 0.0076102300000000, 0.0036863900000000, 0.0024769400000000 ] - [ -0.0033689000000000, -0.0001219700000000, 0.0007098300000000 ] - [ 0.0041413100000000, -0.0010890200000000, 0.0006459100000000 ] - [ -0.0031388800000000, 0.0003895500000000, 0.0006021100000000 ] - [ -0.0013015700000000, 0.0003268400000000, -0.0002404700000000 ] - [ 0.0029004100000000, -0.0000430600000000, -0.0009086800000000 ] - [ 0.0096181800000000, 0.0131509700000000, -0.0089679000000000 ] - [ -0.0041146000000000, -0.0015260800000000, 0.0005800100000000 ] - [ -0.0016536100000000, -0.0040668100000000, 0.0000783800000000 ] - [ 0.0006659300000000, 0.0044513500000000, 0.0010958700000000 ] - [ -0.0010692000000000, -0.0013651100000000, 0.0007626200000000 ] - [ 0.0008571100000000, 0.0005234600000000, -0.0008556200000000 ] - [ 0.0011860300000000, 0.0005815100000000, 0.0003432200000000 ] - [ -0.0025957600000000, -0.0003302200000000, -0.0004912900000000 ] - [ 0.0674490400000000, -0.0066559600000000, 0.0025171800000000 ] - [ -0.0032346600000000, 0.0004678800000000, 0.0000252900000000 ] - [ -0.0016713100000000, 0.0001324300000000, -0.0003338400000000 ] - [ 0.0006987300000000, -0.0000820800000000, 0.0008882900000000 ] - [ -0.0034843600000000, 0.0006854000000000, 0.0008985000000000 ] - [ -0.0005815100000000, -0.0089104600000000, -0.0095570700000000 ] - [ 0.0022019200000000, -0.0000131600000000, 0.0000011800000000 ] - [ -0.0010223800000000, -0.0003086800000000, -0.0000887600000000 ] - [ 0.0000375600000000, 0.0018817600000000, 0.0001397300000000 ] - [ -0.0000512200000000, -0.0004654900000000, 0.0001063800000000 ] - [ 0.0014877700000000, -0.0029036300000000, -0.0060001000000000 ] - [ -0.0028740900000000, 0.0008080000000000, 0.0006353900000000 ] - [ 0.0011120200000000, -0.0067611600000000, 0.0032951600000000 ] - [ -0.0027684500000000, 0.0004229800000000, -0.0010029500000000 ] - [ -0.0001880800000000, 0.0004852400000000, 0.0000447900000000 ] - [ 0.0000568000000000, -0.0010593000000000, 0.0004978800000000 ] - [ 0.0036879500000000, 0.0007687600000000, -0.0010206300000000 ] - [ -0.0019747100000000, 0.0000878000000000, -0.0001978200000000 ] - [ -0.0023351700000000, -0.0003037300000000, -0.0006358200000000 ] - [ 0.0012150300000000, 0.0036056800000000, 0.0059480100000000 ] - [ -0.0021343500000000, -0.0011214200000000, 0.0011402100000000 ] - [ 0.0009727100000000, 0.0068501200000000, -0.0054653500000000 ] - [ 0.0027785800000000, 0.0001914400000000, -0.0000829800000000 ] - [ -0.0017357100000000, -0.0003079200000000, -0.0004565600000000 ] - [ -0.0005243500000000, -0.0007020400000000, -0.0005316500000000 ] - [ -0.0007721200000000, 0.0006204000000000, -0.0010572900000000 ] - [ 0.0007877100000000, 0.0127217000000000, 0.0157844600000000 ] - [ -0.0041339900000000, -0.0011156600000000, -0.0016547100000000 ] - [ 0.0026609300000000, 0.0010235000000000, -0.0000355400000000 ] - [ -0.0019967300000000, 0.0001652300000000, 0.0012010700000000 ] - [ -0.0233621700000000, 0.0009805800000000, -0.0015060600000000 ] - [ -0.0195472400000000, -0.0019028100000000, 0.0010322100000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002854400000000, -0.0025205300000000, -0.0011310400000000 ] - [ 0.0003188700000000, -0.0005111800000000, -0.0005425300000000 ] - [ -0.0001304200000000, 0.0006186700000000, 0.0005025200000000 ] - [ -0.0002926700000000, 0.0093471400000000, 0.0000588300000000 ] - [ -0.0003918700000000, 0.0000789100000000, 0.0004697100000000 ] - [ 0.0004810000000000, -0.0006919800000000, -0.0003948300000000 ] - [ 0.0020328300000000, 0.0154463100000000, 0.0036633800000000 ] - [ 0.0004067800000000, 0.0003767300000000, -0.0005167800000000 ] - [ 0.0033937300000000, 0.0017917700000000, 0.0002827100000000 ] - [ -0.0003492000000000, 0.0013674800000000, 0.0003242600000000 ] - [ -0.0014361700000000, -0.0005906800000000, -0.0014588100000000 ] - [ -0.0000169300000000, 0.0001409500000000, -0.0003528500000000 ] - [ 0.0017421200000000, 0.0104373700000000, -0.0009313000000000 ] - [ 0.0002536700000000, 0.0003162900000000, -0.0000732300000000 ] - [ 0.0004165700000000, -0.0014585800000000, 0.0004286900000000 ] - [ 0.0002838900000000, -0.0010842600000000, 0.0002571000000000 ] - [ 0.0002065100000000, 0.0001174200000000, 0.0005969900000000 ] - [ -0.0026180300000000, -0.0006718800000000, 0.0030675800000000 ] - [ 0.0010432800000000, -0.0082086400000000, 0.0044809600000000 ] - [ 0.0002233000000000, 0.0003300800000000, -0.0004979600000000 ] - [ -0.0000661200000000, 0.0018766500000000, -0.0023931300000000 ] - [ 0.0002022900000000, -0.0001143600000000, -0.0005674000000000 ] - [ 0.0002031000000000, -0.0006479200000000, 0.0004098000000000 ] - [ -0.0014407900000000, -0.0028952600000000, -0.0001652000000000 ] - [ 0.0011280300000000, -0.0001900900000000, 0.0011251600000000 ] - [ -0.0049119300000000, 0.0042166600000000, 0.0012250400000000 ] - [ -0.0022646100000000, -0.0089802100000000, -0.0039935500000000 ] - [ 0.0001928700000000, -0.0006710800000000, -0.0006773900000000 ] - [ -0.0000542800000000, 0.0001237100000000, 0.0002776600000000 ] - [ 0.0009089000000000, 0.0001382800000000, 0.0003111000000000 ] - [ -0.0010282300000000, 0.0045958800000000, -0.0044479600000000 ] - [ 0.0000758900000000, 0.0006781600000000, -0.0007159300000000 ] - [ 0.0004716700000000, 0.0002859100000000, -0.0006206600000000 ] - [ -0.0005389300000000, -0.0004222900000000, -0.0009797000000000 ] - [ -0.0003910300000000, 0.0018149600000000, 0.0039721300000000 ] - [ 0.0000998200000000, 0.0006893500000000, 0.0008180900000000 ] - [ -0.0007452200000000, 0.0106132800000000, 0.0037067500000000 ] - [ 0.0000111300000000, -0.0003268400000000, 0.0006717800000000 ] - [ 0.0004683100000000, -0.0009417000000000, -0.0005363600000000 ] - [ -0.0030318800000000, -0.0040326800000000, -0.0003500200000000 ] - [ -0.0012000200000000, 0.0006338300000000, -0.0000414400000000 ] - [ 0.0019942400000000, 0.0007163800000000, -0.0002117300000000 ] - [ 0.0015785600000000, -0.0050674600000000, 0.0011590100000000 ] - [ -0.0007039900000000, -0.0011504100000000, 0.0001567200000000 ] - [ 0.0003862800000000, -0.0019793400000000, -0.0016661200000000 ] - [ -0.0007095500000000, 0.0005212800000000, 0.0001039500000000 ] - [ 0.0000290300000000, 0.0012776400000000, 0.0002706500000000 ] - [ 0.0010345900000000, 0.0010750400000000, 0.0004428600000000 ] - [ -0.0001712500000000, -0.0018095200000000, 0.0001792000000000 ] - [ 0.0003999800000000, -0.0003890400000000, 0.0004012900000000 ] - [ -0.0000035400000000, 0.0001710400000000, -0.0006049600000000 ] - [ -0.0001863900000000, 0.0014404500000000, -0.0004843700000000 ] - [ -0.0006350300000000, -0.0000087400000000, -0.0006339200000000 ] - [ 0.0064512600000000, -0.0032445700000000, -0.0025115200000000 ] - [ -0.0010859400000000, 0.0030042300000000, 0.0029709900000000 ] - [ 0.0005115800000000, 0.0001256600000000, 0.0004138900000000 ] - [ 0.0005457300000000, 0.0003882200000000, -0.0001252100000000 ] - [ 0.0000393100000000, 0.0001941400000000, -0.0004656000000000 ] - [ -0.0002887800000000, -0.0023576700000000, -0.0000346300000000 ] - [ -0.0000580600000000, -0.0009587400000000, 0.0000584300000000 ] - [ 0.0032544900000000, 0.0080620200000000, 0.0004333800000000 ] - [ -0.0006828600000000, 0.0010121000000000, 0.0000737900000000 ] - [ -0.0003488400000000, -0.0004670700000000, -0.0002775100000000 ] - [ 0.0017232000000000, -0.0009455700000000, -0.0008665400000000 ] - [ -0.0007621300000000, 0.0002980600000000, 0.0006042000000000 ] - [ 0.0023995500000000, 0.0002699600000000, 0.0010684800000000 ] - [ 0.0016526000000000, 0.0006414300000000, 0.0023692300000000 ] - [ -0.0004765300000000, 0.0007718200000000, -0.0006559300000000 ] - [ -0.0001891800000000, -0.0041201400000000, -0.0007332500000000 ] - [ -0.0003475900000000, -0.0010602600000000, -0.0007081400000000 ] - [ -0.0000853800000000, 0.0001229300000000, 0.0006750600000000 ] - [ -0.0001183100000000, -0.0012237800000000, 0.0006544700000000 ] - [ -0.0001343300000000, 0.0003261500000000, -0.0008373300000000 ] - [ 0.0141156800000000, 0.0035269100000000, -0.0072720200000000 ] - [ -0.0058396100000000, 0.0352479500000000, 0.0165496000000000 ] - [ -0.0003885300000000, -0.0001926600000000, 0.0006425100000000 ] - [ 0.0002361100000000, -0.0057616200000000, 0.0006408700000000 ] - [ -0.0007159100000000, -0.0002253500000000, 0.0006742800000000 ] - [ 0.0003022100000000, 0.0007302800000000, -0.0005186500000000 ] - [ 0.0011962700000000, 0.0030891300000000, 0.0002063600000000 ] - [ -0.0137928200000000, 0.0058883700000000, -0.0103823400000000 ] - [ -0.0008040200000000, 0.0001111400000000, -0.0001011800000000 ] - [ 0.0024316600000000, 0.0009561400000000, 0.0004767000000000 ] - [ -0.0052243000000000, 0.0005110000000000, 0.0000478100000000 ] - [ 0.0006425100000000, -0.0013345400000000, 0.0004426400000000 ] - [ 0.0005966600000000, -0.0010810400000000, 0.0001753700000000 ] - [ -0.0007057700000000, 0.0042173200000000, 0.0000839300000000 ] - [ -0.0010062800000000, 0.0004888200000000, -0.0000785900000000 ] - [ 0.0072066900000000, -0.0836594800000000, -0.0272416400000000 ] - [ 0.0001567100000000, -0.0002225100000000, 0.0000586900000000 ] - [ -0.0004893100000000, 0.0007523700000000, 0.0000956000000000 ] - [ -0.0007068200000000, 0.0036624400000000, 0.0005011600000000 ] - [ -0.0013088700000000, -0.0004642100000000, 0.0003794700000000 ] - [ 0.0082402400000000, -0.0004012700000000, 0.0066850400000000 ] - [ 0.0006114200000000, 0.0013837900000000, 0.0002806900000000 ] - [ 0.0003144500000000, -0.0000499700000000, 0.0000135100000000 ] - [ -0.0003609700000000, 0.0024416400000000, 0.0001215100000000 ] - [ 0.0016218400000000, 0.0019829200000000, 0.0005041000000000 ] - [ 0.0042955800000000, -0.0041603600000000, 0.0036127500000000 ] - [ -0.0008679500000000, -0.0000506700000000, -0.0001614300000000 ] - [ 0.0068460000000000, 0.0024887700000000, -0.0062009200000000 ] - [ -0.0013007100000000, -0.0004598000000000, -0.0005800700000000 ] - [ -0.0006972800000000, -0.0002871700000000, 0.0001258200000000 ] - [ 0.0014715300000000, -0.0005438200000000, -0.0000807800000000 ] - [ 0.0002750800000000, 0.0132809900000000, -0.0010794500000000 ] - [ -0.0002577400000000, 0.0005215000000000, -0.0003600600000000 ] - [ 0.0001795100000000, -0.0002830700000000, 0.0004487300000000 ] - [ -0.0045582800000000, -0.0026637600000000, 0.0045786400000000 ] - [ 0.0002881300000000, -0.0004781800000000, 0.0002167200000000 ] - [ -0.0073044900000000, 0.0015169200000000, -0.0065620800000000 ] - [ 0.0004081000000000, 0.0008347500000000, -0.0007434600000000 ] - [ -0.0001941500000000, -0.0001759400000000, -0.0003878300000000 ] - [ 0.0004720100000000, 0.0010059800000000, -0.0003226100000000 ] - [ -0.0010507300000000, 0.0007860600000000, -0.0006096400000000 ] - [ -0.0132308700000000, -0.0048230500000000, 0.0123789400000000 ] - [ 0.0004516300000000, -0.0006803000000000, 0.0008178200000000 ] - [ 0.0024858200000000, 0.0053981800000000, 0.0021958300000000 ] - [ -0.0002553700000000, 0.0009249200000000, 0.0011113100000000 ] - [ -0.0029210900000000, -0.0064440700000000, 0.0007049300000000 ] - [ 0.0001816200000000, -0.0040173300000000, 0.0014304100000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001211900000000, 0.0020303500000000, 0.0001177400000000 ] - [ 0.0000881300000000, 0.0000224700000000, -0.0004666700000000 ] - [ -0.0002665100000000, -0.0011075200000000, 0.0005059600000000 ] - [ -0.0001204800000000, -0.0098201000000000, 0.0009496800000000 ] - [ -0.0000173800000000, 0.0004116200000000, 0.0005399300000000 ] - [ -0.0008852600000000, 0.0011844500000000, 0.0014017100000000 ] - [ -0.0015405800000000, -0.0158550800000000, -0.0053187600000000 ] - [ -0.0000019700000000, 0.0001082500000000, -0.0004925100000000 ] - [ -0.0027695800000000, -0.0012108500000000, 0.0002988700000000 ] - [ 0.0009821700000000, -0.0007777700000000, 0.0002547500000000 ] - [ 0.0007999300000000, 0.0012039300000000, 0.0008731600000000 ] - [ -0.0006169800000000, 0.0004700600000000, -0.0002319000000000 ] - [ -0.0023621600000000, -0.0110683600000000, 0.0003367500000000 ] - [ -0.0009042600000000, -0.0009269300000000, -0.0005176700000000 ] - [ 0.0002157800000000, 0.0008496800000000, 0.0001553300000000 ] - [ 0.0003554200000000, 0.0004768900000000, 0.0003273000000000 ] - [ -0.0004392500000000, 0.0004011200000000, 0.0004200800000000 ] - [ 0.0023937500000000, 0.0011871400000000, -0.0020549700000000 ] - [ -0.0008279400000000, 0.0091018300000000, -0.0054993000000000 ] - [ 0.0000081200000000, 0.0001934100000000, -0.0005167500000000 ] - [ 0.0002999400000000, -0.0023957600000000, 0.0013783800000000 ] - [ 0.0000294700000000, -0.0004050700000000, -0.0004476900000000 ] - [ -0.0004371900000000, 0.0001266100000000, 0.0006062200000000 ] - [ 0.0012178400000000, 0.0023774200000000, 0.0011925400000000 ] - [ -0.0011640800000000, -0.0007871900000000, 0.0002974300000000 ] - [ 0.0048684900000000, -0.0052440300000000, 0.0002164100000000 ] - [ 0.0023026600000000, 0.0079962700000000, 0.0025433500000000 ] - [ -0.0001485900000000, -0.0003024500000000, -0.0007421700000000 ] - [ 0.0008229000000000, -0.0015312600000000, 0.0010641000000000 ] - [ -0.0001385700000000, -0.0015464300000000, 0.0010275300000000 ] - [ 0.0010712800000000, -0.0036365300000000, 0.0030397000000000 ] - [ -0.0000338900000000, 0.0002970900000000, -0.0007063700000000 ] - [ -0.0003046400000000, 0.0008132600000000, -0.0007416600000000 ] - [ 0.0007088700000000, 0.0015191100000000, -0.0003796800000000 ] - [ 0.0002229700000000, -0.0007027000000000, -0.0025985300000000 ] - [ -0.0002684200000000, 0.0004120900000000, 0.0005428100000000 ] - [ 0.0005744200000000, -0.0112261200000000, -0.0018986300000000 ] - [ -0.0001802000000000, -0.0007693300000000, 0.0006899300000000 ] - [ -0.0003015300000000, -0.0001610100000000, -0.0008271400000000 ] - [ 0.0032190400000000, 0.0029348500000000, -0.0010280500000000 ] - [ 0.0023771100000000, -0.0020272000000000, -0.0000591700000000 ] - [ -0.0008114700000000, -0.0021050800000000, 0.0001171200000000 ] - [ -0.0027716800000000, 0.0036525100000000, -0.0010683200000000 ] - [ -0.0004760900000000, -0.0002616200000000, -0.0000513200000000 ] - [ -0.0015690400000000, 0.0033865100000000, 0.0017748700000000 ] - [ -0.0004727500000000, 0.0008841200000000, -0.0000002500000000 ] - [ 0.0011498600000000, 0.0001380400000000, -0.0003758500000000 ] - [ 0.0001500900000000, 0.0003382300000000, -0.0005486000000000 ] - [ 0.0004918100000000, 0.0014535300000000, 0.0007323600000000 ] - [ -0.0000803100000000, 0.0000355700000000, 0.0005091300000000 ] - [ -0.0003166600000000, -0.0005242800000000, -0.0003043100000000 ] - [ -0.0001286800000000, -0.0017917100000000, -0.0004315200000000 ] - [ 0.0003115800000000, 0.0003655900000000, -0.0002749000000000 ] - [ -0.0067376400000000, 0.0035868100000000, 0.0015801600000000 ] - [ 0.0014016500000000, -0.0030328500000000, -0.0017943700000000 ] - [ -0.0001920400000000, 0.0002248500000000, 0.0004962800000000 ] - [ -0.0000311800000000, -0.0016593400000000, -0.0000810500000000 ] - [ 0.0004726400000000, -0.0014633000000000, 0.0002645000000000 ] - [ -0.0002241800000000, 0.0010917700000000, 0.0002364500000000 ] - [ -0.0004503200000000, -0.0003092200000000, 0.0001376200000000 ] - [ -0.0037417300000000, -0.0068523300000000, -0.0001963200000000 ] - [ 0.0001677600000000, 0.0002533500000000, 0.0001258700000000 ] - [ 0.0008533500000000, 0.0017382700000000, 0.0000796300000000 ] - [ -0.0012030900000000, 0.0022143600000000, 0.0006679900000000 ] - [ 0.0015239200000000, 0.0011161100000000, 0.0007388900000000 ] - [ -0.0016202500000000, 0.0011487700000000, 0.0002768200000000 ] - [ -0.0024340100000000, 0.0007613100000000, -0.0037082400000000 ] - [ -0.0002927000000000, 0.0006360300000000, -0.0006822500000000 ] - [ -0.0005879300000000, 0.0027093400000000, -0.0005969900000000 ] - [ -0.0004205200000000, -0.0003501900000000, -0.0006317500000000 ] - [ 0.0000406400000000, 0.0008520900000000, 0.0007452500000000 ] - [ 0.0000797600000000, 0.0022031400000000, 0.0007708700000000 ] - [ 0.0012308300000000, -0.0005184500000000, -0.0004579400000000 ] - [ -0.0130834000000000, -0.0036995700000000, 0.0060270700000000 ] - [ 0.0046768600000000, -0.0349528900000000, -0.0149649300000000 ] - [ -0.0007063700000000, -0.0000112600000000, 0.0006499600000000 ] - [ -0.0013428500000000, 0.0059572100000000, 0.0006615800000000 ] - [ -0.0003809000000000, 0.0004242500000000, 0.0006201000000000 ] - [ 0.0007970400000000, -0.0005287700000000, -0.0007752600000000 ] - [ -0.0001016000000000, -0.0028894000000000, -0.0015124400000000 ] - [ 0.0122254300000000, -0.0058655900000000, 0.0103068200000000 ] - [ -0.0008434000000000, -0.0001114300000000, -0.0000532400000000 ] - [ -0.0007743900000000, -0.0009726300000000, -0.0003225700000000 ] - [ 0.0068354300000000, -0.0005366800000000, 0.0000966600000000 ] - [ 0.0010057100000000, 0.0013361000000000, -0.0002885700000000 ] - [ 0.0010537900000000, 0.0010850200000000, -0.0000176300000000 ] - [ -0.0009441600000000, -0.0042064400000000, -0.0002450500000000 ] - [ -0.0006431300000000, -0.0004782100000000, -0.0000731600000000 ] - [ -0.0063565400000000, 0.0840175900000000, 0.0268620300000000 ] - [ 0.0007470100000000, 0.0005647500000000, -0.0001519200000000 ] - [ -0.0004094800000000, -0.0004086700000000, -0.0000041300000000 ] - [ -0.0001993600000000, -0.0033184800000000, -0.0004002100000000 ] - [ 0.0004071500000000, 0.0001265700000000, -0.0002869700000000 ] - [ -0.0091793900000000, 0.0001113600000000, -0.0066162000000000 ] - [ 0.0002899100000000, -0.0017296100000000, -0.0003751400000000 ] - [ 0.0005878400000000, -0.0002938000000000, -0.0001044200000000 ] - [ 0.0014154800000000, -0.0015878600000000, 0.0003561400000000 ] - [ -0.0005908500000000, -0.0011272600000000, -0.0000301300000000 ] - [ -0.0053402000000000, 0.0049912100000000, -0.0041092800000000 ] - [ -0.0001745500000000, 0.0009018600000000, -0.0003187500000000 ] - [ -0.0078313900000000, -0.0033413200000000, 0.0056726900000000 ] - [ 0.0002570000000000, -0.0003989900000000, 0.0001043800000000 ] - [ 0.0017421400000000, -0.0005615700000000, 0.0003511200000000 ] - [ -0.0004325600000000, -0.0003048000000000, 0.0005577900000000 ] - [ -0.0002954300000000, -0.0129048000000000, 0.0003488100000000 ] - [ 0.0002387100000000, -0.0000337600000000, -0.0003677900000000 ] - [ -0.0001605600000000, 0.0007659900000000, 0.0002774700000000 ] - [ 0.0045764300000000, 0.0031274300000000, -0.0038613100000000 ] - [ -0.0002679400000000, -0.0000125500000000, 0.0005115800000000 ] - [ 0.0072671700000000, -0.0020231100000000, 0.0072473500000000 ] - [ -0.0004266200000000, -0.0013166800000000, 0.0000146600000000 ] - [ 0.0001756800000000, -0.0003076900000000, -0.0003392900000000 ] - [ -0.0010450800000000, -0.0010936200000000, -0.0011670100000000 ] - [ 0.0004639300000000, -0.0008726000000000, -0.0008800200000000 ] - [ 0.0138685800000000, 0.0048321100000000, -0.0109240500000000 ] - [ 0.0001315400000000, 0.0006054200000000, 0.0006777900000000 ] - [ -0.0018935900000000, -0.0053165400000000, -0.0006892800000000 ] - [ 0.0008298900000000, -0.0008411600000000, 0.0003785400000000 ] - [ 0.0022654800000000, 0.0065442200000000, -0.0022055100000000 ] - [ -0.0006960500000000, 0.0041185200000000, -0.0029401600000000 ]- atom: 89 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0002841700000000, 0.0001908200000000, -0.0018788700000000 ] - [ 0.0002459700000000, -0.0002151300000000, -0.0006684100000000 ] - [ 0.0017797000000000, -0.0000391800000000, 0.0009574300000000 ] - [ -0.0003408500000000, -0.0002789100000000, 0.0108895900000000 ] - [ -0.0004912100000000, 0.0002699100000000, 0.0001828400000000 ] - [ 0.0004980800000000, -0.0005296100000000, -0.0011300700000000 ] - [ 0.0011074600000000, 0.0040113600000000, 0.0097125000000000 ] - [ 0.0001833800000000, -0.0000020700000000, -0.0002843200000000 ] - [ 0.0035422200000000, -0.0013002100000000, 0.0029599700000000 ] - [ -0.0009160400000000, -0.0009437000000000, 0.0012165000000000 ] - [ -0.0012696700000000, -0.0008256500000000, -0.0019717600000000 ] - [ -0.0001207100000000, 0.0003992700000000, -0.0004958200000000 ] - [ -0.0013309200000000, -0.0013510900000000, 0.0107498500000000 ] - [ -0.0017125900000000, -0.0002838200000000, -0.0004323600000000 ] - [ -0.0002594800000000, -0.0002791500000000, -0.0005291900000000 ] - [ 0.0006954200000000, -0.0002068900000000, -0.0001565300000000 ] - [ -0.0003654100000000, 0.0003953400000000, 0.0002945200000000 ] - [ 0.0014017600000000, 0.0015640500000000, -0.0024787400000000 ] - [ -0.0001300600000000, 0.0014198400000000, 0.0107179300000000 ] - [ 0.0001556900000000, 0.0004901000000000, -0.0001135700000000 ] - [ 0.0002796900000000, 0.0000863900000000, -0.0063026800000000 ] - [ 0.0001134100000000, -0.0001934100000000, -0.0009466100000000 ] - [ 0.0001125300000000, -0.0004896400000000, 0.0005434000000000 ] - [ -0.0010562900000000, -0.0014747600000000, 0.0009412300000000 ] - [ -0.0016815500000000, -0.0002468900000000, 0.0009263100000000 ] - [ 0.0086658000000000, 0.0007267800000000, 0.0028609800000000 ] - [ 0.0001799600000000, -0.0038449200000000, 0.0017651000000000 ] - [ 0.0001480200000000, -0.0003991600000000, -0.0004935300000000 ] - [ -0.0007243000000000, -0.0005218200000000, -0.0013446600000000 ] - [ 0.0009858700000000, -0.0005422800000000, -0.0014008800000000 ] - [ -0.0004632300000000, 0.0010154700000000, -0.0057611000000000 ] - [ -0.0001171000000000, 0.0005151300000000, -0.0010277600000000 ] - [ 0.0001521200000000, 0.0004253700000000, -0.0011710000000000 ] - [ -0.0003014400000000, -0.0001888200000000, -0.0022419000000000 ] - [ -0.0002574100000000, 0.0026159400000000, -0.0037085900000000 ] - [ -0.0000513200000000, 0.0006723200000000, 0.0004402200000000 ] - [ 0.0004398400000000, 0.0055255800000000, 0.0180859400000000 ] - [ -0.0000876500000000, -0.0005651200000000, 0.0009460000000000 ] - [ -0.0000376600000000, -0.0004104600000000, -0.0002013400000000 ] - [ 0.0020520300000000, 0.0023073600000000, 0.0011606700000000 ] - [ -0.0012614000000000, -0.0012228900000000, 0.0020929700000000 ] - [ 0.0013208600000000, -0.0002846300000000, 0.0018499600000000 ] - [ -0.0025285300000000, 0.0028401300000000, 0.0005898300000000 ] - [ -0.0003270900000000, -0.0006147300000000, 0.0001986000000000 ] - [ 0.0001391600000000, -0.0010177900000000, -0.0017962500000000 ] - [ -0.0006827100000000, 0.0004981800000000, -0.0002111200000000 ] - [ 0.0010954600000000, 0.0011614900000000, -0.0013114900000000 ] - [ 0.0001202700000000, 0.0011309900000000, -0.0009440800000000 ] - [ -0.0000908300000000, -0.0006203900000000, -0.0002222800000000 ] - [ 0.0002304300000000, -0.0002194400000000, 0.0003450200000000 ] - [ 0.0001765100000000, 0.0000385100000000, -0.0010360600000000 ] - [ -0.0017642700000000, 0.0003661400000000, -0.0026644400000000 ] - [ -0.0006485000000000, 0.0000535700000000, -0.0000698400000000 ] - [ 0.0036965500000000, -0.0022580700000000, 0.0020392300000000 ] - [ 0.0008742400000000, 0.0021598500000000, 0.0047415400000000 ] - [ 0.0000803500000000, 0.0003198100000000, 0.0006050000000000 ] - [ 0.0017653300000000, -0.0002864700000000, -0.0019800900000000 ] - [ -0.0005656300000000, -0.0005742400000000, -0.0010586400000000 ] - [ 0.0002715400000000, -0.0009340000000000, -0.0011457800000000 ] - [ -0.0003183500000000, -0.0006075700000000, -0.0001246600000000 ] - [ -0.0062912100000000, 0.0005585300000000, 0.0068831300000000 ] - [ 0.0009599200000000, 0.0005941000000000, 0.0004487900000000 ] - [ -0.0006016600000000, 0.0008861500000000, 0.0006053700000000 ] - [ 0.0011635800000000, 0.0005798600000000, 0.0000152400000000 ] - [ 0.0009442500000000, 0.0011393000000000, 0.0020308600000000 ] - [ 0.0001663100000000, 0.0014689100000000, 0.0021569900000000 ] - [ -0.0018083800000000, 0.0020159500000000, -0.0046869400000000 ] - [ -0.0001687400000000, 0.0007512500000000, -0.0009073200000000 ] - [ -0.0000278400000000, -0.0016437000000000, -0.0001735400000000 ] - [ -0.0003653300000000, -0.0007474600000000, -0.0005042900000000 ] - [ 0.0000623100000000, 0.0005290500000000, 0.0004267500000000 ] - [ -0.0005893200000000, 0.0003499000000000, -0.0002287500000000 ] - [ 0.0011434200000000, -0.0008342300000000, -0.0007668800000000 ] - [ -0.0091868900000000, -0.0083901800000000, 0.0038475900000000 ] - [ -0.0040598800000000, 0.0179020500000000, -0.0135707600000000 ] - [ -0.0004070100000000, -0.0003156400000000, 0.0000230100000000 ] - [ 0.0006307600000000, -0.0018781300000000, 0.0089944900000000 ] - [ -0.0007051800000000, -0.0001048300000000, 0.0012745100000000 ] - [ 0.0003447200000000, 0.0002038500000000, -0.0003856100000000 ] - [ 0.0011824500000000, 0.0009500900000000, 0.0001485800000000 ] - [ 0.0089045900000000, -0.0108984400000000, 0.0076524400000000 ] - [ -0.0013670300000000, -0.0002503700000000, 0.0000178600000000 ] - [ 0.0016882700000000, 0.0005088900000000, -0.0020708100000000 ] - [ -0.0016586700000000, -0.0006447100000000, -0.0021995500000000 ] - [ 0.0000143300000000, -0.0008917700000000, 0.0027620700000000 ] - [ 0.0026445400000000, -0.0004340500000000, 0.0026049700000000 ] - [ -0.0009537900000000, 0.0019963400000000, 0.0006495600000000 ] - [ -0.0007441200000000, 0.0001846300000000, -0.0000529200000000 ] - [ -0.0004051200000000, -0.0269893700000000, -0.0821609800000000 ] - [ 0.0003047800000000, 0.0002839200000000, -0.0009594600000000 ] - [ -0.0000945400000000, 0.0001223000000000, 0.0000927300000000 ] - [ -0.0012710900000000, -0.0002837700000000, 0.0009376500000000 ] - [ -0.0013694400000000, 0.0001790600000000, 0.0004791600000000 ] - [ 0.0090723000000000, 0.0062667200000000, 0.0064864500000000 ] - [ 0.0004381000000000, -0.0004883800000000, 0.0026797700000000 ] - [ 0.0004631300000000, -0.0002341700000000, 0.0003176800000000 ] - [ 0.0005078700000000, 0.0009947000000000, -0.0015681400000000 ] - [ 0.0001232500000000, 0.0005085700000000, -0.0013211100000000 ] - [ 0.0063142700000000, 0.0025944100000000, 0.0090802800000000 ] - [ -0.0009746900000000, 0.0006453900000000, -0.0000288200000000 ] - [ -0.0033922000000000, -0.0056494300000000, 0.0010416500000000 ] - [ -0.0002953200000000, -0.0008309900000000, -0.0002089000000000 ] - [ 0.0010390400000000, -0.0005255000000000, 0.0022609900000000 ] - [ 0.0001070800000000, -0.0004150500000000, 0.0018090500000000 ] - [ 0.0006895100000000, 0.0020911500000000, -0.0068493700000000 ] - [ -0.0000793800000000, 0.0003473900000000, -0.0008946900000000 ] - [ 0.0006308300000000, 0.0004846900000000, 0.0006264200000000 ] - [ -0.0065760300000000, 0.0031278600000000, 0.0076434000000000 ] - [ -0.0004582900000000, -0.0007231500000000, 0.0005526900000000 ] - [ 0.0042098100000000, -0.0057494500000000, 0.0026048700000000 ] - [ 0.0000489200000000, 0.0001164900000000, 0.0036935700000000 ] - [ -0.0000200300000000, -0.0001898900000000, 0.0001492200000000 ] - [ -0.0000252600000000, -0.0002391900000000, 0.0015339600000000 ] - [ -0.0005709400000000, -0.0001672000000000, 0.0009645400000000 ] - [ -0.0151566400000000, 0.0088907600000000, 0.0141738300000000 ] - [ 0.0010320600000000, 0.0004608400000000, 0.0012261900000000 ] - [ 0.0017876200000000, -0.0003846300000000, 0.0023688200000000 ] - [ -0.0002392500000000, -0.0000780500000000, 0.0009310300000000 ] - [ 0.0007549900000000, 0.0022043700000000, -0.0136564400000000 ] - [ -0.0004013700000000, 0.0026174600000000, -0.0095095700000000 ]- atom: 89 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ 0.0001262400000000, -0.0006768900000000, 0.0008741600000000 ] - [ 0.0001652000000000, -0.0002710400000000, -0.0003412800000000 ] - [ -0.0021830900000000, -0.0004470800000000, 0.0000540900000000 ] - [ -0.0002923000000000, -0.0001806900000000, -0.0099511400000000 ] - [ 0.0000775200000000, 0.0002157600000000, 0.0008270200000000 ] - [ -0.0009012200000000, 0.0010052300000000, 0.0021365900000000 ] - [ -0.0006334800000000, -0.0040011000000000, -0.0110229600000000 ] - [ 0.0002244300000000, 0.0004856300000000, -0.0007245000000000 ] - [ -0.0029037200000000, 0.0019026500000000, -0.0023702300000000 ] - [ 0.0015433500000000, 0.0015373400000000, -0.0006354700000000 ] - [ 0.0006300800000000, 0.0014222800000000, 0.0013834800000000 ] - [ -0.0005116300000000, 0.0002099800000000, -0.0000899500000000 ] - [ 0.0010404900000000, 0.0008029800000000, -0.0115268200000000 ] - [ 0.0010590200000000, -0.0003279400000000, -0.0001599800000000 ] - [ 0.0008900600000000, -0.0003308400000000, 0.0011142500000000 ] - [ -0.0000591000000000, -0.0004022700000000, 0.0007427800000000 ] - [ 0.0001300400000000, 0.0001260900000000, 0.0007333500000000 ] - [ -0.0016304400000000, -0.0010355700000000, 0.0035060200000000 ] - [ 0.0003632300000000, -0.0007801700000000, -0.0117627500000000 ] - [ 0.0000765100000000, 0.0000325200000000, -0.0009111900000000 ] - [ -0.0000415500000000, -0.0006126200000000, 0.0052576800000000 ] - [ 0.0001195300000000, -0.0003264800000000, -0.0000818900000000 ] - [ -0.0003459600000000, -0.0000322700000000, 0.0004819900000000 ] - [ 0.0008183500000000, 0.0009552700000000, 0.0000814900000000 ] - [ 0.0016397900000000, -0.0007321000000000, 0.0004965300000000 ] - [ -0.0086569800000000, -0.0016983300000000, -0.0013881300000000 ] - [ -0.0001322500000000, 0.0028654900000000, -0.0031667200000000 ] - [ -0.0001092700000000, -0.0005806100000000, -0.0009259100000000 ] - [ 0.0014824400000000, -0.0008889800000000, 0.0026617800000000 ] - [ -0.0002053300000000, -0.0008679100000000, 0.0027215400000000 ] - [ 0.0004837100000000, -0.0000093900000000, 0.0043491900000000 ] - [ 0.0001549700000000, 0.0004646000000000, -0.0003963600000000 ] - [ 0.0000123800000000, 0.0006838900000000, -0.0002016000000000 ] - [ 0.0004688900000000, 0.0013020300000000, 0.0008656600000000 ] - [ 0.0000908600000000, -0.0015420800000000, 0.0050985000000000 ] - [ -0.0001164300000000, 0.0004356800000000, 0.0009272500000000 ] - [ -0.0005790400000000, -0.0059929000000000, -0.0160529800000000 ] - [ -0.0000790600000000, -0.0005431600000000, 0.0004265800000000 ] - [ 0.0002036800000000, -0.0006980300000000, -0.0011675600000000 ] - [ -0.0018800900000000, -0.0034049300000000, -0.0025200800000000 ] - [ 0.0024389800000000, -0.0001836300000000, -0.0021871200000000 ] - [ -0.0001361600000000, -0.0011142300000000, -0.0019391200000000 ] - [ 0.0013392500000000, -0.0042315300000000, -0.0004815300000000 ] - [ -0.0008570200000000, -0.0007893400000000, -0.0000915200000000 ] - [ -0.0013189400000000, 0.0024248500000000, 0.0018870000000000 ] - [ -0.0005021100000000, 0.0009039100000000, 0.0003136600000000 ] - [ 0.0000864800000000, 0.0002421100000000, 0.0012003900000000 ] - [ 0.0010681400000000, 0.0002703000000000, 0.0008325000000000 ] - [ 0.0004109700000000, 0.0002646400000000, 0.0011235900000000 ] - [ 0.0000895900000000, -0.0001337200000000, 0.0005631600000000 ] - [ -0.0005011800000000, -0.0003913000000000, 0.0001235500000000 ] - [ 0.0014723500000000, -0.0007198400000000, 0.0017533000000000 ] - [ 0.0003257800000000, 0.0002987800000000, -0.0008369400000000 ] - [ -0.0040040400000000, 0.0025973400000000, -0.0029248600000000 ] - [ -0.0005561700000000, -0.0020425200000000, -0.0035986800000000 ] - [ 0.0002395500000000, 0.0000326400000000, 0.0003060500000000 ] - [ -0.0012583100000000, -0.0009813800000000, 0.0017743600000000 ] - [ 0.0010815000000000, -0.0006893500000000, 0.0008542100000000 ] - [ -0.0007815100000000, -0.0003376000000000, 0.0013332900000000 ] - [ -0.0001904100000000, -0.0006592600000000, 0.0003173400000000 ] - [ 0.0058440800000000, 0.0006681900000000, -0.0065641600000000 ] - [ -0.0014662500000000, 0.0006708300000000, -0.0002501200000000 ] - [ 0.0011106300000000, 0.0003797000000000, -0.0007971600000000 ] - [ -0.0006543400000000, 0.0006897900000000, -0.0002053900000000 ] - [ -0.0001731900000000, 0.0002734000000000, -0.0007036500000000 ] - [ 0.0005987100000000, -0.0000505700000000, -0.0008293100000000 ] - [ 0.0010291200000000, -0.0005903900000000, 0.0033626100000000 ] - [ -0.0005987400000000, 0.0006606700000000, -0.0004152100000000 ] - [ -0.0007337900000000, 0.0002298000000000, -0.0011551500000000 ] - [ -0.0004046500000000, -0.0006642700000000, -0.0008199000000000 ] - [ -0.0001025400000000, 0.0004506100000000, 0.0009921200000000 ] - [ 0.0005506600000000, 0.0006295600000000, 0.0016433200000000 ] - [ -0.0000375000000000, 0.0006378700000000, -0.0005330500000000 ] - [ 0.0102514300000000, 0.0081424500000000, -0.0051507600000000 ] - [ 0.0029505100000000, -0.0180949700000000, 0.0147027100000000 ] - [ -0.0006948400000000, 0.0001191700000000, 0.0012723400000000 ] - [ -0.0017533800000000, 0.0020714600000000, -0.0077239700000000 ] - [ -0.0003956300000000, 0.0002992800000000, 0.0000254200000000 ] - [ 0.0007598200000000, -0.0000088300000000, -0.0009087100000000 ] - [ -0.0000751900000000, -0.0007545900000000, -0.0014337200000000 ] - [ -0.0104951500000000, 0.0107948700000000, -0.0078040800000000 ] - [ -0.0002881500000000, 0.0002416200000000, -0.0001798600000000 ] - [ -0.0000344500000000, -0.0005157000000000, 0.0022213500000000 ] - [ 0.0033128000000000, 0.0006247900000000, 0.0023439000000000 ] - [ 0.0016449900000000, 0.0009011500000000, -0.0025914700000000 ] - [ -0.0010132100000000, 0.0004437200000000, -0.0024348300000000 ] - [ -0.0007069500000000, -0.0019801900000000, -0.0007899200000000 ] - [ -0.0009094200000000, -0.0001736100000000, -0.0001041000000000 ] - [ 0.0009268400000000, 0.0273816700000000, 0.0816656300000000 ] - [ 0.0006008900000000, 0.0000611200000000, 0.0008632400000000 ] - [ -0.0008066100000000, 0.0002230700000000, -0.0000019200000000 ] - [ 0.0003669800000000, 0.0006272900000000, -0.0008496600000000 ] - [ 0.0004667600000000, -0.0005221300000000, -0.0003830800000000 ] - [ -0.0100535000000000, -0.0066680000000000, -0.0063939700000000 ] - [ 0.0004650300000000, 0.0001615200000000, -0.0027744900000000 ] - [ 0.0004407300000000, -0.0001103400000000, -0.0004082900000000 ] - [ 0.0005331300000000, -0.0001416100000000, 0.0020399600000000 ] - [ 0.0009203600000000, 0.0003455500000000, 0.0017926500000000 ] - [ -0.0072708900000000, -0.0017046700000000, -0.0094754500000000 ] - [ -0.0000717800000000, 0.0002099600000000, -0.0004512800000000 ] - [ 0.0023637200000000, 0.0048179900000000, -0.0014871600000000 ] - [ -0.0007442500000000, -0.0000267200000000, -0.0002622900000000 ] - [ 0.0000103700000000, -0.0003313500000000, -0.0017799100000000 ] - [ 0.0009314100000000, -0.0004408400000000, -0.0013296900000000 ] - [ -0.0007068500000000, -0.0015919700000000, 0.0061069000000000 ] - [ 0.0000602000000000, 0.0001368900000000, 0.0001685300000000 ] - [ -0.0006072200000000, -0.0000004900000000, 0.0000955100000000 ] - [ 0.0065245300000000, -0.0026040400000000, -0.0068742400000000 ] - [ 0.0004766300000000, 0.0002377000000000, 0.0001751000000000 ] - [ -0.0042202000000000, 0.0052934900000000, -0.0018445300000000 ] - [ -0.0000720800000000, -0.0006150300000000, -0.0044139900000000 ] - [ 0.0000015500000000, -0.0002929600000000, -0.0008717700000000 ] - [ -0.0005481500000000, 0.0001587900000000, -0.0030158800000000 ] - [ -0.0000172500000000, 0.0000876100000000, -0.0024476700000000 ] - [ 0.0158717000000000, -0.0090837000000000, -0.0127077700000000 ] - [ -0.0004479500000000, -0.0005375800000000, 0.0002750000000000 ] - [ -0.0012079900000000, 0.0004665500000000, -0.0008882100000000 ] - [ 0.0008187800000000, 0.0001604600000000, 0.0005542600000000 ] - [ -0.0013755500000000, -0.0021090200000000, 0.0121282900000000 ] - [ -0.0001312300000000, -0.0025099300000000, 0.0079618600000000 ]- atom: 97 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ -0.0008251700000000, -0.0008782100000000, 0.0006648200000000 ] - [ -0.0010670600000000, 0.0003625300000000, -0.0008524100000000 ] - [ 0.0019655400000000, -0.0004698000000000, 0.0004402400000000 ] - [ -0.0019102000000000, -0.0002757400000000, 0.0006511100000000 ] - [ 0.0014786300000000, 0.0010593700000000, 0.0002482200000000 ] - [ -0.0016720500000000, 0.0000966400000000, 0.0006231600000000 ] - [ -0.0010257600000000, 0.0038194100000000, -0.0019167100000000 ] - [ -0.0024968100000000, -0.0024332100000000, 0.0007315200000000 ] - [ 0.0096652400000000, -0.0007414600000000, 0.0019927800000000 ] - [ -0.0016781000000000, 0.0002754200000000, 0.0000459000000000 ] - [ 0.0010675800000000, -0.0002543200000000, -0.0001614000000000 ] - [ -0.0016085600000000, 0.0005332200000000, -0.0006332200000000 ] - [ 0.0013489400000000, -0.0005192600000000, -0.0000685900000000 ] - [ -0.0018679100000000, -0.0006581900000000, -0.0005051900000000 ] - [ 0.0039315500000000, -0.0005399400000000, 0.0014138900000000 ] - [ -0.0013389700000000, -0.0002271200000000, 0.0000275100000000 ] - [ 0.0004458100000000, -0.0019211600000000, -0.0045595300000000 ] - [ -0.0014903200000000, 0.0004002600000000, 0.0008561600000000 ] - [ -0.0011244500000000, -0.0013990200000000, -0.0005306600000000 ] - [ -0.0004331000000000, 0.0014428700000000, -0.0003240600000000 ] - [ -0.0002570400000000, -0.0001406800000000, -0.0006508000000000 ] - [ 0.0000574300000000, -0.0004431100000000, -0.0005528100000000 ] - [ 0.0144930900000000, 0.0001783500000000, -0.0022504800000000 ] - [ -0.0029653700000000, -0.0001402000000000, -0.0002439700000000 ] - [ 0.0023945600000000, -0.0057063400000000, 0.0009178200000000 ] - [ -0.0016830800000000, 0.0003014300000000, 0.0002770400000000 ] - [ -0.0019343000000000, -0.0037017100000000, 0.0012448600000000 ] - [ -0.0017101200000000, 0.0008160500000000, -0.0017931600000000 ] - [ 0.0019293700000000, -0.0007194300000000, 0.0005486500000000 ] - [ -0.0006686000000000, -0.0007845900000000, 0.0005930700000000 ] - [ -0.0001931500000000, 0.0014369900000000, -0.0011860600000000 ] - [ -0.0002671500000000, -0.0001523000000000, -0.0004097400000000 ] - [ 0.0015465200000000, -0.0015508900000000, 0.0045091000000000 ] - [ -0.0015830800000000, 0.0012144000000000, -0.0012538900000000 ] - [ -0.0005245900000000, 0.0000422700000000, 0.0004177900000000 ] - [ -0.0002253100000000, 0.0008102400000000, 0.0007157500000000 ] - [ -0.0004196800000000, -0.0013528600000000, 0.0012974000000000 ] - [ -0.0006045200000000, -0.0000886400000000, 0.0001339500000000 ] - [ 0.0157661800000000, 0.0021343400000000, 0.0057720900000000 ] - [ -0.0023042100000000, -0.0003733800000000, -0.0001604700000000 ] - [ 0.0024689600000000, -0.0009395300000000, -0.0003899000000000 ] - [ -0.0005817300000000, -0.0009695100000000, -0.0000012500000000 ] - [ 0.0019363500000000, 0.0003247000000000, 0.0057200000000000 ] - [ -0.0025251700000000, -0.0004918100000000, -0.0004992800000000 ] - [ 0.0008935300000000, 0.0043931800000000, -0.0042496600000000 ] - [ -0.0020425400000000, 0.0001886700000000, 0.0004212800000000 ] - [ 0.0022065400000000, 0.0004742500000000, -0.0002191400000000 ] - [ -0.0004017200000000, 0.0008265300000000, -0.0000259900000000 ] - [ -0.0037838400000000, -0.0002898300000000, -0.0027445500000000 ] - [ -0.0035005600000000, 0.0007285800000000, 0.0032908800000000 ] - [ 0.0012703600000000, -0.0005718800000000, -0.0001139200000000 ] - [ -0.0017292600000000, -0.0001488300000000, -0.0006382300000000 ] - [ 0.0023453100000000, 0.0026559200000000, -0.0012067800000000 ] - [ -0.0029466500000000, -0.0002092500000000, -0.0004613200000000 ] - [ -0.0026525700000000, 0.0020534200000000, 0.0010676200000000 ] - [ -0.0043409500000000, -0.0026488300000000, -0.0009212300000000 ] - [ 0.0021308000000000, -0.0000803100000000, -0.0005308700000000 ] - [ -0.0010038700000000, -0.0009524300000000, 0.0001613200000000 ] - [ 0.0028717200000000, -0.0039564700000000, -0.0054834700000000 ] - [ -0.0020068700000000, 0.0003112300000000, 0.0008852200000000 ] - [ 0.0014355300000000, 0.0036653900000000, -0.0003908600000000 ] - [ -0.0021325900000000, -0.0002606800000000, 0.0006156500000000 ] - [ 0.0084505200000000, -0.0007805800000000, -0.0010934100000000 ] - [ -0.0014727200000000, 0.0011022100000000, 0.0002462600000000 ] - [ 0.0075090400000000, 0.0010807700000000, 0.0008229400000000 ] - [ -0.0010342800000000, 0.0007804900000000, 0.0005573500000000 ] - [ 0.0001755000000000, 0.0029215000000000, 0.0020020900000000 ] - [ -0.0018856800000000, 0.0004824200000000, -0.0013018900000000 ] - [ 0.0150880700000000, 0.0023640000000000, 0.0033210900000000 ] - [ -0.0031412800000000, -0.0002276400000000, 0.0000328000000000 ] - [ 0.0033875100000000, 0.0044495900000000, 0.0055046300000000 ] - [ -0.0018941100000000, -0.0004364300000000, -0.0000350700000000 ] - [ 0.0039497300000000, 0.0135939700000000, 0.0087803600000000 ] - [ 0.0035644000000000, -0.0008442500000000, -0.0013154000000000 ] - [ 0.0024705600000000, 0.0029970800000000, 0.0002265000000000 ] - [ 0.0005411900000000, -0.0022175000000000, 0.0010482900000000 ] - [ 0.0006435300000000, -0.0000771500000000, 0.0009154800000000 ] - [ -0.0011065700000000, 0.0004132200000000, 0.0006611600000000 ] - [ 0.0025207100000000, -0.0040431400000000, -0.0173550400000000 ] - [ 0.0046707400000000, 0.0002860300000000, 0.0002110000000000 ] - [ 0.0014181000000000, -0.0096401300000000, -0.0035311500000000 ] - [ 0.0030513000000000, 0.0005427300000000, 0.0007424300000000 ] - [ -0.0080620500000000, -0.0011069600000000, 0.0021477200000000 ] - [ 0.0034205500000000, -0.0002360800000000, 0.0001530400000000 ] - [ -0.0013045500000000, -0.0000842600000000, 0.0002201200000000 ] - [ 0.0025396600000000, 0.0001808900000000, 0.0001649400000000 ] - [ 0.0018485500000000, 0.0002048600000000, 0.0190088400000000 ] - [ 0.0029375300000000, -0.0002865200000000, -0.0009408100000000 ] - [ 0.0009354300000000, -0.0007143100000000, -0.0000479800000000 ] - [ 0.0010230000000000, 0.0012807300000000, -0.0004326300000000 ] - [ -0.0025025100000000, -0.0046531500000000, 0.0068022800000000 ] - [ 0.0019003200000000, 0.0005185900000000, -0.0003539300000000 ] - [ -0.0021151200000000, 0.0071852200000000, -0.0028719200000000 ] - [ 0.0017948400000000, -0.0009488100000000, 0.0003163300000000 ] - [ 0.0011587700000000, 0.0010469500000000, 0.0004815700000000 ] - [ 0.0009162100000000, -0.0011254400000000, -0.0004494700000000 ] - [ -0.0878465500000000, -0.0088524200000000, -0.0167451600000000 ] - [ 0.0036590300000000, 0.0005444600000000, 0.0003238900000000 ] - [ -0.0019985900000000, 0.0000754200000000, -0.0006603100000000 ] - [ 0.0008846500000000, 0.0006278100000000, 0.0000856400000000 ] - [ -0.0024527900000000, 0.0046371000000000, 0.0007081200000000 ] - [ 0.0011229400000000, -0.0008849200000000, -0.0004336000000000 ] - [ -0.0045367200000000, -0.0004348600000000, 0.0001019300000000 ] - [ 0.0027717300000000, -0.0005116500000000, 0.0003914300000000 ] - [ 0.0153338200000000, -0.0025116700000000, -0.0020922000000000 ] - [ 0.0133108800000000, 0.0014470300000000, 0.0002104200000000 ] - [ -0.0012115100000000, 0.0006376600000000, 0.0011870000000000 ] - [ 0.0013526000000000, 0.0002684800000000, 0.0000905100000000 ] - [ -0.0012971900000000, -0.0026349100000000, -0.0002248800000000 ] - [ 0.0017711400000000, 0.0002114200000000, 0.0006317100000000 ] - [ 0.0011436300000000, -0.0009618700000000, -0.0000819700000000 ] - [ 0.0014861300000000, 0.0002600300000000, -0.0003752900000000 ] - [ -0.0071934500000000, 0.0006094100000000, -0.0014391400000000 ] - [ 0.0029850100000000, -0.0002490100000000, -0.0004087100000000 ] - [ -0.0027861900000000, -0.0068645800000000, 0.0032145000000000 ] - [ 0.0038978800000000, 0.0010660900000000, 0.0000531000000000 ] - [ -0.0020699000000000, 0.0068128300000000, -0.0085451400000000 ] - [ 0.0039372400000000, -0.0006246200000000, 0.0018905500000000 ] - [ -0.0068669700000000, -0.0006179000000000, -0.0023760600000000 ] - [ 0.0030837400000000, 0.0003870200000000, -0.0005000700000000 ]- atom: 97 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ 0.0012212600000000, 0.0003853500000000, -0.0016709500000000 ] - [ 0.0014755600000000, -0.0008521800000000, -0.0001548500000000 ] - [ -0.0023455500000000, -0.0000185800000000, 0.0005626000000000 ] - [ 0.0015057800000000, -0.0002156500000000, 0.0003545200000000 ] - [ -0.0018756400000000, -0.0005667000000000, 0.0007640900000000 ] - [ 0.0012672800000000, 0.0003944700000000, 0.0003827300000000 ] - [ 0.0014249900000000, -0.0033604900000000, 0.0009258300000000 ] - [ 0.0028929300000000, 0.0029066900000000, -0.0017288500000000 ] - [ -0.0089929000000000, 0.0012843400000000, -0.0013945800000000 ] - [ 0.0023154900000000, 0.0003252300000000, 0.0005392100000000 ] - [ -0.0017133400000000, 0.0008561300000000, -0.0004120500000000 ] - [ 0.0009732900000000, 0.0000756600000000, 0.0000461100000000 ] - [ -0.0020088900000000, -0.0000732200000000, -0.0005229900000000 ] - [ 0.0012322100000000, 0.0000493600000000, -0.0000809800000000 ] - [ -0.0032916100000000, -0.0000605100000000, -0.0008128100000000 ] - [ 0.0019766100000000, -0.0003759800000000, 0.0005575400000000 ] - [ -0.0006835900000000, 0.0024325400000000, 0.0055680800000000 ] - [ 0.0012526800000000, 0.0001128100000000, 0.0001552600000000 ] - [ 0.0013565500000000, 0.0019220800000000, -0.0004795000000000 ] - [ 0.0006733900000000, -0.0009196700000000, -0.0006894100000000 ] - [ 0.0004875500000000, -0.0003739000000000, -0.0003613000000000 ] - [ 0.0001810700000000, -0.0000725500000000, -0.0004576000000000 ] - [ -0.0138773300000000, -0.0006648800000000, 0.0026694500000000 ] - [ 0.0027375200000000, -0.0003738400000000, 0.0012671900000000 ] - [ -0.0024252500000000, 0.0047124800000000, 0.0005081500000000 ] - [ 0.0016355400000000, -0.0012763400000000, 0.0011403200000000 ] - [ 0.0019802100000000, 0.0027499100000000, -0.0026925100000000 ] - [ 0.0017555400000000, -0.0017776000000000, 0.0003684600000000 ] - [ -0.0011618500000000, -0.0006871100000000, 0.0007896900000000 ] - [ 0.0014337800000000, -0.0006223400000000, 0.0007471800000000 ] - [ 0.0002357500000000, -0.0004680400000000, -0.0002305200000000 ] - [ 0.0003175100000000, 0.0011214000000000, -0.0010058800000000 ] - [ -0.0013800300000000, 0.0026410000000000, -0.0058467300000000 ] - [ 0.0017467800000000, -0.0001138600000000, -0.0001022800000000 ] - [ 0.0003539000000000, 0.0010588000000000, 0.0009406200000000 ] - [ 0.0000651800000000, 0.0002916400000000, 0.0006434500000000 ] - [ 0.0002490700000000, 0.0002577700000000, 0.0000601000000000 ] - [ 0.0004438800000000, -0.0010097400000000, 0.0012237500000000 ] - [ -0.0149067800000000, -0.0029328600000000, -0.0065122500000000 ] - [ 0.0024749200000000, -0.0007330300000000, -0.0012082700000000 ] - [ -0.0012865400000000, -0.0005029900000000, 0.0002928900000000 ] - [ 0.0017611600000000, -0.0004416500000000, -0.0001047500000000 ] - [ -0.0033301900000000, -0.0016616500000000, -0.0054463200000000 ] - [ 0.0013443500000000, -0.0009216100000000, 0.0005996300000000 ] - [ -0.0020852100000000, -0.0030043500000000, 0.0043696400000000 ] - [ 0.0008627500000000, 0.0012210000000000, -0.0003128900000000 ] - [ -0.0010276400000000, 0.0009414800000000, 0.0001113100000000 ] - [ 0.0015799500000000, 0.0005864900000000, -0.0000782700000000 ] - [ 0.0040927800000000, -0.0000563500000000, 0.0036517600000000 ] - [ 0.0038240800000000, -0.0010827500000000, -0.0023816900000000 ] - [ -0.0015808700000000, 0.0002203500000000, -0.0007996900000000 ] - [ 0.0014077200000000, -0.0002024800000000, -0.0002741800000000 ] - [ -0.0026252500000000, -0.0022900100000000, 0.0002932800000000 ] - [ 0.0026296500000000, 0.0005627900000000, -0.0004511500000000 ] - [ 0.0029584800000000, -0.0017051500000000, -0.0001621100000000 ] - [ 0.0046661800000000, 0.0030006400000000, 0.0018256600000000 ] - [ -0.0016202100000000, -0.0011848300000000, 0.0003201800000000 ] - [ 0.0015093100000000, -0.0003196600000000, -0.0003548600000000 ] - [ -0.0033847400000000, 0.0026990000000000, 0.0057022900000000 ] - [ 0.0015010400000000, -0.0015802100000000, -0.0006876200000000 ] - [ -0.0019580300000000, -0.0024008200000000, 0.0005974400000000 ] - [ 0.0016282400000000, 0.0015309400000000, -0.0004223800000000 ] - [ -0.0079441100000000, 0.0020318700000000, 0.0009338700000000 ] - [ 0.0019762900000000, 0.0001719500000000, -0.0004402000000000 ] - [ -0.0067315800000000, 0.0002653800000000, 0.0004914600000000 ] - [ 0.0017998300000000, 0.0006278100000000, 0.0007830200000000 ] - [ -0.0009416700000000, -0.0015136800000000, -0.0033359900000000 ] - [ 0.0011207900000000, 0.0009234100000000, -0.0000382900000000 ] - [ -0.0167469800000000, -0.0040715600000000, -0.0052982600000000 ] - [ 0.0023690900000000, -0.0011768200000000, -0.0013642700000000 ] - [ -0.0034184600000000, -0.0034563000000000, -0.0040667800000000 ] - [ 0.0018484000000000, 0.0014137000000000, 0.0014566100000000 ] - [ -0.0028401300000000, -0.0137467100000000, -0.0100235900000000 ] - [ -0.0024654400000000, 0.0006490000000000, 0.0000279800000000 ] - [ -0.0035661800000000, -0.0032194400000000, 0.0010628600000000 ] - [ -0.0016450500000000, 0.0019991300000000, 0.0002474200000000 ] - [ -0.0017319400000000, 0.0002816600000000, 0.0003754700000000 ] - [ 0.0000054800000000, -0.0002069400000000, 0.0006298400000000 ] - [ -0.0014051200000000, 0.0042352300000000, 0.0159798400000000 ] - [ -0.0035754700000000, -0.0000868600000000, -0.0015142400000000 ] - [ -0.0030546100000000, 0.0096390400000000, 0.0033975500000000 ] - [ -0.0046970600000000, -0.0005476200000000, -0.0008873500000000 ] - [ 0.0096307700000000, 0.0012248700000000, -0.0020389700000000 ] - [ -0.0017749200000000, 0.0002245400000000, -0.0000061900000000 ] - [ 0.0029434200000000, 0.0000876100000000, -0.0000713100000000 ] - [ -0.0008916200000000, -0.0001713900000000, -0.0000193200000000 ] - [ -0.0035108800000000, -0.0002080800000000, -0.0192526400000000 ] - [ -0.0045832200000000, 0.0002952600000000, 0.0007842300000000 ] - [ -0.0000222300000000, 0.0010623300000000, -0.0000423000000000 ] - [ -0.0001298400000000, -0.0009316700000000, 0.0003405400000000 ] - [ 0.0015647600000000, 0.0049835400000000, -0.0067019900000000 ] - [ -0.0028005300000000, -0.0001747000000000, 0.0004507500000000 ] - [ 0.0011809200000000, -0.0074919000000000, 0.0029534300000000 ] - [ -0.0026979300000000, 0.0006084100000000, -0.0002264500000000 ] - [ -0.0002516100000000, -0.0013930400000000, -0.0005771600000000 ] - [ -0.0000187100000000, 0.0007786200000000, 0.0003556400000000 ] - [ 0.0884063900000000, 0.0095999600000000, 0.0177243500000000 ] - [ -0.0026158800000000, 0.0003086500000000, 0.0001542600000000 ] - [ 0.0009650600000000, 0.0007797400000000, 0.0001795300000000 ] - [ -0.0019303300000000, 0.0002270400000000, -0.0005620700000000 ] - [ 0.0014364900000000, -0.0055070800000000, -0.0011782000000000 ] - [ -0.0021679000000000, 0.0000284200000000, -0.0000452800000000 ] - [ 0.0055759600000000, -0.0004176100000000, 0.0003731500000000 ] - [ -0.0017282300000000, -0.0003408700000000, 0.0000848600000000 ] - [ -0.0155361900000000, 0.0030237300000000, 0.0013818300000000 ] - [ -0.0131857000000000, -0.0009391500000000, -0.0009272300000000 ] - [ 0.0012207100000000, -0.0001516600000000, -0.0004625100000000 ] - [ -0.0013309600000000, 0.0002143900000000, 0.0006374800000000 ] - [ 0.0012934700000000, 0.0021437700000000, 0.0009626100000000 ] - [ -0.0017495600000000, -0.0006959600000000, 0.0000932300000000 ] - [ -0.0011580000000000, 0.0004787500000000, -0.0006483900000000 ] - [ -0.0015063800000000, -0.0007425300000000, -0.0003535300000000 ] - [ 0.0066109900000000, -0.0006963400000000, -0.0000616900000000 ] - [ -0.0035642400000000, 0.0001637300000000, -0.0010802000000000 ] - [ 0.0034323600000000, 0.0068041900000000, -0.0017118700000000 ] - [ -0.0033146100000000, -0.0011434900000000, 0.0014265200000000 ] - [ 0.0027220000000000, -0.0067507500000000, 0.0100278100000000 ] - [ -0.0033568700000000, 0.0007067300000000, -0.0003975200000000 ] - [ 0.0062794300000000, 0.0006651600000000, 0.0008637200000000 ] - [ -0.0036628700000000, -0.0003022800000000, -0.0009843100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002669300000000, 0.0009215800000000, -0.0006489400000000 ] - [ 0.0004373000000000, 0.0004503700000000, -0.0004202500000000 ] - [ -0.0021086200000000, -0.0059021300000000, 0.0009180500000000 ] - [ 0.0000895200000000, -0.0008188500000000, 0.0005230600000000 ] - [ 0.0004281800000000, 0.0000148000000000, 0.0010608900000000 ] - [ -0.0004336700000000, 0.0002034200000000, 0.0005255800000000 ] - [ 0.0039736300000000, 0.0005307400000000, -0.0001918500000000 ] - [ -0.0010837400000000, 0.0002030200000000, -0.0003033700000000 ] - [ 0.0007535300000000, 0.0190733100000000, -0.0039980800000000 ] - [ 0.0002328200000000, 0.0003232400000000, 0.0002347600000000 ] - [ -0.0009768300000000, -0.0006769300000000, 0.0013745100000000 ] - [ -0.0001967600000000, 0.0003202600000000, -0.0002141600000000 ] - [ 0.0015100200000000, -0.0073790600000000, -0.0002175500000000 ] - [ -0.0003693500000000, -0.0007978400000000, -0.0003115100000000 ] - [ 0.0003969200000000, 0.0018414400000000, 0.0015361900000000 ] - [ 0.0002665400000000, -0.0000803200000000, 0.0002927800000000 ] - [ -0.0005230100000000, 0.0003764000000000, -0.0016156800000000 ] - [ 0.0001350800000000, 0.0004687700000000, 0.0003938300000000 ] - [ -0.0009410800000000, -0.0010017300000000, -0.0005102500000000 ] - [ 0.0016927900000000, -0.0006427600000000, -0.0008679800000000 ] - [ 0.0000471100000000, -0.0009060700000000, -0.0004022000000000 ] - [ 0.0001509400000000, -0.0007491900000000, -0.0003560400000000 ] - [ 0.0000237900000000, 0.0069245100000000, 0.0007879200000000 ] - [ -0.0002969800000000, 0.0003086900000000, 0.0006467500000000 ] - [ -0.0014978400000000, -0.0034734100000000, -0.0011999000000000 ] - [ 0.0002244300000000, -0.0006806200000000, 0.0006703300000000 ] - [ -0.0027717200000000, -0.0003470900000000, -0.0001416300000000 ] - [ 0.0012517900000000, 0.0007434100000000, -0.0002911400000000 ] - [ 0.0002705600000000, -0.0020586700000000, 0.0012291800000000 ] - [ 0.0003852000000000, -0.0008784000000000, 0.0007197100000000 ] - [ 0.0006818400000000, -0.0002258200000000, -0.0000163300000000 ] - [ -0.0001252500000000, 0.0000073900000000, -0.0004455200000000 ] - [ -0.0003676200000000, 0.0021598400000000, -0.0005098100000000 ] - [ -0.0000229200000000, 0.0010482700000000, -0.0007285500000000 ] - [ -0.0007356900000000, -0.0005287100000000, 0.0001431100000000 ] - [ 0.0003750900000000, -0.0000788600000000, 0.0001939700000000 ] - [ -0.0003018700000000, -0.0019611500000000, 0.0007900800000000 ] - [ 0.0010635200000000, -0.0020918900000000, 0.0010873600000000 ] - [ 0.0042014000000000, 0.0075187000000000, 0.0023361100000000 ] - [ 0.0001604100000000, -0.0000080000000000, -0.0005971300000000 ] - [ 0.0000273400000000, -0.0081378900000000, 0.0020390600000000 ] - [ 0.0005154300000000, -0.0010947300000000, -0.0001244000000000 ] - [ -0.0002819800000000, 0.0073781300000000, -0.0015598500000000 ] - [ -0.0009419500000000, -0.0001329600000000, -0.0000642500000000 ] - [ 0.0010318400000000, 0.0047817500000000, 0.0007077300000000 ] - [ -0.0006508300000000, 0.0010113900000000, 0.0001239700000000 ] - [ 0.0007726400000000, -0.0013976900000000, -0.0007726300000000 ] - [ 0.0006358200000000, 0.0004801700000000, -0.0000731700000000 ] - [ -0.0010612000000000, 0.0004823000000000, -0.0008104500000000 ] - [ 0.0002373900000000, 0.0003249200000000, 0.0007773800000000 ] - [ -0.0006755600000000, -0.0014204900000000, -0.0001823800000000 ] - [ -0.0000984400000000, -0.0005898500000000, -0.0003760900000000 ] - [ 0.0056616400000000, -0.0022559600000000, 0.0022261900000000 ] - [ -0.0011436200000000, -0.0001507800000000, -0.0003607800000000 ] - [ 0.0016666800000000, 0.0002871800000000, 0.0002324600000000 ] - [ -0.0019010600000000, -0.0003999100000000, 0.0001452000000000 ] - [ -0.0007351500000000, -0.0032441000000000, 0.0034973200000000 ] - [ 0.0002455800000000, -0.0007948000000000, 0.0000406200000000 ] - [ -0.0007028500000000, -0.0001963100000000, -0.0016122100000000 ] - [ -0.0002585600000000, -0.0004142800000000, 0.0001956400000000 ] - [ 0.0017872900000000, -0.0014685700000000, -0.0026241200000000 ] - [ -0.0006294700000000, 0.0002630000000000, 0.0001489400000000 ] - [ -0.0020597100000000, 0.0076835400000000, 0.0035962900000000 ] - [ 0.0002378100000000, 0.0008052500000000, -0.0000777400000000 ] - [ 0.0017636900000000, -0.0130278600000000, -0.0020850700000000 ] - [ 0.0002742200000000, 0.0006752200000000, 0.0005899100000000 ] - [ 0.0000398200000000, 0.0008090100000000, -0.0017630200000000 ] - [ -0.0007470000000000, 0.0007156300000000, -0.0008792100000000 ] - [ 0.0019495500000000, 0.0063808900000000, 0.0004542100000000 ] - [ -0.0005474800000000, -0.0003057600000000, -0.0004699500000000 ] - [ 0.0013386000000000, 0.0017711500000000, -0.0002941200000000 ] - [ -0.0002398300000000, 0.0005745900000000, 0.0007206800000000 ] - [ 0.0058181000000000, 0.0035039300000000, 0.0053994600000000 ] - [ -0.0006155300000000, -0.0004952600000000, -0.0004412300000000 ] - [ 0.0014630800000000, 0.0022897800000000, 0.0003459800000000 ] - [ -0.0060962500000000, 0.0008243200000000, 0.0007228200000000 ] - [ -0.0009028000000000, 0.0018329900000000, 0.0004609100000000 ] - [ -0.0001264900000000, 0.0012449800000000, 0.0005855900000000 ] - [ -0.0010822500000000, -0.0033366300000000, -0.0002741700000000 ] - [ 0.0015043400000000, -0.0005552200000000, -0.0007734700000000 ] - [ -0.0048220300000000, 0.0005496000000000, 0.0038633500000000 ] - [ 0.0007122500000000, -0.0001617400000000, 0.0002354500000000 ] - [ -0.0044122000000000, 0.0255600900000000, -0.0155070500000000 ] - [ 0.0013484400000000, 0.0001726600000000, 0.0001649600000000 ] - [ 0.0013569900000000, 0.0038751600000000, -0.0006236300000000 ] - [ 0.0007912900000000, 0.0003621600000000, -0.0000285700000000 ] - [ 0.0001548200000000, -0.0052029700000000, 0.0061014900000000 ] - [ -0.0008937700000000, -0.0004461900000000, -0.0002095100000000 ] - [ -0.0010141400000000, 0.0021907300000000, 0.0004924500000000 ] - [ 0.0013479600000000, 0.0017248300000000, 0.0000537500000000 ] - [ -0.0037907200000000, -0.0043819900000000, -0.0021853900000000 ] - [ -0.0000715400000000, -0.0003009600000000, -0.0001618800000000 ] - [ 0.0059230800000000, 0.0027373900000000, -0.0050809400000000 ] - [ -0.0013039700000000, -0.0002058700000000, -0.0003739500000000 ] - [ 0.0013651700000000, -0.0000333400000000, 0.0000681600000000 ] - [ -0.0001788500000000, -0.0002893300000000, -0.0000729900000000 ] - [ -0.0086410600000000, -0.0670929000000000, 0.0119889300000000 ] - [ 0.0006378600000000, 0.0000945800000000, 0.0002559300000000 ] - [ -0.0001718600000000, 0.0028045200000000, -0.0001804500000000 ] - [ -0.0007205400000000, 0.0008668300000000, -0.0003511400000000 ] - [ 0.0045290900000000, 0.0051857400000000, 0.0033721900000000 ] - [ -0.0009766700000000, -0.0003615000000000, -0.0000252900000000 ] - [ 0.0005332900000000, -0.0015132500000000, 0.0000321600000000 ] - [ 0.0006056500000000, -0.0005330900000000, 0.0002751200000000 ] - [ -0.0004830400000000, -0.0041050700000000, -0.0009501700000000 ] - [ 0.0014674500000000, -0.0022676100000000, -0.0011687100000000 ] - [ -0.0002900400000000, 0.0028972400000000, -0.0002997000000000 ] - [ 0.0001411000000000, 0.0006448000000000, 0.0002847500000000 ] - [ -0.0040667600000000, 0.0038995600000000, 0.0033655800000000 ] - [ 0.0004635100000000, 0.0001540800000000, 0.0005234900000000 ] - [ -0.0005940400000000, -0.0009518600000000, -0.0003709000000000 ] - [ 0.0005153800000000, -0.0005865300000000, -0.0001131100000000 ] - [ -0.0009275000000000, 0.0003071200000000, -0.0006077100000000 ] - [ -0.0001710300000000, -0.0001247700000000, -0.0008117300000000 ] - [ -0.0094423700000000, 0.0052909100000000, -0.0097550600000000 ] - [ 0.0009323400000000, 0.0002529200000000, 0.0003584700000000 ] - [ 0.0075702300000000, -0.0076571400000000, -0.0058204200000000 ] - [ 0.0000130400000000, -0.0007227300000000, 0.0004667400000000 ] - [ 0.0011703200000000, 0.0200156500000000, 0.0045891700000000 ] - [ -0.0003463700000000, 0.0005005800000000, -0.0006621700000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001376800000000, -0.0014150300000000, -0.0003553400000000 ] - [ -0.0000241200000000, -0.0009436400000000, -0.0005884800000000 ] - [ 0.0016855300000000, 0.0054077800000000, 0.0000967600000000 ] - [ -0.0004935300000000, 0.0003288100000000, 0.0004858200000000 ] - [ -0.0008376800000000, 0.0004640600000000, -0.0000544800000000 ] - [ 0.0000253400000000, 0.0002838100000000, 0.0004826100000000 ] - [ -0.0035356700000000, -0.0000321100000000, -0.0008146400000000 ] - [ 0.0014905400000000, 0.0003026800000000, -0.0007081600000000 ] - [ -0.0002357500000000, -0.0170158900000000, 0.0040354000000000 ] - [ 0.0004030300000000, 0.0002879500000000, 0.0003514900000000 ] - [ 0.0003416900000000, 0.0012783800000000, -0.0019602900000000 ] - [ -0.0004361300000000, 0.0002860600000000, -0.0003727500000000 ] - [ -0.0021417000000000, 0.0067714200000000, -0.0003593500000000 ] - [ -0.0002635900000000, 0.0001902000000000, -0.0002736500000000 ] - [ 0.0002361800000000, -0.0024567500000000, -0.0009474600000000 ] - [ 0.0003690200000000, -0.0005289700000000, 0.0002940900000000 ] - [ 0.0002844900000000, 0.0001562800000000, 0.0026635400000000 ] - [ -0.0003717200000000, 0.0000455000000000, 0.0006371700000000 ] - [ 0.0011856700000000, 0.0015110200000000, -0.0005197900000000 ] - [ -0.0014687900000000, 0.0011520500000000, -0.0001618800000000 ] - [ 0.0001918700000000, 0.0003922800000000, -0.0006272600000000 ] - [ 0.0000821200000000, 0.0002362500000000, -0.0006735500000000 ] - [ -0.0002973900000000, -0.0074337400000000, 0.0002577700000000 ] - [ 0.0000577400000000, -0.0008200700000000, 0.0003816100000000 ] - [ 0.0014259600000000, 0.0025142900000000, 0.0025953900000000 ] - [ -0.0002690800000000, -0.0002962800000000, 0.0007453000000000 ] - [ 0.0028207700000000, -0.0006448200000000, -0.0012799900000000 ] - [ -0.0012112000000000, -0.0017366400000000, -0.0011266500000000 ] - [ 0.0004914400000000, 0.0006515000000000, 0.0000873100000000 ] - [ 0.0003788300000000, -0.0005295100000000, 0.0005952100000000 ] - [ -0.0006330800000000, 0.0012057500000000, -0.0013943100000000 ] - [ 0.0001674400000000, 0.0009758600000000, -0.0009725200000000 ] - [ 0.0005259100000000, -0.0010265500000000, -0.0008816500000000 ] - [ 0.0001848300000000, 0.0000694200000000, -0.0006405800000000 ] - [ 0.0005799300000000, 0.0016417400000000, 0.0012327400000000 ] - [ -0.0005429700000000, 0.0011914900000000, 0.0011798000000000 ] - [ 0.0001452700000000, 0.0008412400000000, 0.0005777800000000 ] - [ -0.0012355800000000, 0.0009798900000000, 0.0002800800000000 ] - [ -0.0039693500000000, -0.0086418100000000, -0.0036458300000000 ] - [ 0.0000004700000000, -0.0011054500000000, -0.0007719700000000 ] - [ 0.0011528400000000, 0.0067312200000000, -0.0021676600000000 ] - [ 0.0006647300000000, -0.0003146100000000, 0.0000201300000000 ] - [ -0.0009420800000000, -0.0087583300000000, 0.0017144500000000 ] - [ -0.0002340900000000, -0.0012756100000000, 0.0001716200000000 ] - [ -0.0022092000000000, -0.0033440000000000, -0.0006032000000000 ] - [ -0.0005262600000000, 0.0004005000000000, -0.0000197000000000 ] - [ 0.0004060100000000, 0.0028004200000000, 0.0006790000000000 ] - [ 0.0005452000000000, 0.0009263800000000, -0.0000301700000000 ] - [ 0.0013709500000000, -0.0008294300000000, 0.0017068300000000 ] - [ 0.0001015000000000, -0.0006801100000000, 0.0001118600000000 ] - [ 0.0003495100000000, 0.0010721900000000, -0.0007214500000000 ] - [ -0.0002160300000000, 0.0002417800000000, -0.0005322000000000 ] - [ -0.0060173300000000, 0.0026116200000000, -0.0031664000000000 ] - [ 0.0008284700000000, 0.0004972100000000, -0.0005482900000000 ] - [ -0.0013516500000000, 0.0000788400000000, 0.0006718000000000 ] - [ 0.0022336400000000, 0.0007712700000000, 0.0007658700000000 ] - [ 0.0012332500000000, 0.0019675800000000, -0.0036747400000000 ] - [ 0.0002575600000000, -0.0004744400000000, -0.0002309500000000 ] - [ 0.0002067900000000, -0.0010889700000000, 0.0017933400000000 ] - [ -0.0002384400000000, -0.0008612400000000, -0.0000072500000000 ] - [ -0.0022648100000000, 0.0027423200000000, 0.0027837900000000 ] - [ 0.0001304300000000, 0.0010130600000000, 0.0000392200000000 ] - [ 0.0025418400000000, -0.0067728600000000, -0.0035123100000000 ] - [ 0.0002647200000000, 0.0004634700000000, -0.0001135700000000 ] - [ -0.0010094700000000, 0.0143530700000000, 0.0034252200000000 ] - [ 0.0004905800000000, 0.0007308200000000, 0.0007273600000000 ] - [ -0.0008028600000000, 0.0006183300000000, 0.0004526400000000 ] - [ -0.0000133600000000, 0.0006943900000000, -0.0004363400000000 ] - [ -0.0027043900000000, -0.0077698300000000, -0.0017631300000000 ] - [ -0.0002065000000000, -0.0011059700000000, -0.0008466000000000 ] - [ -0.0013934200000000, -0.0008211600000000, 0.0017018700000000 ] - [ 0.0001946700000000, 0.0004021700000000, 0.0006963400000000 ] - [ -0.0046921800000000, -0.0037982200000000, -0.0066911700000000 ] - [ 0.0017142000000000, 0.0002952300000000, -0.0008546100000000 ] - [ -0.0025674700000000, -0.0024793300000000, 0.0009537000000000 ] - [ 0.0050355600000000, -0.0010126500000000, 0.0005729100000000 ] - [ -0.0001998900000000, -0.0016345400000000, 0.0008318600000000 ] - [ -0.0009630900000000, -0.0010507800000000, 0.0007071700000000 ] - [ 0.0021641400000000, 0.0035651800000000, -0.0009297200000000 ] - [ -0.0004005000000000, 0.0007505500000000, -0.0005227700000000 ] - [ 0.0031504700000000, -0.0006382600000000, -0.0039867800000000 ] - [ -0.0023708900000000, 0.0001455000000000, -0.0003902600000000 ] - [ 0.0060971900000000, -0.0258729300000000, 0.0159212800000000 ] - [ 0.0002988000000000, -0.0001814500000000, -0.0000112000000000 ] - [ 0.0002974100000000, -0.0038596800000000, 0.0007714200000000 ] - [ 0.0008547900000000, -0.0003504700000000, 0.0001822900000000 ] - [ -0.0017792900000000, 0.0052153900000000, -0.0061908500000000 ] - [ -0.0007722700000000, 0.0004577400000000, 0.0000565600000000 ] - [ 0.0019014900000000, -0.0018402900000000, -0.0005812100000000 ] - [ -0.0004300500000000, -0.0013869000000000, -0.0001452100000000 ] - [ 0.0028804600000000, 0.0047674100000000, 0.0022527100000000 ] - [ -0.0008312300000000, 0.0006494400000000, 0.0002563200000000 ] - [ -0.0067678900000000, -0.0030907100000000, 0.0051219300000000 ] - [ 0.0003931600000000, -0.0001430000000000, 0.0004644100000000 ] - [ -0.0004618500000000, -0.0003068900000000, -0.0001627300000000 ] - [ 0.0010822700000000, -0.0000488300000000, -0.0000189800000000 ] - [ 0.0098002500000000, 0.0670473900000000, -0.0115214800000000 ] - [ 0.0004021800000000, 0.0007592800000000, 0.0002186200000000 ] - [ -0.0008771600000000, -0.0019457600000000, -0.0002840100000000 ] - [ -0.0003204600000000, -0.0000142000000000, -0.0001227100000000 ] - [ -0.0056154500000000, -0.0060504000000000, -0.0038842600000000 ] - [ -0.0000636000000000, -0.0004882200000000, -0.0004517400000000 ] - [ 0.0005165900000000, 0.0006483400000000, 0.0004382400000000 ] - [ 0.0004353600000000, -0.0003226300000000, 0.0001995800000000 ] - [ 0.0005095100000000, 0.0045669300000000, 0.0002283700000000 ] - [ -0.0015381000000000, 0.0027425900000000, 0.0004398800000000 ] - [ 0.0003151100000000, -0.0024125200000000, 0.0010368800000000 ] - [ -0.0001249400000000, -0.0001619600000000, 0.0004393400000000 ] - [ 0.0041165000000000, -0.0043881500000000, -0.0026703800000000 ] - [ -0.0004476100000000, -0.0006343400000000, 0.0001989200000000 ] - [ 0.0005750800000000, 0.0004642400000000, -0.0003556100000000 ] - [ -0.0005393500000000, 0.0000989100000000, -0.0006100200000000 ] - [ 0.0003496300000000, -0.0003725500000000, -0.0008798200000000 ] - [ -0.0004120200000000, 0.0000456600000000, -0.0006735900000000 ] - [ 0.0099535800000000, -0.0053382300000000, 0.0111416400000000 ] - [ -0.0003541300000000, -0.0003423900000000, 0.0011269000000000 ] - [ -0.0069859400000000, 0.0077861300000000, 0.0072945700000000 ] - [ 0.0005637300000000, 0.0008115000000000, 0.0010200600000000 ] - [ -0.0017415700000000, -0.0197886200000000, -0.0060523600000000 ] - [ -0.0002376700000000, -0.0004210500000000, -0.0008207500000000 ]- atom: 97 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0018806300000000, 0.0002239600000000, -0.0028964700000000 ] - [ -0.0011121200000000, -0.0000648200000000, -0.0018182800000000 ] - [ 0.0008779900000000, 0.0009290700000000, 0.0020177000000000 ] - [ -0.0004028400000000, -0.0001184900000000, 0.0008841600000000 ] - [ -0.0004848100000000, 0.0010534300000000, -0.0022387700000000 ] - [ -0.0000967700000000, 0.0003481400000000, 0.0000758500000000 ] - [ -0.0017444300000000, 0.0013660200000000, 0.0007870600000000 ] - [ 0.0015556600000000, 0.0011032200000000, 0.0005477400000000 ] - [ 0.0009184600000000, -0.0014888700000000, 0.0098692600000000 ] - [ 0.0004190500000000, 0.0004383700000000, 0.0007099500000000 ] - [ 0.0001202200000000, 0.0013910300000000, -0.0031481800000000 ] - [ -0.0004857000000000, 0.0004394600000000, -0.0006947900000000 ] - [ -0.0013202600000000, 0.0014563200000000, 0.0005387700000000 ] - [ -0.0001707300000000, -0.0000925200000000, 0.0000419100000000 ] - [ -0.0001476800000000, 0.0005300300000000, -0.0051354100000000 ] - [ 0.0001691200000000, -0.0002356700000000, -0.0001404400000000 ] - [ -0.0010785400000000, -0.0013615500000000, -0.0039338300000000 ] - [ 0.0002544100000000, 0.0002741800000000, -0.0000306700000000 ] - [ -0.0003442300000000, 0.0002481600000000, 0.0011878700000000 ] - [ 0.0001828000000000, 0.0001820600000000, 0.0010068400000000 ] - [ 0.0003345400000000, -0.0001655300000000, -0.0014232400000000 ] - [ -0.0000479700000000, -0.0002376400000000, -0.0013609300000000 ] - [ -0.0032529100000000, -0.0004940500000000, 0.0097568000000000 ] - [ -0.0008130700000000, -0.0001439200000000, 0.0010130400000000 ] - [ 0.0004434100000000, -0.0044403100000000, 0.0016064000000000 ] - [ 0.0005635000000000, -0.0007957900000000, 0.0010166800000000 ] - [ 0.0034608100000000, 0.0016388700000000, 0.0010868200000000 ] - [ -0.0010528700000000, -0.0002066100000000, -0.0003606300000000 ] - [ 0.0004455900000000, -0.0006871400000000, -0.0009559700000000 ] - [ 0.0003161700000000, -0.0006948000000000, 0.0002846900000000 ] - [ -0.0007168000000000, 0.0012684500000000, -0.0016178100000000 ] - [ 0.0002545700000000, 0.0006902400000000, -0.0011156300000000 ] - [ 0.0010055400000000, 0.0021546400000000, -0.0053096800000000 ] - [ -0.0004449000000000, 0.0009232200000000, -0.0011941400000000 ] - [ -0.0006385000000000, 0.0003425100000000, 0.0000601800000000 ] - [ 0.0002753500000000, 0.0003570900000000, 0.0003426800000000 ] - [ 0.0004485200000000, -0.0000460600000000, 0.0011623700000000 ] - [ -0.0008971700000000, -0.0001458700000000, 0.0009048200000000 ] - [ 0.0077277000000000, 0.0019723600000000, 0.0121977600000000 ] - [ 0.0003866700000000, -0.0003528500000000, -0.0000631000000000 ] - [ 0.0003206400000000, 0.0022478900000000, 0.0024419900000000 ] - [ 0.0006239100000000, -0.0006637600000000, 0.0001699500000000 ] - [ 0.0032830700000000, -0.0024191200000000, 0.0006632600000000 ] - [ -0.0010529100000000, -0.0004719800000000, 0.0003683200000000 ] - [ -0.0026889900000000, 0.0029457000000000, -0.0041286000000000 ] - [ -0.0001203700000000, 0.0010555700000000, -0.0001911000000000 ] - [ 0.0006911000000000, 0.0002403200000000, -0.0011850600000000 ] - [ 0.0005650300000000, 0.0006671900000000, -0.0002610200000000 ] - [ -0.0030269700000000, -0.0005023000000000, -0.0018286900000000 ] - [ 0.0036090100000000, -0.0006398900000000, -0.0017189500000000 ] - [ 0.0003334600000000, 0.0002756300000000, -0.0012413500000000 ] - [ -0.0005543100000000, -0.0000836100000000, -0.0007283100000000 ] - [ -0.0034280100000000, 0.0029670800000000, 0.0011530500000000 ] - [ 0.0007537500000000, 0.0005877400000000, -0.0000773900000000 ] - [ 0.0036848900000000, -0.0018609000000000, 0.0009376500000000 ] - [ -0.0041016800000000, -0.0019711300000000, -0.0000862000000000 ] - [ 0.0006606000000000, 0.0007086400000000, -0.0017186800000000 ] - [ 0.0002358000000000, -0.0005106900000000, -0.0002664800000000 ] - [ -0.0001608600000000, -0.0030429600000000, -0.0045698100000000 ] - [ 0.0003380900000000, -0.0010707200000000, -0.0003530300000000 ] - [ -0.0005858700000000, -0.0022204300000000, 0.0023534600000000 ] - [ -0.0009572600000000, 0.0002423400000000, 0.0006164300000000 ] - [ 0.0002555700000000, 0.0009905300000000, 0.0078387200000000 ] - [ 0.0001728600000000, 0.0006914300000000, 0.0000774500000000 ] - [ 0.0003273700000000, -0.0004093400000000, 0.0092103700000000 ] - [ 0.0004268600000000, 0.0006710000000000, 0.0011285100000000 ] - [ 0.0003293300000000, -0.0012506400000000, -0.0038896500000000 ] - [ -0.0008752200000000, 0.0007491600000000, -0.0013870700000000 ] - [ 0.0042392100000000, 0.0011709700000000, 0.0080485700000000 ] - [ 0.0002243100000000, -0.0006268000000000, 0.0000616900000000 ] - [ 0.0001048500000000, -0.0025501500000000, -0.0040580000000000 ] - [ -0.0006474300000000, 0.0000748300000000, 0.0003422600000000 ] - [ 0.0067922400000000, 0.0109575000000000, 0.0069676200000000 ] - [ -0.0014788200000000, -0.0004789600000000, -0.0004660300000000 ] - [ -0.0019431100000000, -0.0024275900000000, -0.0016948500000000 ] - [ 0.0018962500000000, -0.0010217400000000, -0.0014888000000000 ] - [ -0.0000548700000000, -0.0003365700000000, 0.0019304100000000 ] - [ -0.0009993000000000, -0.0001420400000000, 0.0018084400000000 ] - [ -0.0070916300000000, 0.0020263100000000, 0.0132668600000000 ] - [ 0.0029662100000000, -0.0001572500000000, -0.0005391100000000 ] - [ -0.0060068000000000, 0.0110565200000000, 0.0034297500000000 ] - [ 0.0016192700000000, -0.0001143500000000, 0.0003401500000000 ] - [ 0.0052601200000000, -0.0155707700000000, -0.0105885800000000 ] - [ 0.0005129600000000, -0.0001070000000000, -0.0005769800000000 ] - [ 0.0003345700000000, -0.0007421700000000, 0.0024266100000000 ] - [ 0.0010018400000000, -0.0000942400000000, 0.0006003600000000 ] - [ 0.0084642500000000, 0.0024851900000000, 0.0139730400000000 ] - [ -0.0033987700000000, 0.0000516500000000, -0.0002198200000000 ] - [ 0.0005442500000000, 0.0000721700000000, -0.0018517400000000 ] - [ 0.0005703300000000, 0.0004157400000000, -0.0015937100000000 ] - [ 0.0053932500000000, -0.0036058900000000, 0.0093403300000000 ] - [ -0.0013711600000000, 0.0000851400000000, 0.0002457500000000 ] - [ -0.0039514600000000, -0.0062461100000000, 0.0013076500000000 ] - [ 0.0002666200000000, -0.0004974100000000, 0.0000832500000000 ] - [ 0.0006249800000000, -0.0000855800000000, 0.0019701400000000 ] - [ 0.0001858600000000, 0.0001666800000000, 0.0015277500000000 ] - [ -0.0150517000000000, 0.0124312900000000, -0.0753801500000000 ] - [ 0.0005414400000000, 0.0004437200000000, -0.0005269800000000 ] - [ -0.0009107900000000, 0.0003824700000000, 0.0005739200000000 ] - [ -0.0002269700000000, 0.0005376100000000, 0.0001002700000000 ] - [ 0.0004638700000000, 0.0030942300000000, -0.0005282600000000 ] - [ -0.0007501600000000, -0.0002048000000000, -0.0005039200000000 ] - [ 0.0004913200000000, -0.0002160800000000, 0.0051033700000000 ] - [ 0.0006281800000000, -0.0004632600000000, 0.0009116000000000 ] - [ -0.0000988300000000, -0.0003753700000000, -0.0070677500000000 ] - [ 0.0004029000000000, -0.0006899400000000, -0.0072237000000000 ] - [ 0.0004254300000000, 0.0002176800000000, 0.0015471600000000 ] - [ -0.0002172500000000, 0.0002848100000000, 0.0006906000000000 ] - [ -0.0008540400000000, 0.0018685400000000, -0.0000405300000000 ] - [ 0.0003787000000000, -0.0000271900000000, 0.0001162100000000 ] - [ 0.0002376200000000, -0.0002698200000000, 0.0024584000000000 ] - [ -0.0001655600000000, -0.0006057500000000, 0.0021382100000000 ] - [ 0.0001994200000000, 0.0002361400000000, 0.0071066300000000 ] - [ -0.0002363800000000, 0.0000974100000000, 0.0003754400000000 ] - [ 0.0045319600000000, -0.0072119000000000, 0.0032878200000000 ] - [ -0.0004250200000000, -0.0005144600000000, 0.0007732100000000 ] - [ -0.0092178400000000, -0.0060501200000000, 0.0147068600000000 ] - [ 0.0013620300000000, -0.0002165300000000, 0.0011524200000000 ] - [ -0.0012186200000000, -0.0020593500000000, -0.0094924700000000 ] - [ -0.0001949300000000, 0.0000715300000000, -0.0018605100000000 ]- atom: 97 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0014653300000000, -0.0007124000000000, 0.0018866800000000 ] - [ 0.0015089500000000, -0.0004241100000000, 0.0008082900000000 ] - [ -0.0012670200000000, -0.0014110800000000, -0.0010086900000000 ] - [ -0.0000065700000000, -0.0003707900000000, 0.0001250900000000 ] - [ 0.0000734700000000, -0.0005521300000000, 0.0032474700000000 ] - [ -0.0003074000000000, 0.0001418200000000, 0.0009312000000000 ] - [ 0.0021362700000000, -0.0008722300000000, -0.0018005000000000 ] - [ -0.0011444800000000, -0.0006116400000000, -0.0015559400000000 ] - [ -0.0002944600000000, 0.0022555700000000, -0.0093095200000000 ] - [ 0.0002167300000000, 0.0001670200000000, -0.0001236100000000 ] - [ -0.0007533200000000, -0.0007776900000000, 0.0025634200000000 ] - [ -0.0001517000000000, 0.0001696400000000, 0.0001080100000000 ] - [ 0.0006668200000000, -0.0020424900000000, -0.0011253600000000 ] - [ -0.0004632400000000, -0.0005146900000000, -0.0006271800000000 ] - [ 0.0007868100000000, -0.0011238900000000, 0.0056993000000000 ] - [ 0.0004644400000000, -0.0003708300000000, 0.0007242500000000 ] - [ 0.0008327700000000, 0.0018709400000000, 0.0049458500000000 ] - [ -0.0004850700000000, 0.0002434100000000, 0.0010433200000000 ] - [ 0.0005722200000000, 0.0002700000000000, -0.0021926800000000 ] - [ 0.0000541200000000, 0.0003362800000000, -0.0020164300000000 ] - [ -0.0000993300000000, -0.0003517500000000, 0.0004072000000000 ] - [ 0.0002799100000000, -0.0002789300000000, 0.0003480100000000 ] - [ 0.0034803900000000, -0.0000046800000000, -0.0090461500000000 ] - [ 0.0005754300000000, -0.0003739100000000, -0.0000035900000000 ] - [ -0.0004840300000000, 0.0034477500000000, -0.0001740500000000 ] - [ -0.0006056300000000, -0.0001810700000000, 0.0004052400000000 ] - [ -0.0034023300000000, -0.0026050200000000, -0.0024915800000000 ] - [ 0.0010971100000000, -0.0007671500000000, -0.0010547600000000 ] - [ 0.0003218700000000, -0.0007201400000000, 0.0022936700000000 ] - [ 0.0004507600000000, -0.0007132100000000, 0.0010549200000000 ] - [ 0.0007624600000000, -0.0002980900000000, 0.0001930000000000 ] - [ -0.0002109100000000, 0.0002842900000000, -0.0003077200000000 ] - [ -0.0008607900000000, -0.0010568500000000, 0.0039399500000000 ] - [ 0.0006116700000000, 0.0001788200000000, -0.0001702900000000 ] - [ 0.0004690500000000, 0.0007577300000000, 0.0012947300000000 ] - [ -0.0004423500000000, 0.0007451400000000, 0.0010151700000000 ] - [ -0.0006147400000000, -0.0010534200000000, 0.0002032700000000 ] - [ 0.0007286700000000, -0.0009540400000000, 0.0004588400000000 ] - [ -0.0070917600000000, -0.0029086700000000, -0.0132349000000000 ] - [ -0.0002195200000000, -0.0007470500000000, -0.0012947400000000 ] - [ 0.0008577800000000, -0.0036506500000000, -0.0025308900000000 ] - [ 0.0005571300000000, -0.0007436300000000, -0.0002748400000000 ] - [ -0.0046370100000000, 0.0010773800000000, -0.0003016400000000 ] - [ -0.0001286700000000, -0.0009367300000000, -0.0002594600000000 ] - [ 0.0015481200000000, -0.0015541600000000, 0.0042369500000000 ] - [ -0.0010616000000000, 0.0003516500000000, 0.0002955400000000 ] - [ 0.0004911200000000, 0.0011747600000000, 0.0010726100000000 ] - [ 0.0006157300000000, 0.0007403700000000, 0.0001534700000000 ] - [ 0.0033438500000000, 0.0001523300000000, 0.0027066100000000 ] - [ -0.0032850800000000, 0.0002787800000000, 0.0026004800000000 ] - [ -0.0006549500000000, -0.0006290400000000, 0.0003341700000000 ] - [ 0.0002335400000000, -0.0002705800000000, -0.0001766700000000 ] - [ 0.0030960100000000, -0.0026000500000000, -0.0020372000000000 ] - [ -0.0010732100000000, -0.0002314700000000, -0.0008235200000000 ] - [ -0.0033506500000000, 0.0022072500000000, -0.0000318900000000 ] - [ 0.0044198100000000, 0.0023297300000000, 0.0009910800000000 ] - [ -0.0001490400000000, -0.0019781000000000, 0.0015045600000000 ] - [ 0.0002703900000000, -0.0007591200000000, 0.0000711000000000 ] - [ -0.0003210800000000, 0.0017761300000000, 0.0047522500000000 ] - [ -0.0008446200000000, -0.0002016500000000, 0.0005457200000000 ] - [ 0.0000732100000000, 0.0034739500000000, -0.0021400800000000 ] - [ 0.0004499100000000, 0.0010267600000000, -0.0004200700000000 ] - [ 0.0001914700000000, -0.0000714400000000, -0.0076048300000000 ] - [ 0.0003319500000000, 0.0005811500000000, -0.0002691500000000 ] - [ 0.0004410100000000, 0.0017516700000000, -0.0078719800000000 ] - [ 0.0003402300000000, 0.0007366800000000, 0.0002155100000000 ] - [ -0.0010886900000000, 0.0026536600000000, 0.0025504700000000 ] - [ 0.0001059900000000, 0.0006580100000000, 0.0000482800000000 ] - [ -0.0053667100000000, -0.0026904900000000, -0.0095914800000000 ] - [ -0.0009898900000000, -0.0007812800000000, -0.0014038300000000 ] - [ -0.0001739500000000, 0.0035380400000000, 0.0054880600000000 ] - [ 0.0006022700000000, 0.0009004900000000, 0.0010760300000000 ] - [ -0.0056397000000000, -0.0111076300000000, -0.0082475600000000 ] - [ 0.0025692700000000, 0.0002770600000000, -0.0008290700000000 ] - [ 0.0008467400000000, 0.0022192000000000, 0.0029746300000000 ] - [ -0.0029915500000000, 0.0008206100000000, 0.0027721600000000 ] - [ -0.0010419500000000, 0.0005379500000000, -0.0006324200000000 ] - [ -0.0000967500000000, 0.0003423700000000, -0.0005121700000000 ] - [ 0.0083068800000000, -0.0018130000000000, -0.0145568000000000 ] - [ -0.0018653600000000, 0.0003569900000000, -0.0007483200000000 ] - [ 0.0043218000000000, -0.0110192100000000, -0.0035665900000000 ] - [ -0.0032648300000000, 0.0001065200000000, -0.0004930200000000 ] - [ -0.0035976200000000, 0.0155458700000000, 0.0106190300000000 ] - [ 0.0011353800000000, 0.0000968900000000, 0.0007228700000000 ] - [ 0.0013138900000000, 0.0007440600000000, -0.0022704300000000 ] - [ 0.0006470400000000, 0.0001029000000000, -0.0004486400000000 ] - [ -0.0102478100000000, -0.0025201500000000, -0.0141038000000000 ] - [ 0.0017473700000000, -0.0000416700000000, 0.0000733100000000 ] - [ 0.0003637600000000, 0.0002696100000000, 0.0017507800000000 ] - [ 0.0003285700000000, -0.0000724200000000, 0.0014970700000000 ] - [ -0.0062153100000000, 0.0039134200000000, -0.0091725400000000 ] - [ 0.0004659600000000, 0.0002572900000000, -0.0001554100000000 ] - [ 0.0030572000000000, 0.0059303000000000, -0.0011935200000000 ] - [ -0.0011650300000000, 0.0001539000000000, 0.0000111600000000 ] - [ 0.0002696700000000, -0.0002602000000000, -0.0020581500000000 ] - [ 0.0007248700000000, -0.0005113100000000, -0.0016177600000000 ] - [ 0.0157209000000000, -0.0114433700000000, 0.0753162800000000 ] - [ 0.0005029100000000, 0.0004097300000000, 0.0010021400000000 ] - [ -0.0001326700000000, 0.0004700900000000, -0.0010547200000000 ] - [ -0.0008153400000000, 0.0003159200000000, -0.0005790900000000 ] - [ -0.0015031900000000, -0.0039470800000000, 0.0000726400000000 ] - [ -0.0002932900000000, -0.0006481300000000, 0.0000275100000000 ] - [ 0.0005520800000000, -0.0006211300000000, -0.0046212100000000 ] - [ 0.0004155800000000, -0.0003895700000000, -0.0004323400000000 ] - [ 0.0001301400000000, 0.0008527200000000, 0.0063127600000000 ] - [ -0.0004485500000000, 0.0011675100000000, 0.0064819900000000 ] - [ -0.0004063600000000, 0.0002646200000000, -0.0008247500000000 ] - [ 0.0002353500000000, 0.0001996300000000, 0.0000347000000000 ] - [ 0.0008641600000000, -0.0023587200000000, 0.0007878700000000 ] - [ -0.0003573700000000, -0.0004560500000000, 0.0006122000000000 ] - [ -0.0002669300000000, -0.0002129200000000, -0.0031840800000000 ] - [ 0.0001552500000000, 0.0001230200000000, -0.0028610500000000 ] - [ -0.0007861700000000, -0.0003481700000000, -0.0085971600000000 ] - [ -0.0003422300000000, -0.0001799700000000, -0.0018600000000000 ] - [ -0.0039406400000000, 0.0071658300000000, -0.0017355900000000 ] - [ 0.0010036000000000, 0.0004314000000000, 0.0007183100000000 ] - [ 0.0097038800000000, 0.0060750400000000, -0.0131399000000000 ] - [ -0.0007772700000000, 0.0002972200000000, 0.0003297700000000 ] - [ 0.0006334800000000, 0.0021109400000000, 0.0079451700000000 ] - [ -0.0003841000000000, 0.0000112500000000, 0.0003691900000000 ]- atom: 105 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ 0.0043484400000000, -0.0003703000000000, -0.0016499100000000 ] - [ -0.0015393500000000, -0.0002476100000000, -0.0003488500000000 ] - [ -0.0017876400000000, -0.0006100400000000, 0.0006516500000000 ] - [ 0.0012678600000000, 0.0006774400000000, 0.0001731200000000 ] - [ -0.0014175100000000, 0.0006107300000000, 0.0004516200000000 ] - [ 0.0008879400000000, -0.0007856000000000, 0.0007204100000000 ] - [ 0.0114462700000000, 0.0017816900000000, -0.0023799700000000 ] - [ -0.0019255100000000, 0.0002208800000000, -0.0003923700000000 ] - [ -0.0016589800000000, -0.0032947100000000, 0.0015419500000000 ] - [ -0.0023261100000000, 0.0029634400000000, -0.0009001400000000 ] - [ 0.0004351700000000, 0.0008986000000000, -0.0003081800000000 ] - [ -0.0012811600000000, 0.0000069400000000, -0.0001626400000000 ] - [ 0.0008612400000000, -0.0004147700000000, -0.0000166800000000 ] - [ -0.0015909500000000, 0.0002373200000000, -0.0005103200000000 ] - [ -0.0005827800000000, 0.0004782000000000, -0.0009237700000000 ] - [ -0.0007704600000000, -0.0007540200000000, 0.0005896400000000 ] - [ -0.0014528500000000, 0.0000747300000000, 0.0001123100000000 ] - [ 0.0020441400000000, 0.0023340700000000, 0.0053111200000000 ] - [ 0.0035964700000000, 0.0005667800000000, -0.0003244300000000 ] - [ -0.0013085400000000, 0.0001925400000000, -0.0004474500000000 ] - [ 0.0016011600000000, -0.0002420300000000, -0.0003442900000000 ] - [ -0.0009362800000000, -0.0001994500000000, -0.0005262300000000 ] - [ -0.0026321900000000, -0.0003472000000000, 0.0013483000000000 ] - [ 0.0165086500000000, 0.0011127100000000, 0.0046451600000000 ] - [ -0.0012381700000000, -0.0005700100000000, 0.0002259800000000 ] - [ 0.0004427300000000, 0.0037800700000000, 0.0015805700000000 ] - [ 0.0074107300000000, 0.0003391400000000, 0.0002629900000000 ] - [ -0.0015926700000000, -0.0010418900000000, -0.0010615100000000 ] - [ 0.0000110100000000, -0.0008804100000000, 0.0007494400000000 ] - [ 0.0002734900000000, -0.0004290600000000, 0.0007491400000000 ] - [ 0.0014571400000000, -0.0001911800000000, -0.0001843100000000 ] - [ -0.0010681800000000, 0.0008732600000000, -0.0010394400000000 ] - [ -0.0011249000000000, 0.0005337900000000, -0.0004687700000000 ] - [ 0.0014866000000000, 0.0020306400000000, -0.0054512500000000 ] - [ 0.0016480300000000, 0.0008566000000000, 0.0010143000000000 ] - [ -0.0012558800000000, 0.0004232200000000, 0.0005440100000000 ] - [ 0.0019280700000000, 0.0000168000000000, 0.0007210300000000 ] - [ -0.0013252600000000, -0.0003559200000000, 0.0005626600000000 ] - [ -0.0026588600000000, -0.0012447600000000, -0.0016200600000000 ] - [ 0.0082222800000000, 0.0013803700000000, 0.0019308700000000 ] - [ 0.0002865500000000, -0.0000348700000000, -0.0003191900000000 ] - [ 0.0001557200000000, -0.0012071800000000, 0.0002683100000000 ] - [ 0.0017213400000000, -0.0019290200000000, -0.0073677500000000 ] - [ -0.0028490800000000, -0.0003548300000000, 0.0008351200000000 ] - [ 0.0002706700000000, -0.0019821400000000, 0.0037910800000000 ] - [ -0.0018062800000000, 0.0006836800000000, -0.0003089900000000 ] - [ 0.0001799400000000, 0.0011277900000000, 0.0001254000000000 ] - [ 0.0004177700000000, 0.0003501200000000, -0.0000898400000000 ] - [ 0.0099015700000000, -0.0009757500000000, 0.0007319600000000 ] - [ -0.0024686500000000, -0.0001125100000000, 0.0003911600000000 ] - [ -0.0017315800000000, -0.0002514800000000, -0.0003198200000000 ] - [ 0.0015714400000000, 0.0002526400000000, -0.0007687700000000 ] - [ -0.0028114000000000, 0.0005294900000000, -0.0005985300000000 ] - [ 0.0029082800000000, -0.0019385700000000, 0.0002562100000000 ] - [ 0.0132324300000000, 0.0017115700000000, 0.0016218700000000 ] - [ -0.0026100800000000, 0.0000607100000000, 0.0003940800000000 ] - [ -0.0002157800000000, -0.0013537000000000, 0.0004956100000000 ] - [ 0.0000837100000000, -0.0001106600000000, -0.0004961800000000 ] - [ -0.0003459900000000, 0.0014813400000000, 0.0044452200000000 ] - [ -0.0014453100000000, -0.0006575500000000, 0.0000382700000000 ] - [ 0.0012098500000000, -0.0017875500000000, -0.0006811600000000 ] - [ -0.0017225600000000, 0.0006759900000000, 0.0005964200000000 ] - [ -0.0014769600000000, 0.0031692200000000, -0.0010004800000000 ] - [ -0.0012759100000000, -0.0007194700000000, 0.0010034300000000 ] - [ -0.0011909400000000, 0.0024018300000000, 0.0006043500000000 ] - [ -0.0005453900000000, -0.0010756500000000, 0.0006209400000000 ] - [ 0.0021090400000000, -0.0014316200000000, -0.0028333900000000 ] - [ -0.0015741100000000, 0.0008788900000000, -0.0004864400000000 ] - [ 0.0139046700000000, -0.0043543400000000, -0.0036806700000000 ] - [ -0.0028844900000000, -0.0009358500000000, -0.0016044800000000 ] - [ -0.0012929600000000, 0.0004082100000000, 0.0007167500000000 ] - [ -0.0003846300000000, -0.0025953200000000, -0.0032606600000000 ] - [ 0.0034911800000000, 0.0007950300000000, -0.0000795400000000 ] - [ -0.0048036000000000, -0.0158603300000000, -0.0136285600000000 ] - [ -0.0080112300000000, -0.0009792000000000, -0.0005409000000000 ] - [ 0.0020871900000000, 0.0001734300000000, 0.0005930400000000 ] - [ -0.0029778600000000, 0.0002214700000000, 0.0003482900000000 ] - [ 0.0012540500000000, -0.0000964500000000, 0.0006638900000000 ] - [ 0.0033212400000000, 0.0001110200000000, -0.0016977500000000 ] - [ -0.0056339800000000, 0.0042644400000000, 0.0165560400000000 ] - [ -0.0089772000000000, 0.0132617400000000, 0.0080517700000000 ] - [ 0.0020400600000000, -0.0007518600000000, -0.0003989400000000 ] - [ 0.0032630500000000, -0.0023270800000000, 0.0007338000000000 ] - [ 0.0012737000000000, 0.0020895900000000, -0.0008419600000000 ] - [ 0.0019400700000000, 0.0001218000000000, -0.0000737000000000 ] - [ 0.0000957700000000, -0.0001801900000000, 0.0000405600000000 ] - [ -0.0059645000000000, -0.0003223100000000, -0.0184227800000000 ] - [ 0.0018512200000000, 0.0000538000000000, 0.0011446600000000 ] - [ -0.0032407600000000, 0.0004372300000000, 0.0005719100000000 ] - [ 0.0024144800000000, -0.0000759700000000, -0.0000741300000000 ] - [ 0.0018920000000000, 0.0000009400000000, 0.0007158300000000 ] - [ -0.0016222200000000, 0.0047320200000000, -0.0065176300000000 ] - [ 0.0016911900000000, 0.0001080600000000, -0.0003793900000000 ] - [ -0.0013787200000000, -0.0074382700000000, 0.0042296300000000 ] - [ -0.0023315400000000, -0.0005892800000000, -0.0000447500000000 ] - [ 0.0021749000000000, 0.0000127900000000, -0.0000206300000000 ] - [ 0.0160473800000000, -0.0000803400000000, 0.0004414200000000 ] - [ 0.0136934800000000, 0.0019230800000000, 0.0009369600000000 ] - [ -0.0017425100000000, 0.0007301500000000, 0.0001503900000000 ] - [ 0.0008210300000000, 0.0002945600000000, -0.0004364800000000 ] - [ -0.0018216800000000, -0.0045238000000000, -0.0011247300000000 ] - [ 0.0012382600000000, 0.0000265200000000, 0.0001649500000000 ] - [ 0.0016681300000000, 0.0001573600000000, 0.0005137800000000 ] - [ 0.0020193600000000, -0.0009541800000000, 0.0001087800000000 ] - [ -0.0798317500000000, 0.0048729400000000, 0.0039425900000000 ] - [ 0.0027832200000000, 0.0001959500000000, -0.0004387700000000 ] - [ 0.0012930400000000, 0.0001946000000000, 0.0006069000000000 ] - [ -0.0015160900000000, -0.0001462400000000, -0.0003345800000000 ] - [ 0.0017453200000000, -0.0005792100000000, -0.0000168000000000 ] - [ -0.0018713100000000, 0.0017217900000000, 0.0009687300000000 ] - [ -0.0043128300000000, -0.0000478700000000, -0.0005906500000000 ] - [ 0.0018309900000000, -0.0002472800000000, -0.0003273700000000 ] - [ 0.0014557600000000, -0.0015968300000000, -0.0012842000000000 ] - [ 0.0012630900000000, 0.0011377500000000, 0.0001986300000000 ] - [ -0.0010458200000000, 0.0062655700000000, -0.0035387300000000 ] - [ 0.0035771300000000, -0.0007829300000000, 0.0020730100000000 ] - [ -0.0014634400000000, -0.0073095000000000, 0.0097730400000000 ] - [ 0.0037965300000000, 0.0005307200000000, -0.0001767700000000 ] - [ 0.0012527500000000, 0.0023690300000000, -0.0003856200000000 ] - [ 0.0015473800000000, -0.0022486600000000, -0.0000987500000000 ]- atom: 105 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ -0.0039449600000000, -0.0001176200000000, 0.0006550800000000 ] - [ 0.0019469800000000, -0.0002419000000000, -0.0006601100000000 ] - [ 0.0013833800000000, 0.0001162800000000, 0.0003561700000000 ] - [ -0.0016932100000000, -0.0011689100000000, 0.0008366100000000 ] - [ 0.0010157600000000, -0.0001199900000000, 0.0005551500000000 ] - [ -0.0013002300000000, 0.0012813100000000, 0.0002874800000000 ] - [ -0.0110870400000000, -0.0013012300000000, 0.0013613000000000 ] - [ 0.0023344800000000, 0.0002678100000000, -0.0006158700000000 ] - [ 0.0022918400000000, 0.0038613800000000, -0.0009366300000000 ] - [ 0.0029749700000000, -0.0023778200000000, 0.0014950600000000 ] - [ -0.0010636100000000, -0.0002920300000000, -0.0002727000000000 ] - [ 0.0006447100000000, 0.0006017100000000, -0.0004245700000000 ] - [ -0.0014726400000000, -0.0001856600000000, -0.0005633100000000 ] - [ 0.0009552600000000, -0.0008498000000000, -0.0000758100000000 ] - [ 0.0012248600000000, -0.0010858500000000, 0.0015088800000000 ] - [ 0.0014053800000000, 0.0001475400000000, -0.0000059300000000 ] - [ 0.0012229700000000, 0.0004405200000000, 0.0008976500000000 ] - [ -0.0022906200000000, -0.0018342400000000, -0.0043065600000000 ] - [ -0.0033710600000000, -0.0000660600000000, -0.0006985200000000 ] - [ 0.0015435300000000, 0.0003242600000000, -0.0005663600000000 ] - [ -0.0013718500000000, -0.0002689700000000, -0.0006692900000000 ] - [ 0.0011711900000000, -0.0003164000000000, -0.0004842100000000 ] - [ 0.0023929200000000, -0.0001677100000000, -0.0003271000000000 ] - [ -0.0175055900000000, -0.0017405100000000, -0.0042933900000000 ] - [ 0.0011969700000000, -0.0004071500000000, 0.0011921900000000 ] - [ -0.0005028900000000, -0.0047660100000000, -0.0001731200000000 ] - [ -0.0073720500000000, -0.0013353900000000, -0.0016596500000000 ] - [ 0.0016397600000000, 0.0000712700000000, -0.0003574900000000 ] - [ 0.0007600700000000, -0.0005263200000000, 0.0005945500000000 ] - [ 0.0004896000000000, -0.0009782700000000, 0.0005917000000000 ] - [ -0.0014152900000000, 0.0011769900000000, -0.0012580700000000 ] - [ 0.0011146400000000, 0.0000983900000000, -0.0003780600000000 ] - [ 0.0012955800000000, 0.0005661800000000, -0.0008873300000000 ] - [ -0.0013194700000000, -0.0009342700000000, 0.0041032600000000 ] - [ -0.0018175800000000, 0.0002482800000000, 0.0003456200000000 ] - [ 0.0010902500000000, 0.0006786100000000, 0.0008171600000000 ] - [ -0.0021033100000000, -0.0011271300000000, 0.0006460200000000 ] - [ 0.0011594400000000, -0.0007446500000000, 0.0007969700000000 ] - [ 0.0028197900000000, 0.0001384500000000, 0.0002495900000000 ] - [ -0.0087197600000000, -0.0023667300000000, -0.0029256400000000 ] - [ 0.0008994200000000, -0.0013700700000000, 0.0002127900000000 ] - [ 0.0010209800000000, -0.0001992100000000, -0.0003744800000000 ] - [ -0.0026441400000000, 0.0005533800000000, 0.0076320000000000 ] - [ 0.0016730800000000, -0.0010580600000000, -0.0007358300000000 ] - [ -0.0014441000000000, 0.0033760100000000, -0.0036847300000000 ] - [ 0.0006255500000000, 0.0007261000000000, 0.0004178600000000 ] - [ 0.0010036600000000, 0.0002820600000000, -0.0002298600000000 ] - [ 0.0007595300000000, 0.0010624300000000, -0.0000143800000000 ] - [ -0.0095933300000000, 0.0006215000000000, 0.0001986000000000 ] - [ 0.0027907900000000, -0.0002372400000000, 0.0005256500000000 ] - [ 0.0014167200000000, -0.0000999300000000, -0.0005912900000000 ] - [ -0.0019018200000000, -0.0006028500000000, -0.0001444500000000 ] - [ 0.0024935500000000, -0.0001767400000000, -0.0003147900000000 ] - [ -0.0032565800000000, 0.0023021500000000, -0.0011749000000000 ] - [ -0.0129513100000000, -0.0013329700000000, -0.0006569800000000 ] - [ 0.0029302600000000, 0.0002874000000000, 0.0005174400000000 ] - [ 0.0007286500000000, 0.0000813300000000, -0.0006878800000000 ] - [ 0.0004184200000000, -0.0011625900000000, 0.0003043500000000 ] - [ -0.0001647000000000, -0.0027572300000000, -0.0042584000000000 ] - [ 0.0009367500000000, -0.0006107600000000, 0.0001590900000000 ] - [ -0.0016993300000000, 0.0030549800000000, 0.0008690000000000 ] - [ 0.0012135500000000, 0.0005924500000000, -0.0004029800000000 ] - [ 0.0019893900000000, -0.0018866200000000, 0.0007909800000000 ] - [ 0.0017870200000000, 0.0020012100000000, -0.0012051100000000 ] - [ 0.0019591000000000, -0.0009867500000000, 0.0007381500000000 ] - [ 0.0013136400000000, 0.0024961700000000, 0.0007204300000000 ] - [ -0.0028644400000000, 0.0028334400000000, 0.0014988400000000 ] - [ 0.0008069400000000, 0.0005271000000000, -0.0008543800000000 ] - [ -0.0140709700000000, 0.0026095000000000, 0.0018063700000000 ] - [ 0.0021261500000000, -0.0004689100000000, 0.0002724800000000 ] - [ 0.0012523500000000, 0.0005677800000000, 0.0007059300000000 ] - [ 0.0003443800000000, 0.0035715100000000, 0.0046899300000000 ] - [ -0.0023989500000000, -0.0009890900000000, -0.0012070300000000 ] - [ 0.0059883000000000, 0.0157429000000000, 0.0124021300000000 ] - [ 0.0069679400000000, 0.0008367300000000, 0.0018308300000000 ] - [ -0.0031850000000000, -0.0003774800000000, 0.0007011200000000 ] - [ 0.0018949800000000, -0.0000319400000000, 0.0009473500000000 ] - [ -0.0023527800000000, 0.0002993300000000, 0.0006270200000000 ] - [ -0.0022308500000000, 0.0000877600000000, 0.0003964600000000 ] - [ 0.0067348400000000, -0.0040678900000000, -0.0179117800000000 ] - [ 0.0072387300000000, -0.0132476800000000, -0.0081904600000000 ] - [ -0.0036882200000000, 0.0007480300000000, 0.0002528100000000 ] - [ -0.0016178300000000, 0.0023062500000000, -0.0005839100000000 ] - [ 0.0003811200000000, -0.0021143900000000, 0.0009977900000000 ] - [ -0.0002992800000000, -0.0001136400000000, 0.0002197900000000 ] - [ 0.0015612000000000, 0.0001887700000000, 0.0001075200000000 ] - [ 0.0043169900000000, 0.0003286800000000, 0.0182338500000000 ] - [ -0.0034990100000000, -0.0000454600000000, -0.0013014800000000 ] - [ 0.0041466500000000, -0.0001328300000000, -0.0006704300000000 ] - [ -0.0015136200000000, 0.0004208000000000, -0.0000167900000000 ] - [ -0.0027970000000000, 0.0003415900000000, -0.0006191800000000 ] - [ 0.0007421600000000, -0.0044020300000000, 0.0066350700000000 ] - [ -0.0025932300000000, -0.0004481100000000, 0.0004667400000000 ] - [ 0.0005143600000000, 0.0071341400000000, -0.0041623300000000 ] - [ 0.0032385200000000, 0.0002453900000000, -0.0000508100000000 ] - [ -0.0012754400000000, -0.0003577000000000, -0.0000718800000000 ] - [ -0.0148214000000000, 0.0009117900000000, 0.0000270100000000 ] - [ -0.0128032300000000, -0.0010844300000000, -0.0004676800000000 ] - [ 0.0006894700000000, 0.0001236500000000, -0.0006309000000000 ] - [ -0.0018632100000000, 0.0005594800000000, -0.0000395000000000 ] - [ 0.0007685700000000, 0.0036604000000000, 0.0006478400000000 ] - [ -0.0022829800000000, -0.0008829700000000, -0.0006450400000000 ] - [ -0.0006334000000000, -0.0010109000000000, -0.0000391700000000 ] - [ -0.0009730000000000, 0.0001020600000000, 0.0003674300000000 ] - [ 0.0804744000000000, -0.0041035400000000, -0.0040300100000000 ] - [ -0.0028037800000000, 0.0002889000000000, -0.0002872800000000 ] - [ -0.0012779600000000, 0.0002884300000000, 0.0001211900000000 ] - [ 0.0015476400000000, 0.0006265900000000, 0.0010601600000000 ] - [ -0.0017291000000000, 0.0000945200000000, 0.0007410500000000 ] - [ 0.0019059200000000, -0.0022141200000000, -0.0002408900000000 ] - [ 0.0043010800000000, -0.0004301200000000, -0.0001390200000000 ] - [ -0.0018516800000000, -0.0002356500000000, -0.0004000300000000 ] - [ -0.0020471000000000, 0.0015125400000000, -0.0002047700000000 ] - [ -0.0018395000000000, -0.0012248400000000, -0.0016869900000000 ] - [ 0.0015427100000000, -0.0063313700000000, 0.0050235600000000 ] - [ -0.0030020700000000, 0.0007057400000000, -0.0005969800000000 ] - [ 0.0019900000000000, 0.0073689100000000, -0.0082822200000000 ] - [ -0.0032215200000000, -0.0004488400000000, 0.0016700800000000 ] - [ -0.0018491500000000, -0.0022688600000000, -0.0010953400000000 ] - [ -0.0021176000000000, 0.0023455800000000, -0.0013850400000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002276400000000, 0.0023863200000000, 0.0019305900000000 ] - [ 0.0002761400000000, -0.0000448500000000, -0.0004633800000000 ] - [ -0.0009202500000000, -0.0010303700000000, 0.0005827800000000 ] - [ 0.0010779700000000, -0.0032500900000000, 0.0006637200000000 ] - [ 0.0001639500000000, 0.0000681600000000, 0.0005501200000000 ] - [ -0.0007385200000000, -0.0000120000000000, 0.0009329400000000 ] - [ -0.0001666600000000, 0.0185082800000000, -0.0070338300000000 ] - [ 0.0002061200000000, 0.0003936300000000, -0.0005350000000000 ] - [ -0.0034389800000000, 0.0007088400000000, 0.0000823800000000 ] - [ 0.0014411500000000, 0.0007202800000000, 0.0005548200000000 ] - [ 0.0008111300000000, -0.0006340200000000, 0.0012204200000000 ] - [ -0.0004682800000000, 0.0002061000000000, -0.0002226900000000 ] - [ -0.0023681700000000, -0.0048550700000000, -0.0008774600000000 ] - [ -0.0000856300000000, -0.0007896500000000, -0.0002978600000000 ] - [ 0.0005694300000000, 0.0007544700000000, 0.0002259800000000 ] - [ 0.0001066600000000, 0.0002620700000000, 0.0003330200000000 ] - [ -0.0002488400000000, 0.0005697400000000, 0.0004782800000000 ] - [ 0.0016267100000000, 0.0014976700000000, -0.0019159800000000 ] - [ -0.0002471000000000, -0.0079916000000000, -0.0020240000000000 ] - [ 0.0001520700000000, 0.0000235500000000, -0.0005804900000000 ] - [ 0.0002644900000000, -0.0018164700000000, 0.0000938100000000 ] - [ 0.0000912400000000, -0.0004395800000000, -0.0004474800000000 ] - [ 0.0001241800000000, 0.0002713100000000, 0.0004272200000000 ] - [ 0.0012293300000000, 0.0073931700000000, 0.0016347700000000 ] - [ -0.0007776100000000, -0.0004406700000000, 0.0002688900000000 ] - [ 0.0027050500000000, -0.0022664000000000, 0.0007456700000000 ] - [ 0.0018320100000000, 0.0035383000000000, 0.0022160500000000 ] - [ -0.0000390000000000, -0.0004237200000000, -0.0007486500000000 ] - [ 0.0002640600000000, -0.0013247300000000, 0.0007819000000000 ] - [ 0.0004769300000000, -0.0011750700000000, 0.0008054900000000 ] - [ 0.0008802300000000, -0.0021213900000000, 0.0030411300000000 ] - [ 0.0000824200000000, 0.0003853900000000, -0.0006121000000000 ] - [ -0.0000816000000000, 0.0010314700000000, -0.0007383200000000 ] - [ 0.0001465000000000, 0.0026196700000000, -0.0015941800000000 ] - [ -0.0000994700000000, -0.0014004800000000, -0.0002338900000000 ] - [ -0.0001548300000000, 0.0002886300000000, 0.0006075300000000 ] - [ -0.0002550600000000, -0.0069663700000000, 0.0018760400000000 ] - [ -0.0000077200000000, -0.0008910700000000, 0.0007056600000000 ] - [ 0.0002828300000000, 0.0002273800000000, -0.0005099200000000 ] - [ 0.0016137300000000, 0.0079961600000000, -0.0008245600000000 ] - [ 0.0006113000000000, -0.0026881000000000, -0.0003183000000000 ] - [ -0.0002774600000000, -0.0025490200000000, -0.0000819900000000 ] - [ -0.0018909400000000, 0.0085496100000000, -0.0007511500000000 ] - [ -0.0004818200000000, -0.0002005900000000, 0.0000083800000000 ] - [ -0.0013327800000000, 0.0059025200000000, -0.0000394300000000 ] - [ -0.0005055700000000, 0.0011235500000000, 0.0000898000000000 ] - [ 0.0009191200000000, -0.0004215900000000, 0.0000516900000000 ] - [ 0.0005559600000000, -0.0000310100000000, -0.0001802400000000 ] - [ -0.0007108400000000, 0.0013558400000000, -0.0018372200000000 ] - [ 0.0001980300000000, 0.0000202500000000, 0.0004310400000000 ] - [ -0.0003930100000000, -0.0005514600000000, -0.0003504600000000 ] - [ 0.0003916600000000, -0.0012113200000000, -0.0001682700000000 ] - [ 0.0006679400000000, -0.0002754900000000, -0.0003573500000000 ] - [ -0.0052048800000000, -0.0028367900000000, 0.0006989900000000 ] - [ 0.0004650500000000, -0.0001038200000000, -0.0059965900000000 ] - [ 0.0001331300000000, 0.0003917000000000, 0.0004521300000000 ] - [ -0.0004067500000000, -0.0011236900000000, 0.0005323700000000 ] - [ 0.0007109300000000, -0.0009733700000000, 0.0003187200000000 ] - [ 0.0006285100000000, -0.0010806600000000, -0.0017459700000000 ] - [ -0.0004659100000000, -0.0005114100000000, 0.0001195800000000 ] - [ -0.0031968300000000, -0.0014212300000000, -0.0008533600000000 ] - [ 0.0001797000000000, 0.0005196700000000, -0.0000475700000000 ] - [ 0.0029780900000000, 0.0005990300000000, 0.0001825300000000 ] - [ -0.0009280200000000, 0.0015625200000000, 0.0004771300000000 ] - [ 0.0015079700000000, -0.0004350300000000, 0.0005738700000000 ] - [ -0.0011739900000000, 0.0000084800000000, 0.0001854300000000 ] - [ -0.0023568600000000, 0.0014923300000000, -0.0029157300000000 ] - [ -0.0002599700000000, 0.0007944800000000, -0.0007178500000000 ] - [ -0.0042773100000000, 0.0086088000000000, 0.0016350500000000 ] - [ -0.0004863400000000, -0.0004185200000000, -0.0006708900000000 ] - [ 0.0004043500000000, 0.0006682200000000, 0.0007384300000000 ] - [ -0.0007106800000000, 0.0005702700000000, 0.0002133700000000 ] - [ 0.0009128400000000, -0.0009627400000000, -0.0005310300000000 ] - [ -0.0127578900000000, 0.0004986900000000, 0.0080586200000000 ] - [ 0.0040162900000000, 0.0185047000000000, -0.0035532600000000 ] - [ -0.0009679100000000, 0.0002137500000000, 0.0007395600000000 ] - [ -0.0013962200000000, 0.0039514400000000, 0.0002261400000000 ] - [ -0.0004018900000000, 0.0004722100000000, 0.0005498800000000 ] - [ 0.0002758900000000, -0.0006136000000000, -0.0005046000000000 ] - [ 0.0029960800000000, -0.0022497900000000, 0.0032089600000000 ] - [ 0.0122966800000000, -0.0002335600000000, 0.0102177600000000 ] - [ -0.0010383800000000, -0.0003748400000000, 0.0000305800000000 ] - [ -0.0009456300000000, 0.0026699600000000, -0.0000820000000000 ] - [ 0.0058219300000000, 0.0012156300000000, 0.0000899500000000 ] - [ 0.0011857300000000, 0.0016015000000000, -0.0002128300000000 ] - [ 0.0002767000000000, 0.0009537900000000, -0.0001758500000000 ] - [ -0.0024219300000000, -0.0051816800000000, 0.0087658000000000 ] - [ -0.0007234700000000, -0.0004913500000000, -0.0000096200000000 ] - [ -0.0000639100000000, 0.0133125100000000, 0.0017941600000000 ] - [ 0.0006066200000000, 0.0004492100000000, 0.0000631300000000 ] - [ -0.0009965800000000, -0.0003508400000000, -0.0002071700000000 ] - [ 0.0029022000000000, -0.0027020400000000, -0.0027570900000000 ] - [ 0.0004327600000000, -0.0004068000000000, -0.0004175200000000 ] - [ -0.0075515700000000, 0.0015871100000000, -0.0056496400000000 ] - [ 0.0008816800000000, 0.0009089900000000, -0.0004021400000000 ] - [ 0.0003859700000000, -0.0001056600000000, -0.0000991700000000 ] - [ -0.0022678100000000, -0.0039074600000000, -0.0004330200000000 ] - [ 0.0017439000000000, -0.0020701100000000, -0.0006665500000000 ] - [ -0.0009141600000000, 0.0030825900000000, -0.0002187600000000 ] - [ -0.0005492500000000, 0.0008304700000000, -0.0002814200000000 ] - [ -0.0028967800000000, 0.0037186700000000, 0.0018111400000000 ] - [ -0.0000686800000000, -0.0000311100000000, -0.0000162600000000 ] - [ 0.0012426800000000, -0.0011376000000000, 0.0002806800000000 ] - [ 0.0000237500000000, -0.0007727900000000, 0.0005930000000000 ] - [ 0.0042666800000000, -0.0646477400000000, 0.0049871500000000 ] - [ -0.0000540300000000, -0.0001179600000000, -0.0003498800000000 ] - [ 0.0000581200000000, 0.0008267400000000, 0.0004084800000000 ] - [ 0.0003916400000000, 0.0025951800000000, -0.0003534000000000 ] - [ -0.0003253300000000, 0.0004472300000000, 0.0004160900000000 ] - [ 0.0019635100000000, 0.0026331800000000, 0.0023035600000000 ] - [ -0.0002060800000000, -0.0026750800000000, -0.0000450900000000 ] - [ -0.0000018700000000, -0.0004431900000000, -0.0003753600000000 ] - [ -0.0019642600000000, 0.0000339200000000, -0.0009480000000000 ] - [ 0.0005348100000000, 0.0001157200000000, -0.0005761900000000 ] - [ 0.0109449400000000, 0.0036889800000000, -0.0084390700000000 ] - [ -0.0003271600000000, -0.0000259900000000, 0.0003483300000000 ] - [ -0.0078242500000000, -0.0063187400000000, -0.0081818800000000 ] - [ 0.0007052500000000, -0.0005405900000000, 0.0005163800000000 ] - [ 0.0027726900000000, 0.0028220600000000, 0.0002125200000000 ] - [ -0.0023650100000000, 0.0019159000000000, -0.0009106300000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006412800000000, -0.0028884100000000, -0.0029425700000000 ] - [ 0.0001288500000000, -0.0004453600000000, -0.0005455700000000 ] - [ 0.0005055900000000, 0.0005399600000000, 0.0004271600000000 ] - [ -0.0014598900000000, 0.0027608600000000, 0.0003479800000000 ] - [ -0.0005724500000000, 0.0004187300000000, 0.0004576600000000 ] - [ 0.0003346300000000, 0.0004916300000000, 0.0000696300000000 ] - [ 0.0007257800000000, -0.0169120000000000, 0.0053185200000000 ] - [ 0.0001979400000000, 0.0000984600000000, -0.0004734700000000 ] - [ 0.0040500300000000, -0.0000916800000000, 0.0005021200000000 ] - [ -0.0008070000000000, -0.0000942200000000, 0.0000285800000000 ] - [ -0.0014459200000000, 0.0012371000000000, -0.0018102300000000 ] - [ -0.0001673200000000, 0.0004010200000000, -0.0003640500000000 ] - [ 0.0017210700000000, 0.0042464700000000, 0.0003017300000000 ] - [ -0.0005450500000000, 0.0001826000000000, -0.0002860900000000 ] - [ 0.0000672000000000, -0.0013655000000000, 0.0003619100000000 ] - [ 0.0005245500000000, -0.0008722900000000, 0.0002515800000000 ] - [ 0.0000141700000000, -0.0000487500000000, 0.0005357100000000 ] - [ -0.0018462400000000, -0.0009620300000000, 0.0029465300000000 ] - [ 0.0004821600000000, 0.0085883200000000, 0.0010124300000000 ] - [ 0.0000794800000000, 0.0004936800000000, -0.0004343900000000 ] - [ -0.0000285100000000, 0.0012994800000000, -0.0011090500000000 ] - [ 0.0001401700000000, -0.0000789000000000, -0.0005650100000000 ] - [ -0.0003568400000000, -0.0007880800000000, 0.0005847400000000 ] - [ -0.0014439000000000, -0.0078759100000000, -0.0006283600000000 ] - [ 0.0007258400000000, -0.0005297800000000, 0.0011463800000000 ] - [ -0.0027399900000000, 0.0013194000000000, 0.0006649800000000 ] - [ -0.0016853100000000, -0.0050000400000000, -0.0033211300000000 ] - [ 0.0000829200000000, -0.0005543500000000, -0.0006700400000000 ] - [ 0.0005009600000000, -0.0000831000000000, 0.0005572000000000 ] - [ 0.0002929400000000, -0.0002306700000000, 0.0005346600000000 ] - [ -0.0008331700000000, 0.0030934500000000, -0.0044583700000000 ] - [ -0.0000378200000000, 0.0005904100000000, -0.0008066700000000 ] - [ 0.0002466200000000, 0.0000720500000000, -0.0006235300000000 ] - [ 0.0000233600000000, -0.0014973400000000, 0.0002023200000000 ] - [ -0.0000658700000000, 0.0025010800000000, 0.0016089200000000 ] - [ -0.0000140900000000, 0.0008114300000000, 0.0007554200000000 ] - [ 0.0000839900000000, 0.0058608900000000, -0.0005414600000000 ] - [ -0.0001605200000000, -0.0002098200000000, 0.0006560800000000 ] - [ -0.0001134100000000, -0.0013261600000000, -0.0008521400000000 ] - [ -0.0014449500000000, -0.0090337800000000, -0.0005077900000000 ] - [ 0.0005640500000000, 0.0012733800000000, 0.0002090600000000 ] - [ 0.0014669100000000, 0.0011405400000000, -0.0000256000000000 ] - [ 0.0007039100000000, -0.0099450400000000, 0.0008680900000000 ] - [ -0.0007082700000000, -0.0012083500000000, 0.0001021300000000 ] - [ 0.0001486500000000, -0.0044662400000000, 0.0001519900000000 ] - [ -0.0006803800000000, 0.0002871100000000, 0.0000178500000000 ] - [ 0.0002593700000000, 0.0018283100000000, -0.0001552700000000 ] - [ 0.0006266000000000, 0.0014378700000000, 0.0000770300000000 ] - [ 0.0010492100000000, -0.0017208400000000, 0.0027269000000000 ] - [ 0.0001175500000000, -0.0003731700000000, 0.0004773200000000 ] - [ 0.0000692600000000, 0.0001988000000000, -0.0005589400000000 ] - [ -0.0007043700000000, 0.0008607200000000, -0.0007388900000000 ] - [ -0.0009934500000000, 0.0006267200000000, -0.0005526200000000 ] - [ 0.0049283700000000, 0.0032040300000000, -0.0016292100000000 ] - [ -0.0001374100000000, 0.0006807800000000, 0.0070066700000000 ] - [ 0.0001815500000000, -0.0000369100000000, 0.0004575300000000 ] - [ 0.0009092500000000, -0.0001458400000000, -0.0007217600000000 ] - [ -0.0002014600000000, -0.0002922500000000, -0.0005120800000000 ] - [ -0.0011296500000000, -0.0002024700000000, 0.0019281800000000 ] - [ -0.0000430700000000, -0.0007612400000000, 0.0000743400000000 ] - [ 0.0026756500000000, 0.0026927800000000, 0.0010243500000000 ] - [ -0.0006867700000000, 0.0007549400000000, 0.0002410300000000 ] - [ -0.0024796700000000, 0.0006638500000000, -0.0003807300000000 ] - [ 0.0014378400000000, -0.0003078500000000, -0.0006727100000000 ] - [ -0.0007464100000000, 0.0018380800000000, 0.0007678300000000 ] - [ 0.0019532400000000, 0.0013905400000000, 0.0011596100000000 ] - [ 0.0015847200000000, -0.0000719000000000, 0.0015747500000000 ] - [ -0.0005103000000000, 0.0006166200000000, -0.0006194300000000 ] - [ 0.0036668700000000, -0.0100194800000000, -0.0030798800000000 ] - [ -0.0002900800000000, -0.0009917900000000, -0.0006727700000000 ] - [ -0.0004495400000000, 0.0003047200000000, 0.0006808200000000 ] - [ 0.0006586600000000, 0.0003769800000000, 0.0011838000000000 ] - [ 0.0001873300000000, 0.0007547300000000, -0.0007603000000000 ] - [ 0.0137707400000000, -0.0008030900000000, -0.0093296500000000 ] - [ -0.0051144000000000, -0.0188417400000000, 0.0049847800000000 ] - [ -0.0001232000000000, -0.0004115400000000, 0.0005537600000000 ] - [ 0.0002941100000000, -0.0037533500000000, 0.0010609900000000 ] - [ -0.0006900200000000, -0.0002708500000000, 0.0007410300000000 ] - [ 0.0008220000000000, 0.0008134300000000, -0.0007867200000000 ] - [ -0.0019066200000000, 0.0024900100000000, -0.0043964400000000 ] - [ -0.0138967100000000, 0.0001646600000000, -0.0102907400000000 ] - [ -0.0006044000000000, 0.0003583200000000, -0.0001803100000000 ] - [ 0.0026032400000000, -0.0026744500000000, 0.0002319100000000 ] - [ -0.0042161100000000, -0.0012137900000000, 0.0000549200000000 ] - [ 0.0004661100000000, -0.0015901600000000, 0.0003604700000000 ] - [ 0.0013651900000000, -0.0009461300000000, 0.0003216400000000 ] - [ 0.0007493400000000, 0.0051965600000000, -0.0088658700000000 ] - [ -0.0009175200000000, 0.0005014000000000, -0.0001348900000000 ] - [ 0.0009654100000000, -0.0128752900000000, -0.0018687400000000 ] - [ 0.0002995900000000, -0.0001074500000000, -0.0001540100000000 ] - [ 0.0000951100000000, 0.0006972600000000, 0.0003004300000000 ] - [ -0.0038040500000000, 0.0030877600000000, 0.0028353900000000 ] - [ -0.0013282000000000, 0.0000602600000000, 0.0005061300000000 ] - [ 0.0065922300000000, -0.0019519100000000, 0.0056904300000000 ] - [ 0.0000175000000000, -0.0012405300000000, 0.0003118100000000 ] - [ 0.0005186600000000, -0.0002358200000000, 0.0000072600000000 ] - [ 0.0032674600000000, 0.0047630500000000, 0.0009103600000000 ] - [ -0.0006416700000000, 0.0029384500000000, 0.0011408900000000 ] - [ -0.0001254600000000, -0.0022284300000000, -0.0002487000000000 ] - [ -0.0004952000000000, 0.0000224900000000, -0.0001943300000000 ] - [ 0.0018819500000000, -0.0045674300000000, -0.0023163500000000 ] - [ -0.0009758600000000, -0.0008185200000000, -0.0004636500000000 ] - [ -0.0001986600000000, 0.0002799700000000, 0.0001930900000000 ] - [ 0.0010271900000000, -0.0000858400000000, -0.0001151500000000 ] - [ -0.0047046900000000, 0.0640972200000000, -0.0054818800000000 ] - [ 0.0000387900000000, 0.0006012100000000, -0.0003774500000000 ] - [ -0.0000350400000000, -0.0003412500000000, 0.0003207100000000 ] - [ -0.0003805000000000, -0.0021173400000000, 0.0010908300000000 ] - [ 0.0003484400000000, -0.0009282400000000, 0.0003084500000000 ] - [ -0.0019717700000000, -0.0031142800000000, -0.0016049200000000 ] - [ 0.0001761100000000, 0.0021827100000000, -0.0006839600000000 ] - [ -0.0000144200000000, -0.0000419400000000, -0.0003513100000000 ] - [ 0.0013837600000000, -0.0001082800000000, -0.0005384100000000 ] - [ -0.0011087100000000, -0.0001877200000000, -0.0009051300000000 ] - [ -0.0103059100000000, -0.0037422300000000, 0.0098476300000000 ] - [ 0.0009108500000000, -0.0000644200000000, 0.0011387100000000 ] - [ 0.0084151400000000, 0.0064522900000000, 0.0096874400000000 ] - [ -0.0001199700000000, 0.0006306300000000, 0.0009710200000000 ] - [ -0.0033267900000000, -0.0027329300000000, -0.0016930700000000 ] - [ 0.0017675100000000, -0.0018497200000000, -0.0005698400000000 ]- atom: 105 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ 0.0004535100000000, 0.0007701300000000, -0.0068494100000000 ] - [ 0.0002013700000000, -0.0002303600000000, -0.0007963800000000 ] - [ 0.0004500300000000, 0.0000876000000000, 0.0008322500000000 ] - [ -0.0012910900000000, 0.0004968500000000, 0.0025265200000000 ] - [ -0.0005980700000000, 0.0004887800000000, 0.0000907700000000 ] - [ 0.0005267400000000, 0.0006926600000000, -0.0017619100000000 ] - [ 0.0000771100000000, -0.0038124900000000, 0.0104486000000000 ] - [ 0.0002670400000000, 0.0002750900000000, -0.0002488600000000 ] - [ 0.0029648100000000, 0.0015777500000000, 0.0025103400000000 ] - [ -0.0005295900000000, 0.0010598100000000, 0.0020652200000000 ] - [ -0.0013320600000000, 0.0010700000000000, -0.0027068000000000 ] - [ -0.0001616300000000, 0.0004582900000000, -0.0006796200000000 ] - [ 0.0013085300000000, 0.0016090300000000, 0.0015597000000000 ] - [ -0.0004840800000000, -0.0000850900000000, -0.0000031600000000 ] - [ -0.0009829600000000, 0.0004729900000000, -0.0022487600000000 ] - [ 0.0009513800000000, 0.0000068300000000, -0.0011746900000000 ] - [ -0.0004206900000000, 0.0001521700000000, 0.0002465400000000 ] - [ 0.0014442000000000, -0.0003757100000000, -0.0047610800000000 ] - [ 0.0003779500000000, 0.0002278700000000, 0.0041989100000000 ] - [ 0.0001598500000000, 0.0003415800000000, -0.0000923600000000 ] - [ 0.0000726900000000, -0.0001321600000000, -0.0025781200000000 ] - [ 0.0001498500000000, -0.0001864600000000, -0.0008578700000000 ] - [ 0.0004617800000000, -0.0003024100000000, 0.0006580200000000 ] - [ 0.0055656500000000, 0.0008575200000000, 0.0125405700000000 ] - [ -0.0004381100000000, -0.0005757800000000, 0.0010909900000000 ] - [ 0.0030655000000000, -0.0048850100000000, 0.0018595400000000 ] - [ -0.0002869000000000, 0.0015356900000000, 0.0035286600000000 ] - [ 0.0002457100000000, -0.0003765600000000, -0.0004763800000000 ] - [ 0.0000194600000000, -0.0007365300000000, -0.0003451500000000 ] - [ 0.0006375200000000, -0.0007941800000000, -0.0004385000000000 ] - [ -0.0006088600000000, 0.0022617700000000, -0.0036901800000000 ] - [ -0.0000593900000000, 0.0005672800000000, -0.0008909000000000 ] - [ 0.0003027900000000, 0.0006110400000000, -0.0012636600000000 ] - [ -0.0013714200000000, 0.0025042300000000, -0.0056339200000000 ] - [ -0.0003615200000000, 0.0003292600000000, -0.0002628100000000 ] - [ -0.0000418000000000, 0.0005575500000000, 0.0005308800000000 ] - [ 0.0004054900000000, 0.0020747700000000, 0.0017116100000000 ] - [ -0.0000645900000000, -0.0004906600000000, 0.0008104000000000 ] - [ -0.0002288800000000, -0.0004677200000000, 0.0002284700000000 ] - [ 0.0022071700000000, -0.0006691100000000, 0.0050824700000000 ] - [ 0.0000551600000000, -0.0004805300000000, 0.0009302300000000 ] - [ 0.0013362400000000, -0.0005430900000000, 0.0006536400000000 ] - [ -0.0061635800000000, -0.0008980400000000, -0.0005213500000000 ] - [ 0.0001561700000000, -0.0006456200000000, 0.0002168600000000 ] - [ 0.0013818600000000, 0.0024706600000000, -0.0041928600000000 ] - [ -0.0009693700000000, 0.0008283200000000, -0.0001591300000000 ] - [ 0.0009600600000000, 0.0005622800000000, -0.0008484800000000 ] - [ 0.0002850500000000, 0.0004552300000000, -0.0005581200000000 ] - [ 0.0001036200000000, -0.0017830000000000, -0.0067306100000000 ] - [ 0.0002212000000000, -0.0001830100000000, 0.0003032100000000 ] - [ 0.0001905300000000, -0.0000312200000000, -0.0007866400000000 ] - [ -0.0008345100000000, 0.0004297000000000, -0.0013544500000000 ] - [ -0.0008049300000000, 0.0005368000000000, 0.0000595100000000 ] - [ 0.0029149000000000, 0.0024893500000000, 0.0007358300000000 ] - [ -0.0002600200000000, -0.0070495000000000, -0.0009259200000000 ] - [ 0.0002905400000000, 0.0001201400000000, 0.0005353800000000 ] - [ 0.0011161000000000, 0.0001282200000000, -0.0010311900000000 ] - [ -0.0004211300000000, -0.0002714300000000, -0.0006060600000000 ] - [ 0.0022815500000000, -0.0036261300000000, -0.0045302600000000 ] - [ -0.0007985700000000, -0.0006889500000000, -0.0001786600000000 ] - [ -0.0032115400000000, -0.0032003500000000, 0.0029719100000000 ] - [ 0.0003824200000000, 0.0006163700000000, 0.0003478300000000 ] - [ -0.0026955000000000, 0.0024590400000000, 0.0014710100000000 ] - [ 0.0016412300000000, 0.0011513300000000, 0.0002317400000000 ] - [ 0.0012377600000000, 0.0002197300000000, 0.0024715200000000 ] - [ 0.0000939200000000, 0.0001747400000000, 0.0024314500000000 ] - [ -0.0017152100000000, -0.0007109200000000, -0.0052570900000000 ] - [ -0.0002460900000000, 0.0006890300000000, -0.0010622000000000 ] - [ -0.0056142600000000, 0.0019997200000000, 0.0100222700000000 ] - [ -0.0005283400000000, -0.0006830700000000, -0.0002021300000000 ] - [ 0.0004638100000000, 0.0004209000000000, 0.0002589500000000 ] - [ -0.0027064100000000, -0.0029757900000000, -0.0031011000000000 ] - [ 0.0011195900000000, 0.0000126200000000, -0.0007736600000000 ] - [ -0.0114453100000000, 0.0111598500000000, 0.0102309800000000 ] - [ -0.0043768300000000, -0.0103378900000000, -0.0063564100000000 ] - [ -0.0004148100000000, -0.0003300100000000, 0.0000837900000000 ] - [ 0.0001539700000000, -0.0014736300000000, 0.0032721500000000 ] - [ -0.0006982000000000, -0.0000417700000000, 0.0011233800000000 ] - [ -0.0000899700000000, 0.0000329400000000, -0.0002171200000000 ] - [ 0.0086590100000000, 0.0033274100000000, 0.0154058100000000 ] - [ 0.0105492600000000, 0.0133837200000000, 0.0092814700000000 ] - [ -0.0015357200000000, 0.0002298800000000, 0.0002193500000000 ] - [ 0.0019961300000000, -0.0015932400000000, -0.0028910800000000 ] - [ -0.0014302700000000, -0.0006446500000000, -0.0025707400000000 ] - [ 0.0003249100000000, -0.0005128100000000, 0.0016132000000000 ] - [ 0.0013526900000000, -0.0002479000000000, 0.0015791100000000 ] - [ -0.0101384300000000, 0.0039420200000000, 0.0172448900000000 ] - [ -0.0001873000000000, 0.0000533300000000, -0.0000848900000000 ] - [ 0.0011898900000000, -0.0005569700000000, -0.0065324100000000 ] - [ 0.0002448600000000, 0.0001813200000000, -0.0005820500000000 ] - [ 0.0005036600000000, 0.0000909800000000, 0.0003182700000000 ] - [ -0.0060337300000000, -0.0041575800000000, 0.0073451600000000 ] - [ -0.0012748900000000, -0.0003254900000000, 0.0002295500000000 ] - [ 0.0053710300000000, -0.0069091300000000, 0.0023124900000000 ] - [ 0.0002261100000000, 0.0002018100000000, 0.0039995900000000 ] - [ 0.0005083300000000, -0.0001521000000000, 0.0004655100000000 ] - [ -0.0015629200000000, -0.0001530400000000, -0.0064967300000000 ] - [ 0.0008304100000000, -0.0004096400000000, -0.0066199800000000 ] - [ 0.0003283100000000, 0.0010883400000000, 0.0009548400000000 ] - [ -0.0008230200000000, 0.0005052700000000, 0.0000874400000000 ] - [ -0.0010873600000000, 0.0026778900000000, -0.0006412000000000 ] - [ -0.0002884700000000, -0.0002724100000000, -0.0004883100000000 ] - [ 0.0007834400000000, -0.0004285700000000, 0.0030599700000000 ] - [ 0.0004764800000000, -0.0006613800000000, 0.0027410500000000 ] - [ 0.0057124800000000, 0.0052812600000000, -0.0781378100000000 ] - [ -0.0001428200000000, 0.0002555800000000, -0.0011009800000000 ] - [ 0.0002254900000000, 0.0001975500000000, 0.0005290500000000 ] - [ -0.0006562100000000, 0.0009711500000000, 0.0019148700000000 ] - [ -0.0004069200000000, -0.0001798700000000, 0.0003385900000000 ] - [ 0.0006539100000000, 0.0016708600000000, -0.0003674500000000 ] - [ -0.0001457600000000, -0.0005523600000000, 0.0063650600000000 ] - [ -0.0000108800000000, -0.0002284300000000, 0.0002533200000000 ] - [ -0.0011285300000000, 0.0000239600000000, 0.0031726500000000 ] - [ 0.0008856500000000, 0.0005943600000000, 0.0026068200000000 ] - [ -0.0077388600000000, -0.0077009100000000, 0.0055815700000000 ] - [ 0.0008920800000000, -0.0003427200000000, 0.0005520400000000 ] - [ 0.0094038700000000, -0.0069283700000000, 0.0130762300000000 ] - [ -0.0006761800000000, -0.0001801700000000, 0.0014146400000000 ] - [ 0.0002512500000000, -0.0002593400000000, -0.0053012000000000 ] - [ -0.0015465700000000, 0.0007510800000000, -0.0045658500000000 ]- atom: 105 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ -0.0000689600000000, -0.0012382300000000, 0.0058184200000000 ] - [ 0.0001977200000000, -0.0002599600000000, -0.0002075300000000 ] - [ -0.0008470500000000, -0.0005761300000000, 0.0001716700000000 ] - [ 0.0008877500000000, -0.0009854300000000, -0.0015232100000000 ] - [ 0.0001961000000000, 0.0000024900000000, 0.0009136100000000 ] - [ -0.0009189700000000, -0.0001960100000000, 0.0027647400000000 ] - [ 0.0003679800000000, 0.0047144100000000, -0.0116707200000000 ] - [ 0.0001311000000000, 0.0002147600000000, -0.0007546200000000 ] - [ -0.0023156600000000, -0.0009734100000000, -0.0019279900000000 ] - [ 0.0011671700000000, -0.0004570600000000, -0.0014810900000000 ] - [ 0.0006860200000000, -0.0004611600000000, 0.0021214400000000 ] - [ -0.0004756000000000, 0.0001458200000000, 0.0000943700000000 ] - [ -0.0019377500000000, -0.0022030200000000, -0.0021408600000000 ] - [ -0.0001558600000000, -0.0005177700000000, -0.0005832900000000 ] - [ 0.0016147900000000, -0.0010731800000000, 0.0028338000000000 ] - [ -0.0003049500000000, -0.0006088300000000, 0.0017602600000000 ] - [ 0.0001838600000000, 0.0003593000000000, 0.0007699400000000 ] - [ -0.0016647300000000, 0.0008806900000000, 0.0057840600000000 ] - [ -0.0001388500000000, 0.0002695000000000, -0.0052141400000000 ] - [ 0.0000755100000000, 0.0001700200000000, -0.0009219600000000 ] - [ 0.0001635200000000, -0.0003754800000000, 0.0015602000000000 ] - [ 0.0000852400000000, -0.0003240700000000, -0.0001561400000000 ] - [ -0.0006944300000000, -0.0002096300000000, 0.0003541400000000 ] - [ -0.0063628800000000, -0.0014282100000000, -0.0119495800000000 ] - [ 0.0003931700000000, -0.0003993400000000, 0.0003299500000000 ] - [ -0.0030986900000000, 0.0039037300000000, -0.0004344600000000 ] - [ 0.0003884400000000, -0.0027138700000000, -0.0047810100000000 ] - [ -0.0001994900000000, -0.0005982500000000, -0.0009409000000000 ] - [ 0.0007426300000000, -0.0006696400000000, 0.0016798800000000 ] - [ 0.0001270100000000, -0.0006118400000000, 0.0017723300000000 ] - [ 0.0006513600000000, -0.0012893900000000, 0.0022551400000000 ] - [ 0.0001052900000000, 0.0004075300000000, -0.0005288400000000 ] - [ -0.0001410300000000, 0.0004930000000000, -0.0000987900000000 ] - [ 0.0015581900000000, -0.0014034100000000, 0.0042617100000000 ] - [ 0.0001961800000000, 0.0007796400000000, 0.0016158000000000 ] - [ -0.0001233000000000, 0.0005451200000000, 0.0008271500000000 ] - [ -0.0005704500000000, -0.0031827100000000, -0.0003460100000000 ] - [ -0.0001000400000000, -0.0006110700000000, 0.0005494000000000 ] - [ 0.0003945900000000, -0.0006356400000000, -0.0015860600000000 ] - [ -0.0022430900000000, -0.0003725400000000, -0.0062694800000000 ] - [ 0.0011227400000000, -0.0009284900000000, -0.0010297300000000 ] - [ -0.0001594300000000, -0.0008677000000000, -0.0007533800000000 ] - [ 0.0050713000000000, -0.0004772600000000, 0.0007775900000000 ] - [ -0.0013352400000000, -0.0007660300000000, -0.0001123300000000 ] - [ -0.0025778400000000, -0.0010689900000000, 0.0042811100000000 ] - [ -0.0002083500000000, 0.0005811000000000, 0.0002597300000000 ] - [ 0.0002159300000000, 0.0008501800000000, 0.0007448400000000 ] - [ 0.0008928800000000, 0.0009567200000000, 0.0004540000000000 ] - [ 0.0002152200000000, 0.0014591600000000, 0.0076955500000000 ] - [ 0.0000971800000000, -0.0001686400000000, 0.0005991500000000 ] - [ -0.0005100400000000, -0.0003197800000000, -0.0001181300000000 ] - [ 0.0005170700000000, -0.0007803200000000, 0.0004489800000000 ] - [ 0.0004857800000000, -0.0001840100000000, -0.0009607700000000 ] - [ -0.0032311200000000, -0.0021343100000000, -0.0016282400000000 ] - [ 0.0005743600000000, 0.0074557500000000, 0.0019652000000000 ] - [ 0.0000273200000000, 0.0002307800000000, 0.0003701500000000 ] - [ -0.0006101500000000, -0.0014004600000000, 0.0008316500000000 ] - [ 0.0009280000000000, -0.0009995400000000, 0.0004081300000000 ] - [ -0.0028058500000000, 0.0023550000000000, 0.0047064200000000 ] - [ 0.0002938800000000, -0.0005835400000000, 0.0003729000000000 ] - [ 0.0026952400000000, 0.0044602000000000, -0.0027619500000000 ] - [ -0.0008891300000000, 0.0006554800000000, -0.0001508400000000 ] - [ 0.0031984700000000, -0.0011827000000000, -0.0016593000000000 ] - [ -0.0011350600000000, 0.0001233900000000, -0.0004216600000000 ] - [ -0.0004711200000000, 0.0011837600000000, -0.0011325800000000 ] - [ 0.0006675000000000, 0.0012291700000000, -0.0010938600000000 ] - [ 0.0009415700000000, 0.0021100200000000, 0.0039204500000000 ] - [ -0.0005169900000000, 0.0007165000000000, -0.0002716100000000 ] - [ 0.0053191700000000, -0.0036265000000000, -0.0116936600000000 ] - [ -0.0002378800000000, -0.0007226900000000, -0.0011365000000000 ] - [ -0.0005109900000000, 0.0005538800000000, 0.0011567700000000 ] - [ 0.0026805700000000, 0.0039502100000000, 0.0045107200000000 ] - [ -0.0000266600000000, -0.0002164100000000, -0.0005197900000000 ] - [ 0.0124212000000000, -0.0112831700000000, -0.0115051000000000 ] - [ 0.0032857300000000, 0.0101487700000000, 0.0076130700000000 ] - [ -0.0006767700000000, 0.0001248700000000, 0.0012067900000000 ] - [ -0.0012467000000000, 0.0016727400000000, -0.0019750400000000 ] - [ -0.0003932300000000, 0.0002468600000000, 0.0001685600000000 ] - [ 0.0011812400000000, 0.0001710300000000, -0.0010685400000000 ] - [ -0.0077418500000000, -0.0031337300000000, -0.0167336200000000 ] - [ -0.0120993600000000, -0.0132908800000000, -0.0093881800000000 ] - [ -0.0001092700000000, -0.0002392300000000, -0.0003667100000000 ] - [ -0.0003528600000000, 0.0015805100000000, 0.0030282100000000 ] - [ 0.0030796300000000, 0.0006365600000000, 0.0027077800000000 ] - [ 0.0013210900000000, 0.0005204700000000, -0.0014658900000000 ] - [ 0.0002920800000000, 0.0002557700000000, -0.0014311700000000 ] - [ 0.0086876800000000, -0.0039998400000000, -0.0174397900000000 ] - [ -0.0014561100000000, -0.0000415600000000, -0.0000556500000000 ] - [ -0.0002882900000000, 0.0008827300000000, 0.0064236500000000 ] - [ 0.0006569500000000, 0.0001628900000000, 0.0004887300000000 ] - [ -0.0014027200000000, 0.0002536700000000, -0.0002281500000000 ] - [ 0.0050667200000000, 0.0044705200000000, -0.0072154400000000 ] - [ 0.0003719700000000, -0.0000185700000000, -0.0001347200000000 ] - [ -0.0062947600000000, 0.0065939000000000, -0.0022063700000000 ] - [ 0.0006758100000000, -0.0005729900000000, -0.0040941100000000 ] - [ 0.0003933300000000, -0.0001925500000000, -0.0005568300000000 ] - [ 0.0025532700000000, 0.0010075400000000, 0.0069657400000000 ] - [ 0.0002450700000000, 0.0012641700000000, 0.0070921400000000 ] - [ -0.0013709400000000, -0.0002326000000000, -0.0014353700000000 ] - [ -0.0002208400000000, 0.0003484200000000, -0.0005656700000000 ] - [ 0.0000454100000000, -0.0035300100000000, 0.0001749100000000 ] - [ -0.0007535600000000, -0.0005811000000000, 0.0000130500000000 ] - [ 0.0002658900000000, -0.0004224500000000, -0.0025817700000000 ] - [ 0.0005603400000000, -0.0001899500000000, -0.0022625600000000 ] - [ -0.0056110900000000, -0.0049782500000000, 0.0777368300000000 ] - [ 0.0001241100000000, 0.0002273200000000, 0.0003732100000000 ] - [ -0.0002062600000000, 0.0002851400000000, 0.0001962000000000 ] - [ 0.0006747900000000, -0.0004875100000000, -0.0011923000000000 ] - [ 0.0004243700000000, -0.0003033400000000, 0.0003900700000000 ] - [ -0.0006336300000000, -0.0021563600000000, 0.0011046400000000 ] - [ 0.0001264300000000, 0.0000930900000000, -0.0070896000000000 ] - [ -0.0000070900000000, -0.0002541200000000, -0.0009786800000000 ] - [ 0.0005566900000000, -0.0001122900000000, -0.0046537500000000 ] - [ -0.0014732500000000, -0.0006808600000000, -0.0040926600000000 ] - [ 0.0083236900000000, 0.0076568600000000, -0.0040713200000000 ] - [ -0.0003114100000000, 0.0002591400000000, 0.0009378800000000 ] - [ -0.0087417800000000, 0.0069475600000000, -0.0115561900000000 ] - [ 0.0012528300000000, 0.0002635400000000, 0.0000670100000000 ] - [ -0.0008332200000000, 0.0003416300000000, 0.0038038000000000 ] - [ 0.0009685300000000, -0.0006689300000000, 0.0030725600000000 ]- atom: 113 displacement: [ 0.0099999999796360, 0.0000000000000000, 0.0000006381853458 ] forces: - [ -0.0042400600000000, 0.0053715900000000, -0.0033581300000000 ] - [ -0.0047712400000000, -0.0027915300000000, 0.0019832000000000 ] - [ 0.0024083300000000, 0.0009214200000000, -0.0007872600000000 ] - [ -0.0022848600000000, -0.0006508700000000, 0.0009203500000000 ] - [ 0.0859398800000000, -0.0205783100000000, -0.0408260700000000 ] - [ -0.0056481800000000, 0.0001067000000000, 0.0000422900000000 ] - [ -0.0002255600000000, 0.0012707700000000, 0.0000655300000000 ] - [ -0.0009318300000000, -0.0005049500000000, -0.0008177900000000 ] - [ 0.0038108400000000, 0.0005891500000000, 0.0010423700000000 ] - [ -0.0018037100000000, 0.0002715800000000, -0.0000506900000000 ] - [ 0.0438213400000000, 0.0150041800000000, 0.0187440200000000 ] - [ -0.0047939400000000, 0.0005014400000000, 0.0001288400000000 ] - [ 0.0019464900000000, -0.0017518700000000, 0.0005321900000000 ] - [ -0.0022925700000000, -0.0000321000000000, -0.0008933700000000 ] - [ 0.0247966100000000, -0.0013174800000000, 0.0042618900000000 ] - [ -0.0031500600000000, -0.0003214000000000, -0.0001283200000000 ] - [ 0.0018854800000000, -0.0003595300000000, 0.0009848100000000 ] - [ -0.0021412800000000, 0.0008703900000000, 0.0000581800000000 ] - [ -0.0012628300000000, -0.0006400900000000, -0.0003156500000000 ] - [ -0.0008813900000000, 0.0008288200000000, -0.0009298000000000 ] - [ -0.0026865700000000, -0.0030575100000000, -0.0005826400000000 ] - [ -0.0031178400000000, 0.0032569700000000, -0.0008761000000000 ] - [ -0.0006502000000000, -0.0065920500000000, -0.0070226600000000 ] - [ -0.0026991700000000, 0.0002826300000000, 0.0015976200000000 ] - [ 0.0020664900000000, 0.0000356100000000, 0.0023042300000000 ] - [ -0.0015505700000000, -0.0000695300000000, 0.0000386100000000 ] - [ -0.0022494300000000, -0.0005198900000000, -0.0041005200000000 ] - [ -0.0011441800000000, -0.0007271400000000, -0.0002643500000000 ] - [ 0.0072393000000000, 0.0010153900000000, 0.0003884400000000 ] - [ -0.0019250800000000, -0.0008132500000000, 0.0004782100000000 ] - [ 0.0003187800000000, 0.0001010700000000, -0.0000711000000000 ] - [ -0.0012622100000000, 0.0018200700000000, -0.0018414400000000 ] - [ 0.0008487000000000, -0.0080543900000000, 0.0000950600000000 ] - [ -0.0029179500000000, 0.0019220300000000, -0.0011043600000000 ] - [ -0.0032491800000000, -0.0035607400000000, 0.0024694000000000 ] - [ -0.0027677500000000, 0.0035990400000000, -0.0013593800000000 ] - [ -0.0017584100000000, -0.0019204500000000, -0.0008727400000000 ] - [ -0.0016363800000000, -0.0000302700000000, 0.0018537600000000 ] - [ 0.0018192800000000, -0.0018919500000000, 0.0006393800000000 ] - [ -0.0016441600000000, -0.0002441300000000, -0.0010202600000000 ] - [ 0.0044375600000000, -0.0008027400000000, -0.0005123900000000 ] - [ -0.0012569300000000, -0.0010289800000000, 0.0000467100000000 ] - [ 0.0009342500000000, 0.0001762200000000, -0.0002722800000000 ] - [ -0.0020895000000000, -0.0011187800000000, 0.0005776900000000 ] - [ 0.0006667500000000, 0.0105569000000000, 0.0018691300000000 ] - [ -0.0031869900000000, -0.0008184800000000, -0.0000384600000000 ] - [ 0.0180507000000000, 0.0034917300000000, -0.0035003500000000 ] - [ -0.0017430400000000, 0.0010307700000000, 0.0000837500000000 ] - [ -0.0098634200000000, 0.0040285800000000, 0.0022213700000000 ] - [ -0.0085440200000000, -0.0037657700000000, -0.0011114400000000 ] - [ 0.0047004800000000, 0.0009969100000000, -0.0014997400000000 ] - [ -0.0042725300000000, -0.0009803100000000, -0.0003615400000000 ] - [ 0.0026430900000000, 0.0000834600000000, 0.0039599700000000 ] - [ -0.0037853900000000, 0.0000806700000000, -0.0007509700000000 ] - [ -0.0003233800000000, 0.0004625400000000, 0.0004447300000000 ] - [ -0.0003029300000000, 0.0000290800000000, 0.0004174300000000 ] - [ 0.0035495500000000, 0.0008604000000000, -0.0013926100000000 ] - [ -0.0020539900000000, -0.0012994700000000, 0.0004680300000000 ] - [ 0.0436822300000000, -0.0093762900000000, -0.0255917500000000 ] - [ -0.0043386600000000, -0.0001464200000000, 0.0001356300000000 ] - [ 0.0015073500000000, 0.0007032000000000, -0.0011752300000000 ] - [ -0.0016944100000000, 0.0002711200000000, 0.0006682200000000 ] - [ 0.0077472200000000, -0.0002266500000000, -0.0036939800000000 ] - [ -0.0021600000000000, 0.0011570900000000, 0.0004338300000000 ] - [ 0.0054918500000000, 0.0005627800000000, -0.0000593000000000 ] - [ -0.0018474900000000, 0.0008194600000000, 0.0004800900000000 ] - [ 0.0013548500000000, 0.0009041400000000, -0.0008670400000000 ] - [ -0.0021064400000000, 0.0004391100000000, -0.0003445300000000 ] - [ -0.0007350600000000, 0.0044074100000000, 0.0089556000000000 ] - [ -0.0028203900000000, -0.0009086100000000, -0.0020116300000000 ] - [ 0.0330618100000000, 0.0070571600000000, 0.0260318000000000 ] - [ -0.0036857200000000, -0.0003063100000000, 0.0001864800000000 ] - [ -0.0000749000000000, 0.0007577200000000, -0.0009289100000000 ] - [ 0.0022843200000000, -0.0009937900000000, 0.0000896400000000 ] - [ 0.0031315100000000, 0.0014687900000000, 0.0018765800000000 ] - [ 0.0005595300000000, 0.0000429700000000, -0.0002962800000000 ] - [ 0.0026373100000000, 0.0044108200000000, -0.0001807000000000 ] - [ -0.0001931300000000, -0.0051751600000000, 0.0029076000000000 ] - [ 0.0130646000000000, 0.0242875700000000, 0.0101117200000000 ] - [ 0.0079334400000000, -0.0007122000000000, -0.0018883900000000 ] - [ -0.0016865700000000, -0.0011587200000000, 0.0007303100000000 ] - [ 0.0006773600000000, 0.0007669700000000, -0.0006827600000000 ] - [ -0.0070608000000000, 0.0020255700000000, -0.0005716500000000 ] - [ 0.0045802800000000, -0.0002329800000000, 0.0003864300000000 ] - [ -0.0079835500000000, -0.0035563300000000, 0.0035973800000000 ] - [ 0.0049087700000000, 0.0001315400000000, 0.0001968500000000 ] - [ 0.0106629700000000, -0.0236371500000000, -0.0142435500000000 ] - [ 0.0061164600000000, 0.0007751500000000, 0.0016365900000000 ] - [ 0.0006837700000000, 0.0009295600000000, 0.0002221500000000 ] - [ 0.0009349200000000, -0.0005855200000000, -0.0003116400000000 ] - [ -0.0009922900000000, 0.0137399700000000, -0.0155288700000000 ] - [ 0.0039671200000000, 0.0000123100000000, 0.0008736600000000 ] - [ -0.0028377300000000, 0.0020200900000000, 0.0014946800000000 ] - [ 0.0018382000000000, -0.0007139900000000, -0.0004343000000000 ] - [ 0.0235133300000000, 0.0024102000000000, 0.0014892600000000 ] - [ 0.0196869000000000, -0.0006198600000000, 0.0002026900000000 ] - [ -0.0063791300000000, -0.0002130400000000, 0.0005876000000000 ] - [ 0.0037967000000000, 0.0005484000000000, 0.0003595300000000 ] - [ -0.0036188800000000, 0.0101229200000000, 0.0039285400000000 ] - [ 0.0030828300000000, -0.0002165900000000, -0.0008800400000000 ] - [ -0.0028961200000000, 0.0068439800000000, -0.0097381600000000 ] - [ 0.0031254000000000, -0.0007025800000000, 0.0009120600000000 ] - [ -0.0060519400000000, -0.0018950600000000, -0.0008286600000000 ] - [ 0.0038950200000000, -0.0003722900000000, 0.0004032100000000 ] - [ 0.0017460700000000, -0.0014309400000000, -0.0011679900000000 ] - [ 0.0015379000000000, 0.0010653200000000, 0.0008481300000000 ] - [ -0.0012868700000000, -0.0103875900000000, -0.0077058800000000 ] - [ 0.0033002400000000, 0.0008597800000000, 0.0010295900000000 ] - [ -0.0017365300000000, -0.0083668600000000, 0.0094139900000000 ] - [ 0.0035181100000000, 0.0001705600000000, -0.0005238600000000 ] - [ 0.0015451000000000, -0.0032850700000000, 0.0002113000000000 ] - [ 0.0018215900000000, 0.0018281300000000, -0.0015841800000000 ] - [ -0.2862374200000000, 0.0169742600000000, 0.0155003500000000 ] - [ 0.0076430800000000, -0.0005863600000000, -0.0004770600000000 ] - [ -0.0039976100000000, -0.0036293800000000, -0.0017471200000000 ] - [ 0.0044322500000000, 0.0005848100000000, 0.0019070300000000 ] - [ -0.0002179200000000, -0.0229745600000000, 0.0261816600000000 ] - [ 0.0067508000000000, -0.0000278900000000, -0.0007904800000000 ] - [ -0.0062101800000000, -0.0003186100000000, -0.0014593900000000 ] - [ 0.0038533500000000, 0.0003358400000000, -0.0003316600000000 ]- atom: 113 displacement: [ -0.0099999999796360, 0.0000000000000000, -0.0000006381853458 ] forces: - [ 0.0046433100000000, -0.0058859500000000, 0.0023949000000000 ] - [ 0.0051594700000000, 0.0022932800000000, -0.0029708900000000 ] - [ -0.0028043200000000, -0.0014132500000000, 0.0017965800000000 ] - [ 0.0018807500000000, 0.0001624200000000, 0.0000838500000000 ] - [ -0.0824884800000000, 0.0197076800000000, 0.0389409400000000 ] - [ 0.0052644100000000, 0.0003858400000000, 0.0009731200000000 ] - [ 0.0006242300000000, -0.0007823600000000, -0.0010750300000000 ] - [ 0.0013425600000000, 0.0009942900000000, -0.0001912400000000 ] - [ -0.0031726700000000, 0.0000129800000000, -0.0004558300000000 ] - [ 0.0024423700000000, 0.0003328100000000, 0.0006354800000000 ] - [ -0.0462306800000000, -0.0151887400000000, -0.0211350200000000 ] - [ 0.0041528300000000, 0.0001063700000000, -0.0007076700000000 ] - [ -0.0025928100000000, 0.0011459700000000, -0.0011147900000000 ] - [ 0.0016591400000000, -0.0005728500000000, 0.0003052800000000 ] - [ -0.0241045500000000, 0.0004936500000000, -0.0035628500000000 ] - [ 0.0037894300000000, -0.0002851400000000, 0.0007137200000000 ] - [ -0.0021045200000000, 0.0008723700000000, 0.0000329200000000 ] - [ 0.0019082100000000, -0.0003593600000000, 0.0009611000000000 ] - [ 0.0014920200000000, 0.0011543800000000, -0.0007045500000000 ] - [ 0.0011248000000000, -0.0003137400000000, -0.0000870900000000 ] - [ 0.0029249700000000, 0.0025596500000000, -0.0004271800000000 ] - [ 0.0033538100000000, -0.0037628500000000, -0.0001317000000000 ] - [ 0.0004210100000000, 0.0060976600000000, 0.0080496100000000 ] - [ 0.0024650200000000, -0.0007990300000000, -0.0005847600000000 ] - [ -0.0021077000000000, -0.0010124500000000, -0.0008867200000000 ] - [ 0.0015050300000000, -0.0009058300000000, 0.0013815400000000 ] - [ 0.0022833100000000, -0.0004499200000000, 0.0026765900000000 ] - [ 0.0011975000000000, -0.0002425000000000, -0.0011493300000000 ] - [ -0.0064568600000000, -0.0024437800000000, 0.0009225000000000 ] - [ 0.0026942400000000, -0.0005914800000000, 0.0008604300000000 ] - [ -0.0002832500000000, 0.0008816200000000, -0.0013529000000000 ] - [ 0.0013138700000000, -0.0008422600000000, 0.0004220100000000 ] - [ -0.0006685600000000, 0.0091435000000000, -0.0014637600000000 ] - [ 0.0030830100000000, -0.0008202300000000, -0.0002585800000000 ] - [ 0.0030965600000000, 0.0046897300000000, -0.0011272500000000 ] - [ 0.0025953000000000, -0.0024770700000000, 0.0027088200000000 ] - [ 0.0015839700000000, 0.0008136200000000, 0.0022295000000000 ] - [ 0.0014787100000000, -0.0010748900000000, -0.0004933800000000 ] - [ -0.0016462000000000, 0.0007846700000000, -0.0019975900000000 ] - [ 0.0018084500000000, -0.0008612900000000, -0.0003393200000000 ] - [ -0.0032572800000000, -0.0006100600000000, 0.0004080400000000 ] - [ 0.0024377900000000, -0.0003792100000000, -0.0001499300000000 ] - [ -0.0021260200000000, -0.0015796000000000, 0.0003672300000000 ] - [ 0.0009121600000000, -0.0002928800000000, -0.0004692800000000 ] - [ -0.0018545100000000, -0.0091776600000000, -0.0017721700000000 ] - [ 0.0020086400000000, 0.0022239300000000, 0.0001416600000000 ] - [ -0.0168160000000000, -0.0019210700000000, 0.0032991300000000 ] - [ 0.0029239300000000, 0.0003808500000000, -0.0001894800000000 ] - [ 0.0101735000000000, -0.0043813500000000, -0.0013331500000000 ] - [ 0.0088743300000000, 0.0034115300000000, 0.0019981100000000 ] - [ -0.0049757400000000, -0.0013495700000000, 0.0005909400000000 ] - [ 0.0039599700000000, 0.0006354800000000, -0.0005451000000000 ] - [ -0.0029557900000000, 0.0002674900000000, -0.0048686000000000 ] - [ 0.0034611200000000, 0.0002713300000000, -0.0001533000000000 ] - [ 0.0006319800000000, -0.0001124800000000, 0.0004619300000000 ] - [ 0.0006308800000000, 0.0003199900000000, 0.0004885300000000 ] - [ -0.0030451500000000, -0.0021717300000000, 0.0012054300000000 ] - [ 0.0025629100000000, 0.0000315000000000, -0.0006651900000000 ] - [ -0.0460674900000000, 0.0089793200000000, 0.0277317800000000 ] - [ 0.0038306700000000, -0.0011270900000000, 0.0000550600000000 ] - [ -0.0020173000000000, 0.0005676500000000, 0.0013715900000000 ] - [ 0.0011905000000000, 0.0009989200000000, -0.0004718600000000 ] - [ -0.0072312200000000, 0.0014860200000000, 0.0034829300000000 ] - [ 0.0026678900000000, 0.0001140500000000, -0.0006262700000000 ] - [ -0.0047257200000000, 0.0008432600000000, 0.0013954000000000 ] - [ 0.0026150700000000, 0.0005870500000000, 0.0008560000000000 ] - [ -0.0021339400000000, 0.0005039600000000, -0.0004701300000000 ] - [ 0.0013434700000000, 0.0009658200000000, -0.0009898600000000 ] - [ -0.0000280700000000, -0.0058106500000000, -0.0102903700000000 ] - [ 0.0020564200000000, -0.0004995400000000, 0.0006719000000000 ] - [ -0.0321044000000000, -0.0054931500000000, -0.0231138600000000 ] - [ 0.0036437800000000, 0.0012785000000000, 0.0012285900000000 ] - [ 0.0011591700000000, -0.0009587600000000, -0.0003607100000000 ] - [ -0.0011827600000000, 0.0007959400000000, -0.0013886100000000 ] - [ -0.0042128900000000, -0.0016721200000000, -0.0005783800000000 ] - [ -0.0016626900000000, -0.0002482400000000, 0.0015937600000000 ] - [ -0.0037288200000000, -0.0042388800000000, 0.0014724800000000 ] - [ -0.0009142900000000, 0.0053498100000000, -0.0016159500000000 ] - [ -0.0119603500000000, -0.0240562600000000, -0.0112949700000000 ] - [ -0.0068452100000000, 0.0009222700000000, 0.0005996400000000 ] - [ 0.0000558700000000, 0.0011458700000000, -0.0008760500000000 ] - [ -0.0023294100000000, -0.0007732300000000, 0.0005306800000000 ] - [ 0.0087018800000000, -0.0020304900000000, 0.0007210700000000 ] - [ -0.0029316000000000, 0.0002223200000000, -0.0002401900000000 ] - [ 0.0095577500000000, 0.0036780100000000, -0.0034389000000000 ] - [ -0.0032651200000000, -0.0001267800000000, -0.0000494800000000 ] - [ -0.0123582800000000, 0.0236889700000000, 0.0141949400000000 ] - [ -0.0077577500000000, -0.0007589500000000, -0.0017801400000000 ] - [ 0.0002265500000000, -0.0005861900000000, -0.0003111300000000 ] - [ -0.0000390300000000, 0.0009301800000000, 0.0002217000000000 ] - [ 0.0000643300000000, -0.0133562700000000, 0.0155256500000000 ] - [ -0.0048716900000000, 0.0003331300000000, -0.0007909400000000 ] - [ 0.0019264900000000, -0.0023598600000000, -0.0014023200000000 ] - [ -0.0027371100000000, 0.0003698500000000, 0.0005287100000000 ] - [ -0.0228719700000000, -0.0027777800000000, -0.0016096500000000 ] - [ -0.0186333200000000, 0.0002568400000000, -0.0003258600000000 ] - [ 0.0074256300000000, 0.0010626300000000, -0.0001112000000000 ] - [ -0.0027529400000000, 0.0003060200000000, 0.0001171900000000 ] - [ 0.0025980100000000, -0.0092755000000000, -0.0044169400000000 ] - [ -0.0041295100000000, 0.0010682600000000, 0.0003979700000000 ] - [ 0.0018943100000000, -0.0077091900000000, 0.0092856900000000 ] - [ -0.0041686300000000, -0.0001506400000000, -0.0013810900000000 ] - [ 0.0070939500000000, 0.0010192100000000, 0.0012989900000000 ] - [ -0.0028520500000000, -0.0004796500000000, 0.0000735600000000 ] - [ -0.0017570100000000, 0.0019173300000000, 0.0004431700000000 ] - [ -0.0015647200000000, -0.0005801800000000, -0.0015762300000000 ] - [ 0.0013004800000000, 0.0108607100000000, 0.0084127000000000 ] - [ -0.0032786100000000, -0.0003785400000000, -0.0003112300000000 ] - [ 0.0017156900000000, 0.0078743900000000, -0.0086660000000000 ] - [ -0.0035011300000000, -0.0006549100000000, 0.0012595000000000 ] - [ -0.0015570900000000, 0.0028133600000000, -0.0009382200000000 ] - [ -0.0018432900000000, -0.0023029400000000, 0.0008557800000000 ] - [ 0.2843606100000000, -0.0164534000000000, -0.0156113100000000 ] - [ -0.0082274400000000, 0.0005053100000000, -0.0010037100000000 ] - [ 0.0046022100000000, 0.0035624900000000, 0.0032351400000000 ] - [ -0.0038568600000000, -0.0006675900000000, -0.0004166000000000 ] - [ 0.0008663700000000, 0.0231452700000000, -0.0248674100000000 ] - [ -0.0061705700000000, 0.0001086200000000, 0.0022607500000000 ] - [ 0.0056319800000000, 0.0004051000000000, -0.0000289500000000 ] - [ -0.0044332100000000, -0.0002536600000000, -0.0011540600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0049255300000000, 0.0035405200000000, 0.0007826800000000 ] - [ -0.0007133400000000, 0.0014392700000000, -0.0004514600000000 ] - [ 0.0005411500000000, -0.0015647300000000, 0.0020267200000000 ] - [ -0.0003072600000000, -0.0005648700000000, 0.0005780700000000 ] - [ -0.0191863000000000, 0.0261875500000000, 0.0126242400000000 ] - [ 0.0000291700000000, 0.0011024700000000, 0.0004940600000000 ] - [ 0.0004258400000000, -0.0013761000000000, -0.0006108100000000 ] - [ 0.0000780300000000, -0.0009095300000000, -0.0003248500000000 ] - [ 0.0000811600000000, -0.0022983600000000, 0.0007316900000000 ] - [ 0.0004297700000000, -0.0001188700000000, 0.0002796000000000 ] - [ 0.0103682100000000, 0.0302244100000000, 0.0050373200000000 ] - [ 0.0002592800000000, 0.0010175700000000, -0.0004191500000000 ] - [ -0.0016151500000000, -0.0019054000000000, 0.0019698600000000 ] - [ -0.0000017600000000, -0.0005979100000000, -0.0001223400000000 ] - [ 0.0026525600000000, 0.0508856600000000, -0.0126310800000000 ] - [ 0.0005641100000000, -0.0000054400000000, 0.0003074700000000 ] - [ -0.0024939000000000, -0.0034211800000000, 0.0019208300000000 ] - [ 0.0004594400000000, -0.0002078400000000, 0.0006775800000000 ] - [ -0.0005523800000000, 0.0008873300000000, -0.0001359000000000 ] - [ 0.0010058700000000, 0.0010123200000000, 0.0000371300000000 ] - [ -0.0018977100000000, -0.0008633400000000, -0.0005482800000000 ] - [ 0.0027911700000000, -0.0005178900000000, -0.0010794000000000 ] - [ -0.0012365500000000, -0.0023104300000000, -0.0026079300000000 ] - [ 0.0006794600000000, -0.0003860100000000, 0.0001922700000000 ] - [ 0.0004533800000000, -0.0029174800000000, 0.0006716400000000 ] - [ 0.0002880800000000, -0.0011248700000000, 0.0008933900000000 ] - [ -0.0003054500000000, 0.0015261800000000, -0.0015943200000000 ] - [ 0.0001433700000000, 0.0006162300000000, -0.0005194100000000 ] - [ 0.0021468300000000, -0.0132859600000000, -0.0053945900000000 ] - [ 0.0004090600000000, -0.0008593000000000, 0.0006692500000000 ] - [ -0.0008524000000000, -0.0017896700000000, -0.0004622700000000 ] - [ 0.0022261100000000, -0.0018726600000000, 0.0001439100000000 ] - [ -0.0036493900000000, -0.0056347600000000, -0.0034286200000000 ] - [ 0.0009975900000000, -0.0001680000000000, -0.0006600900000000 ] - [ -0.0025911500000000, 0.0019383000000000, 0.0012559900000000 ] - [ 0.0019823000000000, 0.0020996500000000, 0.0016855700000000 ] - [ -0.0012169600000000, -0.0002918800000000, -0.0005131600000000 ] - [ 0.0007937300000000, -0.0002797400000000, -0.0002406800000000 ] - [ -0.0008186700000000, -0.0015149600000000, -0.0003589000000000 ] - [ 0.0004989700000000, -0.0006756400000000, -0.0006669500000000 ] - [ 0.0005592800000000, 0.0001611000000000, -0.0019231900000000 ] - [ 0.0007260200000000, -0.0006275800000000, -0.0001822300000000 ] - [ 0.0018867900000000, -0.0049288000000000, 0.0040418700000000 ] - [ -0.0006444300000000, -0.0008048700000000, -0.0000635700000000 ] - [ 0.0013769400000000, -0.0057854800000000, -0.0032944100000000 ] - [ -0.0012415100000000, -0.0002010900000000, -0.0000610700000000 ] - [ 0.0047080200000000, 0.0250475300000000, -0.0127529300000000 ] - [ 0.0007035100000000, 0.0010590500000000, -0.0001172000000000 ] - [ 0.0046455200000000, -0.0013223500000000, 0.0002812600000000 ] - [ -0.0050856800000000, -0.0008431100000000, 0.0005847500000000 ] - [ 0.0100880900000000, -0.0063021800000000, 0.0009188000000000 ] - [ -0.0009953100000000, -0.0005696000000000, -0.0001917600000000 ] - [ -0.0006126700000000, 0.0017478000000000, -0.0014326200000000 ] - [ -0.0004188400000000, 0.0006917900000000, -0.0002968800000000 ] - [ 0.0011917200000000, -0.0009010100000000, 0.0006942100000000 ] - [ -0.0004661000000000, -0.0006015000000000, 0.0009053900000000 ] - [ -0.0015292700000000, -0.0139012700000000, 0.0028300600000000 ] - [ 0.0004308800000000, -0.0010405000000000, -0.0000280000000000 ] - [ -0.0094318900000000, 0.0156175600000000, 0.0078578400000000 ] - [ -0.0005840400000000, 0.0003994800000000, 0.0006110300000000 ] - [ -0.0009823900000000, -0.0020840100000000, 0.0005934500000000 ] - [ -0.0002231600000000, 0.0001776500000000, 0.0001823700000000 ] - [ -0.0006861900000000, 0.0070556200000000, 0.0043258300000000 ] - [ 0.0003869200000000, 0.0009940700000000, -0.0000094800000000 ] - [ 0.0001443200000000, 0.0038065300000000, 0.0025228000000000 ] - [ 0.0004125700000000, 0.0010117300000000, 0.0007602600000000 ] - [ 0.0005144500000000, -0.0036974900000000, -0.0001535900000000 ] - [ -0.0005673600000000, 0.0001978600000000, -0.0005484700000000 ] - [ 0.0006874400000000, -0.0017043400000000, -0.0041624400000000 ] - [ -0.0010611600000000, -0.0005236700000000, -0.0010431500000000 ] - [ 0.0063172300000000, 0.0178185200000000, 0.0101784600000000 ] - [ 0.0006768700000000, 0.0013580000000000, 0.0009248500000000 ] - [ 0.0010067900000000, 0.0035334500000000, -0.0026810000000000 ] - [ -0.0003314500000000, 0.0006200100000000, -0.0008350700000000 ] - [ -0.0002096600000000, -0.0016401900000000, 0.0009406400000000 ] - [ -0.0010334000000000, -0.0015995600000000, 0.0010530400000000 ] - [ 0.0022674200000000, 0.0019564500000000, -0.0000495300000000 ] - [ -0.0087477600000000, 0.0006715300000000, 0.0004830400000000 ] - [ 0.0133161900000000, 0.0114034600000000, 0.0096605000000000 ] - [ -0.0023789700000000, 0.0000099300000000, -0.0001875000000000 ] - [ -0.0021346600000000, 0.0058871000000000, -0.0005887400000000 ] - [ -0.0004351900000000, 0.0004785700000000, -0.0000740300000000 ] - [ 0.0023249900000000, -0.0047218200000000, 0.0001912700000000 ] - [ 0.0009163700000000, -0.0004224900000000, 0.0000196500000000 ] - [ -0.0106923500000000, 0.0455003700000000, -0.0005552000000000 ] - [ 0.0012194200000000, 0.0000540200000000, 0.0000586600000000 ] - [ -0.0118204300000000, 0.0103632700000000, 0.0098783000000000 ] - [ 0.0022686400000000, -0.0002519000000000, 0.0003042000000000 ] - [ 0.0011101200000000, 0.0012231000000000, -0.0002321900000000 ] - [ -0.0002084100000000, 0.0010027600000000, -0.0001876500000000 ] - [ 0.0123586200000000, -0.0046880000000000, -0.0086872000000000 ] - [ -0.0015259300000000, -0.0004726700000000, -0.0004754400000000 ] - [ -0.0014314900000000, 0.0051829200000000, -0.0003868700000000 ] - [ -0.0005759100000000, 0.0007096700000000, -0.0000744700000000 ] - [ 0.0014342300000000, -0.0066583900000000, -0.0021799300000000 ] - [ -0.0015140200000000, -0.0042352800000000, -0.0026516600000000 ] - [ 0.0011729000000000, 0.0007590000000000, 0.0005419000000000 ] - [ 0.0003153700000000, 0.0003401900000000, 0.0003718800000000 ] - [ 0.0062735700000000, 0.0057471000000000, 0.0070580600000000 ] - [ -0.0016251900000000, 0.0007261700000000, 0.0002113700000000 ] - [ 0.0062611300000000, -0.0081257000000000, -0.0061635000000000 ] - [ -0.0011869600000000, -0.0011922100000000, -0.0005095200000000 ] - [ 0.0011558200000000, 0.0195111500000000, 0.0023178700000000 ] - [ 0.0001778300000000, 0.0000335500000000, 0.0002021600000000 ] - [ -0.0015623200000000, 0.0003093000000000, -0.0003295400000000 ] - [ 0.0011709900000000, 0.0003906700000000, 0.0002975600000000 ] - [ -0.0062569500000000, 0.0039768400000000, 0.0078858800000000 ] - [ 0.0007528500000000, 0.0002638100000000, 0.0006788300000000 ] - [ -0.0073268100000000, -0.0066047400000000, -0.0067263100000000 ] - [ 0.0004993800000000, -0.0008261800000000, 0.0001522000000000 ] - [ -0.0023373900000000, 0.0025314900000000, -0.0001103100000000 ] - [ 0.0022995500000000, 0.0016356000000000, -0.0010278400000000 ] - [ 0.0166982600000000, -0.1817034800000000, 0.0041744300000000 ] - [ -0.0008362400000000, -0.0009585000000000, -0.0011013300000000 ] - [ 0.0038761100000000, 0.0084188300000000, -0.0005160800000000 ] - [ -0.0003311600000000, 0.0013871600000000, 0.0000588100000000 ] - [ -0.0227988000000000, -0.0195768800000000, -0.0199763300000000 ] - [ 0.0002204800000000, -0.0008415200000000, 0.0006117900000000 ] - [ 0.0000706800000000, 0.0030009200000000, -0.0020575300000000 ] - [ -0.0005846600000000, 0.0005710200000000, -0.0009485700000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045297400000000, -0.0040064500000000, -0.0017725600000000 ] - [ 0.0011121400000000, -0.0019149700000000, -0.0005520600000000 ] - [ -0.0009402600000000, 0.0010632100000000, -0.0010266600000000 ] - [ -0.0000901500000000, 0.0000713600000000, 0.0004249500000000 ] - [ 0.0187811800000000, -0.0254366800000000, -0.0116268400000000 ] - [ -0.0004318700000000, -0.0006134300000000, 0.0005059400000000 ] - [ -0.0000222300000000, 0.0018698800000000, -0.0003976000000000 ] - [ 0.0003145000000000, 0.0014032300000000, -0.0006807800000000 ] - [ 0.0005588100000000, 0.0029055800000000, -0.0001531900000000 ] - [ 0.0002069000000000, 0.0007237200000000, 0.0003060700000000 ] - [ -0.0110597200000000, -0.0294859000000000, -0.0056710300000000 ] - [ -0.0008924600000000, -0.0004136700000000, -0.0001691900000000 ] - [ 0.0009801900000000, 0.0012908200000000, -0.0025589800000000 ] - [ -0.0006368900000000, -0.0000097800000000, -0.0004649200000000 ] - [ -0.0023197100000000, -0.0487655500000000, 0.0113314900000000 ] - [ 0.0000749600000000, -0.0005955400000000, 0.0002773900000000 ] - [ 0.0022428500000000, 0.0039342200000000, -0.0008794300000000 ] - [ -0.0006943400000000, 0.0007139900000000, 0.0003413700000000 ] - [ 0.0007881800000000, -0.0003858800000000, -0.0008791500000000 ] - [ -0.0007671600000000, -0.0005109200000000, -0.0010555800000000 ] - [ 0.0021467000000000, 0.0003480700000000, -0.0004670500000000 ] - [ -0.0025656600000000, -0.0000035100000000, 0.0000693500000000 ] - [ 0.0010026600000000, 0.0018454800000000, 0.0036367700000000 ] - [ -0.0009206200000000, -0.0001169200000000, 0.0008270900000000 ] - [ -0.0005036100000000, 0.0019431700000000, 0.0007567500000000 ] - [ -0.0003344000000000, 0.0001466600000000, 0.0005229100000000 ] - [ 0.0003425400000000, -0.0025010600000000, 0.0001688000000000 ] - [ -0.0000941800000000, -0.0015919300000000, -0.0008979200000000 ] - [ -0.0014125500000000, 0.0120036700000000, 0.0067453500000000 ] - [ 0.0003505200000000, -0.0005451100000000, 0.0006616500000000 ] - [ 0.0009102900000000, 0.0027591400000000, -0.0009553200000000 ] - [ -0.0021940800000000, 0.0028482300000000, -0.0015631800000000 ] - [ 0.0037629000000000, 0.0067468100000000, 0.0020185300000000 ] - [ -0.0008379900000000, 0.0012810700000000, -0.0007019500000000 ] - [ 0.0024336000000000, -0.0008486300000000, 0.0000997500000000 ] - [ -0.0021518800000000, -0.0010155700000000, -0.0003274600000000 ] - [ 0.0010571300000000, -0.0008272500000000, 0.0018742700000000 ] - [ -0.0009587400000000, -0.0008341400000000, 0.0016013600000000 ] - [ 0.0009834900000000, 0.0004183800000000, -0.0009958500000000 ] - [ -0.0003355800000000, -0.0004273400000000, -0.0006903300000000 ] - [ 0.0006159800000000, -0.0015873600000000, 0.0018296400000000 ] - [ 0.0004483700000000, -0.0007853700000000, 0.0000802200000000 ] - [ -0.0030665600000000, 0.0035346900000000, -0.0039446700000000 ] - [ -0.0005331300000000, -0.0005994100000000, 0.0001667500000000 ] - [ -0.0025194900000000, 0.0072056600000000, 0.0033619000000000 ] - [ 0.0000671000000000, 0.0016172300000000, 0.0001637000000000 ] - [ -0.0037005700000000, -0.0256155700000000, 0.0141856000000000 ] - [ 0.0004730700000000, 0.0003461700000000, 0.0000154500000000 ] - [ -0.0043655800000000, 0.0010028100000000, 0.0006214000000000 ] - [ 0.0054313600000000, 0.0005243700000000, 0.0003146300000000 ] - [ -0.0104580300000000, 0.0059681500000000, -0.0018484500000000 ] - [ 0.0006819000000000, 0.0002178800000000, -0.0007104900000000 ] - [ 0.0002967400000000, -0.0014026400000000, 0.0005237200000000 ] - [ 0.0000975800000000, -0.0003437100000000, -0.0006039700000000 ] - [ -0.0008677200000000, 0.0012526300000000, 0.0002116300000000 ] - [ 0.0007767300000000, 0.0009518500000000, 0.0000008200000000 ] - [ 0.0020478200000000, 0.0126156500000000, -0.0030750400000000 ] - [ 0.0000717900000000, -0.0002325200000000, -0.0001667300000000 ] - [ 0.0088923400000000, -0.0170110600000000, -0.0076294700000000 ] - [ 0.0000838000000000, -0.0016717200000000, -0.0004128900000000 ] - [ 0.0004808100000000, 0.0033585700000000, -0.0003898700000000 ] - [ -0.0002839500000000, 0.0010936500000000, 0.0000139300000000 ] - [ 0.0012026400000000, -0.0057659200000000, -0.0045274100000000 ] - [ 0.0001175400000000, 0.0002795400000000, -0.0001863200000000 ] - [ 0.0006137700000000, -0.0024130700000000, -0.0011887200000000 ] - [ 0.0003460600000000, 0.0003899100000000, 0.0005712900000000 ] - [ -0.0012566900000000, 0.0051125300000000, -0.0011556500000000 ] - [ -0.0001954500000000, 0.0012048100000000, -0.0007781900000000 ] - [ -0.0014510600000000, 0.0003329100000000, 0.0028632100000000 ] - [ 0.0003041700000000, -0.0008777100000000, -0.0002847900000000 ] - [ -0.0063065700000000, -0.0169537300000000, -0.0086816500000000 ] - [ -0.0007273900000000, -0.0003817600000000, 0.0004919000000000 ] - [ 0.0000882100000000, -0.0037528900000000, 0.0013685800000000 ] - [ 0.0014129200000000, -0.0008302400000000, -0.0004572500000000 ] - [ -0.0008697600000000, 0.0014439200000000, 0.0003517200000000 ] - [ -0.0000612100000000, 0.0013978900000000, 0.0002415200000000 ] - [ -0.0033682200000000, -0.0017393700000000, 0.0013448100000000 ] - [ 0.0077159800000000, -0.0004396400000000, 0.0007998200000000 ] - [ -0.0121763800000000, -0.0113330600000000, -0.0108596400000000 ] - [ 0.0034800600000000, 0.0001928200000000, -0.0011052000000000 ] - [ 0.0004908600000000, -0.0059144600000000, 0.0004286300000000 ] - [ -0.0011993200000000, -0.0004930300000000, -0.0000682400000000 ] - [ -0.0006797700000000, 0.0047266700000000, -0.0000450500000000 ] - [ 0.0007257200000000, 0.0004143900000000, 0.0001196500000000 ] - [ 0.0123722000000000, -0.0458469000000000, 0.0009951300000000 ] - [ 0.0004187800000000, -0.0000397800000000, 0.0000805600000000 ] - [ 0.0101417100000000, -0.0104825000000000, -0.0099797600000000 ] - [ -0.0039182600000000, 0.0002567900000000, -0.0004478700000000 ] - [ -0.0002129200000000, -0.0008733500000000, 0.0001388000000000 ] - [ 0.0011145100000000, -0.0006534500000000, 0.0000953200000000 ] - [ -0.0132425800000000, 0.0049677300000000, 0.0087569500000000 ] - [ 0.0006242500000000, 0.0008143100000000, 0.0005684000000000 ] - [ 0.0005355500000000, -0.0055321300000000, 0.0005054000000000 ] - [ -0.0003281200000000, -0.0010580300000000, 0.0001687300000000 ] - [ -0.0004718300000000, 0.0063288800000000, 0.0020942800000000 ] - [ 0.0023684300000000, 0.0038989000000000, 0.0025581600000000 ] - [ -0.0001333900000000, 0.0000813500000000, -0.0000696800000000 ] - [ 0.0007282400000000, 0.0005117100000000, 0.0001037500000000 ] - [ -0.0073942000000000, -0.0048806100000000, -0.0076076700000000 ] - [ 0.0005842500000000, 0.0001323100000000, -0.0006886300000000 ] - [ -0.0073028300000000, 0.0073169300000000, 0.0056815400000000 ] - [ 0.0001441000000000, 0.0003412100000000, 0.0000331600000000 ] - [ -0.0001276000000000, -0.0202934600000000, -0.0018800800000000 ] - [ 0.0008664200000000, -0.0008903800000000, 0.0002755500000000 ] - [ 0.0015474400000000, 0.0001664200000000, -0.0004006700000000 ] - [ -0.0011913200000000, 0.0000876800000000, -0.0010279600000000 ] - [ 0.0063423000000000, -0.0034521800000000, -0.0072112700000000 ] - [ -0.0007354700000000, 0.0002255300000000, 0.0000474500000000 ] - [ 0.0073505300000000, 0.0061661700000000, 0.0074599000000000 ] - [ -0.0004801100000000, 0.0003452200000000, 0.0005768200000000 ] - [ 0.0023008700000000, -0.0030228100000000, -0.0006152400000000 ] - [ -0.0022946400000000, -0.0021295100000000, 0.0002958200000000 ] - [ -0.0167249000000000, 0.1810156200000000, -0.0055035100000000 ] - [ 0.0002564000000000, 0.0008770500000000, -0.0003836100000000 ] - [ -0.0033166900000000, -0.0084953100000000, 0.0020320300000000 ] - [ 0.0009200700000000, -0.0014743600000000, 0.0014318600000000 ] - [ 0.0233172700000000, 0.0195602100000000, 0.0213774000000000 ] - [ 0.0003559200000000, 0.0009196200000000, 0.0008764900000000 ] - [ -0.0006523500000000, -0.0029093700000000, 0.0005665400000000 ] - [ 0.0000058000000000, -0.0004864800000000, -0.0005376600000000 ]- atom: 113 displacement: [ -0.0002086347959451, 0.0000000000000000, 0.0099978233392034 ] forces: - [ -0.0073024200000000, 0.0033744500000000, 0.0027051700000000 ] - [ 0.0036166200000000, 0.0015046700000000, 0.0006813000000000 ] - [ 0.0000706200000000, 0.0012855500000000, -0.0028951000000000 ] - [ -0.0001160900000000, -0.0002926400000000, -0.0000658600000000 ] - [ -0.0395731200000000, 0.0128458700000000, 0.0449217300000000 ] - [ -0.0009430500000000, -0.0000192000000000, 0.0013350200000000 ] - [ 0.0013265000000000, -0.0002426300000000, -0.0018985800000000 ] - [ -0.0008465900000000, -0.0003906700000000, -0.0012370500000000 ] - [ 0.0003369300000000, 0.0000059100000000, -0.0020036400000000 ] - [ 0.0000429700000000, 0.0001366200000000, -0.0002509000000000 ] - [ 0.0168966400000000, 0.0094571000000000, 0.0325911900000000 ] - [ 0.0004407700000000, 0.0001205000000000, 0.0000352800000000 ] - [ 0.0000736200000000, 0.0014986500000000, -0.0031774700000000 ] - [ -0.0007065100000000, -0.0004275600000000, -0.0007612900000000 ] - [ 0.0013812300000000, -0.0142422800000000, 0.0263265100000000 ] - [ 0.0005007800000000, -0.0001255700000000, 0.0010132700000000 ] - [ 0.0018904100000000, 0.0024553100000000, 0.0009348000000000 ] - [ -0.0008393100000000, 0.0007767400000000, 0.0007567700000000 ] - [ 0.0015613700000000, 0.0000031500000000, -0.0041595200000000 ] - [ -0.0010946000000000, 0.0002099500000000, -0.0040866000000000 ] - [ -0.0018664000000000, -0.0018953300000000, 0.0029024800000000 ] - [ 0.0021453200000000, -0.0027654000000000, 0.0025582400000000 ] - [ -0.0025015500000000, -0.0056730200000000, -0.0063759100000000 ] - [ 0.0008647500000000, -0.0005043700000000, -0.0005440300000000 ] - [ -0.0002533000000000, -0.0007838600000000, -0.0011488900000000 ] - [ -0.0005568000000000, -0.0003058200000000, 0.0001699100000000 ] - [ -0.0032320600000000, -0.0008329900000000, -0.0052529100000000 ] - [ 0.0008034000000000, -0.0004576800000000, -0.0020630500000000 ] - [ -0.0004318800000000, -0.0020745900000000, 0.0106396000000000 ] - [ 0.0003496900000000, -0.0008999000000000, 0.0014167000000000 ] - [ 0.0016214100000000, 0.0000993100000000, 0.0009545800000000 ] - [ -0.0010753800000000, 0.0004494900000000, 0.0001246300000000 ] - [ -0.0012423100000000, -0.0074640000000000, 0.0031711400000000 ] - [ 0.0011554100000000, -0.0003976200000000, 0.0003422300000000 ] - [ 0.0038043600000000, 0.0025477600000000, 0.0028537700000000 ] - [ -0.0025461100000000, 0.0014054300000000, 0.0029165100000000 ] - [ -0.0020680200000000, -0.0015992400000000, -0.0020209300000000 ] - [ 0.0013133700000000, -0.0009179400000000, -0.0010888100000000 ] - [ 0.0007586300000000, 0.0012553600000000, -0.0041970500000000 ] - [ -0.0002787100000000, -0.0004379400000000, -0.0015839500000000 ] - [ 0.0011701400000000, -0.0032005500000000, -0.0056735700000000 ] - [ 0.0004189500000000, -0.0009368700000000, -0.0005668500000000 ] - [ -0.0018954600000000, 0.0024688900000000, -0.0035326800000000 ] - [ -0.0004520300000000, -0.0004090500000000, -0.0005992600000000 ] - [ 0.0008642700000000, -0.0067644800000000, 0.0005936600000000 ] - [ -0.0020467300000000, -0.0002501400000000, 0.0003929300000000 ] - [ -0.0031766800000000, -0.0112931100000000, 0.0299213300000000 ] - [ 0.0005266800000000, 0.0006517300000000, 0.0005297700000000 ] - [ 0.0109669400000000, -0.0036550900000000, 0.0007780400000000 ] - [ -0.0113534100000000, -0.0037141600000000, 0.0010115800000000 ] - [ -0.0062428000000000, 0.0028973100000000, 0.0023475000000000 ] - [ 0.0006394500000000, 0.0000631100000000, 0.0005506500000000 ] - [ 0.0020193700000000, -0.0010937300000000, -0.0049254300000000 ] - [ -0.0015483600000000, -0.0001572800000000, -0.0013450400000000 ] - [ -0.0012513800000000, 0.0005899700000000, -0.0002957400000000 ] - [ 0.0012471300000000, 0.0003592500000000, -0.0001897200000000 ] - [ -0.0001172100000000, 0.0053359200000000, 0.0016067200000000 ] - [ 0.0000596200000000, -0.0009538500000000, 0.0002397500000000 ] - [ -0.0287240900000000, 0.0081144700000000, 0.0368145300000000 ] - [ -0.0012033300000000, 0.0006445500000000, 0.0016452400000000 ] - [ 0.0001452200000000, 0.0008401000000000, -0.0022352500000000 ] - [ -0.0000953900000000, 0.0006984900000000, -0.0003865600000000 ] - [ 0.0025090700000000, -0.0006820600000000, -0.0112665200000000 ] - [ 0.0000871300000000, 0.0006047100000000, -0.0005729600000000 ] - [ 0.0006030500000000, 0.0004062200000000, -0.0095757200000000 ] - [ 0.0001755700000000, 0.0007037900000000, -0.0002064100000000 ] - [ -0.0014609400000000, 0.0021182000000000, -0.0002453900000000 ] - [ -0.0002465900000000, 0.0006986300000000, -0.0002407400000000 ] - [ 0.0022514700000000, -0.0044518500000000, -0.0081992600000000 ] - [ -0.0016775800000000, -0.0006469900000000, -0.0017476300000000 ] - [ 0.0249730700000000, 0.0103402700000000, 0.0463126600000000 ] - [ 0.0011431600000000, 0.0012724300000000, 0.0015989100000000 ] - [ -0.0008009000000000, -0.0014020400000000, 0.0009402100000000 ] - [ 0.0017075200000000, -0.0002455100000000, -0.0001204700000000 ] - [ 0.0019218200000000, 0.0020333400000000, 0.0057783000000000 ] - [ -0.0033948600000000, 0.0006440500000000, 0.0051937500000000 ] - [ -0.0022689100000000, -0.0008022500000000, -0.0046104600000000 ] - [ 0.0025596200000000, 0.0013408800000000, -0.0049818800000000 ] - [ 0.0172541100000000, 0.0249111600000000, 0.0070104200000000 ] - [ -0.0040003100000000, 0.0004673800000000, -0.0003843900000000 ] - [ 0.0009342000000000, -0.0029388600000000, 0.0011386000000000 ] - [ -0.0014721400000000, -0.0002848200000000, 0.0000584000000000 ] - [ -0.0012264100000000, 0.0046882000000000, 0.0138744700000000 ] - [ 0.0016421300000000, 0.0002203300000000, 0.0013205400000000 ] - [ 0.0087107900000000, -0.0186500900000000, -0.0172842600000000 ] - [ 0.0006246400000000, 0.0003578300000000, -0.0010130300000000 ] - [ -0.0163675800000000, 0.0208687400000000, 0.0118123500000000 ] - [ 0.0045325000000000, -0.0005431000000000, 0.0005319600000000 ] - [ 0.0002302200000000, 0.0005758000000000, 0.0022211100000000 ] - [ 0.0007560000000000, 0.0003204800000000, 0.0016738500000000 ] - [ -0.0154467700000000, -0.0117020200000000, 0.0134681100000000 ] - [ 0.0018479700000000, 0.0001035400000000, 0.0005551100000000 ] - [ 0.0003723600000000, 0.0012281800000000, 0.0016570100000000 ] - [ -0.0009539200000000, 0.0002067800000000, 0.0002329700000000 ] - [ 0.0007625900000000, -0.0016784500000000, -0.0129583800000000 ] - [ -0.0017401500000000, -0.0023485000000000, -0.0088293800000000 ] - [ -0.0000229700000000, 0.0005899700000000, 0.0080689900000000 ] - [ 0.0007909300000000, 0.0003556400000000, 0.0013609900000000 ] - [ 0.0019900500000000, 0.0106660700000000, 0.0022460500000000 ] - [ -0.0012843200000000, 0.0008258100000000, -0.0002100200000000 ] - [ -0.0098052100000000, -0.0071618200000000, 0.0137208700000000 ] - [ 0.0005479600000000, -0.0006978700000000, 0.0001703200000000 ] - [ -0.0009625700000000, -0.0057296000000000, -0.0084958500000000 ] - [ 0.0006944700000000, -0.0005071800000000, -0.0008746300000000 ] - [ -0.0005889100000000, 0.0000752800000000, 0.0035547600000000 ] - [ 0.0009039300000000, 0.0003923500000000, 0.0029788000000000 ] - [ -0.0042226800000000, 0.0095945500000000, 0.0052794200000000 ] - [ 0.0012764600000000, 0.0006260100000000, 0.0001869400000000 ] - [ 0.0091109200000000, -0.0090396700000000, 0.0127045400000000 ] - [ -0.0009879600000000, -0.0004793000000000, 0.0010368000000000 ] - [ 0.0003152000000000, -0.0011350600000000, -0.0049239900000000 ] - [ 0.0005966000000000, -0.0001182200000000, -0.0041467600000000 ] - [ 0.0211629600000000, 0.0040886300000000, -0.2585729200000000 ] - [ -0.0001903000000000, -0.0003890900000000, -0.0032125900000000 ] - [ -0.0021109400000000, 0.0013105300000000, 0.0036793000000000 ] - [ 0.0013665200000000, 0.0006322800000000, 0.0011584000000000 ] - [ 0.0256642900000000, -0.0200469000000000, 0.0315107000000000 ] - [ -0.0013691800000000, -0.0000909200000000, 0.0015787600000000 ] - [ -0.0008841400000000, 0.0013471600000000, 0.0061342500000000 ] - [ 0.0000354500000000, 0.0002399400000000, 0.0007041200000000 ]- atom: 113 displacement: [ 0.0002086347959451, 0.0000000000000000, -0.0099978233392034 ] forces: - [ 0.0076987300000000, -0.0038545100000000, -0.0037168600000000 ] - [ -0.0032080300000000, -0.0019877700000000, -0.0017011600000000 ] - [ -0.0004847000000000, -0.0017612600000000, 0.0039078300000000 ] - [ -0.0002951600000000, -0.0001960600000000, 0.0010779200000000 ] - [ 0.0408408900000000, -0.0128496200000000, -0.0444760600000000 ] - [ 0.0005261800000000, 0.0005072300000000, -0.0003250400000000 ] - [ -0.0009114200000000, 0.0007315200000000, 0.0008874600000000 ] - [ 0.0012533200000000, 0.0008781400000000, 0.0002276900000000 ] - [ 0.0003022100000000, 0.0005986100000000, 0.0025915600000000 ] - [ 0.0005920200000000, 0.0004710500000000, 0.0008346500000000 ] - [ -0.0189701100000000, -0.0093710600000000, -0.0341670100000000 ] - [ -0.0010715900000000, 0.0004919100000000, -0.0006222200000000 ] - [ -0.0007047100000000, -0.0020976300000000, 0.0025998100000000 ] - [ 0.0000711800000000, -0.0001841500000000, 0.0001776600000000 ] - [ -0.0008676900000000, 0.0146683300000000, -0.0262499900000000 ] - [ 0.0001352700000000, -0.0004805100000000, -0.0004296200000000 ] - [ -0.0021150000000000, -0.0019340500000000, 0.0000719900000000 ] - [ 0.0006073500000000, -0.0002538700000000, 0.0002558700000000 ] - [ -0.0013202100000000, 0.0005206000000000, 0.0031401100000000 ] - [ 0.0013119000000000, 0.0003134000000000, 0.0030699400000000 ] - [ 0.0020943900000000, 0.0013698700000000, -0.0039126700000000 ] - [ -0.0019094200000000, 0.0022346000000000, -0.0035686400000000 ] - [ 0.0022530500000000, 0.0051568700000000, 0.0074003400000000 ] - [ -0.0010951800000000, -0.0000170900000000, 0.0015604100000000 ] - [ 0.0002099300000000, -0.0001895800000000, 0.0025640400000000 ] - [ 0.0005163200000000, -0.0006711400000000, 0.0012499300000000 ] - [ 0.0032791500000000, -0.0001384200000000, 0.0038172200000000 ] - [ -0.0007708300000000, -0.0005208500000000, 0.0006348900000000 ] - [ 0.0012007900000000, 0.0006660900000000, -0.0093200500000000 ] - [ 0.0004221800000000, -0.0005111800000000, -0.0000728300000000 ] - [ -0.0015807100000000, 0.0008747600000000, -0.0023725100000000 ] - [ 0.0011180100000000, 0.0005227700000000, -0.0015427800000000 ] - [ 0.0014081800000000, 0.0085461900000000, -0.0045215500000000 ] - [ -0.0009895500000000, 0.0015001300000000, -0.0017042400000000 ] - [ -0.0039663500000000, -0.0014459000000000, -0.0014793900000000 ] - [ 0.0023728300000000, -0.0003062700000000, -0.0015434300000000 ] - [ 0.0018978500000000, 0.0004963700000000, 0.0033718100000000 ] - [ -0.0014880400000000, -0.0001780800000000, 0.0024418700000000 ] - [ -0.0005921200000000, -0.0023671100000000, 0.0028318300000000 ] - [ 0.0004489700000000, -0.0006612400000000, 0.0002191900000000 ] - [ 0.0000151300000000, 0.0018286000000000, 0.0055770900000000 ] - [ 0.0007649100000000, -0.0004698000000000, 0.0004600900000000 ] - [ 0.0007124600000000, -0.0038795600000000, 0.0036181500000000 ] - [ -0.0007343300000000, -0.0009951500000000, 0.0007040800000000 ] - [ -0.0020429900000000, 0.0081566500000000, -0.0004790500000000 ] - [ 0.0008619100000000, 0.0016556500000000, -0.0002843200000000 ] - [ 0.0042739100000000, 0.0116340700000000, -0.0293870600000000 ] - [ 0.0006573300000000, 0.0007530200000000, -0.0006329900000000 ] - [ -0.0106576800000000, 0.0033139400000000, 0.0001323500000000 ] - [ 0.0116647900000000, 0.0033636100000000, -0.0001093300000000 ] - [ 0.0059256100000000, -0.0032536500000000, -0.0032489100000000 ] - [ -0.0009601200000000, -0.0004163700000000, -0.0014588500000000 ] - [ -0.0023737800000000, 0.0014532300000000, 0.0040120900000000 ] - [ 0.0012305200000000, 0.0005121300000000, 0.0004326900000000 ] - [ 0.0015739800000000, -0.0002349500000000, 0.0012014600000000 ] - [ -0.0009309000000000, -0.0000066000000000, 0.0010957800000000 ] - [ 0.0006280800000000, -0.0066276100000000, -0.0018019700000000 ] - [ 0.0004520300000000, -0.0003133800000000, -0.0004363700000000 ] - [ 0.0265966100000000, -0.0087590600000000, -0.0355846000000000 ] - [ 0.0006921300000000, -0.0019091200000000, -0.0014432500000000 ] - [ -0.0006517700000000, 0.0004321000000000, 0.0024259200000000 ] - [ -0.0004185500000000, 0.0005688400000000, 0.0005825700000000 ] - [ -0.0019711500000000, 0.0019250600000000, 0.0111100400000000 ] - [ 0.0004237400000000, 0.0006632000000000, 0.0003739900000000 ] - [ 0.0001629200000000, 0.0010199800000000, 0.0108866000000000 ] - [ 0.0005966500000000, 0.0007061800000000, 0.0015516600000000 ] - [ 0.0006845200000000, -0.0007025800000000, -0.0011036900000000 ] - [ -0.0005256600000000, 0.0007113000000000, -0.0011022900000000 ] - [ -0.0030007100000000, 0.0030387500000000, 0.0068754300000000 ] - [ 0.0009033500000000, -0.0007633100000000, 0.0004072500000000 ] - [ -0.0232310500000000, -0.0085530500000000, -0.0432157200000000 ] - [ -0.0011846100000000, -0.0002947300000000, -0.0001751800000000 ] - [ 0.0019033500000000, 0.0012065600000000, -0.0022210900000000 ] - [ -0.0006083500000000, 0.0000459600000000, -0.0011713500000000 ] - [ -0.0030240200000000, -0.0022372700000000, -0.0044711200000000 ] - [ 0.0023221400000000, -0.0008478300000000, -0.0038905700000000 ] - [ 0.0011739800000000, 0.0010006900000000, 0.0058944100000000 ] - [ -0.0036642900000000, -0.0011361300000000, 0.0062625200000000 ] - [ -0.0160559900000000, -0.0246765600000000, -0.0082643300000000 ] - [ 0.0051012600000000, -0.0002687900000000, -0.0009157400000000 ] - [ -0.0025851000000000, 0.0029285800000000, -0.0012758300000000 ] - [ -0.0001754300000000, 0.0002766100000000, -0.0002086200000000 ] - [ 0.0029087500000000, -0.0047378900000000, -0.0137400000000000 ] - [ 0.0000080900000000, -0.0002273200000000, -0.0011697000000000 ] - [ -0.0070757400000000, 0.0187340800000000, 0.0174388300000000 ] - [ 0.0010263900000000, -0.0003501700000000, 0.0011629800000000 ] - [ 0.0146133700000000, -0.0208408400000000, -0.0119533100000000 ] - [ -0.0061773500000000, 0.0005489000000000, -0.0006894000000000 ] - [ 0.0006680900000000, -0.0002358600000000, -0.0023101400000000 ] - [ 0.0001518700000000, 0.0000187700000000, -0.0017634900000000 ] - [ 0.0146976900000000, 0.0121622300000000, -0.0134312300000000 ] - [ -0.0027478100000000, 0.0002373500000000, -0.0004599900000000 ] - [ -0.0012745900000000, -0.0015659000000000, -0.0015708200000000 ] - [ 0.0000517300000000, -0.0005489400000000, -0.0001437800000000 ] - [ 0.0001933800000000, 0.0013381600000000, 0.0128574400000000 ] - [ 0.0026169300000000, 0.0020023800000000, 0.0087263400000000 ] - [ 0.0010668600000000, 0.0002908400000000, -0.0075907300000000 ] - [ 0.0002545800000000, 0.0004975900000000, -0.0008836500000000 ] - [ -0.0030646100000000, -0.0098231800000000, -0.0027062400000000 ] - [ 0.0002398700000000, 0.0000294400000000, -0.0002628200000000 ] - [ 0.0086651900000000, 0.0062546000000000, -0.0141368000000000 ] - [ -0.0015877700000000, -0.0001555700000000, -0.0006526800000000 ] - [ 0.0020007200000000, 0.0048497700000000, 0.0089657200000000 ] - [ 0.0003505900000000, -0.0003463300000000, 0.0013517200000000 ] - [ 0.0005635300000000, 0.0004148100000000, -0.0042804500000000 ] - [ -0.0009166900000000, 0.0000967500000000, -0.0037070800000000 ] - [ 0.0042865000000000, -0.0091303400000000, -0.0045324800000000 ] - [ -0.0012547100000000, -0.0001379300000000, 0.0005442100000000 ] - [ -0.0090099000000000, 0.0084886500000000, -0.0119303500000000 ] - [ 0.0010046300000000, -0.0000062700000000, -0.0003121300000000 ] - [ -0.0003309400000000, 0.0006443100000000, 0.0041926700000000 ] - [ -0.0006146700000000, -0.0003706900000000, 0.0034160500000000 ] - [ -0.0218199800000000, -0.0048176500000000, 0.2558672100000000 ] - [ -0.0003878700000000, 0.0003058300000000, 0.0017219200000000 ] - [ 0.0026909200000000, -0.0013879300000000, -0.0022041500000000 ] - [ -0.0007834100000000, -0.0007143800000000, 0.0003248600000000 ] - [ -0.0253962000000000, 0.0203381400000000, -0.0301683000000000 ] - [ 0.0019511000000000, 0.0001715600000000, -0.0000832600000000 ] - [ 0.0003004500000000, -0.0012901300000000, -0.0076264100000000 ] - [ -0.0006137000000000, -0.0001571300000000, -0.0021904500000000 ]