# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0956ab5b-ca84-4347-bfc4-1e37a8c70077/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 Ho2(SO4)3 / Pbcn (60) / materials id 768800](https://mdr.nims.go.jp/datasets/deb7994f-fdac-4b4e-bd03-d92e002ce9d2) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.816021830000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.186244029999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.274683290000000 ] # c points: - symbol: Ho # 1 coordinates: [ 0.117033860000000, 0.249372580000000, 0.964322790000000 ] mass: 164.930320 - symbol: Ho # 2 coordinates: [ 0.117033860000000, 0.750627420000000, 0.464322790000000 ] mass: 164.930320 - symbol: Ho # 3 coordinates: [ 0.382966140000000, 0.250627420000000, 0.464322790000000 ] mass: 164.930320 - symbol: Ho # 4 coordinates: [ 0.382966140000000, 0.749372580000000, 0.964322790000000 ] mass: 164.930320 - symbol: Ho # 5 coordinates: [ 0.617033860000000, 0.250627420000000, 0.035677210000000 ] mass: 164.930320 - symbol: Ho # 6 coordinates: [ 0.617033860000000, 0.749372580000000, 0.535677210000000 ] mass: 164.930320 - symbol: Ho # 7 coordinates: [ 0.882966140000000, 0.249372580000000, 0.535677210000000 ] mass: 164.930320 - symbol: Ho # 8 coordinates: [ 0.882966140000000, 0.750627420000000, 0.035677210000000 ] mass: 164.930320 - symbol: S # 9 coordinates: [ 0.000000000000000, 0.032753530000000, 0.250000000000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.000000000000000, 0.967246470000000, 0.750000000000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.145106540000000, 0.392178680000000, 0.611264820000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.145106540000000, 0.607821320000000, 0.111264820000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.354893460000000, 0.107821320000000, 0.111264820000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.354893460000000, 0.892178680000000, 0.611264820000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.500000000000000, 0.467246470000000, 0.750000000000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.500000000000000, 0.532753530000000, 0.250000000000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.645106540000000, 0.107821320000000, 0.388735180000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.645106540000000, 0.892178680000000, 0.888735180000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.854893460000000, 0.392178680000000, 0.888735180000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.854893460000000, 0.607821320000000, 0.388735180000000 ] mass: 32.065000 - symbol: O # 21 coordinates: [ 0.041707720000000, 0.666785950000000, 0.073024920000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.041707720000000, 0.333214050000000, 0.573024920000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.058878100000000, 0.874134470000000, 0.649472640000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.058878100000000, 0.125865530000000, 0.149472640000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.074412760000000, 0.059307860000000, 0.830305700000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.074412760000000, 0.940692140000000, 0.330305700000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.145753900000000, 0.448469680000000, 0.091505240000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.145753900000000, 0.551530320000000, 0.591505240000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.169058850000000, 0.358586680000000, 0.763453380000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.169058850000000, 0.641413320000000, 0.263453380000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.224563140000000, 0.325782210000000, 0.516544670000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.224563140000000, 0.674217790000000, 0.016544670000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.275436860000000, 0.174217790000000, 0.016544670000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.275436860000000, 0.825782210000000, 0.516544670000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.330941150000000, 0.858586680000000, 0.763453380000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.330941150000000, 0.141413320000000, 0.263453380000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.354246100000000, 0.051530320000000, 0.591505240000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.354246100000000, 0.948469680000000, 0.091505240000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.425587240000000, 0.440692140000000, 0.330305700000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.425587240000000, 0.559307860000000, 0.830305700000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.441121900000000, 0.374134470000000, 0.649472640000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.441121900000000, 0.625865530000000, 0.149472640000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.458292280000000, 0.166785950000000, 0.073024920000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.458292280000000, 0.833214050000000, 0.573024920000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.541707720000000, 0.166785950000000, 0.426975080000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.541707720000000, 0.833214050000000, 0.926975080000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.558878100000000, 0.625865530000000, 0.350527360000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.558878100000000, 0.374134470000000, 0.850527360000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.574412760000000, 0.440692140000000, 0.169694300000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.574412760000000, 0.559307860000000, 0.669694300000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.645753900000000, 0.051530320000000, 0.908494760000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.645753900000000, 0.948469680000000, 0.408494760000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.669058850000000, 0.141413320000000, 0.236546620000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.669058850000000, 0.858586680000000, 0.736546620000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.724563140000000, 0.174217790000000, 0.483455330000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.724563140000000, 0.825782210000000, 0.983455330000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.775436860000000, 0.325782210000000, 0.983455330000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.775436860000000, 0.674217790000000, 0.483455330000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.830941150000000, 0.358586680000000, 0.736546620000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.830941150000000, 0.641413320000000, 0.236546620000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.854246100000000, 0.448469680000000, 0.408494760000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.854246100000000, 0.551530320000000, 0.908494760000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.925587240000000, 0.059307860000000, 0.669694300000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.925587240000000, 0.940692140000000, 0.169694300000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.941121900000000, 0.125865530000000, 0.350527360000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.941121900000000, 0.874134470000000, 0.850527360000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.958292280000000, 0.333214050000000, 0.926975080000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.958292280000000, 0.666785950000000, 0.426975080000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.078027332760871, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.108858418819949, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.107820393293451 ] # c*unit_cell: lattice: - [ 12.816021830000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.186244029999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.274683290000000 ] # c points: - symbol: Ho # 1 coordinates: [ 0.117033860000000, 0.249372580000000, 0.964322790000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 2 coordinates: [ 0.117033860000000, 0.750627420000000, 0.464322790000000 ] mass: 164.930320 reduced_to: 2 - symbol: Ho # 3 coordinates: [ 0.382966140000000, 0.250627420000000, 0.464322790000000 ] mass: 164.930320 reduced_to: 3 - symbol: Ho # 4 coordinates: [ 0.382966140000000, 0.749372580000000, 0.964322790000000 ] mass: 164.930320 reduced_to: 4 - symbol: Ho # 5 coordinates: [ 0.617033860000000, 0.250627420000000, 0.035677210000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 6 coordinates: [ 0.617033860000000, 0.749372580000000, 0.535677210000000 ] mass: 164.930320 reduced_to: 6 - symbol: Ho # 7 coordinates: [ 0.882966140000000, 0.249372580000000, 0.535677210000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 8 coordinates: [ 0.882966140000000, 0.750627420000000, 0.035677210000000 ] mass: 164.930320 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.000000000000000, 0.032753530000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.000000000000000, 0.967246470000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.145106540000000, 0.392178680000000, 0.611264820000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.145106540000000, 0.607821320000000, 0.111264820000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.354893460000000, 0.107821320000000, 0.111264820000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.354893460000000, 0.892178680000000, 0.611264820000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.500000000000000, 0.467246470000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.500000000000000, 0.532753530000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.645106540000000, 0.107821320000000, 0.388735180000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.645106540000000, 0.892178680000000, 0.888735180000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.854893460000000, 0.392178680000000, 0.888735180000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.854893460000000, 0.607821320000000, 0.388735180000000 ] mass: 32.065000 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.041707720000000, 0.666785950000000, 0.073024920000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.041707720000000, 0.333214050000000, 0.573024920000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.058878100000000, 0.874134470000000, 0.649472640000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.058878100000000, 0.125865530000000, 0.149472640000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.074412760000000, 0.059307860000000, 0.830305700000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.074412760000000, 0.940692140000000, 0.330305700000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.145753900000000, 0.448469680000000, 0.091505240000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.145753900000000, 0.551530320000000, 0.591505240000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.169058850000000, 0.358586680000000, 0.763453380000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.169058850000000, 0.641413320000000, 0.263453380000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.224563140000000, 0.325782210000000, 0.516544670000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.224563140000000, 0.674217790000000, 0.016544670000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.275436860000000, 0.174217790000000, 0.016544670000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.275436860000000, 0.825782210000000, 0.516544670000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.330941150000000, 0.858586680000000, 0.763453380000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.330941150000000, 0.141413320000000, 0.263453380000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.354246100000000, 0.051530320000000, 0.591505240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.354246100000000, 0.948469680000000, 0.091505240000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.425587240000000, 0.440692140000000, 0.330305700000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.425587240000000, 0.559307860000000, 0.830305700000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.441121900000000, 0.374134470000000, 0.649472640000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.441121900000000, 0.625865530000000, 0.149472640000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.458292280000000, 0.166785950000000, 0.073024920000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.458292280000000, 0.833214050000000, 0.573024920000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.541707720000000, 0.166785950000000, 0.426975080000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.541707720000000, 0.833214050000000, 0.926975080000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.558878100000000, 0.625865530000000, 0.350527360000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.558878100000000, 0.374134470000000, 0.850527360000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.574412760000000, 0.440692140000000, 0.169694300000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.574412760000000, 0.559307860000000, 0.669694300000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.645753900000000, 0.051530320000000, 0.908494760000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.645753900000000, 0.948469680000000, 0.408494760000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.669058850000000, 0.141413320000000, 0.236546620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.669058850000000, 0.858586680000000, 0.736546620000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.724563140000000, 0.174217790000000, 0.483455330000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.724563140000000, 0.825782210000000, 0.983455330000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.775436860000000, 0.325782210000000, 0.983455330000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.775436860000000, 0.674217790000000, 0.483455330000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.830941150000000, 0.358586680000000, 0.736546620000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.830941150000000, 0.641413320000000, 0.236546620000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.854246100000000, 0.448469680000000, 0.408494760000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.854246100000000, 0.551530320000000, 0.908494760000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.925587240000000, 0.059307860000000, 0.669694300000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.925587240000000, 0.940692140000000, 0.169694300000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.941121900000000, 0.125865530000000, 0.350527360000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.941121900000000, 0.874134470000000, 0.850527360000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.958292280000000, 0.333214050000000, 0.926975080000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.958292280000000, 0.666785950000000, 0.426975080000000 ] mass: 15.999400 reduced_to: 68supercell: lattice: - [ 12.816021830000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 18.372488059999998, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.274683290000000 ] # c points: - symbol: Ho # 1 coordinates: [ 0.117033860000000, 0.124686290000000, 0.964322790000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 2 coordinates: [ 0.117033860000000, 0.624686290000000, 0.964322790000000 ] mass: 164.930320 reduced_to: 1 - symbol: Ho # 3 coordinates: [ 0.117033860000000, 0.375313710000000, 0.464322790000000 ] mass: 164.930320 reduced_to: 3 - symbol: Ho # 4 coordinates: [ 0.117033860000000, 0.875313710000000, 0.464322790000000 ] mass: 164.930320 reduced_to: 3 - symbol: Ho # 5 coordinates: [ 0.382966140000000, 0.125313710000000, 0.464322790000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 6 coordinates: [ 0.382966140000000, 0.625313710000000, 0.464322790000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 7 coordinates: [ 0.382966140000000, 0.374686290000000, 0.964322790000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 8 coordinates: [ 0.382966140000000, 0.874686290000000, 0.964322790000000 ] mass: 164.930320 reduced_to: 7 - symbol: Ho # 9 coordinates: [ 0.617033860000000, 0.125313710000000, 0.035677210000000 ] mass: 164.930320 reduced_to: 9 - symbol: Ho # 10 coordinates: [ 0.617033860000000, 0.625313710000000, 0.035677210000000 ] mass: 164.930320 reduced_to: 9 - symbol: Ho # 11 coordinates: [ 0.617033860000000, 0.374686290000000, 0.535677210000000 ] mass: 164.930320 reduced_to: 11 - symbol: Ho # 12 coordinates: [ 0.617033860000000, 0.874686290000000, 0.535677210000000 ] mass: 164.930320 reduced_to: 11 - symbol: Ho # 13 coordinates: [ 0.882966140000000, 0.124686290000000, 0.535677210000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 14 coordinates: [ 0.882966140000000, 0.624686290000000, 0.535677210000000 ] mass: 164.930320 reduced_to: 13 - symbol: Ho # 15 coordinates: [ 0.882966140000000, 0.375313710000000, 0.035677210000000 ] mass: 164.930320 reduced_to: 15 - symbol: Ho # 16 coordinates: [ 0.882966140000000, 0.875313710000000, 0.035677210000000 ] mass: 164.930320 reduced_to: 15 - symbol: S # 17 coordinates: [ 0.000000000000000, 0.016376765000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.000000000000000, 0.516376765000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.000000000000000, 0.483623235000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.000000000000000, 0.983623235000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.145106540000000, 0.196089340000000, 0.611264820000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.145106540000000, 0.696089340000000, 0.611264820000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.145106540000000, 0.303910660000000, 0.111264820000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.145106540000000, 0.803910660000000, 0.111264820000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 25 coordinates: [ 0.354893460000000, 0.053910660000000, 0.111264820000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.354893460000000, 0.553910660000000, 0.111264820000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.354893460000000, 0.446089340000000, 0.611264820000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.354893460000000, 0.946089340000000, 0.611264820000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 29 coordinates: [ 0.500000000000000, 0.233623235000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.500000000000000, 0.733623235000000, 0.750000000000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.500000000000000, 0.266376765000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.500000000000000, 0.766376765000000, 0.250000000000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 33 coordinates: [ 0.645106540000000, 0.053910660000000, 0.388735180000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.645106540000000, 0.553910660000000, 0.388735180000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.645106540000000, 0.446089340000000, 0.888735180000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.645106540000000, 0.946089340000000, 0.888735180000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 37 coordinates: [ 0.854893460000000, 0.196089340000000, 0.888735180000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.854893460000000, 0.696089340000000, 0.888735180000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.854893460000000, 0.303910660000000, 0.388735180000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.854893460000000, 0.803910660000000, 0.388735180000000 ] mass: 32.065000 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.041707720000000, 0.333392975000000, 0.073024920000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.041707720000000, 0.833392975000000, 0.073024920000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.041707720000000, 0.166607025000000, 0.573024920000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.041707720000000, 0.666607025000000, 0.573024920000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.058878100000000, 0.437067235000000, 0.649472640000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.058878100000000, 0.937067235000000, 0.649472640000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.058878100000000, 0.062932765000000, 0.149472640000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.058878100000000, 0.562932765000000, 0.149472640000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.074412760000000, 0.029653930000000, 0.830305700000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.074412760000000, 0.529653930000000, 0.830305700000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.074412760000000, 0.470346070000000, 0.330305700000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.074412760000000, 0.970346070000000, 0.330305700000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.145753900000000, 0.224234840000000, 0.091505240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.145753900000000, 0.724234840000000, 0.091505240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.145753900000000, 0.275765160000000, 0.591505240000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.145753900000000, 0.775765160000000, 0.591505240000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.169058850000000, 0.179293340000000, 0.763453380000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.169058850000000, 0.679293340000000, 0.763453380000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.169058850000000, 0.320706660000000, 0.263453380000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.169058850000000, 0.820706660000000, 0.263453380000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.224563140000000, 0.162891105000000, 0.516544670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.224563140000000, 0.662891105000000, 0.516544670000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.224563140000000, 0.337108895000000, 0.016544670000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.224563140000000, 0.837108895000000, 0.016544670000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.275436860000000, 0.087108895000000, 0.016544670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.275436860000000, 0.587108895000000, 0.016544670000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.275436860000000, 0.412891105000000, 0.516544670000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.275436860000000, 0.912891105000000, 0.516544670000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.330941150000000, 0.429293340000000, 0.763453380000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.330941150000000, 0.929293340000000, 0.763453380000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.330941150000000, 0.070706660000000, 0.263453380000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.330941150000000, 0.570706660000000, 0.263453380000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.354246100000000, 0.025765160000000, 0.591505240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.354246100000000, 0.525765160000000, 0.591505240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.354246100000000, 0.474234840000000, 0.091505240000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.354246100000000, 0.974234840000000, 0.091505240000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.425587240000000, 0.220346070000000, 0.330305700000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.425587240000000, 0.720346070000000, 0.330305700000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.425587240000000, 0.279653930000000, 0.830305700000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.425587240000000, 0.779653930000000, 0.830305700000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.441121900000000, 0.187067235000000, 0.649472640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.441121900000000, 0.687067235000000, 0.649472640000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.441121900000000, 0.312932765000000, 0.149472640000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.441121900000000, 0.812932765000000, 0.149472640000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.458292280000000, 0.083392975000000, 0.073024920000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.458292280000000, 0.583392975000000, 0.073024920000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.458292280000000, 0.416607025000000, 0.573024920000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.458292280000000, 0.916607025000000, 0.573024920000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.541707720000000, 0.083392975000000, 0.426975080000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.541707720000000, 0.583392975000000, 0.426975080000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.541707720000000, 0.416607025000000, 0.926975080000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.541707720000000, 0.916607025000000, 0.926975080000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.558878100000000, 0.312932765000000, 0.350527360000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.558878100000000, 0.812932765000000, 0.350527360000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.558878100000000, 0.187067235000000, 0.850527360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.558878100000000, 0.687067235000000, 0.850527360000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.574412760000000, 0.220346070000000, 0.169694300000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.574412760000000, 0.720346070000000, 0.169694300000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.574412760000000, 0.279653930000000, 0.669694300000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.574412760000000, 0.779653930000000, 0.669694300000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.645753900000000, 0.025765160000000, 0.908494760000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.645753900000000, 0.525765160000000, 0.908494760000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.645753900000000, 0.474234840000000, 0.408494760000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.645753900000000, 0.974234840000000, 0.408494760000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.669058850000000, 0.070706660000000, 0.236546620000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.669058850000000, 0.570706660000000, 0.236546620000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.669058850000000, 0.429293340000000, 0.736546620000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.669058850000000, 0.929293340000000, 0.736546620000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.724563140000000, 0.087108895000000, 0.483455330000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.724563140000000, 0.587108895000000, 0.483455330000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.724563140000000, 0.412891105000000, 0.983455330000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.724563140000000, 0.912891105000000, 0.983455330000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.775436860000000, 0.162891105000000, 0.983455330000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.775436860000000, 0.662891105000000, 0.983455330000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.775436860000000, 0.337108895000000, 0.483455330000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.775436860000000, 0.837108895000000, 0.483455330000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.830941150000000, 0.179293340000000, 0.736546620000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.830941150000000, 0.679293340000000, 0.736546620000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.830941150000000, 0.320706660000000, 0.236546620000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.830941150000000, 0.820706660000000, 0.236546620000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 121 coordinates: [ 0.854246100000000, 0.224234840000000, 0.408494760000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.854246100000000, 0.724234840000000, 0.408494760000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.854246100000000, 0.275765160000000, 0.908494760000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.854246100000000, 0.775765160000000, 0.908494760000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 125 coordinates: [ 0.925587240000000, 0.029653930000000, 0.669694300000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.925587240000000, 0.529653930000000, 0.669694300000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.925587240000000, 0.470346070000000, 0.169694300000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.925587240000000, 0.970346070000000, 0.169694300000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.941121900000000, 0.062932765000000, 0.350527360000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.941121900000000, 0.562932765000000, 0.350527360000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.941121900000000, 0.437067235000000, 0.850527360000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.941121900000000, 0.937067235000000, 0.850527360000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 133 coordinates: [ 0.958292280000000, 0.166607025000000, 0.926975080000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.958292280000000, 0.666607025000000, 0.926975080000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.958292280000000, 0.333392975000000, 0.426975080000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.958292280000000, 0.833392975000000, 0.426975080000000 ] mass: 15.999400 reduced_to: 135displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1590574100000000, -0.0021504200000000, -0.0080967400000000 ] - [ -0.0012351800000000, -0.0002637800000000, 0.0001288900000000 ] - [ -0.0038618500000000, 0.0026874000000000, 0.0005241100000000 ] - [ -0.0054689800000000, 0.0037003100000000, 0.0008648500000000 ] - [ 0.0055580200000000, 0.0035130100000000, 0.0058734100000000 ] - [ -0.0000634000000000, 0.0001083500000000, 0.0003190900000000 ] - [ 0.0022014800000000, 0.0035941000000000, 0.0000494800000000 ] - [ 0.0022205200000000, -0.0097703700000000, -0.0034133300000000 ] - [ 0.0206889200000000, 0.0051253600000000, -0.0036176100000000 ] - [ 0.0009911400000000, -0.0004475500000000, -0.0005209300000000 ] - [ 0.0031309600000000, 0.0004573700000000, 0.0001155900000000 ] - [ 0.0031371200000000, -0.0004396200000000, -0.0003730400000000 ] - [ -0.0013507300000000, -0.0006168400000000, 0.0069790300000000 ] - [ 0.0003530400000000, 0.0000490000000000, -0.0003259500000000 ] - [ -0.0030085800000000, -0.0088198000000000, -0.0049068200000000 ] - [ 0.0026806200000000, 0.0062911200000000, -0.0007434600000000 ] - [ 0.0067063900000000, 0.0165978100000000, -0.0181652100000000 ] - [ -0.0018458400000000, -0.0000694600000000, -0.0008272500000000 ] - [ -0.0020005700000000, -0.0012657600000000, 0.0014917400000000 ] - [ 0.0045721700000000, 0.0157153300000000, 0.0101839500000000 ] - [ -0.0167946200000000, 0.0029517400000000, -0.0179730900000000 ] - [ -0.0009090200000000, 0.0005067100000000, 0.0003480800000000 ] - [ -0.0085077500000000, 0.0136300700000000, 0.0015631800000000 ] - [ -0.0048743400000000, 0.0000427000000000, 0.0019213300000000 ] - [ 0.0512996000000000, -0.0277969500000000, 0.0365336300000000 ] - [ -0.0002750200000000, 0.0015281900000000, 0.0001661500000000 ] - [ 0.0004363800000000, 0.0006455300000000, -0.0002587100000000 ] - [ -0.0004214500000000, -0.0059806700000000, -0.0031486300000000 ] - [ 0.0075991400000000, 0.0021192300000000, 0.0000419200000000 ] - [ 0.0014697600000000, -0.0015679100000000, -0.0006801000000000 ] - [ 0.0057367700000000, 0.0031328800000000, -0.0005789800000000 ] - [ 0.0016656000000000, -0.0017315900000000, 0.0013252800000000 ] - [ 0.0091081400000000, 0.0009116700000000, 0.0007806700000000 ] - [ 0.0010931800000000, 0.0002153900000000, -0.0001948600000000 ] - [ 0.0038248400000000, -0.0013717900000000, 0.0006308800000000 ] - [ 0.0068330500000000, 0.0005314100000000, -0.0002472300000000 ] - [ 0.0637634900000000, -0.0261843800000000, 0.0138727200000000 ] - [ 0.0001651700000000, 0.0012789200000000, -0.0004003400000000 ] - [ -0.0014195700000000, -0.0040141400000000, -0.0022979900000000 ] - [ 0.0013937200000000, 0.0016091000000000, -0.0014040600000000 ] - [ 0.0080912800000000, -0.0038064100000000, 0.0016677400000000 ] - [ 0.0025425000000000, -0.0011748000000000, -0.0000808100000000 ] - [ 0.0128357100000000, 0.0037499600000000, 0.0036524900000000 ] - [ 0.0002764200000000, -0.0001185600000000, -0.0003046200000000 ] - [ 0.0005253800000000, -0.0006462500000000, -0.0012639600000000 ] - [ 0.0017268100000000, -0.0050392100000000, -0.0047837500000000 ] - [ 0.0095525600000000, 0.0068499600000000, -0.0117260000000000 ] - [ 0.0000190300000000, 0.0003546900000000, -0.0003567600000000 ] - [ 0.0069113900000000, 0.0072451700000000, 0.0052571700000000 ] - [ 0.0004737600000000, -0.0000852900000000, -0.0000895300000000 ] - [ 0.0007595400000000, -0.0001919300000000, 0.0004616400000000 ] - [ 0.0030325100000000, -0.0060603600000000, 0.0054364500000000 ] - [ 0.0068887800000000, 0.0006647800000000, 0.0029868400000000 ] - [ 0.0006594600000000, 0.0005376900000000, -0.0000505400000000 ] - [ 0.0024955000000000, -0.0049442200000000, 0.0043220600000000 ] - [ 0.0003396800000000, -0.0013905800000000, 0.0004743000000000 ] - [ 0.0114807100000000, 0.0042994400000000, -0.0033781900000000 ] - [ 0.0002632700000000, -0.0000363300000000, 0.0010462700000000 ] - [ 0.0010099500000000, -0.0029577100000000, -0.0010445600000000 ] - [ 0.0011589200000000, -0.0004529600000000, -0.0000870700000000 ] - [ 0.0025444000000000, -0.0008998500000000, 0.0022909200000000 ] - [ 0.0008277100000000, -0.0004101200000000, -0.0005576000000000 ] - [ 0.0008457600000000, -0.0023856700000000, -0.0007802000000000 ] - [ 0.0032681900000000, 0.0017166600000000, -0.0014955500000000 ] - [ 0.0365604200000000, -0.0083844800000000, 0.0001372700000000 ] - [ 0.0004128400000000, -0.0003341100000000, -0.0000532600000000 ] - [ -0.0000825600000000, -0.0004140500000000, -0.0002701100000000 ] - [ 0.0030671700000000, 0.0018743200000000, 0.0012004900000000 ] - [ -0.0001005400000000, -0.0004442000000000, 0.0015087300000000 ] - [ -0.0000599600000000, 0.0016164400000000, 0.0028281900000000 ] - [ -0.0066704400000000, 0.0002744400000000, -0.0168776500000000 ] - [ 0.0000683500000000, -0.0003235200000000, 0.0008372800000000 ] - [ -0.0001202600000000, 0.0028062600000000, 0.0002920000000000 ] - [ 0.0000462000000000, -0.0009670000000000, 0.0003800000000000 ] - [ 0.0001288800000000, -0.0007179500000000, -0.0000739400000000 ] - [ -0.0078028900000000, 0.0180671400000000, -0.0012669800000000 ] - [ -0.0026118700000000, -0.0021796300000000, 0.0008693100000000 ] - [ 0.0002288500000000, 0.0011163400000000, -0.0005630000000000 ] - [ -0.0019906500000000, -0.0013295600000000, 0.0004143700000000 ] - [ -0.0009102800000000, 0.0012298500000000, 0.0010415400000000 ] - [ -0.0025086400000000, -0.0024430300000000, -0.0019666000000000 ] - [ 0.0004278600000000, 0.0002693600000000, 0.0000386000000000 ] - [ -0.0006960500000000, -0.0006069300000000, -0.0003763000000000 ] - [ -0.0006550000000000, 0.0020261600000000, -0.0017404900000000 ] - [ -0.0205766500000000, -0.0017580400000000, -0.0020124100000000 ] - [ -0.0001543900000000, -0.0001403900000000, -0.0002901600000000 ] - [ -0.0004463500000000, -0.0002003400000000, -0.0002381300000000 ] - [ -0.0017746700000000, 0.0013748600000000, 0.0003652600000000 ] - [ -0.0058193000000000, 0.0013634400000000, 0.0006604300000000 ] - [ -0.0007328900000000, 0.0002873900000000, 0.0004544600000000 ] - [ -0.0023310000000000, -0.0007643400000000, 0.0006071100000000 ] - [ -0.0044460400000000, -0.0007674800000000, 0.0013619000000000 ] - [ -0.0024306200000000, -0.0013576600000000, -0.0008546000000000 ] - [ -0.0011362100000000, 0.0003181100000000, -0.0001281500000000 ] - [ -0.0039066400000000, 0.0000364300000000, -0.0006223900000000 ] - [ -0.0010696700000000, 0.0004111100000000, 0.0000242900000000 ] - [ -0.0028228600000000, 0.0006887500000000, 0.0009863100000000 ] - [ -0.0009943800000000, 0.0013432600000000, 0.0003592800000000 ] - [ -0.0030531100000000, -0.0023104000000000, 0.0012421200000000 ] - [ -0.0007661000000000, -0.0004509400000000, 0.0003615400000000 ] - [ -0.0026206700000000, -0.0009785300000000, 0.0000770500000000 ] - [ -0.0007750400000000, 0.0002520400000000, -0.0001824300000000 ] - [ -0.0004638100000000, 0.0003730700000000, -0.0001674600000000 ] - [ -0.0017747300000000, -0.0000654400000000, -0.0002018600000000 ] - [ -0.0027201800000000, -0.0004500000000000, -0.0009207500000000 ] - [ -0.0002571600000000, -0.0000337700000000, -0.0009165900000000 ] - [ -0.0008489700000000, 0.0002357500000000, -0.0012566100000000 ] - [ -0.0013904700000000, -0.0000980500000000, -0.0007216300000000 ] - [ -0.0047012000000000, -0.0015682100000000, -0.0017752900000000 ] - [ -0.0003969700000000, -0.0001199100000000, 0.0000739500000000 ] - [ -0.0021891500000000, 0.0014993500000000, -0.0004914700000000 ] - [ -0.0030234200000000, 0.0003682200000000, -0.0007762100000000 ] - [ -0.0218078300000000, -0.0024252300000000, 0.0053681700000000 ] - [ -0.0007754900000000, -0.0004908500000000, 0.0005475800000000 ] - [ -0.0016100700000000, 0.0013479400000000, 0.0009322300000000 ] - [ -0.0014343700000000, 0.0001495300000000, 0.0007815900000000 ] - [ -0.0095835500000000, 0.0001885300000000, -0.0147422700000000 ] - [ -0.0000900500000000, -0.0001970500000000, -0.0010377600000000 ] - [ 0.0001403700000000, 0.0009131000000000, 0.0004844200000000 ] - [ -0.0004537400000000, -0.0009617900000000, 0.0001017400000000 ] - [ 0.0002902800000000, 0.0032397800000000, -0.0006065200000000 ] - [ -0.0000542800000000, -0.0003836900000000, 0.0001600600000000 ] - [ -0.0078939100000000, 0.0170103200000000, 0.0018458100000000 ] - [ -0.0001000700000000, -0.0020282900000000, -0.0005876200000000 ] - [ -0.0001011400000000, -0.0025882900000000, -0.0018237500000000 ] - [ 0.0004363900000000, -0.0003087900000000, -0.0001359200000000 ] - [ 0.0013823900000000, 0.0019063000000000, 0.0012567400000000 ] - [ -0.0023339500000000, -0.0043860800000000, 0.0008342400000000 ] - [ -0.0013232600000000, -0.0004208300000000, 0.0038489400000000 ] - [ 0.0007506800000000, 0.0002330800000000, 0.0004627200000000 ] - [ 0.0016820600000000, 0.0013459900000000, -0.0009339700000000 ] - [ -0.0012473800000000, -0.0038649000000000, 0.0010463300000000 ] - [ 0.0242092100000000, -0.0064047700000000, 0.0019177700000000 ] - [ 0.0004568200000000, -0.0004168500000000, 0.0004430000000000 ] - [ 0.0027294700000000, 0.0013671600000000, 0.0009883900000000 ] - [ -0.0004415500000000, -0.0007181900000000, 0.0003346800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1583513700000000, 0.0019858300000000, 0.0083254000000000 ] - [ 0.0008027700000000, -0.0002427400000000, 0.0005540400000000 ] - [ 0.0034491500000000, -0.0022126300000000, 0.0001486400000000 ] - [ 0.0050117800000000, -0.0031624600000000, -0.0001743300000000 ] - [ -0.0051626000000000, -0.0029742900000000, -0.0051530600000000 ] - [ 0.0004862300000000, 0.0003934900000000, 0.0003622800000000 ] - [ -0.0018167600000000, -0.0040833400000000, 0.0006400800000000 ] - [ -0.0017978900000000, 0.0092157400000000, 0.0040760200000000 ] - [ -0.0211244400000000, -0.0046274900000000, 0.0029468500000000 ] - [ -0.0014179100000000, 0.0009516000000000, -0.0001597900000000 ] - [ -0.0035613500000000, -0.0009442600000000, -0.0008001300000000 ] - [ -0.0035579900000000, -0.0000786600000000, -0.0003106700000000 ] - [ 0.0018484100000000, 0.0000650700000000, -0.0077137500000000 ] - [ 0.0000799500000000, -0.0005523200000000, -0.0003577500000000 ] - [ 0.0034856800000000, 0.0093690000000000, 0.0042530800000000 ] - [ -0.0022214200000000, -0.0057688000000000, 0.0000549800000000 ] - [ -0.0065469300000000, -0.0160295600000000, 0.0180944100000000 ] - [ 0.0018575000000000, 0.0005513300000000, 0.0008314200000000 ] - [ 0.0020132200000000, 0.0007751500000000, -0.0014995600000000 ] - [ -0.0043511800000000, -0.0161028100000000, -0.0100742000000000 ] - [ 0.0170717300000000, -0.0036502200000000, 0.0188100800000000 ] - [ 0.0011537500000000, -0.0011623100000000, 0.0002651300000000 ] - [ 0.0087701600000000, -0.0132245000000000, -0.0009945700000000 ] - [ 0.0051010000000000, 0.0006249100000000, -0.0012988900000000 ] - [ -0.0510690200000000, 0.0281849200000000, -0.0356307700000000 ] - [ 0.0000219400000000, -0.0008691700000000, 0.0004448700000000 ] - [ -0.0007046400000000, -0.0013138900000000, 0.0008693800000000 ] - [ 0.0001570800000000, 0.0052936200000000, 0.0037439300000000 ] - [ -0.0076114600000000, -0.0025770800000000, -0.0000632000000000 ] - [ -0.0014659600000000, 0.0010699600000000, 0.0006770800000000 ] - [ -0.0057518600000000, -0.0026118900000000, 0.0005857900000000 ] - [ -0.0016614500000000, 0.0022063800000000, -0.0013197100000000 ] - [ -0.0088451900000000, -0.0002626200000000, -0.0013736000000000 ] - [ -0.0008450600000000, 0.0004568500000000, -0.0004171500000000 ] - [ -0.0035829400000000, 0.0007174400000000, -0.0012426200000000 ] - [ -0.0065632100000000, -0.0012331700000000, -0.0003712700000000 ] - [ -0.0646423100000000, 0.0258406200000000, -0.0146710100000000 ] - [ -0.0004075200000000, -0.0019375200000000, -0.0002113400000000 ] - [ 0.0012042100000000, 0.0046894200000000, 0.0016918200000000 ] - [ -0.0016229900000000, -0.0009393500000000, 0.0007866200000000 ] - [ -0.0085474000000000, 0.0040574300000000, -0.0024383000000000 ] - [ -0.0029131100000000, 0.0013582800000000, -0.0006739200000000 ] - [ -0.0132869300000000, -0.0039595300000000, -0.0044388400000000 ] - [ -0.0006592700000000, -0.0000759100000000, -0.0004522400000000 ] - [ -0.0014170000000000, 0.0002496400000000, 0.0005582800000000 ] - [ -0.0026184100000000, 0.0045838100000000, 0.0040174700000000 ] - [ -0.0103802000000000, -0.0066001100000000, 0.0112506400000000 ] - [ -0.0009055800000000, 0.0000535800000000, -0.0003593300000000 ] - [ -0.0071572800000000, -0.0082838100000000, -0.0055163300000000 ] - [ -0.0008047000000000, -0.0008727800000000, -0.0001218000000000 ] - [ -0.0010928800000000, 0.0011590100000000, -0.0006782900000000 ] - [ -0.0033524400000000, 0.0069637700000000, -0.0056052800000000 ] - [ -0.0071950400000000, -0.0000677600000000, -0.0027121200000000 ] - [ -0.0009260700000000, 0.0001789700000000, 0.0003922300000000 ] - [ -0.0027680900000000, 0.0042750700000000, -0.0040231000000000 ] - [ -0.0006049900000000, 0.0006671100000000, -0.0001284400000000 ] - [ -0.0115015500000000, -0.0040437500000000, 0.0051405100000000 ] - [ -0.0002549400000000, 0.0002552800000000, 0.0008152300000000 ] - [ -0.0009980700000000, 0.0027874800000000, 0.0029465100000000 ] - [ -0.0011420600000000, 0.0002304500000000, 0.0019369200000000 ] - [ -0.0021927200000000, 0.0007769700000000, -0.0029542600000000 ] - [ -0.0005262400000000, 0.0003064700000000, -0.0000451000000000 ] - [ -0.0004922800000000, 0.0025494700000000, 0.0001526900000000 ] - [ -0.0029498600000000, -0.0016052200000000, 0.0008909200000000 ] - [ -0.0340137500000000, 0.0073982900000000, 0.0000369200000000 ] - [ -0.0007130300000000, 0.0004372200000000, -0.0005478100000000 ] - [ -0.0002054700000000, 0.0003165800000000, -0.0003268500000000 ] - [ -0.0033416100000000, -0.0019651900000000, -0.0017939800000000 ] - [ 0.0000960200000000, 0.0006619500000000, 0.0003523100000000 ] - [ 0.0000569300000000, -0.0013838500000000, -0.0009555600000000 ] - [ 0.0066191300000000, -0.0004906500000000, 0.0186325700000000 ] - [ -0.0000774500000000, 0.0001052700000000, 0.0010251000000000 ] - [ 0.0003956100000000, -0.0035087600000000, 0.0000566800000000 ] - [ 0.0002251700000000, 0.0002559800000000, -0.0000376300000000 ] - [ 0.0001430800000000, 0.0014314700000000, 0.0004170800000000 ] - [ 0.0080315100000000, -0.0172898900000000, 0.0016073100000000 ] - [ 0.0029344100000000, 0.0031209500000000, -0.0010837100000000 ] - [ 0.0000988400000000, -0.0001520200000000, 0.0003485200000000 ] - [ 0.0023224300000000, 0.0003460500000000, -0.0006268500000000 ] - [ 0.0012324300000000, -0.0021745700000000, -0.0012475600000000 ] - [ 0.0033943000000000, 0.0020265500000000, 0.0012606300000000 ] - [ 0.0004584200000000, -0.0006694600000000, -0.0007499300000000 ] - [ 0.0015872400000000, 0.0009966700000000, -0.0003336200000000 ] - [ 0.0015347100000000, -0.0016063000000000, 0.0010204900000000 ] - [ 0.0209505200000000, 0.0019704000000000, 0.0012445300000000 ] - [ 0.0005434500000000, 0.0003354600000000, -0.0004673400000000 ] - [ 0.0008405800000000, 0.0000011300000000, -0.0005200500000000 ] - [ 0.0021556400000000, -0.0015592500000000, -0.0011202100000000 ] - [ 0.0054277300000000, -0.0011710300000000, 0.0000900300000000 ] - [ 0.0003527300000000, -0.0000949000000000, 0.0003021000000000 ] - [ 0.0019564900000000, 0.0005683000000000, 0.0001484100000000 ] - [ 0.0040533900000000, 0.0005882900000000, -0.0006021600000000 ] - [ 0.0015446400000000, 0.0017532400000000, 0.0015645400000000 ] - [ 0.0002514500000000, 0.0000950700000000, 0.0008424400000000 ] - [ 0.0030265700000000, -0.0004601600000000, 0.0013519500000000 ] - [ 0.0001872100000000, -0.0008131600000000, 0.0006894000000000 ] - [ 0.0025031700000000, 0.0002491800000000, -0.0007874200000000 ] - [ 0.0006680100000000, -0.0003807400000000, -0.0001471700000000 ] - [ 0.0027233400000000, 0.0013387200000000, -0.0010216200000000 ] - [ 0.0004423100000000, -0.0004997100000000, -0.0001509700000000 ] - [ 0.0023404700000000, 0.0002889400000000, -0.0004139100000000 ] - [ 0.0005104200000000, -0.0009717600000000, -0.0001621600000000 ] - [ 0.0001962300000000, 0.0003324500000000, -0.0001752500000000 ] - [ 0.0014969600000000, 0.0007930300000000, -0.0001480000000000 ] - [ 0.0027181800000000, 0.0002347700000000, -0.0009542400000000 ] - [ 0.0002698600000000, -0.0001873200000000, -0.0009462200000000 ] - [ 0.0008594400000000, -0.0000202300000000, -0.0006054800000000 ] - [ 0.0013891500000000, 0.0003267300000000, -0.0011292200000000 ] - [ 0.0049796500000000, 0.0016690300000000, 0.0023695900000000 ] - [ 0.0006967500000000, 0.0002209000000000, 0.0005277800000000 ] - [ 0.0024885800000000, -0.0016057100000000, 0.0010928800000000 ] - [ 0.0032961300000000, -0.0004578300000000, 0.0013700600000000 ] - [ 0.0215684200000000, 0.0023107600000000, -0.0047687700000000 ] - [ 0.0004752200000000, 0.0003853500000000, 0.0000542600000000 ] - [ 0.0013005500000000, -0.0012440100000000, -0.0003286400000000 ] - [ 0.0011241600000000, -0.0000470000000000, -0.0001782100000000 ] - [ 0.0096157700000000, 0.0000280700000000, 0.0129654000000000 ] - [ 0.0000797400000000, 0.0004147700000000, -0.0008196700000000 ] - [ -0.0001585700000000, -0.0011344900000000, -0.0023515200000000 ] - [ 0.0004393100000000, 0.0007355300000000, -0.0019547300000000 ] - [ -0.0000332200000000, -0.0025245300000000, 0.0002622100000000 ] - [ 0.0003200400000000, 0.0010959800000000, -0.0005020600000000 ] - [ 0.0081935000000000, -0.0178000800000000, -0.0021929400000000 ] - [ 0.0003658100000000, 0.0013037000000000, 0.0002439900000000 ] - [ 0.0003574700000000, 0.0016612200000000, 0.0019957800000000 ] - [ -0.0001142200000000, -0.0006472600000000, 0.0003490600000000 ] - [ -0.0010659400000000, -0.0009502400000000, -0.0010508300000000 ] - [ 0.0026160300000000, 0.0053077500000000, -0.0006316900000000 ] - [ 0.0021612500000000, 0.0008375200000000, -0.0030940300000000 ] - [ 0.0001284800000000, 0.0001744200000000, 0.0002505400000000 ] - [ -0.0008064700000000, -0.0017536800000000, 0.0016529200000000 ] - [ 0.0020756100000000, 0.0034153200000000, -0.0003154700000000 ] - [ -0.0264978300000000, 0.0073103700000000, -0.0016581000000000 ] - [ -0.0000793300000000, 0.0002239200000000, 0.0003139600000000 ] - [ -0.0023717000000000, -0.0011780900000000, -0.0002355600000000 ] - [ 0.0008111700000000, 0.0009004700000000, 0.0004191200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020665500000000, -0.1645804400000000, 0.0055307000000000 ] - [ -0.0002143800000000, 0.0073689700000000, 0.0002854400000000 ] - [ -0.0026514700000000, 0.0074906000000000, 0.0049215000000000 ] - [ -0.0036280400000000, 0.0090481900000000, 0.0023137400000000 ] - [ 0.0034318900000000, -0.0107756100000000, -0.0028230200000000 ] - [ 0.0000651900000000, 0.0056524900000000, 0.0004725300000000 ] - [ 0.0097194600000000, 0.0043036800000000, -0.0009226000000000 ] - [ -0.0036244100000000, 0.0043189100000000, 0.0005973200000000 ] - [ -0.0050834800000000, -0.0085442900000000, 0.0013294500000000 ] - [ 0.0004917400000000, 0.0052722000000000, -0.0003630400000000 ] - [ -0.0003835900000000, 0.0007990200000000, -0.0009272000000000 ] - [ 0.0004990300000000, 0.0008127100000000, 0.0004022100000000 ] - [ 0.0005438500000000, -0.0200576000000000, -0.0037241900000000 ] - [ -0.0001011200000000, 0.0063825600000000, -0.0001548300000000 ] - [ -0.0089143400000000, 0.0069194100000000, -0.0006570300000000 ] - [ 0.0062190800000000, 0.0099367900000000, -0.0028832300000000 ] - [ 0.0204470800000000, 0.0151113900000000, -0.0283627400000000 ] - [ -0.0008960000000000, 0.0081104900000000, 0.0001427400000000 ] - [ -0.0005833500000000, 0.0072312100000000, -0.0007836400000000 ] - [ 0.0352383400000000, 0.0283306900000000, 0.0313508100000000 ] - [ -0.0065658200000000, -0.0030778200000000, -0.0321897900000000 ] - [ -0.0000238500000000, 0.0067712300000000, -0.0000211900000000 ] - [ 0.0028927600000000, 0.0576646000000000, 0.0146834700000000 ] - [ -0.0017960400000000, 0.0082142500000000, 0.0002180900000000 ] - [ -0.0202638900000000, 0.0019591200000000, -0.0135049200000000 ] - [ 0.0002103900000000, 0.0066688400000000, 0.0006758700000000 ] - [ 0.0029171800000000, 0.0045738600000000, -0.0005656600000000 ] - [ -0.0047769100000000, -0.0038947500000000, 0.0027360500000000 ] - [ 0.0031500100000000, -0.0057363500000000, -0.0012109300000000 ] - [ -0.0005269700000000, 0.0042186500000000, 0.0003893300000000 ] - [ 0.0030248500000000, -0.0043274700000000, 0.0015214000000000 ] - [ -0.0005677000000000, 0.0045240600000000, -0.0006132100000000 ] - [ 0.0015207800000000, -0.0033120100000000, 0.0000505200000000 ] - [ 0.0002120400000000, 0.0039262500000000, -0.0003643200000000 ] - [ -0.0002241200000000, 0.0039608200000000, -0.0015119700000000 ] - [ 0.0021414700000000, -0.0043105100000000, 0.0006711000000000 ] - [ -0.0263510800000000, 0.0004929300000000, -0.0075142500000000 ] - [ 0.0000539300000000, 0.0065063200000000, 0.0001308600000000 ] - [ -0.0042844400000000, -0.0040856900000000, 0.0021754700000000 ] - [ 0.0029127400000000, 0.0060765100000000, -0.0018315500000000 ] - [ 0.0101468800000000, -0.0124341500000000, -0.0000571300000000 ] - [ 0.0017281000000000, -0.0028670400000000, 0.0003135400000000 ] - [ 0.0104217900000000, 0.0058972600000000, 0.0065942300000000 ] - [ -0.0015160800000000, -0.0022092900000000, -0.0006070700000000 ] - [ 0.0009803500000000, -0.0033219300000000, -0.0020955800000000 ] - [ -0.0007123500000000, -0.0097938400000000, -0.0106935000000000 ] - [ 0.0042055300000000, 0.0152516300000000, -0.0152650400000000 ] - [ -0.0013816500000000, -0.0028584600000000, 0.0013607000000000 ] - [ -0.0011953100000000, 0.0245884800000000, 0.0107450400000000 ] - [ -0.0011734400000000, -0.0039119600000000, -0.0013038500000000 ] - [ 0.0016320400000000, -0.0033204000000000, 0.0011503200000000 ] - [ -0.0000202100000000, -0.0048403300000000, 0.0055595500000000 ] - [ 0.0066036200000000, 0.0270384100000000, 0.0205548500000000 ] - [ -0.0001301000000000, -0.0052808500000000, -0.0011881200000000 ] - [ 0.0008732800000000, -0.0014120700000000, 0.0046708500000000 ] - [ 0.0003224600000000, -0.0058564400000000, 0.0014713200000000 ] - [ 0.0080184800000000, 0.0139596100000000, -0.0063364500000000 ] - [ -0.0000038700000000, -0.0019046000000000, 0.0021965000000000 ] - [ -0.0006609000000000, -0.0104643300000000, -0.0107191800000000 ] - [ 0.0005751200000000, -0.0021984300000000, -0.0002069300000000 ] - [ -0.0059379000000000, 0.0045356800000000, 0.0086640100000000 ] - [ 0.0015592800000000, -0.0021830000000000, -0.0010206000000000 ] - [ -0.0098139700000000, -0.0125280300000000, 0.0032850200000000 ] - [ 0.0007362400000000, -0.0020017200000000, 0.0000454100000000 ] - [ -0.0107971500000000, 0.0091645000000000, -0.0003647500000000 ] - [ 0.0008349200000000, -0.0018537700000000, 0.0001874800000000 ] - [ -0.0025776000000000, -0.0020667200000000, -0.0013501900000000 ] - [ 0.0024176600000000, 0.0007263100000000, 0.0000986400000000 ] - [ -0.0008209100000000, -0.0014545500000000, 0.0025044700000000 ] - [ 0.0017821700000000, 0.0000830600000000, -0.0006536700000000 ] - [ 0.0026379400000000, 0.0025051000000000, 0.0089818600000000 ] - [ -0.0001646200000000, -0.0017826000000000, -0.0000953400000000 ] - [ 0.0012774200000000, 0.0038317100000000, -0.0014292400000000 ] - [ -0.0004888600000000, -0.0042133200000000, 0.0012281400000000 ] - [ -0.0001753500000000, -0.0043205400000000, -0.0009241200000000 ] - [ 0.0032353700000000, -0.0004283500000000, 0.0014431000000000 ] - [ -0.0001501400000000, 0.0030357200000000, -0.0011466800000000 ] - [ -0.0004835700000000, -0.0016849600000000, 0.0008807800000000 ] - [ -0.0026223900000000, 0.0019158300000000, 0.0016966400000000 ] - [ 0.0012864700000000, -0.0027855900000000, -0.0012001400000000 ] - [ 0.0003367500000000, 0.0022804400000000, 0.0012519200000000 ] - [ -0.0001402600000000, -0.0021162800000000, -0.0015004400000000 ] - [ -0.0020517400000000, 0.0021079900000000, -0.0024128300000000 ] - [ 0.0015721200000000, -0.0017520400000000, 0.0010461000000000 ] - [ 0.0092081100000000, 0.0027858300000000, -0.0000061700000000 ] - [ -0.0011986000000000, -0.0017665900000000, -0.0001616000000000 ] - [ -0.0008330100000000, -0.0006708600000000, -0.0000392000000000 ] - [ 0.0021687900000000, -0.0000815800000000, -0.0011076600000000 ] - [ -0.0017563200000000, 0.0018726400000000, 0.0008346500000000 ] - [ 0.0003893600000000, -0.0010758100000000, 0.0002565700000000 ] - [ -0.0018564700000000, -0.0014767300000000, 0.0008410200000000 ] - [ 0.0000716100000000, 0.0003651700000000, 0.0001724800000000 ] - [ -0.0007314500000000, 0.0008783000000000, 0.0001587500000000 ] - [ -0.0008589000000000, -0.0010787600000000, -0.0002181500000000 ] - [ -0.0014693100000000, 0.0025035100000000, -0.0011723300000000 ] - [ 0.0002505600000000, -0.0020750900000000, 0.0013508700000000 ] - [ -0.0013598900000000, 0.0033343600000000, 0.0010854700000000 ] - [ 0.0006242000000000, -0.0016552300000000, -0.0007108100000000 ] - [ -0.0004273800000000, 0.0004808700000000, 0.0002888400000000 ] - [ -0.0006309400000000, -0.0020759300000000, 0.0005895300000000 ] - [ -0.0004422200000000, 0.0033205300000000, 0.0005604200000000 ] - [ 0.0000347000000000, -0.0037419100000000, -0.0007765400000000 ] - [ -0.0002536400000000, -0.0021224500000000, 0.0003949000000000 ] - [ -0.0003826000000000, 0.0025253300000000, -0.0006395100000000 ] - [ -0.0002779100000000, 0.0014397400000000, -0.0019117300000000 ] - [ 0.0000708500000000, -0.0012150600000000, -0.0003928600000000 ] - [ 0.0000928800000000, -0.0006185200000000, -0.0006458500000000 ] - [ -0.0006216100000000, 0.0004993900000000, -0.0013321400000000 ] - [ -0.0000793000000000, 0.0017453300000000, 0.0005982000000000 ] - [ -0.0005174600000000, -0.0012038200000000, -0.0000588900000000 ] - [ 0.0024047500000000, -0.0018242500000000, 0.0013757100000000 ] - [ -0.0026014800000000, 0.0009650600000000, -0.0005645000000000 ] - [ 0.0095444300000000, 0.0032370300000000, -0.0025124900000000 ] - [ -0.0015174600000000, -0.0020956000000000, 0.0009863600000000 ] - [ 0.0012623200000000, 0.0002902500000000, -0.0003792300000000 ] - [ -0.0012809400000000, -0.0007046500000000, 0.0006650500000000 ] - [ 0.0038297000000000, 0.0032449700000000, 0.0074766700000000 ] - [ -0.0000031600000000, -0.0017778500000000, -0.0022150400000000 ] - [ 0.0012510500000000, 0.0007678600000000, -0.0030653100000000 ] - [ -0.0009317800000000, -0.0021350900000000, 0.0010002100000000 ] - [ 0.0007415800000000, 0.0052899800000000, -0.0017762300000000 ] - [ -0.0000707800000000, -0.0041756100000000, 0.0011545800000000 ] - [ 0.0040074400000000, -0.0001658800000000, 0.0008154100000000 ] - [ -0.0004479300000000, -0.0057441200000000, -0.0014908200000000 ] - [ -0.0131423700000000, 0.0067233600000000, -0.0118452000000000 ] - [ 0.0016518500000000, -0.0039562300000000, 0.0017037300000000 ] - [ -0.0003069100000000, -0.0029907300000000, -0.0013741200000000 ] - [ -0.0055457100000000, -0.0051667800000000, 0.0016053700000000 ] - [ -0.0077855000000000, 0.0059072600000000, 0.0118733300000000 ] - [ 0.0018460600000000, -0.0029394400000000, -0.0015705900000000 ] - [ 0.0000127700000000, -0.0032774200000000, 0.0023319400000000 ] - [ -0.0092023900000000, -0.0100176900000000, 0.0023830400000000 ] - [ -0.0077004700000000, 0.0100680700000000, -0.0002459300000000 ] - [ 0.0014726100000000, -0.0022155100000000, 0.0005735300000000 ] - [ 0.0034153600000000, 0.0011708300000000, 0.0001659300000000 ] - [ -0.0024469900000000, -0.0023908500000000, -0.0000585700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021296300000000, 0.1636670200000000, -0.0053876900000000 ] - [ -0.0001986800000000, -0.0078733400000000, 0.0003921900000000 ] - [ 0.0022408200000000, -0.0069953300000000, -0.0042167900000000 ] - [ 0.0032264400000000, -0.0085353000000000, -0.0016493200000000 ] - [ -0.0030448900000000, 0.0112744100000000, 0.0034742100000000 ] - [ 0.0003541900000000, -0.0051420100000000, 0.0002024200000000 ] - [ -0.0092578700000000, -0.0048099000000000, 0.0015907300000000 ] - [ 0.0040571200000000, -0.0047965000000000, 0.0000928100000000 ] - [ 0.0046578200000000, 0.0090391300000000, -0.0020053700000000 ] - [ -0.0009106300000000, -0.0047593000000000, -0.0003116900000000 ] - [ -0.0000291400000000, -0.0013188000000000, 0.0002541100000000 ] - [ -0.0009112300000000, -0.0013050400000000, -0.0010796500000000 ] - [ -0.0001281100000000, 0.0195792600000000, 0.0030491200000000 ] - [ 0.0005072000000000, -0.0068869400000000, -0.0005201300000000 ] - [ 0.0092762400000000, -0.0064165000000000, -0.0000310300000000 ] - [ -0.0058314200000000, -0.0094422100000000, 0.0022267000000000 ] - [ -0.0204648100000000, -0.0145386300000000, 0.0284430600000000 ] - [ 0.0008976300000000, -0.0076053300000000, -0.0001388600000000 ] - [ 0.0005796300000000, -0.0077299200000000, 0.0007736300000000 ] - [ -0.0354164900000000, -0.0290474900000000, -0.0316130200000000 ] - [ 0.0068642000000000, 0.0023440400000000, 0.0328371500000000 ] - [ 0.0002847100000000, -0.0074398800000000, 0.0006242400000000 ] - [ -0.0025509900000000, -0.0566092600000000, -0.0138174300000000 ] - [ 0.0020691700000000, -0.0075574700000000, 0.0003975500000000 ] - [ 0.0198722300000000, -0.0011427000000000, 0.0140063100000000 ] - [ -0.0004667700000000, -0.0059954800000000, -0.0000680300000000 ] - [ -0.0031745100000000, -0.0052430200000000, 0.0011692400000000 ] - [ 0.0045281500000000, 0.0032582300000000, -0.0021431400000000 ] - [ -0.0031474400000000, 0.0051969500000000, 0.0012033100000000 ] - [ 0.0005288100000000, -0.0047138000000000, -0.0003891100000000 ] - [ -0.0030187200000000, 0.0047972500000000, -0.0015113700000000 ] - [ 0.0005672700000000, -0.0040141400000000, 0.0006085400000000 ] - [ -0.0012665600000000, 0.0039927200000000, -0.0006601600000000 ] - [ 0.0000439400000000, -0.0032639400000000, -0.0002415700000000 ] - [ 0.0004843100000000, -0.0046306700000000, 0.0009000000000000 ] - [ -0.0018996500000000, 0.0036692500000000, -0.0012769800000000 ] - [ 0.0261623800000000, -0.0012695400000000, 0.0069266200000000 ] - [ -0.0003200700000000, -0.0071753300000000, -0.0007380300000000 ] - [ 0.0040150500000000, 0.0047297000000000, -0.0027693100000000 ] - [ -0.0031818900000000, -0.0054071500000000, 0.0012256600000000 ] - [ -0.0105825800000000, 0.0126039400000000, -0.0007378100000000 ] - [ -0.0021712900000000, 0.0031023100000000, -0.0010844000000000 ] - [ -0.0109082700000000, -0.0061380400000000, -0.0073848300000000 ] - [ 0.0010737400000000, 0.0019895800000000, -0.0001592500000000 ] - [ -0.0018508300000000, 0.0028993100000000, 0.0013662200000000 ] - [ -0.0001534600000000, 0.0093547900000000, 0.0099606900000000 ] - [ -0.0053929400000000, -0.0151319300000000, 0.0152757400000000 ] - [ 0.0005163600000000, 0.0032953400000000, -0.0020991100000000 ] - [ 0.0003330500000000, -0.0270850900000000, -0.0121736900000000 ] - [ 0.0008962000000000, 0.0029921400000000, 0.0011380500000000 ] - [ -0.0019007800000000, 0.0042493500000000, -0.0013169000000000 ] - [ -0.0002382900000000, 0.0057320800000000, -0.0057151700000000 ] - [ -0.0064267800000000, -0.0244517000000000, -0.0187798900000000 ] - [ -0.0001390200000000, 0.0059258300000000, 0.0015223700000000 ] - [ -0.0011561600000000, 0.0008451600000000, -0.0043704900000000 ] - [ -0.0005991500000000, 0.0052362500000000, -0.0011413600000000 ] - [ -0.0078396300000000, -0.0136368300000000, 0.0078176500000000 ] - [ 0.0000284800000000, 0.0021046000000000, -0.0002484600000000 ] - [ 0.0006898700000000, 0.0102878500000000, 0.0126663700000000 ] - [ -0.0005455000000000, 0.0020011800000000, 0.0021379100000000 ] - [ 0.0063142400000000, -0.0046954000000000, -0.0093641700000000 ] - [ -0.0012165200000000, 0.0020472900000000, 0.0003679700000000 ] - [ 0.0101421000000000, 0.0126247700000000, -0.0039635400000000 ] - [ -0.0004014500000000, 0.0021494200000000, -0.0006991300000000 ] - [ 0.0106472100000000, -0.0089865600000000, -0.0002264300000000 ] - [ -0.0012008700000000, 0.0020030400000000, -0.0008476500000000 ] - [ 0.0022148200000000, 0.0019255700000000, 0.0006950400000000 ] - [ -0.0027974300000000, -0.0008824200000000, -0.0007600200000000 ] - [ 0.0007887700000000, 0.0016475200000000, -0.0005596400000000 ] - [ -0.0018326300000000, 0.0001109300000000, 0.0026077800000000 ] - [ -0.0026476800000000, -0.0027172800000000, -0.0069763900000000 ] - [ 0.0001306700000000, 0.0015854300000000, 0.0020358900000000 ] - [ -0.0010134700000000, -0.0044919600000000, 0.0017686700000000 ] - [ 0.0007540900000000, 0.0035923400000000, -0.0008961400000000 ] - [ 0.0004439800000000, 0.0049450000000000, 0.0012503800000000 ] - [ -0.0029526500000000, 0.0009796900000000, -0.0011132400000000 ] - [ 0.0004165200000000, -0.0021109700000000, 0.0009812000000000 ] - [ 0.0007408300000000, 0.0026095500000000, -0.0010457800000000 ] - [ 0.0028722600000000, -0.0028202500000000, -0.0018492100000000 ] - [ -0.0010238200000000, 0.0018542900000000, 0.0010254900000000 ] - [ 0.0005403000000000, -0.0027007100000000, -0.0019814800000000 ] - [ 0.0010047400000000, 0.0016954700000000, 0.0007732600000000 ] - [ 0.0029052700000000, -0.0016611900000000, 0.0016592200000000 ] - [ -0.0007115700000000, 0.0021838700000000, -0.0017770700000000 ] - [ -0.0086958400000000, -0.0025716900000000, -0.0007521400000000 ] - [ 0.0016582200000000, 0.0019938600000000, -0.0006092500000000 ] - [ 0.0012868100000000, 0.0004436200000000, -0.0007244700000000 ] - [ -0.0017284300000000, -0.0001433600000000, 0.0003442500000000 ] - [ 0.0013267500000000, -0.0016516500000000, -0.0000671300000000 ] - [ -0.0008340800000000, 0.0012957700000000, 0.0005083200000000 ] - [ 0.0014020300000000, 0.0012537700000000, -0.0000645800000000 ] - [ -0.0005226200000000, -0.0005928800000000, 0.0005975500000000 ] - [ -0.0001281100000000, -0.0004469600000000, 0.0005745600000000 ] - [ -0.0000075500000000, 0.0015154400000000, 0.0009509900000000 ] - [ 0.0006035800000000, -0.0029283500000000, 0.0019014500000000 ] - [ -0.0011148200000000, 0.0016478900000000, -0.0006214300000000 ] - [ 0.0010876900000000, -0.0023935100000000, -0.0009072700000000 ] - [ -0.0008852600000000, 0.0025729300000000, 0.0008706300000000 ] - [ 0.0001703600000000, -0.0013956200000000, -0.0001280500000000 ] - [ 0.0003649500000000, 0.0011509300000000, -0.0004208800000000 ] - [ 0.0001799000000000, -0.0039728400000000, -0.0008965100000000 ] - [ -0.0003003300000000, 0.0031089700000000, 0.0004500400000000 ] - [ -0.0000144900000000, 0.0027651500000000, -0.0007260300000000 ] - [ 0.0001172500000000, -0.0019055300000000, 0.0003157200000000 ] - [ 0.0003130600000000, -0.0016374600000000, -0.0000203800000000 ] - [ -0.0000374600000000, 0.0010165000000000, -0.0015387100000000 ] - [ -0.0000575300000000, 0.0008183500000000, -0.0013010700000000 ] - [ 0.0006628200000000, -0.0003012600000000, -0.0006160600000000 ] - [ 0.0004350200000000, -0.0016093300000000, 0.0000588700000000 ] - [ 0.0008714400000000, 0.0013464400000000, 0.0007099300000000 ] - [ -0.0020464100000000, 0.0016853300000000, -0.0007179900000000 ] - [ 0.0029641300000000, -0.0011088200000000, 0.0012212100000000 ] - [ -0.0099529300000000, -0.0033804500000000, 0.0031847900000000 ] - [ 0.0011684500000000, 0.0019541100000000, -0.0003376300000000 ] - [ -0.0016236500000000, -0.0001419100000000, 0.0010368400000000 ] - [ 0.0009414900000000, 0.0008457400000000, -0.0000113800000000 ] - [ -0.0038875000000000, -0.0030509500000000, -0.0094691800000000 ] - [ -0.0000234900000000, 0.0019759500000000, 0.0002796300000000 ] - [ -0.0012790200000000, -0.0009573400000000, 0.0011112200000000 ] - [ 0.0009116700000000, 0.0019357500000000, -0.0029340700000000 ] - [ -0.0004715200000000, -0.0046527800000000, 0.0014456200000000 ] - [ 0.0003464100000000, 0.0048074000000000, -0.0014868900000000 ] - [ -0.0037449700000000, -0.0003969000000000, -0.0011338200000000 ] - [ 0.0007226100000000, 0.0051220100000000, 0.0011586100000000 ] - [ 0.0134650700000000, -0.0076692800000000, 0.0120648400000000 ] - [ -0.0013823700000000, 0.0030358500000000, -0.0015358400000000 ] - [ 0.0005708600000000, 0.0039167100000000, 0.0015396000000000 ] - [ 0.0058065600000000, 0.0060667700000000, -0.0014559300000000 ] - [ 0.0086286800000000, -0.0054978400000000, -0.0111191200000000 ] - [ -0.0009787900000000, 0.0033644400000000, 0.0023013300000000 ] - [ 0.0008563900000000, 0.0028518400000000, -0.0015932000000000 ] - [ 0.0101011800000000, 0.0096232300000000, -0.0016453200000000 ] - [ 0.0079492800000000, -0.0103217800000000, 0.0009760600000000 ] - [ -0.0010228100000000, 0.0019871700000000, 0.0001965500000000 ] - [ -0.0029551000000000, -0.0009362200000000, 0.0006005200000000 ] - [ 0.0029046300000000, 0.0026162400000000, 0.0008276200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0083219400000000, 0.0053506500000000, -0.1541760500000000 ] - [ -0.0004199600000000, -0.0003049600000000, -0.0000799000000000 ] - [ -0.0000206000000000, -0.0043007100000000, 0.0085213900000000 ] - [ 0.0003167500000000, -0.0017455700000000, 0.0092768100000000 ] - [ -0.0052742200000000, 0.0033891400000000, 0.0084956700000000 ] - [ 0.0002317700000000, 0.0001148100000000, 0.0006794600000000 ] - [ 0.0039490300000000, -0.0000003400000000, -0.0022926100000000 ] - [ 0.0005019100000000, -0.0014920100000000, -0.0022889700000000 ] - [ 0.0030732700000000, 0.0019175900000000, -0.0023052500000000 ] - [ -0.0000290400000000, 0.0002237200000000, -0.0004590600000000 ] - [ -0.0001770000000000, -0.0009916900000000, 0.0002778900000000 ] - [ -0.0006653000000000, 0.0003395700000000, 0.0002768900000000 ] - [ 0.0074995600000000, 0.0031422800000000, 0.0141127700000000 ] - [ 0.0002221100000000, -0.0004342900000000, -0.0000443500000000 ] - [ -0.0043692900000000, -0.0000771800000000, -0.0027225100000000 ] - [ -0.0001946000000000, -0.0023109300000000, -0.0092367800000000 ] - [ -0.0312783000000000, -0.0344350000000000, 0.0417764800000000 ] - [ 0.0001418700000000, 0.0007466000000000, 0.0005755200000000 ] - [ 0.0005516200000000, -0.0011442400000000, -0.0013243300000000 ] - [ 0.0246590000000000, 0.0297753600000000, 0.0200814900000000 ] - [ 0.0039544500000000, -0.0185705500000000, 0.0622761700000000 ] - [ 0.0001051700000000, 0.0000631200000000, 0.0002059900000000 ] - [ 0.0010465100000000, 0.0384324600000000, 0.0056320500000000 ] - [ 0.0005641700000000, -0.0007334300000000, -0.0006750900000000 ] - [ 0.0162082400000000, -0.0069728200000000, 0.0062352200000000 ] - [ 0.0000160800000000, 0.0012473000000000, 0.0005011500000000 ] - [ -0.0006526700000000, -0.0012787300000000, -0.0005088900000000 ] - [ -0.0010045100000000, 0.0035149500000000, 0.0016470700000000 ] - [ -0.0022425600000000, -0.0019568500000000, -0.0020274800000000 ] - [ 0.0001363900000000, -0.0000603700000000, -0.0002021700000000 ] - [ 0.0012774100000000, -0.0002404000000000, 0.0012859000000000 ] - [ 0.0002979300000000, 0.0000566400000000, 0.0004257200000000 ] - [ -0.0000874700000000, 0.0011857100000000, 0.0018229000000000 ] - [ 0.0001085100000000, 0.0000454200000000, -0.0001829100000000 ] - [ 0.0005144900000000, -0.0005630000000000, -0.0008695700000000 ] - [ 0.0008900900000000, 0.0002993200000000, -0.0015896700000000 ] - [ 0.0127524200000000, -0.0061550600000000, -0.0015975100000000 ] - [ -0.0001688100000000, 0.0000048300000000, -0.0003711500000000 ] - [ 0.0002589600000000, -0.0002060400000000, 0.0018083400000000 ] - [ -0.0007920900000000, -0.0002933800000000, 0.0010845100000000 ] - [ 0.0075194400000000, -0.0086356100000000, 0.0009026300000000 ] - [ -0.0003129500000000, 0.0005701700000000, 0.0003400600000000 ] - [ -0.0113064200000000, -0.0014782600000000, -0.0132036400000000 ] - [ -0.0002221600000000, -0.0001482800000000, -0.0003957800000000 ] - [ -0.0008475900000000, 0.0006875200000000, 0.0001573200000000 ] - [ 0.0002824200000000, -0.0084517200000000, -0.0095862800000000 ] - [ -0.0050110700000000, -0.0100997300000000, 0.0239589600000000 ] - [ -0.0004325300000000, 0.0001998500000000, -0.0004863300000000 ] - [ -0.0012832100000000, 0.0115398900000000, 0.0130508900000000 ] - [ 0.0000093000000000, -0.0001865600000000, 0.0003078900000000 ] - [ -0.0004097800000000, 0.0008979700000000, -0.0009879200000000 ] - [ -0.0018449100000000, 0.0125657800000000, -0.0126020600000000 ] - [ 0.0039551200000000, 0.0106401900000000, 0.0162767800000000 ] - [ -0.0001847100000000, 0.0008090000000000, 0.0003482000000000 ] - [ -0.0015091200000000, 0.0138481300000000, -0.0116721100000000 ] - [ -0.0001233300000000, -0.0002366500000000, -0.0002075600000000 ] - [ -0.0143219100000000, -0.0130408300000000, 0.0204451500000000 ] - [ -0.0000000400000000, 0.0000728600000000, 0.0010004800000000 ] - [ -0.0001779800000000, -0.0069802000000000, -0.0071192400000000 ] - [ -0.0000598700000000, 0.0004732600000000, 0.0009155300000000 ] - [ 0.0090065200000000, -0.0027620300000000, -0.0152959700000000 ] - [ 0.0002219600000000, -0.0001448100000000, -0.0003566500000000 ] - [ -0.0065027300000000, -0.0090454000000000, 0.0037051500000000 ] - [ 0.0000300500000000, 0.0001925200000000, 0.0001715100000000 ] - [ 0.0080628400000000, -0.0022343000000000, 0.0043151300000000 ] - [ -0.0001048500000000, -0.0001092000000000, -0.0002602400000000 ] - [ 0.0004828000000000, 0.0006984900000000, -0.0002735500000000 ] - [ -0.0009025900000000, -0.0009854000000000, -0.0015095200000000 ] - [ 0.0001119200000000, 0.0001808000000000, 0.0016925900000000 ] - [ 0.0007702500000000, -0.0009411200000000, 0.0013850700000000 ] - [ -0.0032226500000000, -0.0002913700000000, -0.0024585100000000 ] - [ -0.0000402300000000, -0.0002781600000000, 0.0006889100000000 ] - [ 0.0009474400000000, -0.0025133100000000, -0.0005974900000000 ] - [ 0.0002178200000000, 0.0001047000000000, 0.0002111500000000 ] - [ -0.0000704800000000, -0.0003459800000000, 0.0000495900000000 ] - [ -0.0018823300000000, 0.0043616800000000, 0.0004128300000000 ] - [ 0.0000213900000000, 0.0009594200000000, -0.0012935200000000 ] - [ 0.0001514600000000, 0.0005486300000000, -0.0002306200000000 ] - [ 0.0004394000000000, 0.0007569200000000, 0.0010651800000000 ] - [ 0.0000597100000000, -0.0003627700000000, 0.0001489200000000 ] - [ 0.0022095800000000, 0.0006292000000000, 0.0001636300000000 ] - [ 0.0004180200000000, -0.0002033300000000, -0.0003316500000000 ] - [ -0.0004801500000000, 0.0006227300000000, -0.0009744900000000 ] - [ 0.0002503800000000, 0.0004492200000000, -0.0005126000000000 ] - [ -0.0052829700000000, -0.0007733400000000, -0.0002658300000000 ] - [ -0.0000913600000000, -0.0001518000000000, -0.0003368300000000 ] - [ 0.0001968200000000, 0.0001140300000000, -0.0002859400000000 ] - [ 0.0012055300000000, -0.0010848100000000, -0.0007648800000000 ] - [ 0.0005780100000000, -0.0004258200000000, -0.0004397500000000 ] - [ -0.0002130900000000, 0.0001634700000000, 0.0003358700000000 ] - [ -0.0007647500000000, -0.0002171400000000, 0.0006511900000000 ] - [ -0.0008128200000000, -0.0003010500000000, 0.0008265600000000 ] - [ -0.0008368700000000, -0.0000055600000000, -0.0002509900000000 ] - [ -0.0005468100000000, 0.0000670200000000, 0.0000827700000000 ] - [ -0.0001176500000000, -0.0005463500000000, 0.0013857700000000 ] - [ -0.0004432400000000, -0.0002562600000000, 0.0004451800000000 ] - [ -0.0005528300000000, 0.0006272900000000, 0.0001207000000000 ] - [ -0.0002420700000000, 0.0005384800000000, 0.0000769600000000 ] - [ 0.0003641900000000, 0.0003561400000000, -0.0000542300000000 ] - [ -0.0002392100000000, -0.0006561900000000, 0.0002058200000000 ] - [ -0.0004677300000000, -0.0006391000000000, 0.0002219100000000 ] - [ -0.0002067500000000, -0.0002495600000000, -0.0000546100000000 ] - [ -0.0001123100000000, 0.0006289800000000, -0.0002948600000000 ] - [ -0.0000354200000000, -0.0000882700000000, -0.0005555600000000 ] - [ 0.0002654200000000, -0.0002626200000000, -0.0017862900000000 ] - [ 0.0000108100000000, -0.0000324900000000, -0.0010433600000000 ] - [ -0.0000818000000000, 0.0003171100000000, -0.0005746600000000 ] - [ -0.0003449300000000, -0.0000542800000000, -0.0004446000000000 ] - [ -0.0009760200000000, -0.0007547600000000, -0.0011799200000000 ] - [ 0.0002117400000000, 0.0001312900000000, 0.0002967400000000 ] - [ 0.0004092700000000, -0.0000193300000000, 0.0005625200000000 ] - [ 0.0003304100000000, -0.0002697600000000, 0.0010946400000000 ] - [ -0.0054187400000000, -0.0010121900000000, 0.0025584100000000 ] - [ -0.0002320600000000, -0.0001540500000000, 0.0003689900000000 ] - [ -0.0001844300000000, 0.0001184100000000, -0.0000434700000000 ] - [ 0.0002791800000000, -0.0001307300000000, -0.0001981600000000 ] - [ -0.0017158700000000, 0.0007216500000000, -0.0010507700000000 ] - [ 0.0000101300000000, 0.0001046200000000, -0.0008777300000000 ] - [ 0.0002435900000000, 0.0001596300000000, -0.0021710000000000 ] - [ 0.0001554300000000, 0.0005556500000000, -0.0012424500000000 ] - [ -0.0003473100000000, 0.0012748700000000, -0.0018026300000000 ] - [ 0.0002248700000000, 0.0006656400000000, -0.0003969800000000 ] - [ -0.0012425800000000, 0.0041633600000000, 0.0010733100000000 ] - [ 0.0001384400000000, -0.0002243000000000, 0.0002141900000000 ] - [ -0.0069834200000000, -0.0008325900000000, -0.0071055100000000 ] - [ -0.0000246100000000, -0.0002273300000000, 0.0001812200000000 ] - [ 0.0003076700000000, 0.0000828600000000, -0.0001248900000000 ] - [ 0.0112460600000000, 0.0136648400000000, 0.0014750700000000 ] - [ 0.0105238800000000, -0.0030458900000000, -0.0160146700000000 ] - [ 0.0005262800000000, 0.0000508600000000, 0.0001287100000000 ] - [ 0.0004188700000000, -0.0002415700000000, 0.0010317000000000 ] - [ -0.0082453700000000, -0.0101337300000000, 0.0054534100000000 ] - [ 0.0012904100000000, -0.0002305500000000, 0.0058844400000000 ] - [ 0.0003067300000000, -0.0001663700000000, 0.0004415400000000 ] - [ -0.0003668400000000, 0.0003251700000000, -0.0007593800000000 ] - [ 0.0003925600000000, 0.0004406000000000, -0.0004005900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0080325700000000, -0.0056331300000000, 0.1554669800000000 ] - [ -0.0000083900000000, -0.0002004000000000, 0.0007631500000000 ] - [ -0.0004098400000000, 0.0048400800000000, -0.0078667700000000 ] - [ -0.0007370300000000, 0.0022194600000000, -0.0085885000000000 ] - [ 0.0057653700000000, -0.0029051500000000, -0.0078496800000000 ] - [ 0.0002005400000000, 0.0003886900000000, 0.0000018400000000 ] - [ -0.0035276400000000, -0.0005075400000000, 0.0029833900000000 ] - [ -0.0000747100000000, 0.0010179600000000, 0.0029895500000000 ] - [ -0.0035051100000000, -0.0014151500000000, 0.0016179300000000 ] - [ -0.0004020300000000, 0.0002762100000000, -0.0002238700000000 ] - [ -0.0002533500000000, 0.0004886100000000, -0.0009573000000000 ] - [ 0.0002352900000000, -0.0008433900000000, -0.0009572500000000 ] - [ -0.0071778100000000, -0.0036340300000000, -0.0147732900000000 ] - [ 0.0002046600000000, -0.0000721800000000, -0.0006390300000000 ] - [ 0.0048006900000000, 0.0005492400000000, 0.0020219700000000 ] - [ 0.0006149400000000, 0.0028001300000000, 0.0085380500000000 ] - [ 0.0311027600000000, 0.0346526200000000, -0.0415516400000000 ] - [ -0.0001461900000000, -0.0002688300000000, -0.0005815400000000 ] - [ -0.0005596900000000, 0.0006577300000000, 0.0013364500000000 ] - [ -0.0247051300000000, -0.0303959400000000, -0.0200603800000000 ] - [ -0.0035809700000000, 0.0181881300000000, -0.0620647300000000 ] - [ 0.0001494600000000, -0.0007328400000000, 0.0004095700000000 ] - [ -0.0007871800000000, -0.0377705900000000, -0.0050552900000000 ] - [ -0.0002993600000000, 0.0013960100000000, 0.0012771900000000 ] - [ -0.0166185400000000, 0.0077181400000000, -0.0058639700000000 ] - [ -0.0002651900000000, -0.0005896900000000, 0.0001099400000000 ] - [ 0.0004088400000000, 0.0006190600000000, 0.0011291600000000 ] - [ 0.0007635600000000, -0.0042057700000000, -0.0010144700000000 ] - [ 0.0022627200000000, 0.0014783100000000, 0.0020546300000000 ] - [ -0.0001368500000000, -0.0004219300000000, 0.0002062100000000 ] - [ -0.0012713700000000, 0.0007242300000000, -0.0013035200000000 ] - [ -0.0003002600000000, 0.0004281700000000, -0.0004320700000000 ] - [ 0.0003294100000000, -0.0005245600000000, -0.0024569900000000 ] - [ 0.0001406700000000, 0.0006178400000000, -0.0004328800000000 ] - [ -0.0002584500000000, -0.0001063700000000, 0.0002602900000000 ] - [ -0.0006532600000000, -0.0009472700000000, 0.0009791100000000 ] - [ -0.0127820000000000, 0.0054105600000000, 0.0010708600000000 ] - [ -0.0000842100000000, -0.0006725100000000, -0.0002398300000000 ] - [ -0.0005293100000000, 0.0008958200000000, -0.0024371100000000 ] - [ 0.0005317900000000, 0.0009503900000000, -0.0016956700000000 ] - [ -0.0079282300000000, 0.0088513700000000, -0.0016571500000000 ] - [ -0.0000877200000000, -0.0003667200000000, -0.0010953000000000 ] - [ 0.0109545400000000, 0.0012517700000000, 0.0125221800000000 ] - [ -0.0001675500000000, -0.0000469700000000, -0.0003588600000000 ] - [ -0.0000290300000000, -0.0010995700000000, -0.0008905800000000 ] - [ -0.0011613300000000, 0.0080440500000000, 0.0088335400000000 ] - [ 0.0032912300000000, 0.0092458300000000, -0.0230356400000000 ] - [ -0.0004484600000000, 0.0002089100000000, -0.0002383300000000 ] - [ 0.0007209300000000, -0.0132737700000000, -0.0136332500000000 ] - [ -0.0003280100000000, -0.0007529800000000, -0.0005090900000000 ] - [ 0.0000927700000000, 0.0000411100000000, 0.0007938500000000 ] - [ 0.0015351600000000, -0.0116117700000000, 0.0124026900000000 ] - [ -0.0040904200000000, -0.0091949800000000, -0.0156111900000000 ] - [ -0.0000891200000000, -0.0001182300000000, -0.0000130100000000 ] - [ 0.0012149800000000, -0.0145825500000000, 0.0120242000000000 ] - [ -0.0001492200000000, -0.0004432100000000, 0.0005394400000000 ] - [ 0.0151296500000000, 0.0144515800000000, -0.0205340400000000 ] - [ 0.0000064600000000, 0.0001414600000000, 0.0008814000000000 ] - [ 0.0001874400000000, 0.0067982200000000, 0.0090569300000000 ] - [ 0.0000639600000000, -0.0006794000000000, 0.0009740500000000 ] - [ -0.0087394900000000, 0.0026259500000000, 0.0147035700000000 ] - [ 0.0000935000000000, 0.0000351900000000, -0.0002558700000000 ] - [ 0.0068423800000000, 0.0091843200000000, -0.0043342900000000 ] - [ 0.0002796800000000, -0.0000831700000000, -0.0007801200000000 ] - [ -0.0083620900000000, 0.0023347400000000, -0.0050252500000000 ] - [ -0.0002207400000000, 0.0002260000000000, -0.0003556500000000 ] - [ -0.0008123900000000, -0.0008174000000000, -0.0003432700000000 ] - [ 0.0005766100000000, 0.0008775100000000, 0.0008941700000000 ] - [ -0.0001221200000000, 0.0000306300000000, 0.0001844700000000 ] - [ -0.0007831300000000, 0.0011586300000000, 0.0004819300000000 ] - [ 0.0032116700000000, 0.0000949600000000, 0.0044532500000000 ] - [ 0.0000294700000000, 0.0000701500000000, 0.0011952500000000 ] - [ -0.0006868900000000, 0.0018371200000000, 0.0009320200000000 ] - [ 0.0000499000000000, -0.0007924900000000, 0.0001212700000000 ] - [ 0.0003402300000000, 0.0010352900000000, 0.0002833500000000 ] - [ 0.0021828000000000, -0.0037422900000000, -0.0000591400000000 ] - [ 0.0002850000000000, -0.0000311900000000, 0.0011079900000000 ] - [ 0.0001642300000000, 0.0003931800000000, 0.0000326000000000 ] - [ -0.0001213000000000, -0.0017012500000000, -0.0012738500000000 ] - [ 0.0002596500000000, -0.0005810800000000, -0.0003533600000000 ] - [ -0.0013433800000000, -0.0010451300000000, -0.0009001400000000 ] - [ 0.0004614200000000, -0.0002010900000000, -0.0003937400000000 ] - [ 0.0013605900000000, -0.0002149500000000, 0.0002498600000000 ] - [ 0.0006312800000000, -0.0000472700000000, -0.0002079400000000 ] - [ 0.0057391900000000, 0.0009696100000000, -0.0004626500000000 ] - [ 0.0004850400000000, 0.0003508100000000, -0.0004184100000000 ] - [ 0.0001947900000000, -0.0003119100000000, -0.0004694800000000 ] - [ -0.0008225900000000, 0.0008958900000000, 0.0000101800000000 ] - [ -0.0009730400000000, 0.0006248700000000, 0.0012006100000000 ] - [ -0.0001805700000000, 0.0000360300000000, 0.0004205000000000 ] - [ 0.0003754000000000, 0.0000202300000000, 0.0001019400000000 ] - [ 0.0004240700000000, 0.0001019900000000, -0.0000754300000000 ] - [ -0.0000406700000000, 0.0004109100000000, 0.0009804700000000 ] - [ -0.0003324900000000, 0.0003406700000000, 0.0006448900000000 ] - [ -0.0007724900000000, 0.0001502700000000, -0.0006780800000000 ] - [ -0.0004347500000000, -0.0001504100000000, 0.0002804600000000 ] - [ 0.0002284300000000, 0.0003235400000000, 0.0000915800000000 ] - [ -0.0000724200000000, 0.0004020100000000, 0.0001225200000000 ] - [ -0.0006836700000000, -0.0012994900000000, 0.0002508600000000 ] - [ -0.0000763500000000, -0.0002814100000000, -0.0000074500000000 ] - [ 0.0002018800000000, -0.0000590900000000, -0.0005601100000000 ] - [ -0.0000612000000000, -0.0004321200000000, -0.0002777400000000 ] - [ -0.0001543600000000, 0.0000582300000000, -0.0000390600000000 ] - [ -0.0002335400000000, 0.0007780200000000, 0.0002260300000000 ] - [ -0.0002519100000000, 0.0000477800000000, -0.0000813000000000 ] - [ 0.0000015900000000, -0.0001791000000000, -0.0008411200000000 ] - [ 0.0000929500000000, -0.0001083900000000, -0.0013145500000000 ] - [ 0.0003568600000000, 0.0002631200000000, -0.0014474600000000 ] - [ 0.0013097100000000, 0.0008710300000000, 0.0017978000000000 ] - [ 0.0001155600000000, -0.0000167300000000, 0.0003196700000000 ] - [ -0.0000925500000000, -0.0000901300000000, 0.0000496900000000 ] - [ -0.0000007800000000, 0.0001538200000000, -0.0004788900000000 ] - [ 0.0050337500000000, 0.0008953800000000, -0.0019360400000000 ] - [ -0.0000820500000000, 0.0000416100000000, 0.0002422900000000 ] - [ -0.0001269100000000, -0.0000107800000000, 0.0006566100000000 ] - [ -0.0005947100000000, 0.0002465700000000, 0.0008126600000000 ] - [ 0.0016762400000000, -0.0005219300000000, -0.0009197100000000 ] - [ -0.0000151900000000, 0.0001068800000000, -0.0010019400000000 ] - [ -0.0002504200000000, -0.0003762200000000, 0.0003034800000000 ] - [ -0.0001599600000000, -0.0007635700000000, -0.0006391700000000 ] - [ 0.0006285700000000, -0.0006093200000000, 0.0014742600000000 ] - [ 0.0000494400000000, 0.0000279100000000, 0.0000634300000000 ] - [ 0.0014788800000000, -0.0047922700000000, -0.0014060000000000 ] - [ 0.0001351500000000, -0.0004557200000000, -0.0005460400000000 ] - [ 0.0073088200000000, -0.0000905900000000, 0.0072922700000000 ] - [ 0.0003442600000000, -0.0007130400000000, 0.0000172000000000 ] - [ 0.0000107800000000, 0.0008652600000000, 0.0003288000000000 ] - [ -0.0109046500000000, -0.0126874000000000, -0.0012746700000000 ] - [ -0.0096374900000000, 0.0034739800000000, 0.0167411500000000 ] - [ 0.0003554700000000, 0.0003557200000000, 0.0005971300000000 ] - [ 0.0004625100000000, -0.0001595900000000, -0.0003113200000000 ] - [ 0.0091121400000000, 0.0097254300000000, -0.0047273500000000 ] - [ -0.0007939000000000, -0.0000091400000000, -0.0050849000000000 ] - [ 0.0000878900000000, -0.0000314500000000, 0.0003143000000000 ] - [ 0.0007682900000000, -0.0001313900000000, 0.0015212500000000 ] - [ 0.0000067000000000, -0.0002369900000000, 0.0011574000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0063749800000000, 0.0202370100000000, -0.0308946400000000 ] - [ -0.0020727300000000, -0.0011473400000000, 0.0004800800000000 ] - [ -0.0022272200000000, 0.0008333900000000, 0.0008962100000000 ] - [ 0.0042223100000000, -0.0351111000000000, 0.0250583100000000 ] - [ 0.0078216400000000, 0.0034206000000000, 0.0026115200000000 ] - [ 0.0016804300000000, -0.0002753400000000, 0.0002050600000000 ] - [ 0.0018764200000000, 0.0003197800000000, 0.0000412400000000 ] - [ 0.0059610700000000, -0.0032924100000000, -0.0009444900000000 ] - [ 0.0073907800000000, -0.0028804000000000, 0.0018922000000000 ] - [ 0.0012560400000000, 0.0007792500000000, -0.0004770300000000 ] - [ 0.0014500900000000, -0.0008141200000000, -0.0006376400000000 ] - [ 0.0055287900000000, 0.0027492100000000, -0.0016091700000000 ] - [ 0.0068749400000000, -0.0206743200000000, -0.0314838900000000 ] - [ -0.0016307800000000, 0.0006484500000000, -0.0001944700000000 ] - [ -0.0017869100000000, -0.0003271200000000, 0.0002163400000000 ] - [ 0.0046964100000000, 0.0355377000000000, 0.0243027500000000 ] - [ -0.7318544299999999, 0.0032386600000000, 0.0062873200000000 ] - [ -0.0009454900000000, 0.0002435800000000, 0.0000701400000000 ] - [ -0.0008903900000000, -0.0002387800000000, -0.0002068600000000 ] - [ -0.0267363900000000, -0.0002486300000000, 0.0052346600000000 ] - [ -0.0111839800000000, 0.0006699800000000, -0.0031935400000000 ] - [ -0.0009959200000000, -0.0065122700000000, 0.0008131600000000 ] - [ -0.0010737500000000, 0.0089402700000000, 0.0015703200000000 ] - [ -0.0111175300000000, -0.0037148300000000, -0.0116150000000000 ] - [ 0.0137784200000000, 0.0001067700000000, -0.0014684800000000 ] - [ 0.0006162600000000, 0.0005319400000000, 0.0001907500000000 ] - [ 0.0005723200000000, -0.0005211900000000, 0.0000860600000000 ] - [ 0.0096710300000000, 0.0010378200000000, 0.0048261400000000 ] - [ 0.0026864300000000, -0.0002296600000000, 0.0003331300000000 ] - [ 0.0026695800000000, -0.0002489700000000, -0.0004480700000000 ] - [ 0.0033155700000000, 0.0002565400000000, -0.0005781900000000 ] - [ 0.0033165800000000, 0.0002302600000000, 0.0009288500000000 ] - [ 0.0139718600000000, 0.0005669800000000, -0.0020185000000000 ] - [ 0.0008663600000000, 0.0001429600000000, -0.0004227100000000 ] - [ 0.0008229100000000, -0.0001451300000000, -0.0005273200000000 ] - [ 0.0099267700000000, -0.0017309200000000, 0.0042043300000000 ] - [ -0.0113768200000000, -0.0013318900000000, -0.0038435000000000 ] - [ -0.0012326700000000, 0.0058722200000000, 0.0001967800000000 ] - [ -0.0013101100000000, -0.0082845300000000, 0.0009570000000000 ] - [ -0.0113182500000000, 0.0043714500000000, -0.0122357000000000 ] - [ 0.0022672900000000, -0.0018777700000000, -0.0001591100000000 ] - [ 0.0116270300000000, -0.0043555000000000, 0.0023341900000000 ] - [ 0.0093841600000000, 0.0037106400000000, 0.0034413200000000 ] - [ 0.0020152600000000, 0.0015512000000000, -0.0000737400000000 ] - [ -0.0000834800000000, -0.0003213600000000, -0.0004512400000000 ] - [ 0.0079431500000000, -0.0036406000000000, -0.0113796400000000 ] - [ 0.1511517300000000, 0.0884653300000000, -0.0929775400000000 ] - [ -0.0000334900000000, 0.0004081200000000, -0.0005692200000000 ] - [ 0.0075577700000000, 0.0045998900000000, 0.0067309200000000 ] - [ 0.0002836300000000, -0.0002249200000000, 0.0000820600000000 ] - [ 0.0002593500000000, 0.0002976400000000, -0.0000377100000000 ] - [ 0.2017614800000000, -0.1024816300000000, 0.0940040000000000 ] - [ -0.0004749700000000, -0.0073748800000000, -0.0012236200000000 ] - [ 0.0019205600000000, 0.0019458100000000, 0.0023430400000000 ] - [ 0.0017280200000000, -0.0011988100000000, 0.0010062400000000 ] - [ -0.0001150700000000, 0.0074039200000000, -0.0029477000000000 ] - [ 0.0015252400000000, -0.0023988600000000, 0.0075095400000000 ] - [ 0.0001829800000000, 0.0017222800000000, -0.0005749300000000 ] - [ 0.0002590600000000, -0.0018741900000000, -0.0007697600000000 ] - [ 0.0005520200000000, 0.0062434000000000, 0.0090874700000000 ] - [ 0.0021722100000000, -0.0017687600000000, -0.0013728000000000 ] - [ -0.0007037000000000, 0.0013932500000000, 0.0000722800000000 ] - [ -0.0011854800000000, -0.0020592600000000, 0.0002956600000000 ] - [ 0.0014831100000000, 0.0013609800000000, 0.0009910300000000 ] - [ -0.0068984800000000, 0.0006269000000000, -0.0005183600000000 ] - [ -0.0002984000000000, 0.0001303000000000, -0.0003495900000000 ] - [ -0.0002328600000000, -0.0000864200000000, -0.0003296500000000 ] - [ -0.0072321800000000, -0.0013731400000000, -0.0045946500000000 ] - [ -0.0001664500000000, 0.0000520000000000, 0.0011201400000000 ] - [ -0.0016873900000000, 0.0004615600000000, -0.0008171000000000 ] - [ -0.0047323900000000, -0.0012716300000000, 0.0007192400000000 ] - [ -0.0001799700000000, -0.0000665200000000, 0.0010281000000000 ] - [ -0.0021320800000000, -0.0015560900000000, -0.0003370400000000 ] - [ -0.0000391800000000, -0.0001959300000000, 0.0001725100000000 ] - [ -0.0000544100000000, 0.0001661100000000, 0.0001496100000000 ] - [ -0.0030336100000000, 0.0021341200000000, 0.0015927100000000 ] - [ -0.0014497300000000, -0.0005959800000000, 0.0004994000000000 ] - [ -0.0008193500000000, 0.0002239700000000, 0.0000732600000000 ] - [ -0.0006894500000000, -0.0002188200000000, 0.0001732100000000 ] - [ -0.0011405900000000, 0.0004516000000000, 0.0005758200000000 ] - [ -0.0008891400000000, -0.0009615700000000, -0.0012222900000000 ] - [ -0.0002802600000000, -0.0003844400000000, -0.0005810700000000 ] - [ -0.0004475200000000, 0.0004553600000000, -0.0006424900000000 ] - [ -0.0010745600000000, 0.0011213000000000, -0.0012996200000000 ] - [ -0.0074510000000000, -0.0018087600000000, 0.0009489000000000 ] - [ -0.0005030200000000, -0.0001522100000000, -0.0002428600000000 ] - [ -0.0005067900000000, 0.0001519100000000, -0.0002220800000000 ] - [ -0.0054929600000000, 0.0010153100000000, -0.0000073800000000 ] - [ -0.0077734700000000, 0.0019792100000000, 0.0016751200000000 ] - [ -0.0008500100000000, 0.0003346400000000, 0.0005005900000000 ] - [ -0.0008525600000000, -0.0003353700000000, 0.0005212500000000 ] - [ -0.0058406700000000, -0.0011899400000000, 0.0007363200000000 ] - [ -0.0013460900000000, -0.0000787600000000, 0.0000564000000000 ] - [ -0.0019673800000000, -0.0007254200000000, -0.0005937100000000 ] - [ -0.0017825600000000, 0.0005631200000000, -0.0005121600000000 ] - [ -0.0011763000000000, 0.0000013400000000, 0.0001212300000000 ] - [ -0.0017913500000000, 0.0015483500000000, 0.0007201500000000 ] - [ -0.0011705400000000, 0.0007572500000000, 0.0003034200000000 ] - [ -0.0010419900000000, -0.0007631400000000, 0.0004030800000000 ] - [ -0.0014821300000000, -0.0014091900000000, 0.0007948200000000 ] - [ -0.0024011600000000, 0.0008269000000000, -0.0006745900000000 ] - [ -0.0003074100000000, -0.0005480200000000, -0.0001732400000000 ] - [ -0.0003222500000000, 0.0005703200000000, -0.0001953300000000 ] - [ -0.0032852100000000, -0.0013749100000000, 0.0012249900000000 ] - [ -0.0046964400000000, 0.0010335600000000, -0.0011207000000000 ] - [ -0.0001832300000000, -0.0001567400000000, -0.0007988700000000 ] - [ -0.0001711800000000, 0.0001693300000000, -0.0007066600000000 ] - [ -0.0016941000000000, -0.0002327800000000, -0.0026393100000000 ] - [ -0.0066337500000000, -0.0005653800000000, 0.0000145100000000 ] - [ -0.0000261900000000, -0.0000416100000000, 0.0002270000000000 ] - [ 0.0000388200000000, -0.0000032000000000, 0.0002474200000000 ] - [ -0.0069825400000000, 0.0013105900000000, -0.0040115100000000 ] - [ 0.0018722400000000, 0.0016581500000000, -0.0007695800000000 ] - [ -0.0009852000000000, -0.0014918800000000, 0.0006543700000000 ] - [ -0.0014673900000000, 0.0021548500000000, 0.0008766100000000 ] - [ 0.0011883500000000, -0.0012541600000000, 0.0015765300000000 ] - [ 0.0015207700000000, 0.0026324400000000, 0.0057198800000000 ] - [ 0.0001865000000000, -0.0015099800000000, -0.0024106000000000 ] - [ 0.0002617000000000, 0.0016539400000000, -0.0025985600000000 ] - [ 0.0005364700000000, -0.0064642400000000, 0.0072815600000000 ] - [ -0.0002156400000000, 0.0081306400000000, -0.0015790200000000 ] - [ 0.0021833500000000, -0.0012016500000000, 0.0019970400000000 ] - [ 0.0019885700000000, 0.0004551800000000, 0.0006674100000000 ] - [ 0.0001521400000000, -0.0081931200000000, -0.0033140100000000 ] - [ 0.0078997100000000, -0.0055706000000000, 0.0069666200000000 ] - [ 0.0006337700000000, -0.0007473800000000, 0.0003093000000000 ] - [ 0.0006060000000000, 0.0006720400000000, 0.0001859900000000 ] - [ 0.1964010700000000, 0.0964470200000000, 0.0880908900000000 ] - [ 0.1501905300000000, -0.0840254100000000, -0.0878386700000000 ] - [ 0.0008632500000000, -0.0000223600000000, 0.0001324900000000 ] - [ 0.0008112600000000, -0.0000652400000000, 0.0002530700000000 ] - [ 0.0088380200000000, 0.0032579800000000, -0.0106925600000000 ] - [ 0.0097081600000000, -0.0038846400000000, 0.0041810800000000 ] - [ 0.0023662200000000, -0.0017408200000000, 0.0006706200000000 ] - [ 0.0026130800000000, 0.0020618300000000, 0.0005842100000000 ] - [ 0.0119461300000000, 0.0045265400000000, 0.0030824800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0161361500000000, 0.0145399700000000, -0.0342654500000000 ] - [ -0.0005308400000000, 0.0075944400000000, 0.0008468200000000 ] - [ 0.0008052900000000, 0.0077443100000000, 0.0012459300000000 ] - [ -0.0160682700000000, 0.0289665900000000, -0.0296763400000000 ] - [ 0.0025714900000000, -0.0052156700000000, 0.0020605100000000 ] - [ -0.0010985000000000, 0.0047303500000000, 0.0001622000000000 ] - [ 0.0021937100000000, 0.0040056800000000, 0.0001565800000000 ] - [ -0.0026475200000000, -0.0048130500000000, -0.0001439400000000 ] - [ -0.0025714900000000, -0.0052156700000000, -0.0020605100000000 ] - [ 0.0010985000000000, 0.0047303500000000, -0.0001622000000000 ] - [ -0.0021937100000000, 0.0040056800000000, -0.0001565800000000 ] - [ 0.0026475200000000, -0.0048130500000000, 0.0001439400000000 ] - [ -0.0161361500000000, 0.0145399700000000, 0.0342654500000000 ] - [ 0.0005308400000000, 0.0075944400000000, -0.0008468200000000 ] - [ -0.0008052900000000, 0.0077443100000000, -0.0012459300000000 ] - [ 0.0160682700000000, 0.0289665900000000, 0.0296763400000000 ] - [ 0.0000000000000000, -0.7519902600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0078457800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0070032500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0334884200000000, 0.0000000000000000 ] - [ 0.0094343400000000, 0.0043067900000000, -0.0005724500000000 ] - [ -0.0010610000000000, 0.0072004500000000, -0.0000738600000000 ] - [ 0.0017562700000000, 0.0119992200000000, 0.0006778500000000 ] - [ -0.0122125300000000, 0.0103026600000000, 0.0079254100000000 ] - [ 0.0086501400000000, -0.0118766500000000, 0.0050327100000000 ] - [ -0.0008796200000000, 0.0054609900000000, 0.0002498200000000 ] - [ 0.0006808600000000, 0.0045632700000000, 0.0003830200000000 ] - [ -0.0069976300000000, -0.0099562700000000, -0.0047572200000000 ] - [ 0.0000000000000000, 0.0000566900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017297600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016092100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016229700000000, 0.0000000000000000 ] - [ -0.0086501400000000, -0.0118766500000000, -0.0050327100000000 ] - [ 0.0008796200000000, 0.0054609900000000, -0.0002498200000000 ] - [ -0.0006808600000000, 0.0045632700000000, -0.0003830200000000 ] - [ 0.0069976300000000, -0.0099562700000000, 0.0047572200000000 ] - [ -0.0094343400000000, 0.0043067900000000, 0.0005724500000000 ] - [ 0.0010610000000000, 0.0072004500000000, 0.0000738600000000 ] - [ -0.0017562700000000, 0.0119992200000000, -0.0006778500000000 ] - [ 0.0122125300000000, 0.0103026600000000, -0.0079254100000000 ] - [ 0.0012848400000000, -0.0028239700000000, -0.0000091100000000 ] - [ 0.0068712700000000, -0.0064879700000000, -0.0027183900000000 ] - [ -0.0065896400000000, -0.0038454800000000, -0.0040074200000000 ] - [ -0.0011094200000000, -0.0022725100000000, -0.0004466100000000 ] - [ 0.0006142800000000, -0.0032128600000000, -0.0021696100000000 ] - [ -0.0046290500000000, 0.0097002400000000, 0.0106837000000000 ] - [ 0.0909433000000000, 0.1760021400000000, -0.1065896600000000 ] - [ -0.0015500300000000, -0.0028986400000000, 0.0014156200000000 ] - [ 0.0045922300000000, 0.0125020800000000, 0.0092285000000000 ] - [ -0.0014008100000000, -0.0039191300000000, -0.0015538900000000 ] - [ 0.0010870700000000, -0.0030553500000000, 0.0013201500000000 ] - [ -0.1087634600000000, 0.1654034800000000, -0.0792825600000000 ] - [ -0.0017542200000000, -0.0083374600000000, -0.0008573300000000 ] - [ 0.0013641800000000, -0.0066040600000000, -0.0023382800000000 ] - [ -0.0013419300000000, -0.0045730600000000, 0.0014783100000000 ] - [ 0.0009087300000000, -0.0071876300000000, 0.0030479400000000 ] - [ -0.0023838000000000, -0.0012211100000000, 0.0039836400000000 ] - [ 0.0002640600000000, -0.0019950500000000, 0.0023155300000000 ] - [ -0.0003816600000000, -0.0028649400000000, -0.0007744500000000 ] - [ 0.0030425400000000, -0.0051487000000000, -0.0029774700000000 ] - [ -0.0045941900000000, 0.0010855300000000, 0.0009333100000000 ] - [ 0.0022153600000000, -0.0023443500000000, -0.0011680800000000 ] - [ -0.0029785300000000, -0.0034087700000000, 0.0011572900000000 ] - [ 0.0059762400000000, 0.0011355100000000, -0.0035561000000000 ] - [ -0.0106686200000000, 0.0041660200000000, -0.0024159300000000 ] - [ 0.0013815200000000, -0.0018335900000000, 0.0003766400000000 ] - [ -0.0017445300000000, -0.0018653100000000, -0.0010634300000000 ] - [ 0.0084416800000000, 0.0034113900000000, 0.0048566000000000 ] - [ -0.0001539200000000, -0.0011888300000000, 0.0016142600000000 ] - [ 0.0008211900000000, 0.0018383900000000, 0.0023812400000000 ] - [ -0.0014892400000000, 0.0024468600000000, -0.0003305500000000 ] - [ 0.0001234700000000, -0.0014647900000000, 0.0002873900000000 ] - [ 0.0014648600000000, 0.0064719200000000, -0.0006962800000000 ] - [ -0.0000886000000000, -0.0040363600000000, 0.0010219900000000 ] - [ 0.0003185100000000, -0.0034539900000000, -0.0006876800000000 ] - [ -0.0007545900000000, 0.0082344600000000, 0.0010239000000000 ] - [ -0.0001563000000000, 0.0004116800000000, -0.0001922200000000 ] - [ 0.0000906600000000, -0.0006260500000000, 0.0003493500000000 ] - [ 0.0000592800000000, -0.0010740600000000, -0.0002871800000000 ] - [ 0.0005198800000000, -0.0009024800000000, -0.0002574800000000 ] - [ 0.0001850700000000, 0.0000224700000000, -0.0003431400000000 ] - [ 0.0002701500000000, -0.0011703800000000, -0.0008319400000000 ] - [ 0.0004466400000000, -0.0005429900000000, -0.0000168100000000 ] - [ 0.0009117500000000, 0.0000842400000000, -0.0002910900000000 ] - [ -0.0014669000000000, 0.0019330100000000, -0.0008057800000000 ] - [ -0.0004203700000000, -0.0012527100000000, -0.0002658400000000 ] - [ 0.0008551900000000, -0.0014033400000000, -0.0005142400000000 ] - [ 0.0016923300000000, 0.0014189200000000, -0.0000158900000000 ] - [ 0.0014669000000000, 0.0019330100000000, 0.0008057800000000 ] - [ 0.0004203700000000, -0.0012527100000000, 0.0002658400000000 ] - [ -0.0008551900000000, -0.0014033400000000, 0.0005142400000000 ] - [ -0.0016923300000000, 0.0014189200000000, 0.0000158900000000 ] - [ -0.0004466400000000, -0.0005429900000000, 0.0000168100000000 ] - [ -0.0009117500000000, 0.0000842400000000, 0.0002910900000000 ] - [ -0.0001850700000000, 0.0000224700000000, 0.0003431400000000 ] - [ -0.0002701500000000, -0.0011703800000000, 0.0008319400000000 ] - [ 0.0001563000000000, 0.0004116800000000, 0.0001922200000000 ] - [ -0.0000906600000000, -0.0006260500000000, -0.0003493500000000 ] - [ -0.0000592800000000, -0.0010740600000000, 0.0002871800000000 ] - [ -0.0005198800000000, -0.0009024800000000, 0.0002574800000000 ] - [ -0.0014648600000000, 0.0064719200000000, 0.0006962800000000 ] - [ 0.0000886000000000, -0.0040363600000000, -0.0010219900000000 ] - [ -0.0003185100000000, -0.0034539900000000, 0.0006876800000000 ] - [ 0.0007545900000000, 0.0082344600000000, -0.0010239000000000 ] - [ 0.0014892400000000, 0.0024468600000000, 0.0003305500000000 ] - [ -0.0001234700000000, -0.0014647900000000, -0.0002873900000000 ] - [ 0.0001539200000000, -0.0011888300000000, -0.0016142600000000 ] - [ -0.0008211900000000, 0.0018383900000000, -0.0023812400000000 ] - [ 0.0106686200000000, 0.0041660200000000, 0.0024159300000000 ] - [ -0.0013815200000000, -0.0018335900000000, -0.0003766400000000 ] - [ 0.0017445300000000, -0.0018653100000000, 0.0010634300000000 ] - [ -0.0084416800000000, 0.0034113900000000, -0.0048566000000000 ] - [ 0.0045941900000000, 0.0010855300000000, -0.0009333100000000 ] - [ -0.0022153600000000, -0.0023443500000000, 0.0011680800000000 ] - [ 0.0029785300000000, -0.0034087700000000, -0.0011572900000000 ] - [ -0.0059762400000000, 0.0011355100000000, 0.0035561000000000 ] - [ 0.0023838000000000, -0.0012211100000000, -0.0039836400000000 ] - [ -0.0002640600000000, -0.0019950500000000, -0.0023155300000000 ] - [ 0.0003816600000000, -0.0028649400000000, 0.0007744500000000 ] - [ -0.0030425400000000, -0.0051487000000000, 0.0029774700000000 ] - [ 0.0017542200000000, -0.0083374600000000, 0.0008573300000000 ] - [ -0.0013641800000000, -0.0066040600000000, 0.0023382800000000 ] - [ 0.0013419300000000, -0.0045730600000000, -0.0014783100000000 ] - [ -0.0009087300000000, -0.0071876300000000, -0.0030479400000000 ] - [ -0.0045922300000000, 0.0125020800000000, -0.0092285000000000 ] - [ 0.0014008100000000, -0.0039191300000000, 0.0015538900000000 ] - [ -0.0010870700000000, -0.0030553500000000, -0.0013201500000000 ] - [ 0.1087634600000000, 0.1654034800000000, 0.0792825600000000 ] - [ -0.0909433000000000, 0.1760021400000000, 0.1065896600000000 ] - [ 0.0015500300000000, -0.0028986400000000, -0.0014156200000000 ] - [ -0.0006142800000000, -0.0032128600000000, 0.0021696100000000 ] - [ 0.0046290500000000, 0.0097002400000000, -0.0106837000000000 ] - [ 0.0065896400000000, -0.0038454800000000, 0.0040074200000000 ] - [ 0.0011094200000000, -0.0022725100000000, 0.0004466100000000 ] - [ -0.0012848400000000, -0.0028239700000000, 0.0000091100000000 ] - [ -0.0068712700000000, -0.0064879700000000, 0.0027183900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0164927000000000, -0.0150901000000000, 0.0348152400000000 ] - [ 0.0000933400000000, -0.0081076900000000, -0.0001736700000000 ] - [ -0.0012375300000000, -0.0072378400000000, -0.0005566300000000 ] - [ 0.0157521000000000, -0.0284186600000000, 0.0304932800000000 ] - [ -0.0021311600000000, 0.0056986500000000, -0.0013804200000000 ] - [ 0.0015390900000000, -0.0042201400000000, 0.0005207700000000 ] - [ -0.0017501600000000, -0.0045159000000000, 0.0005216400000000 ] - [ 0.0030973600000000, 0.0043306000000000, 0.0008186600000000 ] - [ 0.0021311600000000, 0.0056986500000000, 0.0013804200000000 ] - [ -0.0015390900000000, -0.0042201400000000, -0.0005207700000000 ] - [ 0.0017501600000000, -0.0045159000000000, -0.0005216400000000 ] - [ -0.0030973600000000, 0.0043306000000000, -0.0008186600000000 ] - [ 0.0164927000000000, -0.0150901000000000, -0.0348152400000000 ] - [ -0.0000933400000000, -0.0081076900000000, 0.0001736700000000 ] - [ 0.0012375300000000, -0.0072378400000000, 0.0005566300000000 ] - [ -0.0157521000000000, -0.0284186600000000, -0.0304932800000000 ] - [ 0.0000000000000000, 0.7521386700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0073668900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074855500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0330280300000000, 0.0000000000000000 ] - [ -0.0091662600000000, -0.0049892600000000, 0.0012255100000000 ] - [ 0.0013157700000000, -0.0078578700000000, 0.0006875700000000 ] - [ -0.0015019800000000, -0.0113013700000000, -0.0000657600000000 ] - [ 0.0125422700000000, -0.0096652200000000, -0.0073302600000000 ] - [ -0.0089220800000000, 0.0125497400000000, -0.0044290600000000 ] - [ 0.0006364600000000, -0.0047901500000000, 0.0003665100000000 ] - [ -0.0009263300000000, -0.0052334700000000, 0.0002336600000000 ] - [ 0.0067312300000000, 0.0092833200000000, 0.0053595100000000 ] - [ 0.0000000000000000, -0.0005531300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022009700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011426200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011312000000000, 0.0000000000000000 ] - [ 0.0089220800000000, 0.0125497400000000, 0.0044290600000000 ] - [ -0.0006364600000000, -0.0047901500000000, -0.0003665100000000 ] - [ 0.0009263300000000, -0.0052334700000000, -0.0002336600000000 ] - [ -0.0067312300000000, 0.0092833200000000, -0.0053595100000000 ] - [ 0.0091662600000000, -0.0049892600000000, -0.0012255100000000 ] - [ -0.0013157700000000, -0.0078578700000000, -0.0006875700000000 ] - [ 0.0015019800000000, -0.0113013700000000, 0.0000657600000000 ] - [ -0.0125422700000000, -0.0096652200000000, 0.0073302600000000 ] - [ -0.0016979500000000, 0.0030289200000000, -0.0007482900000000 ] - [ -0.0073044200000000, 0.0067351800000000, 0.0019891200000000 ] - [ 0.0061781900000000, 0.0036386500000000, 0.0032201200000000 ] - [ 0.0006932200000000, 0.0020611000000000, -0.0003137100000000 ] - [ -0.0014988600000000, 0.0028091800000000, 0.0014470600000000 ] - [ 0.0037512600000000, -0.0101296800000000, -0.0114108300000000 ] - [ -0.0868775700000000, -0.1719299200000000, 0.0997527300000000 ] - [ 0.0006670400000000, 0.0033085200000000, -0.0021412300000000 ] - [ -0.0049150700000000, -0.0134545100000000, -0.0094428400000000 ] - [ 0.0010731000000000, 0.0029689600000000, 0.0013479200000000 ] - [ -0.0014170600000000, 0.0040116600000000, -0.0015297800000000 ] - [ 0.1144902900000000, -0.1679580600000000, 0.0838075700000000 ] - [ 0.0014703800000000, 0.0090311900000000, 0.0012247700000000 ] - [ -0.0016453500000000, 0.0073287900000000, 0.0026838700000000 ] - [ 0.0010681600000000, 0.0038737200000000, -0.0011443700000000 ] - [ -0.0011802400000000, 0.0064679600000000, -0.0026988000000000 ] - [ 0.0023906300000000, 0.0014457600000000, -0.0021534900000000 ] - [ -0.0002622600000000, 0.0022050000000000, -0.0004453300000000 ] - [ 0.0003841200000000, 0.0026477800000000, 0.0026457300000000 ] - [ -0.0030595600000000, 0.0049455500000000, 0.0048323500000000 ] - [ 0.0048819900000000, -0.0011894900000000, -0.0015490300000000 ] - [ -0.0019259100000000, 0.0022383800000000, 0.0005684200000000 ] - [ 0.0032626000000000, 0.0035056700000000, -0.0017542800000000 ] - [ -0.0057115900000000, -0.0010395400000000, 0.0029690400000000 ] - [ 0.0103994300000000, -0.0040600700000000, 0.0018178500000000 ] - [ -0.0016835800000000, 0.0019401900000000, -0.0009795900000000 ] - [ 0.0014425100000000, 0.0017591600000000, 0.0004587500000000 ] - [ -0.0087304500000000, -0.0035239700000000, -0.0054494900000000 ] - [ 0.0001452400000000, 0.0014033400000000, 0.0002531900000000 ] - [ -0.0008257600000000, -0.0016250800000000, -0.0005069300000000 ] - [ 0.0014851300000000, -0.0026572500000000, 0.0022031000000000 ] - [ -0.0001336500000000, 0.0012515900000000, 0.0015820900000000 ] - [ -0.0011923000000000, -0.0071742300000000, 0.0010374300000000 ] - [ 0.0003552600000000, 0.0033308300000000, -0.0006812000000000 ] - [ -0.0000523900000000, 0.0041604900000000, 0.0010288400000000 ] - [ 0.0010273100000000, -0.0075343300000000, -0.0006833400000000 ] - [ 0.0004832500000000, 0.0005450700000000, -0.0000181000000000 ] - [ 0.0002353600000000, 0.0015807200000000, -0.0005588000000000 ] - [ 0.0002674900000000, 0.0001211500000000, 0.0000784500000000 ] - [ -0.0001926000000000, -0.0000551800000000, 0.0000476900000000 ] - [ 0.0006998300000000, -0.0004253500000000, -0.0003763700000000 ] - [ 0.0006091400000000, 0.0007602000000000, 0.0001053400000000 ] - [ 0.0004324900000000, 0.0009523200000000, -0.0007093900000000 ] - [ -0.0000296700000000, 0.0003197500000000, -0.0004304600000000 ] - [ 0.0018870100000000, -0.0017250400000000, 0.0000473800000000 ] - [ 0.0008294900000000, 0.0014603900000000, -0.0004930300000000 ] - [ -0.0004432200000000, 0.0011952500000000, -0.0002453700000000 ] - [ -0.0012722500000000, -0.0016285200000000, -0.0007437500000000 ] - [ -0.0018870100000000, -0.0017250400000000, -0.0000473800000000 ] - [ -0.0008294900000000, 0.0014603900000000, 0.0004930300000000 ] - [ 0.0004432200000000, 0.0011952500000000, 0.0002453700000000 ] - [ 0.0012722500000000, -0.0016285200000000, 0.0007437500000000 ] - [ -0.0004324900000000, 0.0009523200000000, 0.0007093900000000 ] - [ 0.0000296700000000, 0.0003197500000000, 0.0004304600000000 ] - [ -0.0006998300000000, -0.0004253500000000, 0.0003763700000000 ] - [ -0.0006091400000000, 0.0007602000000000, -0.0001053400000000 ] - [ -0.0004832500000000, 0.0005450700000000, 0.0000181000000000 ] - [ -0.0002353600000000, 0.0015807200000000, 0.0005588000000000 ] - [ -0.0002674900000000, 0.0001211500000000, -0.0000784500000000 ] - [ 0.0001926000000000, -0.0000551800000000, -0.0000476900000000 ] - [ 0.0011923000000000, -0.0071742300000000, -0.0010374300000000 ] - [ -0.0003552600000000, 0.0033308300000000, 0.0006812000000000 ] - [ 0.0000523900000000, 0.0041604900000000, -0.0010288400000000 ] - [ -0.0010273100000000, -0.0075343300000000, 0.0006833400000000 ] - [ -0.0014851300000000, -0.0026572500000000, -0.0022031000000000 ] - [ 0.0001336500000000, 0.0012515900000000, -0.0015820900000000 ] - [ -0.0001452400000000, 0.0014033400000000, -0.0002531900000000 ] - [ 0.0008257600000000, -0.0016250800000000, 0.0005069300000000 ] - [ -0.0103994300000000, -0.0040600700000000, -0.0018178500000000 ] - [ 0.0016835800000000, 0.0019401900000000, 0.0009795900000000 ] - [ -0.0014425100000000, 0.0017591600000000, -0.0004587500000000 ] - [ 0.0087304500000000, -0.0035239700000000, 0.0054494900000000 ] - [ -0.0048819900000000, -0.0011894900000000, 0.0015490300000000 ] - [ 0.0019259100000000, 0.0022383800000000, -0.0005684200000000 ] - [ -0.0032626000000000, 0.0035056700000000, 0.0017542800000000 ] - [ 0.0057115900000000, -0.0010395400000000, -0.0029690400000000 ] - [ -0.0023906300000000, 0.0014457600000000, 0.0021534900000000 ] - [ 0.0002622600000000, 0.0022050000000000, 0.0004453300000000 ] - [ -0.0003841200000000, 0.0026477800000000, -0.0026457300000000 ] - [ 0.0030595600000000, 0.0049455500000000, -0.0048323500000000 ] - [ -0.0014703800000000, 0.0090311900000000, -0.0012247700000000 ] - [ 0.0016453500000000, 0.0073287900000000, -0.0026838700000000 ] - [ -0.0010681600000000, 0.0038737200000000, 0.0011443700000000 ] - [ 0.0011802400000000, 0.0064679600000000, 0.0026988000000000 ] - [ 0.0049150700000000, -0.0134545100000000, 0.0094428400000000 ] - [ -0.0010731000000000, 0.0029689600000000, -0.0013479200000000 ] - [ 0.0014170600000000, 0.0040116600000000, 0.0015297800000000 ] - [ -0.1144902900000000, -0.1679580600000000, -0.0838075700000000 ] - [ 0.0868775700000000, -0.1719299200000000, -0.0997527300000000 ] - [ -0.0006670400000000, 0.0033085200000000, 0.0021412300000000 ] - [ 0.0014988600000000, 0.0028091800000000, -0.0014470600000000 ] - [ -0.0037512600000000, -0.0101296800000000, 0.0114108300000000 ] - [ -0.0061781900000000, 0.0036386500000000, -0.0032201200000000 ] - [ -0.0006932200000000, 0.0020611000000000, 0.0003137100000000 ] - [ 0.0016979500000000, 0.0030289200000000, 0.0007482900000000 ] - [ 0.0073044200000000, 0.0067351800000000, -0.0019891200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0182861700000000, -0.0285773800000000, 0.0420236200000000 ] - [ -0.0010455300000000, -0.0001130100000000, 0.0009199500000000 ] - [ 0.0012803400000000, 0.0010316800000000, -0.0009920700000000 ] - [ 0.0099584500000000, -0.0312976200000000, 0.0203779700000000 ] - [ 0.0001660500000000, 0.0014618500000000, -0.0017059800000000 ] - [ 0.0008927300000000, -0.0001375400000000, 0.0001365600000000 ] - [ -0.0011096300000000, -0.0008648700000000, 0.0007709700000000 ] - [ 0.0007991600000000, 0.0012645200000000, 0.0016384600000000 ] - [ -0.0002728700000000, -0.0009537700000000, -0.0023766400000000 ] - [ 0.0004642300000000, 0.0006428900000000, -0.0005450700000000 ] - [ -0.0015358500000000, 0.0003581500000000, 0.0000877500000000 ] - [ 0.0003682000000000, -0.0017687300000000, 0.0009505900000000 ] - [ -0.0179724200000000, 0.0282242900000000, 0.0413020200000000 ] - [ -0.0006158600000000, -0.0003947900000000, 0.0002375600000000 ] - [ 0.0017138800000000, -0.0005250300000000, -0.0016687400000000 ] - [ 0.0102999400000000, 0.0316575600000000, 0.0197577100000000 ] - [ 0.0063830400000000, -0.0029618500000000, -0.7395705100000000 ] - [ 0.0000700700000000, 0.0002321400000000, -0.0004098400000000 ] - [ -0.0002067200000000, -0.0002368000000000, 0.0006183800000000 ] - [ 0.0052347300000000, -0.0002452900000000, 0.0337257800000000 ] - [ 0.0117508400000000, 0.0040522900000000, 0.0101627800000000 ] - [ -0.0001009400000000, -0.0047109700000000, 0.0012779500000000 ] - [ 0.0003771800000000, -0.0092231800000000, -0.0020565100000000 ] - [ -0.0093164100000000, 0.0017579400000000, -0.0117569000000000 ] - [ -0.0097027900000000, 0.0048909600000000, -0.0074456300000000 ] - [ -0.0000086800000000, -0.0001042100000000, -0.0000134400000000 ] - [ -0.0002889300000000, -0.0004951600000000, 0.0008090400000000 ] - [ 0.0051165500000000, 0.0016649800000000, 0.0062848600000000 ] - [ -0.0003352500000000, -0.0002322700000000, 0.0015941200000000 ] - [ 0.0004504600000000, -0.0002369700000000, 0.0006499200000000 ] - [ -0.0009329300000000, 0.0002365200000000, -0.0009787300000000 ] - [ 0.0005798800000000, 0.0002338200000000, -0.0009796600000000 ] - [ -0.0094288300000000, -0.0042154900000000, -0.0080636900000000 ] - [ 0.0002497400000000, 0.0007716900000000, -0.0006280200000000 ] - [ -0.0000306900000000, -0.0001771200000000, 0.0001926800000000 ] - [ 0.0053669800000000, -0.0023444500000000, 0.0056782600000000 ] - [ 0.0114607800000000, -0.0046912500000000, 0.0095308600000000 ] - [ -0.0003606700000000, 0.0040329200000000, 0.0006665300000000 ] - [ 0.0001209500000000, 0.0098694200000000, -0.0026674600000000 ] - [ -0.0095873200000000, -0.0010902000000000, -0.0124010000000000 ] - [ -0.0020316800000000, 0.0021831000000000, -0.0002927000000000 ] - [ 0.0083259700000000, -0.0052491400000000, 0.0022063500000000 ] - [ -0.0095430000000000, -0.0061465300000000, -0.0062711200000000 ] - [ 0.0008837700000000, 0.0010053300000000, -0.0003538900000000 ] - [ -0.0004317300000000, -0.0003381700000000, -0.0005770100000000 ] - [ 0.0025388600000000, -0.0037191300000000, -0.0137575300000000 ] - [ -0.0930759000000000, -0.1019920400000000, 0.1813767100000000 ] - [ -0.0004670900000000, 0.0001158600000000, -0.0002118500000000 ] - [ -0.0053282500000000, -0.0068633200000000, -0.0143674200000000 ] - [ -0.0001317000000000, -0.0005005600000000, -0.0002767100000000 ] - [ -0.0002560700000000, 0.0004047400000000, 0.0001007000000000 ] - [ 0.0994733000000000, -0.0784931800000000, 0.1458700100000000 ] - [ 0.0009103400000000, 0.0094490000000000, 0.0020380100000000 ] - [ 0.0014702500000000, -0.0002815100000000, 0.0018741700000000 ] - [ -0.0018341900000000, -0.0022703100000000, -0.0007622700000000 ] - [ -0.0005105100000000, 0.0049714200000000, -0.0019652100000000 ] - [ -0.0008482000000000, 0.0030721100000000, -0.0091369500000000 ] - [ 0.0000350900000000, 0.0011707400000000, -0.0004627700000000 ] - [ -0.0000877200000000, 0.0017839000000000, 0.0034388100000000 ] - [ 0.0001086000000000, 0.0050975400000000, 0.0090886900000000 ] - [ -0.0020681500000000, -0.0010864100000000, -0.0014885500000000 ] - [ -0.0005624000000000, 0.0010199500000000, -0.0000266100000000 ] - [ 0.0017867200000000, 0.0024505900000000, -0.0009327600000000 ] - [ 0.0011956200000000, -0.0006718400000000, 0.0012603000000000 ] - [ 0.0097773600000000, -0.0019715300000000, 0.0014963300000000 ] - [ -0.0001440300000000, 0.0001061800000000, -0.0002842900000000 ] - [ -0.0002547700000000, -0.0001143700000000, -0.0003346500000000 ] - [ -0.0059994900000000, -0.0013028000000000, -0.0040309200000000 ] - [ 0.0000556500000000, 0.0002713900000000, 0.0004815600000000 ] - [ -0.0005909700000000, 0.0002248900000000, -0.0023083100000000 ] - [ 0.0013923900000000, -0.0003405700000000, 0.0051331400000000 ] - [ -0.0000355100000000, 0.0000545300000000, 0.0011949800000000 ] - [ -0.0008669900000000, -0.0015357500000000, -0.0005306300000000 ] - [ 0.0001323100000000, -0.0002103500000000, 0.0000522000000000 ] - [ 0.0001639000000000, 0.0007481500000000, 0.0003052400000000 ] - [ 0.0013506800000000, -0.0022051300000000, 0.0008401400000000 ] - [ 0.0004108100000000, 0.0002996500000000, 0.0003433000000000 ] - [ -0.0001431500000000, 0.0003798100000000, 0.0002042100000000 ] - [ 0.0005444800000000, -0.0006896100000000, -0.0006315300000000 ] - [ 0.0001040200000000, -0.0006874400000000, -0.0004545400000000 ] - [ 0.0003660100000000, -0.0004972700000000, -0.0009505200000000 ] - [ 0.0002099800000000, -0.0002995000000000, -0.0006316300000000 ] - [ 0.0009317600000000, -0.0000458500000000, 0.0001375200000000 ] - [ 0.0003669500000000, -0.0000264700000000, 0.0000608800000000 ] - [ 0.0032194800000000, 0.0002868700000000, 0.0005686800000000 ] - [ 0.0000681100000000, 0.0001262100000000, -0.0002995300000000 ] - [ 0.0004245100000000, -0.0001611700000000, -0.0004933200000000 ] - [ -0.0018466200000000, 0.0002144800000000, -0.0009694600000000 ] - [ 0.0028893400000000, -0.0001090900000000, 0.0013003300000000 ] - [ -0.0002576200000000, 0.0000549500000000, 0.0004320000000000 ] - [ 0.0000989700000000, -0.0000187000000000, 0.0002378700000000 ] - [ -0.0021700300000000, -0.0003907500000000, -0.0002409700000000 ] - [ 0.0000110700000000, 0.0003958200000000, 0.0008168300000000 ] - [ -0.0005559200000000, 0.0003788000000000, 0.0007378600000000 ] - [ -0.0005578100000000, 0.0001439100000000, -0.0002755300000000 ] - [ -0.0007104800000000, -0.0000488400000000, 0.0000453400000000 ] - [ 0.0000338000000000, 0.0006884000000000, 0.0005873800000000 ] - [ -0.0005183000000000, 0.0006170300000000, 0.0004500300000000 ] - [ 0.0001661500000000, -0.0003088100000000, -0.0003841800000000 ] - [ -0.0002709000000000, -0.0003019700000000, -0.0002089700000000 ] - [ -0.0011251900000000, 0.0007724900000000, -0.0008789200000000 ] - [ -0.0001290000000000, -0.0005495700000000, -0.0002927500000000 ] - [ -0.0000976400000000, 0.0000172800000000, -0.0000407000000000 ] - [ 0.0010869900000000, 0.0029641600000000, 0.0004984200000000 ] - [ 0.0013799500000000, 0.0001164600000000, 0.0033252400000000 ] - [ -0.0000403500000000, -0.0002750800000000, -0.0006103500000000 ] - [ 0.0000498000000000, -0.0000492700000000, -0.0013232300000000 ] - [ -0.0005912600000000, 0.0000006300000000, -0.0041195000000000 ] - [ 0.0100230000000000, 0.0020449200000000, 0.0020716700000000 ] - [ 0.0001216500000000, -0.0000201100000000, 0.0002833400000000 ] - [ 0.0000092500000000, 0.0000305300000000, 0.0002322600000000 ] - [ -0.0057387100000000, 0.0012279300000000, -0.0034739400000000 ] - [ -0.0023184000000000, 0.0009903000000000, -0.0009209800000000 ] - [ -0.0008170800000000, -0.0011039200000000, 0.0005391300000000 ] - [ 0.0015209600000000, -0.0023569500000000, -0.0003621500000000 ] - [ 0.0009390100000000, 0.0007629400000000, 0.0018350300000000 ] - [ -0.0008418700000000, -0.0028529500000000, -0.0109313300000000 ] - [ 0.0000477500000000, -0.0009474900000000, -0.0022670300000000 ] - [ -0.0000777400000000, -0.0020000000000000, 0.0016286600000000 ] - [ 0.0001197800000000, -0.0053323000000000, 0.0072908200000000 ] - [ 0.0011728600000000, -0.0086764800000000, 0.0016980200000000 ] - [ 0.0017401200000000, 0.0010474200000000, 0.0015312800000000 ] - [ -0.0015649000000000, 0.0014953400000000, -0.0011080700000000 ] - [ -0.0002431600000000, -0.0057326700000000, -0.0023137300000000 ] - [ -0.0049268000000000, 0.0058374800000000, -0.0141545200000000 ] - [ 0.0002515000000000, -0.0004920600000000, -0.0000295200000000 ] - [ 0.0001245000000000, 0.0005950000000000, 0.0003469000000000 ] - [ 0.0954939300000000, 0.0756875700000000, 0.1443363800000000 ] - [ -0.0982761800000000, 0.1093434300000000, 0.1875629200000000 ] - [ 0.0004596600000000, 0.0002349600000000, 0.0004641200000000 ] - [ 0.0004934300000000, -0.0000073200000000, 0.0000983000000000 ] - [ 0.0034803900000000, 0.0034111100000000, -0.0130632900000000 ] - [ -0.0092096600000000, 0.0059324000000000, -0.0055312700000000 ] - [ 0.0012106000000000, -0.0011847600000000, 0.0003766200000000 ] - [ -0.0016973000000000, -0.0019949400000000, 0.0004414300000000 ] - [ 0.0086573400000000, 0.0054406200000000, 0.0029590400000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0171625500000000, -0.0069979200000000, 0.0041352800000000 ] - [ -0.0012466800000000, -0.0004030700000000, 0.0003119300000000 ] - [ -0.0088517300000000, -0.0024414300000000, 0.0012266000000000 ] - [ -0.0052079400000000, 0.0021995900000000, 0.0007663100000000 ] - [ 0.0514167700000000, -0.0198851800000000, -0.0161647200000000 ] - [ 0.0000646100000000, 0.0006001900000000, 0.0001943200000000 ] - [ -0.0000805300000000, 0.0044101900000000, 0.0012278800000000 ] - [ 0.0007819500000000, -0.0033021100000000, 0.0008663400000000 ] - [ 0.0087669000000000, -0.0011525500000000, -0.0001151100000000 ] - [ 0.0007543500000000, 0.0001742600000000, -0.0003201100000000 ] - [ 0.0064875200000000, 0.0017730200000000, -0.0011119200000000 ] - [ 0.0034921600000000, -0.0006057400000000, -0.0007229300000000 ] - [ 0.0643949000000000, 0.0259404300000000, 0.0123967800000000 ] - [ 0.0005034200000000, -0.0004377900000000, -0.0003781700000000 ] - [ -0.0010923900000000, -0.0038925700000000, 0.0000599100000000 ] - [ 0.0017266900000000, 0.0033119600000000, -0.0009941700000000 ] - [ -0.0112816200000000, 0.0095537000000000, 0.0116198100000000 ] - [ -0.0011112600000000, -0.0009422200000000, -0.0002293100000000 ] - [ -0.0011900100000000, -0.0018662500000000, 0.0002462500000000 ] - [ -0.0112175200000000, 0.0121365400000000, -0.0094576400000000 ] - [ -0.7333172800000000, 0.0083807800000000, 0.0128533200000000 ] - [ -0.0008234400000000, -0.0000319000000000, 0.0004558600000000 ] - [ -0.0065293000000000, 0.0029860200000000, 0.0005356700000000 ] - [ -0.0024219600000000, 0.0004803500000000, 0.0007878400000000 ] - [ 0.0023257500000000, -0.0035925600000000, -0.0088738200000000 ] - [ -0.0004426200000000, 0.0019768100000000, 0.0001937600000000 ] - [ -0.0008268600000000, 0.0016975700000000, -0.0009103400000000 ] - [ -0.0008329300000000, -0.0152388600000000, 0.0014501000000000 ] - [ 0.0139148000000000, 0.0085608700000000, 0.0095921300000000 ] - [ 0.0007415000000000, -0.0009965500000000, -0.0001205300000000 ] - [ 0.0098002700000000, 0.0071050100000000, -0.0052441200000000 ] - [ 0.0006976400000000, -0.0005572100000000, 0.0001596900000000 ] - [ 0.0161572900000000, 0.0014775800000000, 0.0034205900000000 ] - [ 0.0011667500000000, 0.0003746300000000, -0.0001607800000000 ] - [ 0.0037116900000000, -0.0002023300000000, 0.0002059800000000 ] - [ 0.0037133600000000, -0.0005936100000000, -0.0001784400000000 ] - [ 0.0036515400000000, -0.0031929600000000, -0.0177680900000000 ] - [ 0.0002593600000000, 0.0006952400000000, -0.0004525400000000 ] - [ 0.0061249300000000, -0.0172129100000000, 0.0037237100000000 ] - [ 0.0008601200000000, 0.0011837400000000, -0.0008732100000000 ] - [ 0.0040287500000000, -0.0010000900000000, 0.0003575400000000 ] - [ 0.0012929100000000, -0.0006360300000000, -0.0001236600000000 ] - [ 0.2912716400000000, 0.0891815400000000, 0.0623990500000000 ] - [ 0.0002672700000000, 0.0000051300000000, -0.0003144600000000 ] - [ 0.0003174600000000, 0.0000430100000000, -0.0004858600000000 ] - [ 0.0031982800000000, -0.0037157600000000, -0.0017296200000000 ] - [ 0.0048929300000000, 0.0026915200000000, -0.0059501200000000 ] - [ 0.0000443000000000, 0.0006375700000000, -0.0006514400000000 ] - [ 0.0049537300000000, 0.0007209600000000, 0.0041825200000000 ] - [ 0.0004663800000000, 0.0001461800000000, 0.0001944000000000 ] - [ 0.0007428600000000, 0.0005853400000000, 0.0000079600000000 ] - [ 0.0035382000000000, -0.0026074800000000, -0.0001117600000000 ] - [ 0.0020162200000000, -0.0009977900000000, -0.0006054900000000 ] - [ 0.0002894200000000, 0.0002914100000000, 0.0000840300000000 ] - [ 0.0749395600000000, -0.0019197500000000, 0.0005525400000000 ] - [ 0.0002756900000000, -0.0007527300000000, 0.0002609700000000 ] - [ 0.0908727400000000, -0.0098551000000000, 0.0528921800000000 ] - [ 0.0002423300000000, 0.0000717400000000, 0.0009207800000000 ] - [ 0.0022900900000000, -0.0011719000000000, 0.0007550400000000 ] - [ 0.0006742700000000, -0.0003002300000000, 0.0006493900000000 ] - [ 0.2080589000000000, -0.0853613400000000, -0.1272536900000000 ] - [ 0.0007769300000000, -0.0003342700000000, -0.0005438400000000 ] - [ 0.0022183100000000, -0.0001656200000000, -0.0013371700000000 ] - [ 0.0016889900000000, 0.0006755500000000, -0.0009005900000000 ] - [ 0.0015451000000000, 0.0002912700000000, 0.0012677400000000 ] - [ 0.0005220900000000, -0.0004424500000000, -0.0000301500000000 ] - [ 0.0014733000000000, 0.0000075800000000, -0.0000665900000000 ] - [ 0.0033613100000000, 0.0034606300000000, 0.0010644200000000 ] - [ 0.0001203400000000, -0.0008534100000000, 0.0018026800000000 ] - [ 0.0002688300000000, 0.0029972700000000, -0.0013612500000000 ] - [ -0.0011434500000000, 0.0040255700000000, 0.0099164400000000 ] - [ 0.0000934300000000, -0.0004326300000000, 0.0008069900000000 ] - [ -0.0011720600000000, 0.0122454600000000, -0.0028787500000000 ] - [ 0.0001925600000000, -0.0013446400000000, 0.0006062100000000 ] - [ 0.0002811300000000, -0.0012036600000000, -0.0002355300000000 ] - [ -0.0003120400000000, 0.0039377400000000, 0.0023725400000000 ] - [ -0.0067348600000000, -0.0061742300000000, 0.0060358400000000 ] - [ 0.0001041700000000, 0.0006573200000000, -0.0001562400000000 ] - [ -0.0017232400000000, -0.0034258900000000, -0.0026140900000000 ] - [ -0.0003164100000000, 0.0002693700000000, 0.0002317700000000 ] - [ -0.0102077100000000, -0.0062308500000000, -0.0084854500000000 ] - [ 0.0003876300000000, -0.0000371700000000, -0.0002644500000000 ] - [ -0.0002810900000000, -0.0018391700000000, 0.0012556100000000 ] - [ 0.0000261100000000, 0.0008472800000000, -0.0008541500000000 ] - [ -0.0031477800000000, -0.0001715600000000, 0.0014791600000000 ] - [ -0.0000747900000000, -0.0002304200000000, -0.0003230500000000 ] - [ -0.0000349000000000, -0.0007989700000000, -0.0002317700000000 ] - [ -0.0031082800000000, 0.0036206300000000, 0.0001370500000000 ] - [ -0.0132179900000000, 0.0041360800000000, 0.0020155200000000 ] - [ -0.0007819600000000, 0.0002501300000000, 0.0004722000000000 ] - [ -0.0024269300000000, -0.0011405500000000, 0.0006568300000000 ] - [ -0.0022027000000000, -0.0003876300000000, 0.0006345700000000 ] - [ -0.0038203000000000, -0.0026780700000000, -0.0009840200000000 ] - [ -0.0008066300000000, 0.0003556600000000, 0.0003645500000000 ] - [ -0.0050531900000000, 0.0012345200000000, -0.0041751400000000 ] - [ -0.0007991400000000, 0.0001095800000000, 0.0001430000000000 ] - [ -0.0039186800000000, 0.0014143800000000, 0.0024116000000000 ] - [ -0.0005512300000000, 0.0008282800000000, 0.0002625200000000 ] - [ -0.0050445600000000, -0.0050380500000000, 0.0013442500000000 ] - [ -0.0005374500000000, -0.0003092100000000, 0.0001195800000000 ] - [ -0.0013774200000000, 0.0001401100000000, 0.0000912900000000 ] - [ -0.0007097500000000, -0.0003878500000000, -0.0002471000000000 ] - [ -0.0006507000000000, 0.0000939200000000, -0.0000554000000000 ] - [ -0.0029124800000000, -0.0003849900000000, -0.0005291700000000 ] - [ -0.0031060200000000, -0.0000227400000000, -0.0019831800000000 ] - [ -0.0002524900000000, -0.0000959100000000, -0.0009697100000000 ] - [ -0.0009388000000000, -0.0000762100000000, -0.0011113600000000 ] - [ -0.0010153700000000, 0.0000106400000000, -0.0009285500000000 ] - [ -0.0134501500000000, -0.0047897300000000, -0.0050334100000000 ] - [ -0.0004433000000000, -0.0001314500000000, 0.0000732000000000 ] - [ -0.0018723900000000, 0.0007847800000000, -0.0004730200000000 ] - [ -0.0016881200000000, 0.0003824300000000, -0.0003179700000000 ] - [ -0.0054177700000000, -0.0017798100000000, 0.0048496400000000 ] - [ -0.0007317700000000, -0.0004121100000000, 0.0005328200000000 ] - [ -0.0056360200000000, 0.0044038500000000, 0.0023112500000000 ] - [ -0.0011964000000000, 0.0001201900000000, 0.0006394500000000 ] - [ -0.0056034700000000, 0.0025430800000000, 0.0112277300000000 ] - [ -0.0001134400000000, -0.0000672800000000, -0.0009771400000000 ] - [ -0.0007395200000000, 0.0034068500000000, -0.0049284200000000 ] - [ -0.0002744100000000, -0.0005584300000000, -0.0003573200000000 ] - [ -0.0064655700000000, 0.0122134100000000, -0.0058422300000000 ] - [ 0.0000014500000000, -0.0000853200000000, 0.0000232000000000 ] - [ -0.0001793600000000, 0.0030949500000000, 0.0030998900000000 ] - [ -0.0000449300000000, -0.0013722500000000, -0.0004024700000000 ] - [ 0.0027367000000000, -0.0131044300000000, 0.0075558500000000 ] - [ 0.0002132600000000, -0.0000277900000000, -0.0000671100000000 ] - [ 0.0009587400000000, 0.0015731300000000, 0.0006059500000000 ] - [ 0.0005988100000000, -0.0026843700000000, -0.0028432000000000 ] - [ 0.0038653000000000, -0.0101402200000000, -0.0116162200000000 ] - [ 0.0005556100000000, 0.0004622400000000, 0.0005336700000000 ] - [ 0.0011281600000000, 0.0009392000000000, -0.0002799800000000 ] - [ 0.0007340800000000, -0.0033911400000000, 0.0037465100000000 ] - [ 0.0036007200000000, -0.0006256100000000, 0.0050587900000000 ] - [ 0.0003231000000000, -0.0002777200000000, 0.0004144100000000 ] - [ 0.0019188100000000, 0.0049860800000000, -0.0004697400000000 ] - [ -0.0000095800000000, -0.0003943100000000, 0.0003258000000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0166983500000000, 0.0064408600000000, -0.0033868700000000 ] - [ 0.0008010800000000, -0.0000906100000000, 0.0003702000000000 ] - [ 0.0084163800000000, 0.0029925700000000, -0.0005962300000000 ] - [ 0.0047565200000000, -0.0016765900000000, -0.0000866100000000 ] - [ -0.0509297500000000, 0.0202426400000000, 0.0166763100000000 ] - [ 0.0003776300000000, -0.0000863600000000, 0.0004870500000000 ] - [ 0.0005137100000000, -0.0048893200000000, -0.0005264700000000 ] - [ -0.0003420000000000, 0.0028036700000000, -0.0001819300000000 ] - [ -0.0092083800000000, 0.0016263100000000, -0.0005452900000000 ] - [ -0.0011971000000000, 0.0003347800000000, -0.0003620600000000 ] - [ -0.0069264100000000, -0.0022596100000000, 0.0004192700000000 ] - [ -0.0039339800000000, 0.0001106200000000, 0.0000385100000000 ] - [ -0.0639931500000000, -0.0265671400000000, -0.0131497400000000 ] - [ -0.0000570100000000, -0.0000544700000000, -0.0003047600000000 ] - [ 0.0015443700000000, 0.0044030100000000, -0.0007395600000000 ] - [ -0.0012780300000000, -0.0027966100000000, 0.0003167100000000 ] - [ 0.0112791600000000, -0.0090475600000000, -0.0115897100000000 ] - [ 0.0011157800000000, 0.0014276000000000, 0.0002318100000000 ] - [ 0.0011947100000000, 0.0013931300000000, -0.0002503200000000 ] - [ 0.0112190700000000, -0.0126101100000000, 0.0094449200000000 ] - [ 0.7473018299999999, 0.0089034400000000, 0.0033709500000000 ] - [ 0.0010637500000000, -0.0006255000000000, 0.0001570200000000 ] - [ 0.0067695500000000, -0.0023490000000000, 0.0000866200000000 ] - [ 0.0026598400000000, 0.0001995400000000, -0.0001709700000000 ] - [ -0.0025779200000000, 0.0042552200000000, 0.0095290600000000 ] - [ 0.0001983100000000, -0.0012982900000000, 0.0004180900000000 ] - [ 0.0005835000000000, -0.0023447800000000, 0.0015244700000000 ] - [ 0.0005795100000000, 0.0145555200000000, -0.0008393400000000 ] - [ -0.0138354700000000, -0.0090059400000000, -0.0095397500000000 ] - [ -0.0007411500000000, 0.0005243800000000, 0.0001204000000000 ] - [ -0.0097971800000000, -0.0066296700000000, 0.0052396500000000 ] - [ -0.0006975800000000, 0.0010453700000000, -0.0001587500000000 ] - [ -0.0158855800000000, -0.0008111300000000, -0.0040195500000000 ] - [ -0.0009217500000000, 0.0003061200000000, -0.0004534900000000 ] - [ -0.0034638100000000, -0.0004549800000000, -0.0008140200000000 ] - [ -0.0034638200000000, -0.0000850900000000, -0.0004351500000000 ] - [ -0.0039192400000000, 0.0025182900000000, 0.0171815600000000 ] - [ -0.0004996100000000, -0.0013546100000000, -0.0001598700000000 ] - [ -0.0064073000000000, 0.0178706400000000, -0.0043636900000000 ] - [ -0.0010959500000000, -0.0005027200000000, 0.0002590400000000 ] - [ -0.0044836100000000, 0.0012214600000000, -0.0011308100000000 ] - [ -0.0017257600000000, 0.0008481100000000, -0.0006461300000000 ] - [ -0.3122199000000000, -0.0990390000000000, -0.0694899700000000 ] - [ -0.0007080200000000, -0.0002234400000000, -0.0004564800000000 ] - [ -0.0011896200000000, -0.0004690000000000, -0.0002568200000000 ] - [ -0.0040635200000000, 0.0032826900000000, 0.0009843400000000 ] - [ -0.0057649300000000, -0.0022695500000000, 0.0052018500000000 ] - [ -0.0009113800000000, -0.0002102600000000, -0.0000958000000000 ] - [ -0.0052675300000000, -0.0016629500000000, -0.0043696300000000 ] - [ -0.0007743300000000, -0.0010797000000000, -0.0003837400000000 ] - [ -0.0010555400000000, 0.0003536100000000, -0.0002024600000000 ] - [ -0.0038433400000000, 0.0035259000000000, -0.0000768600000000 ] - [ -0.0022930500000000, 0.0016955900000000, 0.0009510300000000 ] - [ -0.0005617000000000, 0.0003832100000000, 0.0002520800000000 ] - [ -0.0752688400000000, -0.0009283500000000, 0.0000353600000000 ] - [ -0.0005468000000000, 0.0000662200000000, 0.0000795200000000 ] - [ -0.0916480900000000, 0.0101619000000000, -0.0517250200000000 ] - [ -0.0002318700000000, 0.0001373300000000, 0.0009768900000000 ] - [ -0.0022828700000000, 0.0009704900000000, 0.0011389200000000 ] - [ -0.0006645600000000, 0.0000858200000000, 0.0012399800000000 ] - [ -0.2000367100000000, 0.0791860000000000, 0.1180090800000000 ] - [ -0.0004568400000000, 0.0002149500000000, -0.0000775900000000 ] - [ -0.0018895700000000, 0.0002920900000000, 0.0007082700000000 ] - [ -0.0013743000000000, -0.0005610900000000, 0.0002824200000000 ] - [ -0.0018660400000000, -0.0001696400000000, -0.0019031200000000 ] - [ -0.0008427900000000, 0.0005590900000000, -0.0005898600000000 ] - [ -0.0017931300000000, -0.0001307800000000, -0.0005538500000000 ] - [ -0.0036739400000000, -0.0035763000000000, -0.0016794500000000 ] - [ -0.0001339800000000, 0.0010594500000000, 0.0000973200000000 ] - [ -0.0002834400000000, -0.0027881600000000, 0.0032584100000000 ] - [ 0.0011398800000000, -0.0042446400000000, -0.0080449200000000 ] - [ -0.0001082600000000, 0.0002240900000000, 0.0010918800000000 ] - [ 0.0014390100000000, -0.0129034000000000, 0.0032215200000000 ] - [ 0.0000748800000000, 0.0006583800000000, -0.0002673100000000 ] - [ -0.0000114700000000, 0.0018736100000000, 0.0005681000000000 ] - [ 0.0005800400000000, -0.0032635400000000, -0.0020427500000000 ] - [ 0.0070343500000000, 0.0071148200000000, -0.0062181400000000 ] - [ 0.0001976800000000, 0.0002720000000000, -0.0000325800000000 ] - [ 0.0020141300000000, 0.0024796100000000, 0.0024073100000000 ] - [ 0.0006220300000000, -0.0012061200000000, -0.0004241300000000 ] - [ 0.0110016700000000, 0.0057983600000000, 0.0077301000000000 ] - [ 0.0004735500000000, -0.0003939200000000, -0.0004846300000000 ] - [ 0.0011472500000000, 0.0022696100000000, -0.0020048400000000 ] - [ 0.0008369000000000, -0.0004224100000000, 0.0001092100000000 ] - [ 0.0036024900000000, 0.0003929800000000, -0.0022613200000000 ] - [ 0.0005139800000000, 0.0004445500000000, -0.0004472200000000 ] - [ 0.0004787100000000, 0.0005792900000000, -0.0005386900000000 ] - [ 0.0035492100000000, -0.0038370000000000, -0.0009075400000000 ] - [ 0.0127510100000000, -0.0039107000000000, -0.0012411000000000 ] - [ 0.0003450800000000, -0.0000370600000000, 0.0002984800000000 ] - [ 0.0019842000000000, 0.0009208700000000, 0.0001121300000000 ] - [ 0.0017690900000000, 0.0001754800000000, 0.0001344900000000 ] - [ 0.0029639000000000, 0.0031111400000000, 0.0017360600000000 ] - [ -0.0000592600000000, 0.0000689900000000, 0.0003803600000000 ] - [ 0.0041758500000000, -0.0016509000000000, 0.0048961000000000 ] - [ -0.0000647700000000, -0.0005397900000000, 0.0006035000000000 ] - [ 0.0036181400000000, -0.0004805600000000, -0.0022231900000000 ] - [ 0.0002466400000000, 0.0001028000000000, -0.0000717700000000 ] - [ 0.0047278200000000, 0.0040894800000000, -0.0011498900000000 ] - [ 0.0002302100000000, -0.0006272200000000, 0.0000728100000000 ] - [ 0.0011110300000000, -0.0008102400000000, -0.0004260900000000 ] - [ 0.0004417400000000, -0.0002942500000000, -0.0000911600000000 ] - [ 0.0003836500000000, 0.0005712300000000, -0.0002782000000000 ] - [ 0.0026419000000000, 0.0010556000000000, 0.0001878000000000 ] - [ 0.0031206400000000, -0.0001827800000000, 0.0000683800000000 ] - [ 0.0002674200000000, -0.0001167700000000, -0.0009283500000000 ] - [ 0.0009549500000000, 0.0002810500000000, -0.0007900200000000 ] - [ 0.0010288000000000, 0.0002025500000000, -0.0009625500000000 ] - [ 0.0137392600000000, 0.0048954500000000, 0.0056398900000000 ] - [ 0.0007634700000000, 0.0002446200000000, 0.0005470700000000 ] - [ 0.0021967600000000, -0.0009064300000000, 0.0010933200000000 ] - [ 0.0020073600000000, -0.0004946200000000, 0.0009350300000000 ] - [ 0.0051089600000000, 0.0016664500000000, -0.0042350300000000 ] - [ 0.0004143100000000, 0.0002915700000000, 0.0000865500000000 ] - [ 0.0053223000000000, -0.0042835700000000, -0.0016844800000000 ] - [ 0.0008801000000000, -0.0000034300000000, -0.0000195200000000 ] - [ 0.0056089900000000, -0.0023074400000000, -0.0131091000000000 ] - [ 0.0001050000000000, 0.0002742000000000, -0.0009197800000000 ] - [ 0.0007331100000000, -0.0036157600000000, 0.0030348600000000 ] - [ 0.0002639400000000, 0.0003472100000000, -0.0015384700000000 ] - [ 0.0067545400000000, -0.0115074200000000, 0.0055035600000000 ] - [ 0.0002718100000000, 0.0007563100000000, -0.0003580600000000 ] - [ 0.0004546800000000, -0.0037712600000000, -0.0034427000000000 ] - [ 0.0003179600000000, 0.0006846000000000, 0.0000612600000000 ] - [ -0.0024285900000000, 0.0121602800000000, -0.0073486200000000 ] - [ 0.0000913800000000, -0.0009070200000000, 0.0002571300000000 ] - [ -0.0006586200000000, -0.0006465900000000, -0.0004200000000000 ] - [ -0.0003020500000000, 0.0036015300000000, 0.0030186100000000 ] - [ -0.0030028600000000, 0.0105495500000000, 0.0123374000000000 ] - [ 0.0003076000000000, -0.0000351100000000, 0.0002137600000000 ] - [ -0.0002690900000000, -0.0013730900000000, 0.0010283200000000 ] - [ 0.0001269600000000, 0.0029575800000000, -0.0029941900000000 ] - [ -0.0031717700000000, 0.0004178100000000, -0.0043037800000000 ] - [ 0.0001157500000000, 0.0000611400000000, 0.0003554400000000 ] - [ -0.0014652600000000, -0.0047782600000000, 0.0012591800000000 ] - [ 0.0004450300000000, 0.0006072100000000, 0.0004451300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030813100000000, -0.0029274700000000, -0.0179961200000000 ] - [ 0.0006227200000000, 0.0068493200000000, 0.0007405400000000 ] - [ -0.0136353400000000, 0.0574690000000000, -0.0377906500000000 ] - [ 0.0000816600000000, 0.0081229800000000, 0.0013978000000000 ] - [ -0.0277278900000000, 0.0018408500000000, 0.0076596600000000 ] - [ 0.0014111200000000, 0.0065772000000000, -0.0005800700000000 ] - [ 0.0058511500000000, -0.0038320200000000, 0.0042066400000000 ] - [ -0.0007663600000000, 0.0046542400000000, -0.0006065300000000 ] - [ -0.0007951900000000, -0.0033949600000000, 0.0005202200000000 ] - [ -0.0000889000000000, 0.0038429000000000, -0.0006246300000000 ] - [ 0.0006739800000000, -0.0042437600000000, -0.0009622500000000 ] - [ -0.0012498600000000, 0.0040431800000000, -0.0001121600000000 ] - [ 0.0261673700000000, 0.0006624800000000, 0.0054342500000000 ] - [ -0.0013997900000000, 0.0065804200000000, -0.0006806800000000 ] - [ -0.0041425900000000, -0.0041540100000000, -0.0008867900000000 ] - [ 0.0014826900000000, 0.0059870900000000, -0.0009584600000000 ] - [ 0.0009907200000000, 0.0048880400000000, 0.0043565900000000 ] - [ -0.0061806600000000, 0.0077459300000000, -0.0043634900000000 ] - [ -0.0086098800000000, 0.0114110000000000, 0.0095406400000000 ] - [ 0.0040127200000000, 0.0097238100000000, -0.0014202100000000 ] - [ -0.0002189200000000, -0.7589434300000000, 0.0133951600000000 ] - [ 0.0004330200000000, 0.0062571700000000, -0.0001127500000000 ] - [ -0.0025340900000000, -0.0167892800000000, -0.0123864000000000 ] - [ -0.0000043200000000, 0.0061811300000000, 0.0009721400000000 ] - [ -0.0040548500000000, 0.0023200800000000, 0.0041380900000000 ] - [ 0.0015012600000000, 0.0029846100000000, -0.0000247600000000 ] - [ 0.0147586900000000, 0.0091863400000000, 0.0072892500000000 ] - [ -0.0021469200000000, 0.0091671600000000, -0.0009651200000000 ] - [ -0.0002304800000000, -0.0124480200000000, -0.0045580500000000 ] - [ 0.0001974600000000, 0.0048880000000000, 0.0004368300000000 ] - [ -0.0013930400000000, -0.0093885700000000, 0.0020101500000000 ] - [ 0.0001893600000000, 0.0051239800000000, -0.0001590900000000 ] - [ -0.0010081000000000, 0.0024953500000000, 0.0021703400000000 ] - [ 0.0001003000000000, 0.0018137200000000, -0.0009955000000000 ] - [ -0.0001177500000000, 0.0005956600000000, -0.0001817400000000 ] - [ 0.0002584300000000, 0.0006041400000000, -0.0005323100000000 ] - [ 0.0027214000000000, -0.0119657900000000, -0.0047303500000000 ] - [ -0.0011585000000000, 0.0049785500000000, 0.0004189100000000 ] - [ -0.0176794000000000, -0.0190425900000000, -0.0029458800000000 ] - [ 0.0007011100000000, 0.0058091400000000, -0.0005184100000000 ] - [ 0.0013972700000000, 0.0025203600000000, 0.0013588200000000 ] - [ 0.0008848100000000, -0.0016805100000000, -0.0002010000000000 ] - [ 0.0933738900000000, 0.1148162600000000, 0.0249542600000000 ] - [ -0.0014112100000000, -0.0021544300000000, -0.0005515600000000 ] - [ 0.0062447900000000, -0.0108695200000000, -0.0088481900000000 ] - [ -0.0002003400000000, -0.0034473800000000, -0.0016399100000000 ] - [ -0.0009017500000000, -0.0001320000000000, -0.0007736800000000 ] - [ -0.0008176000000000, -0.0032378700000000, 0.0024210200000000 ] - [ -0.0025951200000000, -0.0040260100000000, 0.0010685900000000 ] - [ -0.0009371200000000, -0.0051095900000000, -0.0035245800000000 ] - [ 0.0054257900000000, -0.0085916900000000, 0.0071290800000000 ] - [ -0.0002828400000000, -0.0018238100000000, -0.0005788700000000 ] - [ 0.0004023500000000, 0.0130037800000000, 0.0059626200000000 ] - [ -0.0003713600000000, -0.0041902600000000, -0.0010539800000000 ] - [ 0.0053033600000000, 0.3761631400000000, -0.0266354200000000 ] - [ 0.0000543000000000, -0.0053367100000000, 0.0013866300000000 ] - [ -0.0157248400000000, 0.0876995700000000, -0.0575887100000000 ] - [ -0.0001471000000000, -0.0017697200000000, 0.0020694900000000 ] - [ -0.0002210100000000, 0.0050959200000000, 0.0160899100000000 ] - [ 0.0001051100000000, -0.0019081900000000, -0.0004826600000000 ] - [ -0.0769639700000000, 0.1256968100000000, 0.0716211500000000 ] - [ 0.0009750500000000, -0.0019821000000000, -0.0007476300000000 ] - [ -0.0009060700000000, 0.0024799500000000, 0.0010081500000000 ] - [ -0.0006153900000000, -0.0015984200000000, 0.0001547800000000 ] - [ 0.0012294400000000, -0.0002408600000000, 0.0000953900000000 ] - [ -0.0003187200000000, -0.0008480900000000, -0.0002555000000000 ] - [ -0.0123915600000000, -0.0091598200000000, -0.0043670900000000 ] - [ -0.0007699900000000, -0.0024544000000000, -0.0007223600000000 ] - [ -0.0031750300000000, -0.0008827800000000, -0.0023781500000000 ] - [ 0.0005321300000000, -0.0021766900000000, 0.0028739500000000 ] - [ 0.0012289700000000, -0.0015484900000000, -0.0029649400000000 ] - [ -0.0004850000000000, -0.0010969100000000, 0.0008956700000000 ] - [ 0.0017277700000000, -0.0069642000000000, 0.0014233100000000 ] - [ -0.0023867800000000, -0.0067809400000000, 0.0004359500000000 ] - [ -0.0003913600000000, -0.0008909700000000, -0.0000334500000000 ] - [ 0.0008819700000000, -0.0020028800000000, -0.0010015500000000 ] - [ 0.0034471500000000, 0.0072298400000000, -0.0037730900000000 ] - [ -0.0008356900000000, -0.0020668700000000, 0.0010397000000000 ] - [ -0.0029257400000000, 0.0047859800000000, 0.0020081000000000 ] - [ 0.0011000200000000, -0.0029322900000000, -0.0011393500000000 ] - [ 0.0050736300000000, 0.0063842400000000, 0.0050931000000000 ] - [ -0.0005266800000000, -0.0024915200000000, -0.0017890700000000 ] - [ -0.0013103000000000, 0.0039168900000000, -0.0030055200000000 ] - [ 0.0012570800000000, -0.0018740700000000, 0.0009141900000000 ] - [ 0.0028428900000000, 0.0009164200000000, -0.0014719600000000 ] - [ -0.0013480300000000, -0.0010499500000000, -0.0000390400000000 ] - [ -0.0060720100000000, 0.0006775700000000, -0.0002381400000000 ] - [ 0.0030740100000000, -0.0029507200000000, -0.0007520500000000 ] - [ 0.0035223000000000, -0.0010377500000000, -0.0006619600000000 ] - [ -0.0001404600000000, -0.0006379900000000, 0.0005054700000000 ] - [ -0.0007049700000000, -0.0000492400000000, 0.0001779400000000 ] - [ -0.0002764900000000, -0.0006527000000000, 0.0005037300000000 ] - [ 0.0009389400000000, 0.0035162000000000, 0.0020170100000000 ] - [ -0.0011430400000000, -0.0017843200000000, -0.0007841800000000 ] - [ -0.0010766700000000, 0.0028140600000000, 0.0000003900000000 ] - [ 0.0001517300000000, -0.0020245600000000, 0.0012741400000000 ] - [ -0.0005822700000000, 0.0034899400000000, 0.0006201000000000 ] - [ 0.0005086300000000, -0.0016099100000000, -0.0006818500000000 ] - [ 0.0011947500000000, 0.0037866100000000, -0.0007810800000000 ] - [ -0.0009533800000000, -0.0028007200000000, 0.0010026500000000 ] - [ -0.0001263200000000, -0.0005190300000000, -0.0000968400000000 ] - [ -0.0000148000000000, -0.0015489400000000, -0.0005315600000000 ] - [ -0.0002209500000000, -0.0002562500000000, 0.0001052500000000 ] - [ 0.0000271800000000, -0.0014470300000000, -0.0000921700000000 ] - [ 0.0002104700000000, 0.0002631400000000, -0.0026947100000000 ] - [ 0.0001145500000000, -0.0007828700000000, -0.0001757800000000 ] - [ 0.0000853000000000, 0.0002634000000000, -0.0009532500000000 ] - [ -0.0001112400000000, -0.0004241200000000, -0.0010056000000000 ] - [ -0.0019143000000000, -0.0004547400000000, -0.0008222700000000 ] - [ 0.0003302400000000, -0.0005565400000000, 0.0003416300000000 ] - [ 0.0009953200000000, -0.0000827900000000, 0.0004961200000000 ] - [ 0.0000985500000000, -0.0005728000000000, 0.0004292200000000 ] - [ -0.0005699800000000, 0.0018033200000000, 0.0009175300000000 ] - [ -0.0004134700000000, -0.0013272000000000, 0.0004735400000000 ] - [ 0.0036884900000000, 0.0024083700000000, -0.0001324600000000 ] - [ 0.0004542900000000, -0.0014394400000000, -0.0001159800000000 ] - [ -0.0024072100000000, 0.0035362200000000, 0.0038318300000000 ] - [ 0.0003272900000000, -0.0015522500000000, -0.0020774700000000 ] - [ 0.0031723000000000, 0.0028605400000000, 0.0008300000000000 ] - [ -0.0002387400000000, -0.0016101000000000, 0.0000128200000000 ] - [ -0.0006528600000000, 0.0138045400000000, -0.0040405400000000 ] - [ 0.0002941100000000, -0.0039078000000000, 0.0009166800000000 ] - [ 0.0008711900000000, 0.0074570200000000, 0.0017224100000000 ] - [ 0.0000243100000000, -0.0044351700000000, -0.0012237300000000 ] - [ -0.0010406200000000, -0.0037071300000000, 0.0013441500000000 ] - [ 0.0038871300000000, -0.0054622000000000, 0.0009911300000000 ] - [ 0.0020973700000000, 0.0004201200000000, 0.0015933900000000 ] - [ -0.0012541800000000, -0.0021845500000000, -0.0017499000000000 ] - [ -0.0000831600000000, -0.0022086200000000, -0.0026245000000000 ] - [ 0.0027834000000000, -0.0029862400000000, -0.0008647200000000 ] - [ 0.0032226200000000, -0.0004030900000000, -0.0029247500000000 ] - [ -0.0018808600000000, -0.0039147500000000, 0.0030266700000000 ] - [ -0.0040006700000000, 0.0036705600000000, 0.0016544100000000 ] - [ 0.0017269000000000, -0.0020077300000000, 0.0005399400000000 ] - [ 0.0189576000000000, 0.0053821300000000, 0.0066452400000000 ] - [ -0.0015011300000000, -0.0018772300000000, 0.0000206800000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035260000000000, 0.0024954800000000, 0.0187625900000000 ] - [ -0.0010509400000000, -0.0073617500000000, -0.0000531100000000 ] - [ 0.0132121100000000, -0.0568010000000000, 0.0384104000000000 ] - [ -0.0005058200000000, -0.0076512000000000, -0.0007318100000000 ] - [ 0.0282547500000000, -0.0012693100000000, -0.0070292100000000 ] - [ -0.0009791900000000, -0.0060860800000000, 0.0012589600000000 ] - [ -0.0054145000000000, 0.0033274900000000, -0.0035138400000000 ] - [ 0.0011971900000000, -0.0051602000000000, 0.0012951400000000 ] - [ 0.0003703300000000, 0.0039081500000000, -0.0011944500000000 ] - [ -0.0003374900000000, -0.0033512900000000, -0.0000553300000000 ] - [ -0.0010984500000000, 0.0037372500000000, 0.0002831600000000 ] - [ 0.0008326500000000, -0.0045440300000000, -0.0005710200000000 ] - [ -0.0258469200000000, -0.0010964500000000, -0.0061349600000000 ] - [ 0.0018202900000000, -0.0070961700000000, -0.0000058400000000 ] - [ 0.0045632600000000, 0.0046576800000000, 0.0002144800000000 ] - [ -0.0010636800000000, -0.0054994100000000, 0.0002833300000000 ] - [ -0.0010075700000000, -0.0043893300000000, -0.0043843300000000 ] - [ 0.0062021300000000, -0.0072891500000000, 0.0043788600000000 ] - [ 0.0086124200000000, -0.0119026000000000, -0.0095496000000000 ] - [ -0.0040693800000000, -0.0102629700000000, 0.0014265900000000 ] - [ 0.0001540400000000, 0.7280812600000000, -0.0050497600000000 ] - [ -0.0001763700000000, -0.0069347100000000, 0.0007268900000000 ] - [ 0.0027862600000000, 0.0174389900000000, 0.0130265100000000 ] - [ 0.0002611200000000, -0.0055309700000000, -0.0003629600000000 ] - [ 0.0038062100000000, -0.0016482000000000, -0.0035183400000000 ] - [ -0.0017508700000000, -0.0023308100000000, 0.0006416400000000 ] - [ -0.0150085400000000, -0.0098508700000000, -0.0066996800000000 ] - [ 0.0019095300000000, -0.0098664500000000, 0.0015879800000000 ] - [ 0.0002298700000000, 0.0119565000000000, 0.0045465800000000 ] - [ -0.0001928300000000, -0.0053846100000000, -0.0004366800000000 ] - [ 0.0013786300000000, 0.0098701500000000, -0.0019996000000000 ] - [ -0.0001871800000000, -0.0046524900000000, 0.0001583900000000 ] - [ 0.0012614400000000, -0.0018122900000000, -0.0027779400000000 ] - [ 0.0001496200000000, -0.0011608600000000, 0.0003816100000000 ] - [ 0.0003690200000000, -0.0012633700000000, -0.0004356000000000 ] - [ -0.0000102800000000, -0.0012550100000000, -0.0000842900000000 ] - [ -0.0029726100000000, 0.0113004200000000, 0.0041013000000000 ] - [ 0.0009026200000000, -0.0056500900000000, -0.0010291600000000 ] - [ 0.0174145800000000, 0.0196895300000000, 0.0023347400000000 ] - [ -0.0009646300000000, -0.0051574600000000, -0.0000957100000000 ] - [ -0.0017779100000000, -0.0023364900000000, -0.0021156800000000 ] - [ -0.0012598700000000, 0.0018759400000000, -0.0005520500000000 ] - [ -0.0960839800000000, -0.1145991300000000, -0.0263876800000000 ] - [ 0.0010380900000000, 0.0019781100000000, -0.0002007500000000 ] - [ -0.0071457600000000, 0.0104779800000000, 0.0081668100000000 ] - [ -0.0006845700000000, 0.0030752500000000, 0.0009398400000000 ] - [ 0.0000066200000000, 0.0005057600000000, 0.0000845800000000 ] - [ -0.0000768300000000, 0.0036523200000000, -0.0031391300000000 ] - [ 0.0022743600000000, 0.0030648500000000, -0.0013241600000000 ] - [ 0.0005914700000000, 0.0041544700000000, 0.0033049200000000 ] - [ -0.0057962600000000, 0.0095963000000000, -0.0073847000000000 ] - [ -0.0000478600000000, 0.0027922500000000, 0.0003703700000000 ] - [ -0.0006795200000000, -0.0122845800000000, -0.0056219200000000 ] - [ 0.0000950500000000, 0.0049428800000000, 0.0014033300000000 ] - [ -0.0054694600000000, -0.3482900900000000, 0.0227536900000000 ] - [ -0.0003308400000000, 0.0046147800000000, -0.0010414700000000 ] - [ 0.0156851800000000, -0.0865395800000000, 0.0589624500000000 ] - [ 0.0001421900000000, 0.0020043300000000, -0.0002322400000000 ] - [ 0.0002225100000000, -0.0053304800000000, -0.0142504600000000 ] - [ -0.0001110300000000, 0.0016944100000000, 0.0023287700000000 ] - [ 0.0798400900000000, -0.1258541900000000, -0.0745173700000000 ] - [ -0.0007011800000000, 0.0018998500000000, 0.0001632300000000 ] - [ 0.0011948400000000, -0.0023866700000000, -0.0016062000000000 ] - [ 0.0008885000000000, 0.0016976100000000, -0.0007368900000000 ] - [ -0.0015050800000000, 0.0003213000000000, -0.0006834300000000 ] - [ 0.0000365600000000, 0.0009510100000000, -0.0003334900000000 ] - [ 0.0121386700000000, 0.0090648800000000, 0.0037964800000000 ] - [ 0.0004898100000000, 0.0023757600000000, 0.0001409900000000 ] - [ 0.0031816200000000, 0.0011026300000000, 0.0042279400000000 ] - [ -0.0005375400000000, 0.0024112000000000, -0.0010430700000000 ] - [ -0.0012343900000000, 0.0013120900000000, 0.0047951400000000 ] - [ 0.0004910800000000, 0.0008809400000000, 0.0009488100000000 ] - [ -0.0014852300000000, 0.0062332200000000, -0.0010673600000000 ] - [ 0.0026706100000000, 0.0060535700000000, -0.0000876000000000 ] - [ 0.0006735400000000, 0.0016284800000000, 0.0003795900000000 ] - [ -0.0006132600000000, 0.0027364900000000, 0.0013451300000000 ] - [ -0.0030912800000000, -0.0062682800000000, 0.0035446500000000 ] - [ 0.0011792200000000, 0.0030387600000000, -0.0012644200000000 ] - [ 0.0032715200000000, -0.0057512800000000, -0.0022291400000000 ] - [ -0.0007609800000000, 0.0019739100000000, 0.0009179500000000 ] - [ -0.0041715200000000, -0.0067830200000000, -0.0057898900000000 ] - [ 0.0014196000000000, 0.0020998700000000, 0.0010829600000000 ] - [ 0.0022082200000000, -0.0035188200000000, 0.0022921700000000 ] - [ -0.0003687700000000, 0.0022721000000000, -0.0016191100000000 ] - [ -0.0024823600000000, -0.0007352600000000, 0.0007211900000000 ] - [ 0.0017277600000000, 0.0012384700000000, -0.0007144700000000 ] - [ 0.0064503000000000, -0.0008607700000000, -0.0005103000000000 ] - [ -0.0027258000000000, 0.0027801200000000, 0.0000053700000000 ] - [ -0.0038813000000000, 0.0012126700000000, 0.0014087100000000 ] - [ -0.0002329300000000, 0.0008275200000000, 0.0002477700000000 ] - [ 0.0003353200000000, -0.0001375400000000, 0.0005752000000000 ] - [ -0.0000990600000000, 0.0004697300000000, 0.0002438500000000 ] - [ -0.0018243100000000, -0.0031176700000000, -0.0013108900000000 ] - [ 0.0002473100000000, 0.0021802300000000, 0.0014915600000000 ] - [ 0.0001833300000000, -0.0032097200000000, 0.0007097800000000 ] - [ -0.0010481900000000, 0.0016330900000000, -0.0005718800000000 ] - [ 0.0002476300000000, -0.0025306600000000, -0.0004056200000000 ] - [ -0.0008580100000000, 0.0025830400000000, 0.0009105200000000 ] - [ -0.0015379700000000, -0.0047511700000000, 0.0010071900000000 ] - [ 0.0006090900000000, 0.0018405400000000, -0.0007826100000000 ] - [ -0.0001481300000000, -0.0002248600000000, -0.0002527900000000 ] - [ -0.0002609500000000, 0.0008225400000000, 0.0001867200000000 ] - [ -0.0000531400000000, 0.0009965400000000, -0.0004550100000000 ] - [ -0.0003033800000000, 0.0021799800000000, -0.0002517500000000 ] - [ -0.0002115600000000, -0.0004889000000000, 0.0008479700000000 ] - [ -0.0001171300000000, 0.0005601000000000, -0.0016717000000000 ] - [ -0.0000896700000000, -0.0000413300000000, -0.0008882400000000 ] - [ 0.0001080400000000, 0.0006485600000000, -0.0008351000000000 ] - [ 0.0021801900000000, 0.0005400300000000, 0.0013995100000000 ] - [ -0.0000474200000000, 0.0006530500000000, 0.0002477900000000 ] - [ -0.0007159600000000, -0.0000144600000000, 0.0000951200000000 ] - [ 0.0001913300000000, 0.0004788400000000, 0.0001584200000000 ] - [ 0.0002873500000000, -0.0019014200000000, -0.0003290800000000 ] - [ 0.0001416600000000, 0.0012357100000000, 0.0001084200000000 ] - [ -0.0039745400000000, -0.0023116900000000, 0.0007222700000000 ] - [ -0.0007227000000000, 0.0015339000000000, 0.0006969800000000 ] - [ 0.0024013300000000, -0.0033205200000000, -0.0056601200000000 ] - [ -0.0003234900000000, 0.0017772900000000, 0.0002374600000000 ] - [ -0.0031761000000000, -0.0030821300000000, -0.0026827800000000 ] - [ 0.0002498300000000, 0.0013908100000000, -0.0018522400000000 ] - [ 0.0009157300000000, -0.0130745500000000, 0.0036901700000000 ] - [ -0.0000162500000000, 0.0046601800000000, -0.0012649500000000 ] - [ -0.0006000000000000, -0.0081947200000000, -0.0020668500000000 ] - [ 0.0002573600000000, 0.0037031100000000, 0.0008803700000000 ] - [ 0.0014222900000000, 0.0027293300000000, -0.0011112500000000 ] - [ -0.0035483500000000, 0.0045050600000000, -0.0007656300000000 ] - [ -0.0017691800000000, 0.0005472300000000, -0.0013785600000000 ] - [ 0.0016086500000000, 0.0031525200000000, 0.0019773300000000 ] - [ 0.0009970600000000, 0.0025873700000000, 0.0033322400000000 ] - [ -0.0019049800000000, 0.0033985200000000, 0.0015759400000000 ] - [ -0.0023347500000000, 0.0000153200000000, 0.0036288900000000 ] - [ 0.0027984700000000, 0.0035432700000000, -0.0023383600000000 ] - [ 0.0043662200000000, -0.0038715000000000, -0.0008961800000000 ] - [ -0.0013547400000000, 0.0018290600000000, 0.0002117400000000 ] - [ -0.0185748700000000, -0.0052007800000000, -0.0058820000000000 ] - [ 0.0018798700000000, 0.0020714500000000, 0.0007323000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0185686600000000, -0.0328173000000000, 0.0625623500000000 ] - [ -0.0001760700000000, -0.0005664300000000, 0.0002348900000000 ] - [ 0.0010500800000000, -0.0139567800000000, 0.0057049700000000 ] - [ 0.0013965700000000, 0.0003397300000000, -0.0006329700000000 ] - [ -0.0358091200000000, 0.0139709000000000, 0.0063981300000000 ] - [ 0.0003584300000000, -0.0001157900000000, 0.0005356400000000 ] - [ 0.0036788500000000, 0.0021943700000000, 0.0016690400000000 ] - [ 0.0007810600000000, -0.0011139200000000, -0.0004840400000000 ] - [ -0.0012986100000000, 0.0005931000000000, 0.0018044400000000 ] - [ -0.0003284800000000, 0.0001920000000000, -0.0002139200000000 ] - [ -0.0002801400000000, -0.0012258700000000, -0.0016216400000000 ] - [ -0.0011567200000000, 0.0009639400000000, -0.0009029700000000 ] - [ 0.0144465400000000, 0.0069504100000000, -0.0016532600000000 ] - [ 0.0001219300000000, -0.0006815400000000, -0.0004047100000000 ] - [ -0.0017897000000000, 0.0027280900000000, 0.0017824000000000 ] - [ -0.0008779100000000, -0.0012760300000000, 0.0010504800000000 ] - [ -0.0035174300000000, -0.0006719700000000, 0.0098362200000000 ] - [ 0.0005019800000000, -0.0001318300000000, 0.0009723400000000 ] - [ 0.0012649300000000, -0.0006103600000000, -0.0023651300000000 ] - [ -0.0119264300000000, -0.0078649700000000, -0.0120873900000000 ] - [ -0.0017708600000000, 0.0149450500000000, -0.7446979800000000 ] - [ 0.0002690500000000, -0.0007517200000000, 0.0001587200000000 ] - [ 0.0003339600000000, 0.0130544000000000, 0.0158824200000000 ] - [ 0.0006007100000000, -0.0003295100000000, 0.0008103000000000 ] - [ 0.0090781600000000, -0.0034946300000000, 0.0176826400000000 ] - [ -0.0000053100000000, 0.0006736600000000, 0.0006168500000000 ] - [ -0.0012633400000000, -0.0016116600000000, -0.0026204800000000 ] - [ 0.0010998200000000, 0.0066772800000000, -0.0026156800000000 ] - [ 0.0017445500000000, -0.0049911900000000, -0.0077669700000000 ] - [ 0.0001157800000000, -0.0001786800000000, -0.0003207400000000 ] - [ -0.0045123600000000, -0.0048236500000000, 0.0059858000000000 ] - [ 0.0002213100000000, 0.0003222200000000, 0.0005016800000000 ] - [ -0.0036114000000000, 0.0028129000000000, 0.0027153900000000 ] - [ -0.0000282800000000, -0.0003517400000000, -0.0001426000000000 ] - [ -0.0000099100000000, -0.0001085800000000, -0.0011232300000000 ] - [ -0.0003938300000000, -0.0004622800000000, -0.0011236400000000 ] - [ -0.0176157200000000, 0.0040784600000000, -0.0075154700000000 ] - [ -0.0002662100000000, -0.0010574800000000, -0.0004492800000000 ] - [ 0.0039165000000000, -0.0023048200000000, 0.0024242300000000 ] - [ -0.0006862500000000, 0.0001277800000000, 0.0002214900000000 ] - [ 0.0008161900000000, -0.0023455900000000, -0.0026260700000000 ] - [ -0.0005910600000000, 0.0004839800000000, -0.0006400100000000 ] - [ 0.0622779300000000, 0.0245708700000000, 0.0929542100000000 ] - [ -0.0001685100000000, 0.0000085100000000, -0.0003453500000000 ] - [ -0.0014455200000000, 0.0013356900000000, 0.0012222500000000 ] - [ -0.0005645100000000, 0.0023220400000000, 0.0033947000000000 ] - [ 0.0046139400000000, 0.0066889400000000, -0.0110682000000000 ] - [ -0.0004150400000000, 0.0003107600000000, -0.0005649600000000 ] - [ 0.0086798000000000, 0.0120011100000000, 0.0057695000000000 ] - [ -0.0001681200000000, -0.0002544200000000, 0.0003892900000000 ] - [ -0.0003669800000000, 0.0010555900000000, -0.0005247400000000 ] - [ -0.0007859600000000, 0.0011683200000000, -0.0024650200000000 ] - [ -0.0003253300000000, -0.0097847500000000, -0.0105158300000000 ] - [ -0.0001902800000000, 0.0007640600000000, 0.0002020000000000 ] - [ -0.0017234100000000, -0.0384370900000000, 0.0782003900000000 ] - [ -0.0002506100000000, -0.0000606000000000, 0.0001680300000000 ] - [ 0.0709397800000000, -0.0522148600000000, 0.3472172400000000 ] - [ -0.0000372700000000, 0.0001959900000000, 0.0009823800000000 ] - [ -0.0007735400000000, -0.0018622400000000, -0.0085227500000000 ] - [ -0.0001349800000000, -0.0000675200000000, 0.0007556500000000 ] - [ -0.1065437800000000, 0.0670670100000000, 0.1754103500000000 ] - [ -0.0000630100000000, 0.0001272500000000, -0.0001989500000000 ] - [ -0.0005927500000000, -0.0028468400000000, -0.0035264200000000 ] - [ -0.0000494500000000, 0.0002788300000000, -0.0003806100000000 ] - [ -0.0116322700000000, 0.0063074000000000, -0.0099970800000000 ] - [ -0.0002392000000000, 0.0000468400000000, -0.0003596400000000 ] - [ 0.0013424700000000, 0.0014794100000000, 0.0005825300000000 ] - [ -0.0013292300000000, -0.0016089700000000, -0.0004119000000000 ] - [ -0.0000318800000000, -0.0003493800000000, 0.0024476700000000 ] - [ -0.0006242800000000, -0.0010283800000000, 0.0033930100000000 ] - [ -0.0007651600000000, -0.0032439300000000, -0.0109540900000000 ] - [ -0.0000166700000000, -0.0001696500000000, 0.0006805100000000 ] - [ 0.0005073300000000, -0.0079843700000000, 0.0039433500000000 ] - [ 0.0003395800000000, 0.0003314100000000, 0.0004699400000000 ] - [ 0.0000400700000000, -0.0000791700000000, -0.0000819600000000 ] - [ -0.0014263800000000, 0.0020743700000000, -0.0019790900000000 ] - [ 0.0047493600000000, 0.0053536100000000, -0.0048303400000000 ] - [ 0.0001346100000000, 0.0004998100000000, -0.0002138800000000 ] - [ -0.0030699600000000, 0.0006543600000000, 0.0020575900000000 ] - [ 0.0000517100000000, -0.0003534400000000, 0.0000868200000000 ] - [ 0.0039960000000000, 0.0036072300000000, 0.0070539300000000 ] - [ 0.0004368300000000, -0.0001565800000000, -0.0002715700000000 ] - [ -0.0002436200000000, 0.0021202400000000, -0.0031498700000000 ] - [ 0.0002857600000000, 0.0003531000000000, -0.0005868200000000 ] - [ -0.0020452000000000, 0.0002672800000000, -0.0029655000000000 ] - [ 0.0001028700000000, 0.0000025200000000, -0.0004074900000000 ] - [ 0.0002414200000000, 0.0002296200000000, 0.0001523400000000 ] - [ 0.0010588000000000, -0.0018432000000000, -0.0002085900000000 ] - [ 0.0064045900000000, -0.0027048200000000, -0.0010971900000000 ] - [ -0.0002323600000000, 0.0002509900000000, 0.0003497500000000 ] - [ -0.0005451300000000, -0.0002863800000000, 0.0004839000000000 ] - [ -0.0001001800000000, 0.0000208400000000, 0.0005382400000000 ] - [ 0.0006755600000000, 0.0016034300000000, 0.0003454400000000 ] - [ -0.0005329700000000, -0.0000397800000000, 0.0000770000000000 ] - [ -0.0000211700000000, -0.0000006100000000, 0.0021124200000000 ] - [ -0.0004134800000000, -0.0002505700000000, 0.0004617900000000 ] - [ 0.0016231000000000, -0.0001547500000000, -0.0021875700000000 ] - [ -0.0001512900000000, 0.0004394900000000, -0.0000071400000000 ] - [ -0.0004436400000000, 0.0000126000000000, 0.0015943500000000 ] - [ -0.0002078200000000, -0.0006977400000000, 0.0003137700000000 ] - [ -0.0000080800000000, -0.0002630000000000, -0.0000837400000000 ] - [ -0.0001199500000000, -0.0004528800000000, -0.0000471900000000 ] - [ -0.0000841300000000, 0.0009234900000000, -0.0003050300000000 ] - [ 0.0005122400000000, -0.0015645600000000, -0.0002444300000000 ] - [ 0.0006406100000000, -0.0000161300000000, -0.0031146600000000 ] - [ 0.0000315100000000, 0.0000453600000000, -0.0011380400000000 ] - [ 0.0000819700000000, 0.0002705900000000, -0.0002611200000000 ] - [ 0.0002172000000000, 0.0001978300000000, -0.0003011800000000 ] - [ -0.0000031700000000, -0.0007412600000000, 0.0000685600000000 ] - [ 0.0003281200000000, 0.0002502800000000, 0.0003671500000000 ] - [ 0.0006803400000000, -0.0003999000000000, 0.0005145600000000 ] - [ 0.0007461600000000, -0.0001417900000000, 0.0004878600000000 ] - [ 0.0054148200000000, 0.0004830100000000, -0.0003598800000000 ] - [ 0.0000537500000000, 0.0001437200000000, 0.0002220500000000 ] - [ -0.0013836000000000, 0.0007761100000000, 0.0006622400000000 ] - [ 0.0003859900000000, -0.0001534100000000, 0.0000895100000000 ] - [ 0.0010052900000000, 0.0009699700000000, 0.0055872200000000 ] - [ 0.0000321000000000, 0.0002950500000000, -0.0007413200000000 ] - [ -0.0002817600000000, 0.0006820700000000, -0.0034983800000000 ] - [ 0.0001869300000000, 0.0001203700000000, -0.0014277400000000 ] - [ -0.0015968800000000, 0.0019954300000000, -0.0012054700000000 ] - [ 0.0002125900000000, 0.0005646100000000, -0.0003137000000000 ] - [ 0.0025478200000000, -0.0031547500000000, -0.0001652600000000 ] - [ 0.0002488800000000, 0.0002679700000000, -0.0000343300000000 ] - [ 0.0031275100000000, -0.0040622700000000, 0.0048979600000000 ] - [ -0.0001108800000000, -0.0002426700000000, 0.0003855000000000 ] - [ 0.0000062600000000, 0.0000849300000000, -0.0004375000000000 ] - [ 0.0009211500000000, 0.0009247800000000, -0.0014747100000000 ] - [ 0.0020908200000000, -0.0025150700000000, -0.0041924400000000 ] - [ 0.0003588700000000, 0.0002986800000000, 0.0002309600000000 ] - [ 0.0000464600000000, -0.0009329800000000, 0.0012794600000000 ] - [ 0.0038204200000000, 0.0027712300000000, 0.0003016700000000 ] - [ 0.0162160800000000, -0.0032937400000000, 0.0005610600000000 ] - [ 0.0001455100000000, 0.0000630600000000, 0.0003926900000000 ] - [ -0.0020295900000000, 0.0012195000000000, -0.0006582400000000 ] - [ 0.0004155100000000, 0.0002529600000000, 0.0004258800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0182100900000000, 0.0322035200000000, -0.0617654700000000 ] - [ -0.0002606100000000, 0.0000731500000000, 0.0004448200000000 ] - [ -0.0015093400000000, 0.0145444500000000, -0.0049820800000000 ] - [ -0.0018266200000000, 0.0001674200000000, 0.0013215300000000 ] - [ 0.0363510500000000, -0.0135373700000000, -0.0056923900000000 ] - [ 0.0000798700000000, 0.0006278100000000, 0.0001474500000000 ] - [ -0.0032129900000000, -0.0026866000000000, -0.0009903700000000 ] - [ -0.0003459900000000, 0.0006204400000000, 0.0011594400000000 ] - [ 0.0008544900000000, -0.0001056200000000, -0.0024797200000000 ] - [ -0.0001089600000000, 0.0003180500000000, -0.0004665200000000 ] - [ -0.0001600900000000, 0.0007196100000000, 0.0009419800000000 ] - [ 0.0007129900000000, -0.0014548300000000, 0.0002210200000000 ] - [ -0.0140888600000000, -0.0074951800000000, 0.0010128200000000 ] - [ 0.0003131100000000, 0.0001858800000000, -0.0002772600000000 ] - [ 0.0022034500000000, -0.0022147000000000, -0.0024675200000000 ] - [ 0.0013141500000000, 0.0017818700000000, -0.0017340200000000 ] - [ 0.0035199700000000, 0.0011253000000000, -0.0098564100000000 ] - [ -0.0005073100000000, 0.0006302100000000, -0.0009700500000000 ] - [ -0.0012628100000000, 0.0001350600000000, 0.0023581800000000 ] - [ 0.0119246300000000, 0.0073918600000000, 0.0120711200000000 ] - [ -0.0111847900000000, -0.0035210000000000, 0.7221596900000000 ] - [ -0.0000286400000000, 0.0000901400000000, 0.0004561600000000 ] - [ -0.0001136100000000, -0.0123619200000000, -0.0153067500000000 ] - [ -0.0003565800000000, 0.0010065400000000, -0.0001966100000000 ] - [ -0.0093288200000000, 0.0041607800000000, -0.0170984400000000 ] - [ -0.0002330000000000, 0.0000070500000000, -0.0000003700000000 ] - [ 0.0010239200000000, 0.0009434200000000, 0.0032294600000000 ] - [ -0.0013380700000000, -0.0073114000000000, 0.0032331000000000 ] - [ -0.0017410000000000, 0.0044714000000000, 0.0077430400000000 ] - [ -0.0001161100000000, -0.0002958800000000, 0.0003204500000000 ] - [ 0.0045202400000000, 0.0052923700000000, -0.0059790300000000 ] - [ -0.0002209600000000, 0.0001723100000000, -0.0005003400000000 ] - [ 0.0038311700000000, -0.0021361400000000, -0.0033120900000000 ] - [ 0.0002672000000000, 0.0010254000000000, -0.0004737100000000 ] - [ 0.0002500200000000, -0.0005547900000000, 0.0005055600000000 ] - [ 0.0006310400000000, -0.0002064200000000, 0.0005051400000000 ] - [ 0.0173328800000000, -0.0047530700000000, 0.0068740800000000 ] - [ 0.0000241800000000, 0.0003923300000000, -0.0001655600000000 ] - [ -0.0041724100000000, 0.0029742900000000, -0.0030314200000000 ] - [ 0.0004442300000000, 0.0005489500000000, -0.0008348900000000 ] - [ -0.0012182900000000, 0.0025489800000000, 0.0018683800000000 ] - [ 0.0001702800000000, -0.0002717600000000, -0.0001224700000000 ] - [ -0.0625297400000000, -0.0248061000000000, -0.0927640400000000 ] - [ -0.0002553600000000, -0.0002223400000000, -0.0004166500000000 ] - [ 0.0005720900000000, -0.0017511600000000, -0.0019592800000000 ] - [ -0.0003088300000000, -0.0027433300000000, -0.0041332500000000 ] - [ -0.0054912700000000, -0.0062739100000000, 0.0103544500000000 ] - [ -0.0004606300000000, 0.0001040400000000, -0.0001694400000000 ] - [ -0.0089882000000000, -0.0129320900000000, -0.0059676200000000 ] - [ -0.0001461300000000, -0.0006833100000000, -0.0005810700000000 ] - [ 0.0000592100000000, -0.0001223200000000, 0.0003337900000000 ] - [ 0.0004757000000000, -0.0002296100000000, 0.0022778700000000 ] - [ 0.0000595100000000, 0.0104813800000000, 0.0108717000000000 ] - [ -0.0000840700000000, -0.0000846000000000, 0.0001336100000000 ] - [ 0.0015220800000000, 0.0362263100000000, -0.0770765700000000 ] - [ -0.0000240200000000, -0.0006258200000000, 0.0001712300000000 ] - [ -0.0649790900000000, 0.0461272700000000, -0.3202757700000000 ] - [ 0.0000416000000000, 0.0000107000000000, 0.0009129900000000 ] - [ 0.0007892600000000, 0.0016287800000000, 0.0104435800000000 ] - [ 0.0001408200000000, -0.0001396400000000, 0.0011354300000000 ] - [ 0.1137660700000000, -0.0713353100000000, -0.1798943700000000 ] - [ 0.0003775600000000, -0.0002455100000000, -0.0004195100000000 ] - [ 0.0008918800000000, 0.0029523900000000, 0.0029104300000000 ] - [ 0.0003592800000000, -0.0001632900000000, -0.0002328400000000 ] - [ 0.0113266200000000, -0.0061917700000000, 0.0093879800000000 ] - [ -0.0000822600000000, 0.0000702000000000, -0.0002588500000000 ] - [ -0.0016621400000000, -0.0015938700000000, -0.0012043700000000 ] - [ 0.0010020000000000, 0.0014834900000000, -0.0002104900000000 ] - [ 0.0000208500000000, 0.0005537100000000, -0.0005476600000000 ] - [ 0.0006131100000000, 0.0012284200000000, -0.0014921800000000 ] - [ 0.0007401700000000, 0.0030446500000000, 0.0128614800000000 ] - [ 0.0000050700000000, -0.0000383000000000, 0.0012095000000000 ] - [ -0.0002359700000000, 0.0072725900000000, -0.0035996000000000 ] - [ -0.0000704000000000, -0.0010155500000000, -0.0001294000000000 ] - [ 0.0002286800000000, 0.0007505200000000, 0.0004153800000000 ] - [ 0.0016996500000000, -0.0013941900000000, 0.0023181600000000 ] - [ -0.0044487900000000, -0.0044028200000000, 0.0046261600000000 ] - [ 0.0001712500000000, 0.0004348500000000, 0.0000219500000000 ] - [ 0.0033621600000000, -0.0015812000000000, -0.0022383000000000 ] - [ 0.0002566900000000, -0.0005848600000000, -0.0002807600000000 ] - [ -0.0031115300000000, -0.0040087200000000, -0.0077684400000000 ] - [ 0.0004306800000000, -0.0002640500000000, -0.0004679900000000 ] - [ 0.0011076300000000, -0.0016938600000000, 0.0024014300000000 ] - [ 0.0005855300000000, 0.0000617200000000, -0.0001465700000000 ] - [ 0.0024703700000000, -0.0000558800000000, 0.0022067400000000 ] - [ 0.0003178300000000, 0.0002069400000000, -0.0003546400000000 ] - [ 0.0001802700000000, -0.0004419600000000, -0.0009118600000000 ] - [ -0.0006303700000000, 0.0016214000000000, -0.0005539200000000 ] - [ -0.0067843400000000, 0.0028995100000000, 0.0018515400000000 ] - [ -0.0001852900000000, -0.0000404100000000, 0.0004115700000000 ] - [ 0.0001201200000000, 0.0000715300000000, 0.0002808300000000 ] - [ -0.0003206200000000, -0.0002315100000000, 0.0002249200000000 ] - [ -0.0015434900000000, -0.0011837700000000, 0.0003903700000000 ] - [ -0.0003410000000000, 0.0004547200000000, 0.0006570900000000 ] - [ -0.0008503100000000, -0.0004117300000000, -0.0013717900000000 ] - [ -0.0004554400000000, -0.0001704400000000, 0.0002777000000000 ] - [ -0.0019323700000000, 0.0010945000000000, 0.0023799600000000 ] - [ -0.0001562100000000, 0.0004946100000000, 0.0001986800000000 ] - [ 0.0001384500000000, -0.0009404200000000, -0.0013981300000000 ] - [ -0.0001016100000000, -0.0002406800000000, -0.0001187400000000 ] - [ -0.0002604800000000, -0.0004156900000000, -0.0002508000000000 ] - [ -0.0001477800000000, -0.0002307300000000, -0.0002876100000000 ] - [ -0.0001833000000000, -0.0002423500000000, -0.0000316300000000 ] - [ -0.0007775700000000, 0.0022361400000000, -0.0000937700000000 ] - [ -0.0006256700000000, -0.0001886200000000, 0.0012069700000000 ] - [ -0.0000194400000000, -0.0002545900000000, -0.0007548800000000 ] - [ -0.0000695800000000, -0.0000646300000000, -0.0016316300000000 ] - [ -0.0002056300000000, 0.0000103200000000, -0.0015895400000000 ] - [ 0.0003186400000000, 0.0008539900000000, 0.0005460600000000 ] - [ -0.0000063300000000, -0.0001337000000000, 0.0002513700000000 ] - [ -0.0003542100000000, 0.0002787100000000, 0.0001081900000000 ] - [ -0.0004242500000000, 0.0000246300000000, 0.0001314700000000 ] - [ -0.0057183800000000, -0.0005979500000000, 0.0009777000000000 ] - [ -0.0003668600000000, -0.0002643200000000, 0.0003937800000000 ] - [ 0.0010737900000000, -0.0006590800000000, -0.0000460900000000 ] - [ -0.0006951300000000, 0.0002681800000000, 0.0005272200000000 ] - [ -0.0010122200000000, -0.0007606400000000, -0.0074636900000000 ] - [ -0.0000366700000000, -0.0000910100000000, -0.0011505000000000 ] - [ 0.0002761600000000, -0.0008878200000000, 0.0015963600000000 ] - [ -0.0001909700000000, -0.0003296900000000, -0.0004615300000000 ] - [ 0.0018753300000000, -0.0013089000000000, 0.0008561200000000 ] - [ 0.0000631200000000, 0.0001144500000000, -0.0000217100000000 ] - [ -0.0022688100000000, 0.0024804600000000, -0.0001666100000000 ] - [ 0.0000255300000000, -0.0009568600000000, -0.0003049000000000 ] - [ -0.0028184500000000, 0.0031141300000000, -0.0047005700000000 ] - [ 0.0004228800000000, -0.0006953900000000, -0.0001889800000000 ] - [ 0.0003001300000000, 0.0008464600000000, 0.0006261800000000 ] - [ -0.0006107300000000, 0.0000153600000000, 0.0016745000000000 ] - [ -0.0012143800000000, 0.0029515500000000, 0.0049405100000000 ] - [ 0.0005133200000000, 0.0001176200000000, 0.0005054000000000 ] - [ 0.0008258900000000, 0.0005143900000000, -0.0005389000000000 ] - [ -0.0029498900000000, -0.0031931900000000, 0.0004383900000000 ] - [ -0.0157736100000000, 0.0030952400000000, 0.0001932200000000 ] - [ 0.0002776400000000, -0.0002784200000000, 0.0003698100000000 ] - [ 0.0024565800000000, -0.0010075200000000, 0.0014115500000000 ] - [ 0.0000054600000000, -0.0000423600000000, 0.0003361800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0080558000000000, 0.0100779200000000, 0.0080243800000000 ] - [ 0.0024746200000000, 0.0017054600000000, 0.0002117400000000 ] - [ 0.0128100900000000, -0.0104169500000000, -0.0107678100000000 ] - [ 0.0002095600000000, 0.0015347100000000, 0.0002942900000000 ] - [ -0.0017019900000000, 0.0021918600000000, -0.0006897900000000 ] - [ -0.0003834900000000, -0.0008327600000000, 0.0003208500000000 ] - [ -0.0205209000000000, -0.0092013300000000, 0.0058328200000000 ] - [ -0.0000894500000000, 0.0011893900000000, 0.0006100500000000 ] - [ -0.0045029800000000, -0.0000502400000000, 0.0002907200000000 ] - [ -0.0023975400000000, 0.0018589500000000, 0.0002430700000000 ] - [ -0.0058743600000000, -0.0017778400000000, -0.0010874500000000 ] - [ -0.0007945800000000, 0.0003630900000000, -0.0003075100000000 ] - [ 0.0027969800000000, -0.0034241800000000, -0.0008858100000000 ] - [ -0.0003778900000000, 0.0024388900000000, -0.0001274500000000 ] - [ 0.0244240500000000, -0.0070796800000000, 0.0004893000000000 ] - [ 0.0005179100000000, 0.0014834300000000, -0.0002181900000000 ] - [ 0.0024328900000000, 0.0017393000000000, -0.0018571700000000 ] - [ 0.0117308800000000, 0.0073556800000000, 0.0084676300000000 ] - [ 0.0095104800000000, 0.0061141400000000, -0.0093559300000000 ] - [ 0.0021839600000000, 0.0006349900000000, 0.0010438500000000 ] - [ 0.0043712100000000, 0.0012208700000000, 0.0012960800000000 ] - [ 0.0016212100000000, 0.0007031400000000, -0.0000873700000000 ] - [ 0.3119052600000000, -0.0991412400000000, 0.0657930900000000 ] - [ 0.0005989900000000, 0.0015888700000000, 0.0003330600000000 ] - [ -0.0034253900000000, 0.0032593500000000, -0.0005489300000000 ] - [ -0.0003593200000000, -0.0059035600000000, 0.0002579000000000 ] - [ -0.0034745900000000, -0.0030260200000000, 0.0025631800000000 ] - [ -0.0004039000000000, 0.0011700800000000, 0.0003989500000000 ] - [ -0.0056663400000000, 0.0012378400000000, 0.0020125200000000 ] - [ -0.0006741900000000, 0.0003837400000000, -0.0002583600000000 ] - [ -0.0076059300000000, 0.0019502500000000, -0.0030606700000000 ] - [ -0.0006712300000000, 0.0008791300000000, 0.0000941400000000 ] - [ -0.0018722100000000, 0.0004467900000000, -0.0004037500000000 ] - [ -0.0020946100000000, 0.0008801900000000, 0.0000365100000000 ] - [ -0.0128422400000000, 0.0033119900000000, -0.0068537300000000 ] - [ -0.0004532500000000, -0.0003187000000000, -0.0002699900000000 ] - [ 0.0015358500000000, -0.0190595300000000, -0.0025351500000000 ] - [ -0.0003459300000000, 0.0013214300000000, -0.0000837000000000 ] - [ 0.0032165000000000, -0.0038027000000000, 0.0156368400000000 ] - [ -0.0000132600000000, 0.0018992700000000, -0.0003584700000000 ] - [ -0.4468173700000000, 0.1545146800000000, -0.0982981900000000 ] - [ -0.0002691800000000, -0.0001912700000000, -0.0003902000000000 ] - [ -0.0035194600000000, -0.0009650500000000, -0.0009785000000000 ] - [ -0.0012944600000000, -0.0008198300000000, -0.0005367400000000 ] - [ -0.0046598300000000, 0.0022593100000000, 0.0046155800000000 ] - [ -0.0007074400000000, -0.0006316100000000, -0.0007552800000000 ] - [ -0.0022503200000000, -0.0017104300000000, 0.0012867800000000 ] - [ -0.0033526100000000, -0.0020364700000000, 0.0002336900000000 ] - [ -0.0018715100000000, -0.0023990900000000, -0.0016586900000000 ] - [ -0.0029648700000000, -0.0027554100000000, -0.0000758500000000 ] - [ -0.0050116500000000, 0.0032895600000000, -0.0034768200000000 ] - [ -0.0004066500000000, -0.0000900600000000, 0.0003606600000000 ] - [ 0.0072985100000000, -0.0281951300000000, 0.0001471300000000 ] - [ -0.0003886900000000, -0.0006643800000000, -0.0000900700000000 ] - [ -0.0016250400000000, -0.0007463600000000, 0.0009595400000000 ] - [ -0.0003395500000000, -0.0011663000000000, 0.0004262000000000 ] - [ -0.0010094700000000, -0.0002053200000000, -0.0007568300000000 ] - [ -0.0003945800000000, -0.0002877400000000, 0.0012969000000000 ] - [ 0.0154307900000000, -0.0037048700000000, 0.0338703400000000 ] - [ -0.0001026600000000, -0.0004507100000000, 0.0007223500000000 ] - [ -0.0002559800000000, -0.0004953600000000, 0.0000918600000000 ] - [ -0.0005281700000000, 0.0000435600000000, -0.0000392000000000 ] - [ 0.0636206400000000, -0.0022030200000000, -0.0083249700000000 ] - [ -0.0002875800000000, -0.0004216700000000, -0.0001067400000000 ] - [ 0.0018626700000000, -0.0021167000000000, 0.0002655800000000 ] - [ -0.0016355300000000, 0.0015013200000000, -0.0009133900000000 ] - [ 0.0007571800000000, 0.0013253000000000, 0.0004099000000000 ] - [ -0.0004432000000000, -0.0004989800000000, -0.0004366000000000 ] - [ 0.0007644300000000, 0.0018766700000000, -0.0020346300000000 ] - [ 0.0000691700000000, -0.0002889400000000, 0.0010341100000000 ] - [ 0.0006991300000000, -0.0008095000000000, 0.0010592800000000 ] - [ -0.0000107700000000, 0.0011006800000000, 0.0016288700000000 ] - [ 0.0002155500000000, -0.0015070100000000, 0.0004428400000000 ] - [ 0.0007251200000000, 0.0017666000000000, -0.0006528800000000 ] - [ 0.0007056800000000, 0.0055886200000000, 0.0013458700000000 ] - [ 0.0007095400000000, -0.0014893500000000, -0.0000931500000000 ] - [ 0.0021611800000000, 0.0002149500000000, 0.0002659700000000 ] - [ 0.0003657400000000, 0.0004909300000000, -0.0001675600000000 ] - [ 0.0034265000000000, -0.0028582800000000, -0.0025890100000000 ] - [ 0.0004807100000000, -0.0009262900000000, -0.0003002300000000 ] - [ 0.0015241200000000, -0.0003539000000000, -0.0004189800000000 ] - [ 0.0006415100000000, -0.0001684700000000, -0.0002140200000000 ] - [ 0.0049149000000000, -0.0018035800000000, 0.0026512100000000 ] - [ 0.0007304300000000, -0.0001950900000000, -0.0001237800000000 ] - [ 0.0019386700000000, 0.0000829100000000, -0.0005477000000000 ] - [ 0.0019461100000000, 0.0016014100000000, -0.0007289900000000 ] - [ 0.0027038600000000, -0.0002542000000000, -0.0009979100000000 ] - [ 0.0007341500000000, -0.0005495300000000, -0.0004803700000000 ] - [ 0.0012817900000000, -0.0004593000000000, 0.0002002100000000 ] - [ 0.0012785500000000, -0.0003153700000000, 0.0000944900000000 ] - [ 0.0103810700000000, 0.0025314600000000, -0.0001693900000000 ] - [ 0.0002068100000000, -0.0000911700000000, 0.0002839700000000 ] - [ 0.0022983400000000, 0.0016090100000000, 0.0026296500000000 ] - [ -0.0003319200000000, -0.0000032300000000, 0.0002768900000000 ] - [ 0.0013209100000000, -0.0010873800000000, 0.0009313700000000 ] - [ 0.0000358500000000, -0.0006770500000000, 0.0007448600000000 ] - [ 0.0023369100000000, -0.0009498500000000, -0.0005677500000000 ] - [ 0.0003281800000000, -0.0000559400000000, -0.0002141400000000 ] - [ 0.0022024900000000, 0.0007937800000000, -0.0012056100000000 ] - [ -0.0000506300000000, -0.0007091000000000, 0.0002053500000000 ] - [ 0.0001817400000000, -0.0003535700000000, -0.0002162000000000 ] - [ 0.0021997900000000, -0.0029002500000000, 0.0002239100000000 ] - [ 0.0006402000000000, 0.0003045300000000, -0.0003454900000000 ] - [ 0.0001786000000000, 0.0001942400000000, -0.0001048300000000 ] - [ 0.0005171800000000, -0.0000586300000000, -0.0010192900000000 ] - [ 0.0006503300000000, -0.0003912000000000, -0.0011498300000000 ] - [ 0.0023951100000000, 0.0001999700000000, 0.0016077800000000 ] - [ 0.0001229800000000, 0.0000371600000000, -0.0010178100000000 ] - [ 0.0010373700000000, 0.0005212000000000, 0.0006611800000000 ] - [ 0.0009867200000000, 0.0000378800000000, 0.0005225500000000 ] - [ 0.0181301400000000, -0.0071196900000000, 0.0081482000000000 ] - [ 0.0003796800000000, -0.0002015700000000, 0.0003890600000000 ] - [ 0.0023511500000000, 0.0037589300000000, -0.0009365200000000 ] - [ 0.0000313800000000, -0.0004973200000000, 0.0003051600000000 ] - [ 0.0018540300000000, -0.0004611300000000, -0.0030929800000000 ] - [ 0.0001532300000000, -0.0003610900000000, 0.0001628400000000 ] - [ -0.0004849100000000, 0.0036623800000000, 0.0019691600000000 ] - [ 0.0000846600000000, -0.0004483700000000, -0.0013650100000000 ] - [ 0.0048981300000000, 0.0033701200000000, -0.0146375100000000 ] - [ -0.0000322800000000, -0.0005151100000000, -0.0006985100000000 ] - [ -0.0007265100000000, 0.0042512900000000, -0.0030590200000000 ] - [ 0.0002077300000000, -0.0009692300000000, 0.0001646600000000 ] - [ 0.0061012600000000, 0.0139973400000000, 0.0066698800000000 ] - [ 0.0000947700000000, -0.0014805500000000, -0.0004756300000000 ] - [ -0.0007744500000000, 0.0001625000000000, -0.0004665500000000 ] - [ -0.0003469400000000, -0.0028555300000000, 0.0024930800000000 ] - [ -0.0036451900000000, -0.0111227900000000, -0.0071860900000000 ] - [ -0.0006532100000000, -0.0003042300000000, -0.0000276000000000 ] - [ -0.0005678300000000, 0.0007329200000000, 0.0013586100000000 ] - [ -0.0004411900000000, -0.0018849600000000, -0.0022482900000000 ] - [ -0.0039734500000000, -0.0088903700000000, 0.0109500200000000 ] - [ -0.0001399600000000, -0.0006882300000000, 0.0005304400000000 ] - [ -0.0058280200000000, 0.0044829900000000, -0.0004823600000000 ] - [ 0.0003270000000000, -0.0006678000000000, 0.0004227600000000 ] - [ -0.0050744500000000, -0.0003509400000000, -0.0029882100000000 ] - [ -0.0002535300000000, -0.0003794100000000, 0.0003074100000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0085101000000000, -0.0106845500000000, -0.0073891800000000 ] - [ -0.0029026300000000, -0.0022047800000000, 0.0004663200000000 ] - [ -0.0132434400000000, 0.0109574100000000, 0.0115303800000000 ] - [ -0.0006355700000000, -0.0010400500000000, 0.0003874300000000 ] - [ 0.0021530800000000, -0.0016837100000000, 0.0013778200000000 ] - [ 0.0008201700000000, 0.0013329900000000, 0.0003594100000000 ] - [ 0.0209349200000000, 0.0086890100000000, -0.0051561000000000 ] - [ 0.0005216200000000, -0.0017044900000000, 0.0000683600000000 ] - [ 0.0040873700000000, 0.0005683000000000, -0.0009768300000000 ] - [ 0.0019762200000000, -0.0013810900000000, -0.0009335300000000 ] - [ 0.0054674400000000, 0.0012848300000000, 0.0004226400000000 ] - [ 0.0003690600000000, -0.0008728300000000, -0.0003733700000000 ] - [ -0.0023957100000000, 0.0029306700000000, 0.0002088400000000 ] - [ 0.0007955300000000, -0.0029525500000000, -0.0005505400000000 ] - [ -0.0263689300000000, 0.0086183500000000, -0.0016368600000000 ] - [ -0.0000941200000000, -0.0009920100000000, -0.0004653800000000 ] - [ -0.0024479500000000, -0.0012753900000000, 0.0018723300000000 ] - [ -0.0118498200000000, -0.0068512900000000, -0.0085161100000000 ] - [ -0.0095890600000000, -0.0066197100000000, 0.0093941600000000 ] - [ -0.0021982600000000, -0.0011343000000000, -0.0010519600000000 ] - [ -0.0041220200000000, -0.0018949000000000, -0.0007062300000000 ] - [ -0.0013679800000000, -0.0013751700000000, 0.0007023200000000 ] - [ -0.2915509700000000, 0.0904483100000000, -0.0591180100000000 ] - [ -0.0003429800000000, -0.0009297500000000, 0.0002795900000000 ] - [ 0.0032045100000000, -0.0026121600000000, 0.0011736500000000 ] - [ 0.0001250200000000, 0.0065629100000000, 0.0003532300000000 ] - [ 0.0032495800000000, 0.0023663800000000, -0.0019257700000000 ] - [ 0.0001533400000000, -0.0018438000000000, 0.0002165600000000 ] - [ 0.0056739200000000, -0.0016969600000000, -0.0020031100000000 ] - [ 0.0006818000000000, -0.0008804200000000, 0.0002628800000000 ] - [ 0.0076289000000000, -0.0014381900000000, 0.0030511400000000 ] - [ 0.0006777600000000, -0.0004045100000000, -0.0000967100000000 ] - [ 0.0021293400000000, 0.0002167700000000, -0.0002131500000000 ] - [ 0.0023517000000000, -0.0002286500000000, -0.0006587500000000 ] - [ 0.0131719600000000, -0.0040220000000000, 0.0063002100000000 ] - [ 0.0007048300000000, -0.0003448000000000, -0.0003471400000000 ] - [ -0.0018819400000000, 0.0185441400000000, 0.0019170500000000 ] - [ 0.0000816100000000, -0.0019988600000000, -0.0005271700000000 ] - [ -0.0035894200000000, 0.0044995900000000, -0.0163846300000000 ] - [ -0.0002457100000000, -0.0012418800000000, -0.0002543600000000 ] - [ 0.4276662600000000, -0.1456891400000000, 0.0918286400000000 ] - [ -0.0001227300000000, 0.0003979900000000, -0.0003656000000000 ] - [ 0.0031451200000000, 0.0007649200000000, 0.0002275900000000 ] - [ 0.0009033500000000, 0.0006190900000000, -0.0002182900000000 ] - [ 0.0038129800000000, -0.0026882100000000, -0.0053746900000000 ] - [ -0.0001725600000000, 0.0002306400000000, 0.0000335100000000 ] - [ 0.0013856200000000, 0.0021346300000000, -0.0020270800000000 ] - [ 0.0024977200000000, 0.0024504100000000, -0.0009626100000000 ] - [ 0.0015623800000000, 0.0014666800000000, 0.0014678700000000 ] - [ 0.0026691000000000, 0.0018220500000000, -0.0001173100000000 ] - [ 0.0047402800000000, -0.0023903500000000, 0.0032869400000000 ] - [ 0.0000888500000000, 0.0010420000000000, -0.0005653500000000 ] - [ -0.0077568400000000, 0.0288334500000000, 0.0002649000000000 ] - [ 0.0001210700000000, 0.0013625200000000, 0.0004266300000000 ] - [ 0.0013582300000000, 0.0000499900000000, -0.0006178600000000 ] - [ 0.0000711400000000, 0.0004825300000000, -0.0000908800000000 ] - [ 0.0010174600000000, 0.0004183800000000, 0.0026553800000000 ] - [ 0.0004021900000000, 0.0005008700000000, 0.0005838100000000 ] - [ -0.0154060400000000, 0.0033675800000000, -0.0316534500000000 ] - [ 0.0001102900000000, 0.0002444000000000, 0.0011582200000000 ] - [ 0.0005557000000000, 0.0003905100000000, -0.0006932000000000 ] - [ 0.0008375100000000, -0.0001516000000000, -0.0005702900000000 ] - [ -0.0618203900000000, 0.0022222300000000, 0.0074443900000000 ] - [ 0.0005977100000000, 0.0005346100000000, -0.0004986000000000 ] - [ -0.0021969700000000, 0.0022415900000000, -0.0008773200000000 ] - [ 0.0013088400000000, -0.0013870600000000, 0.0002988000000000 ] - [ -0.0010936300000000, -0.0014476900000000, -0.0010358000000000 ] - [ 0.0001265300000000, 0.0003911500000000, -0.0001725100000000 ] - [ -0.0007848300000000, -0.0016615800000000, 0.0038957900000000 ] - [ -0.0000831900000000, 0.0005026900000000, 0.0008461100000000 ] - [ -0.0007150100000000, 0.0006003300000000, 0.0008114500000000 ] - [ -0.0000052300000000, -0.0013086400000000, 0.0002544900000000 ] - [ 0.0000468300000000, 0.0008168600000000, -0.0001075900000000 ] - [ -0.0004644100000000, -0.0024574300000000, 0.0009855500000000 ] - [ -0.0004516000000000, -0.0048902700000000, -0.0010029900000000 ] - [ -0.0004504200000000, 0.0021979200000000, 0.0004292900000000 ] - [ -0.0018657200000000, 0.0007101100000000, -0.0004554300000000 ] - [ -0.0000515100000000, 0.0004577400000000, -0.0000332400000000 ] - [ -0.0031092900000000, 0.0018967600000000, 0.0023807800000000 ] - [ -0.0001690500000000, -0.0000106700000000, 0.0001024600000000 ] - [ -0.0006551900000000, -0.0000685300000000, -0.0003182200000000 ] - [ 0.0002335400000000, -0.0002364000000000, -0.0005134700000000 ] - [ -0.0040468400000000, 0.0022018500000000, -0.0033683500000000 ] - [ 0.0001436100000000, 0.0006079800000000, -0.0006051000000000 ] - [ -0.0015676500000000, 0.0001143600000000, -0.0002041200000000 ] - [ -0.0015618600000000, -0.0013974900000000, -0.0000244900000000 ] - [ -0.0023278000000000, 0.0000539000000000, 0.0002411800000000 ] - [ -0.0003488900000000, 0.0003510100000000, -0.0002738000000000 ] - [ -0.0016751500000000, 0.0006594000000000, 0.0005544900000000 ] - [ -0.0016793700000000, 0.0005237000000000, 0.0006635600000000 ] - [ -0.0108130200000000, -0.0027382200000000, 0.0009195000000000 ] - [ -0.0006041200000000, -0.0001109600000000, 0.0004719200000000 ] - [ -0.0031854700000000, -0.0012131000000000, -0.0019072200000000 ] - [ -0.0005464900000000, 0.0004149900000000, 0.0004514900000000 ] - [ -0.0022014600000000, 0.0006706100000000, -0.0002035700000000 ] - [ -0.0009162300000000, 0.0002755100000000, -0.0000213700000000 ] - [ -0.0026602100000000, 0.0018868200000000, 0.0007711000000000 ] - [ -0.0006480500000000, 0.0010089800000000, 0.0004179500000000 ] - [ -0.0025261100000000, -0.0017502100000000, 0.0014068800000000 ] - [ -0.0002621400000000, -0.0002270600000000, -0.0000089100000000 ] - [ -0.0004479200000000, -0.0003385000000000, -0.0001199300000000 ] - [ -0.0024796300000000, 0.0022613800000000, -0.0005621400000000 ] - [ -0.0009068400000000, 0.0003949600000000, 0.0000092600000000 ] - [ -0.0004457400000000, 0.0005016300000000, -0.0002295700000000 ] - [ -0.0005082900000000, -0.0001543100000000, -0.0008563300000000 ] - [ -0.0006401800000000, 0.0001842100000000, -0.0007265000000000 ] - [ -0.0023952200000000, 0.0000086400000000, -0.0035343500000000 ] - [ -0.0001115700000000, 0.0001739700000000, -0.0008654800000000 ] - [ -0.0007238600000000, -0.0004147800000000, -0.0000547900000000 ] - [ -0.0006637100000000, 0.0000784900000000, 0.0000910300000000 ] - [ -0.0179920100000000, 0.0070687900000000, -0.0075892900000000 ] - [ -0.0000624900000000, 0.0000916900000000, 0.0002209800000000 ] - [ -0.0026619500000000, -0.0038989500000000, 0.0015517500000000 ] - [ -0.0003335100000000, 0.0003932700000000, 0.0002983500000000 ] - [ -0.0021597200000000, 0.0005722000000000, 0.0037323400000000 ] - [ -0.0004625800000000, 0.0004733600000000, 0.0004456600000000 ] - [ 0.0004894700000000, -0.0034863500000000, -0.0038673600000000 ] - [ -0.0000891800000000, 0.0006610600000000, -0.0005120400000000 ] - [ -0.0049656500000000, -0.0036286800000000, 0.0129212700000000 ] - [ 0.0000272200000000, 0.0003073200000000, -0.0011779200000000 ] - [ 0.0010111200000000, -0.0036021200000000, 0.0027464400000000 ] - [ 0.0000622500000000, 0.0016697900000000, -0.0005008300000000 ] - [ -0.0058873400000000, -0.0148458600000000, -0.0070951500000000 ] - [ 0.0001766400000000, 0.0007967500000000, 0.0001415700000000 ] - [ 0.0011024800000000, -0.0011131600000000, 0.0006715300000000 ] - [ 0.0006735800000000, 0.0019233100000000, -0.0023047200000000 ] - [ 0.0040278200000000, 0.0121534900000000, 0.0074433900000000 ] - [ 0.0009797200000000, 0.0012588900000000, 0.0002315000000000 ] - [ 0.0014538400000000, -0.0003265700000000, -0.0006370000000000 ] - [ 0.0013369600000000, 0.0022981700000000, 0.0029872100000000 ] - [ 0.0049250300000000, 0.0085403000000000, -0.0102983400000000 ] - [ 0.0010252000000000, 0.0002867000000000, 0.0001922200000000 ] - [ 0.0062985300000000, -0.0047161600000000, 0.0012572000000000 ] - [ 0.0000723800000000, 0.0004651100000000, 0.0003331800000000 ] - [ 0.0055449800000000, 0.0005696200000000, 0.0037561300000000 ] - [ 0.0006502700000000, 0.0005864100000000, 0.0004493400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041123200000000, -0.0127559400000000, -0.0083722600000000 ] - [ -0.0014711800000000, -0.0032558700000000, 0.0008163400000000 ] - [ -0.0040778000000000, 0.0063299100000000, 0.0017427600000000 ] - [ -0.0001729700000000, -0.0018459900000000, 0.0003972300000000 ] - [ 0.0016648800000000, 0.0002837800000000, 0.0013342400000000 ] - [ 0.0000923800000000, -0.0002869000000000, 0.0001318300000000 ] - [ 0.0021036800000000, 0.0024409400000000, -0.0005384100000000 ] - [ 0.0004320600000000, -0.0021415200000000, 0.0000937700000000 ] - [ 0.0004808400000000, 0.0007312500000000, -0.0005454000000000 ] - [ 0.0004787000000000, -0.0011054300000000, -0.0004639700000000 ] - [ 0.0010777100000000, 0.0015035300000000, 0.0001826400000000 ] - [ -0.0000021900000000, -0.0014419400000000, -0.0004080300000000 ] - [ -0.0010822500000000, 0.0007889700000000, -0.0005755600000000 ] - [ 0.0010100600000000, -0.0027749500000000, -0.0006867400000000 ] - [ -0.0067418500000000, 0.0104459000000000, -0.0004677100000000 ] - [ -0.0001238800000000, -0.0018429000000000, -0.0004126800000000 ] - [ -0.0019647500000000, -0.0026940100000000, 0.0020843400000000 ] - [ -0.0044610300000000, -0.0063916600000000, -0.0053687900000000 ] - [ -0.0038139500000000, -0.0039812700000000, 0.0060602500000000 ] - [ -0.0016428000000000, -0.0024059900000000, -0.0010914800000000 ] - [ -0.0009779200000000, 0.0020886700000000, -0.0021220700000000 ] - [ -0.0006165000000000, -0.0021102500000000, 0.0006966900000000 ] - [ -0.0927509900000000, 0.1151804100000000, -0.0240852200000000 ] - [ 0.0000164200000000, -0.0017418400000000, 0.0002006400000000 ] - [ 0.0035904100000000, -0.0025356400000000, 0.0020440400000000 ] - [ -0.0008264300000000, 0.0011112900000000, -0.0000195700000000 ] - [ 0.0001550900000000, 0.0005060800000000, 0.0004753900000000 ] - [ 0.0002060800000000, -0.0014754200000000, 0.0002160800000000 ] - [ 0.0011070000000000, 0.0012805000000000, -0.0003062600000000 ] - [ 0.0002446600000000, -0.0015318700000000, 0.0000724400000000 ] - [ 0.0019020900000000, 0.0020554300000000, 0.0002062900000000 ] - [ 0.0002443300000000, -0.0011199900000000, 0.0000349000000000 ] - [ 0.0004113600000000, -0.0002358100000000, -0.0001904600000000 ] - [ 0.0011687700000000, 0.0003757800000000, -0.0004961100000000 ] - [ 0.0041721700000000, -0.0014518400000000, 0.0024892700000000 ] - [ 0.0002739400000000, -0.0010630800000000, -0.0004637800000000 ] - [ -0.0050094800000000, 0.0049510800000000, -0.0014308600000000 ] - [ 0.0003749000000000, -0.0023060400000000, -0.0004647000000000 ] - [ -0.0006573400000000, 0.0041034200000000, -0.0035134100000000 ] - [ -0.0003002200000000, -0.0015930300000000, -0.0001455700000000 ] - [ 0.1485216300000000, -0.1267853400000000, 0.0376581400000000 ] - [ -0.0004889900000000, 0.0007137900000000, -0.0004215900000000 ] - [ 0.0006722700000000, -0.0003122300000000, 0.0000632700000000 ] - [ 0.0005303900000000, 0.0006280000000000, -0.0002640100000000 ] - [ 0.0012314600000000, -0.0014363000000000, -0.0027712100000000 ] - [ -0.0005326800000000, 0.0007539600000000, 0.0003817900000000 ] - [ 0.0011487400000000, 0.0026318200000000, -0.0023070200000000 ] - [ 0.0008697900000000, 0.0021259700000000, -0.0008568600000000 ] - [ 0.0013034100000000, 0.0019500700000000, 0.0016811800000000 ] - [ 0.0008103700000000, 0.0009918300000000, -0.0005041100000000 ] - [ 0.0014729800000000, -0.0000027200000000, 0.0022324700000000 ] - [ -0.0003360000000000, 0.0016635400000000, -0.0009039300000000 ] - [ -0.0380536300000000, 0.0345326400000000, -0.0021136400000000 ] - [ 0.0000272100000000, 0.0019546700000000, 0.0005644800000000 ] - [ 0.0002941400000000, -0.0025751700000000, 0.0009418600000000 ] - [ -0.0000903700000000, 0.0010509900000000, -0.0002311000000000 ] - [ 0.0000738500000000, -0.0006957400000000, 0.0037954100000000 ] - [ 0.0002241500000000, 0.0007077700000000, 0.0004154800000000 ] - [ -0.0020758200000000, -0.0150652000000000, -0.0025844100000000 ] - [ 0.0000152300000000, 0.0004769000000000, 0.0013104900000000 ] - [ -0.0000103700000000, -0.0003291300000000, -0.0001443700000000 ] - [ 0.0003727400000000, 0.0002413800000000, -0.0003600600000000 ] - [ 0.0053458200000000, -0.0143126300000000, -0.0015544900000000 ] - [ 0.0005631100000000, 0.0007042800000000, -0.0005046500000000 ] - [ -0.0031719800000000, 0.0026258600000000, -0.0011927900000000 ] - [ 0.0005495400000000, -0.0000765300000000, -0.0000639400000000 ] - [ -0.0003067500000000, -0.0006485600000000, -0.0006346300000000 ] - [ -0.0000567100000000, 0.0003168500000000, -0.0002344500000000 ] - [ 0.0000108100000000, -0.0003025800000000, 0.0011131100000000 ] - [ -0.0001136600000000, 0.0004645300000000, 0.0008889500000000 ] - [ -0.0007642300000000, 0.0003066700000000, 0.0002557800000000 ] - [ 0.0001777500000000, -0.0001337500000000, 0.0011074200000000 ] - [ 0.0000305900000000, 0.0003828600000000, 0.0000137900000000 ] - [ 0.0001011700000000, -0.0007803300000000, 0.0002292900000000 ] - [ 0.0002789700000000, -0.0005816600000000, 0.0000174000000000 ] - [ -0.0005081300000000, 0.0022729700000000, 0.0002999700000000 ] - [ -0.0008779800000000, -0.0003865300000000, 0.0001513200000000 ] - [ 0.0002944800000000, 0.0009860900000000, -0.0002872400000000 ] - [ -0.0001087300000000, -0.0010881400000000, -0.0001012200000000 ] - [ -0.0001548300000000, 0.0002498300000000, 0.0002171500000000 ] - [ -0.0001374100000000, -0.0008368100000000, -0.0007928200000000 ] - [ 0.0005549200000000, 0.0002258800000000, -0.0001537100000000 ] - [ -0.0000218100000000, -0.0004017000000000, -0.0001777400000000 ] - [ 0.0001426500000000, 0.0008432300000000, -0.0007555200000000 ] - [ -0.0013023600000000, 0.0000594700000000, -0.0003456800000000 ] - [ 0.0002105400000000, 0.0000570600000000, -0.0003280800000000 ] - [ 0.0000395700000000, -0.0003409800000000, -0.0004478000000000 ] - [ -0.0002592400000000, 0.0003052200000000, -0.0002788500000000 ] - [ -0.0006099900000000, 0.0002896500000000, 0.0003626100000000 ] - [ -0.0007571900000000, 0.0002912800000000, 0.0005105200000000 ] - [ -0.0028474100000000, -0.0008028500000000, 0.0003147500000000 ] - [ -0.0002076400000000, 0.0001579900000000, 0.0004105100000000 ] - [ -0.0012961000000000, -0.0008336600000000, -0.0004117200000000 ] - [ -0.0003233700000000, 0.0007092600000000, 0.0006289400000000 ] - [ -0.0005176400000000, -0.0006544500000000, 0.0006316100000000 ] - [ -0.0007527600000000, 0.0003801900000000, -0.0000061400000000 ] - [ -0.0004767600000000, 0.0000082000000000, 0.0000162000000000 ] - [ -0.0004918600000000, 0.0011459100000000, 0.0003944200000000 ] - [ -0.0008441500000000, -0.0014829100000000, 0.0005998500000000 ] - [ -0.0000226300000000, 0.0001131200000000, -0.0001374100000000 ] - [ -0.0002154400000000, 0.0001199900000000, -0.0000247200000000 ] - [ -0.0008951800000000, 0.0006843500000000, -0.0003553000000000 ] - [ -0.0004359800000000, 0.0000264500000000, -0.0000041700000000 ] - [ -0.0001523900000000, 0.0008756800000000, -0.0003243900000000 ] - [ -0.0000586900000000, -0.0000237100000000, -0.0010466600000000 ] - [ -0.0003193700000000, 0.0000392100000000, -0.0008482300000000 ] - [ -0.0007393300000000, -0.0001745300000000, -0.0023129500000000 ] - [ 0.0000026200000000, 0.0003616900000000, -0.0007253600000000 ] - [ 0.0002515200000000, 0.0000910000000000, 0.0003204500000000 ] - [ -0.0003593000000000, 0.0000545900000000, 0.0001944100000000 ] - [ -0.0064013600000000, 0.0023011600000000, -0.0025914100000000 ] - [ 0.0000502700000000, 0.0002333400000000, 0.0002515900000000 ] - [ 0.0005071200000000, -0.0009287600000000, 0.0003540800000000 ] - [ -0.0002375000000000, 0.0004156800000000, 0.0002552000000000 ] - [ -0.0003637700000000, -0.0004491400000000, 0.0007927000000000 ] - [ -0.0004272300000000, 0.0005718000000000, 0.0004451700000000 ] - [ 0.0007173100000000, -0.0008496000000000, -0.0006831700000000 ] - [ -0.0001460800000000, 0.0006845600000000, -0.0005353900000000 ] - [ -0.0005729900000000, -0.0028009500000000, 0.0026021900000000 ] - [ 0.0000535200000000, 0.0004571900000000, -0.0013140300000000 ] - [ 0.0005534700000000, -0.0022503600000000, 0.0007186500000000 ] - [ 0.0000448600000000, 0.0018616600000000, -0.0005496300000000 ] - [ 0.0014580800000000, -0.0057021000000000, -0.0010111400000000 ] - [ 0.0001477000000000, 0.0011381200000000, 0.0002180900000000 ] - [ 0.0005992300000000, -0.0003263800000000, 0.0004124300000000 ] - [ -0.0000478000000000, 0.0012885400000000, -0.0015524000000000 ] - [ -0.0005565700000000, 0.0075410900000000, 0.0041970100000000 ] - [ 0.0010549900000000, 0.0017746900000000, 0.0003762600000000 ] - [ 0.0010345400000000, 0.0003687600000000, -0.0002977300000000 ] - [ 0.0002029900000000, 0.0022216600000000, 0.0025114800000000 ] - [ 0.0006801900000000, 0.0041336500000000, -0.0057355000000000 ] - [ 0.0010687100000000, 0.0007120000000000, -0.0000196900000000 ] - [ 0.0047874700000000, -0.0013348000000000, 0.0019656200000000 ] - [ -0.0003726600000000, 0.0006526000000000, 0.0002418600000000 ] - [ 0.0006585300000000, -0.0010417000000000, 0.0011865600000000 ] - [ 0.0006777200000000, 0.0007309900000000, 0.0004410800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037025600000000, 0.0122994700000000, 0.0091073500000000 ] - [ 0.0010222700000000, 0.0027375800000000, -0.0001300900000000 ] - [ 0.0035864800000000, -0.0057525500000000, -0.0009995200000000 ] - [ -0.0002663700000000, 0.0023511400000000, 0.0002841900000000 ] - [ -0.0012302400000000, 0.0002070000000000, -0.0006557700000000 ] - [ 0.0003452900000000, 0.0008043300000000, 0.0005492800000000 ] - [ -0.0015798100000000, -0.0029070000000000, 0.0011951100000000 ] - [ 0.0000025600000000, 0.0016357300000000, 0.0005888000000000 ] - [ -0.0009175600000000, -0.0002356900000000, -0.0001354000000000 ] - [ -0.0009054900000000, 0.0016118800000000, -0.0002188800000000 ] - [ -0.0015023700000000, -0.0020020600000000, -0.0008605000000000 ] - [ -0.0004331600000000, 0.0009333100000000, -0.0002727400000000 ] - [ 0.0015185200000000, -0.0013033100000000, -0.0001077100000000 ] - [ -0.0005679200000000, 0.0022594000000000, 0.0000012700000000 ] - [ 0.0069988400000000, -0.0099883600000000, -0.0002375000000000 ] - [ 0.0005630500000000, 0.0023499500000000, -0.0002694500000000 ] - [ 0.0019743200000000, 0.0031834400000000, -0.0020942600000000 ] - [ 0.0044190100000000, 0.0068414800000000, 0.0053233200000000 ] - [ 0.0037799300000000, 0.0034821400000000, -0.0060168000000000 ] - [ 0.0016502900000000, 0.0019216100000000, 0.0010969100000000 ] - [ 0.0012276100000000, -0.0027821400000000, 0.0027538600000000 ] - [ 0.0008619700000000, 0.0014444500000000, -0.0000795000000000 ] - [ 0.0952373800000000, -0.1142338700000000, 0.0252696100000000 ] - [ 0.0002347900000000, 0.0024058200000000, 0.0004130100000000 ] - [ -0.0038623700000000, 0.0032063100000000, -0.0014426300000000 ] - [ 0.0005700800000000, -0.0004181900000000, 0.0006323400000000 ] - [ -0.0003930900000000, -0.0011550000000000, 0.0001348700000000 ] - [ -0.0004602800000000, 0.0008050100000000, 0.0004003500000000 ] - [ -0.0010950500000000, -0.0017800200000000, 0.0002985300000000 ] - [ -0.0002422900000000, 0.0010481600000000, -0.0000703900000000 ] - [ -0.0018813300000000, -0.0015876200000000, -0.0001916200000000 ] - [ -0.0002427900000000, 0.0016070600000000, -0.0000367700000000 ] - [ -0.0001573400000000, 0.0008951400000000, -0.0004244300000000 ] - [ -0.0009091200000000, 0.0002960300000000, -0.0001203000000000 ] - [ -0.0038888300000000, 0.0007887600000000, -0.0030941600000000 ] - [ -0.0000224500000000, 0.0003939200000000, -0.0001506200000000 ] - [ 0.0047696200000000, -0.0056424000000000, 0.0008159300000000 ] - [ -0.0006226600000000, 0.0016367500000000, -0.0001496800000000 ] - [ 0.0003942900000000, -0.0034391600000000, 0.0028943500000000 ] - [ 0.0000503600000000, 0.0022550100000000, -0.0004692100000000 ] - [ -0.1515073100000000, 0.1274562100000000, -0.0389762200000000 ] - [ 0.0000585900000000, -0.0004947300000000, -0.0003427700000000 ] - [ -0.0011023700000000, 0.0000959300000000, -0.0008283600000000 ] - [ -0.0009629900000000, -0.0008458900000000, -0.0004994300000000 ] - [ -0.0020708800000000, 0.0009856200000000, 0.0019879200000000 ] - [ -0.0003249100000000, -0.0011899500000000, -0.0011423800000000 ] - [ -0.0020089000000000, -0.0022043700000000, 0.0015549700000000 ] - [ -0.0017175200000000, -0.0016773400000000, 0.0000950300000000 ] - [ -0.0016013400000000, -0.0028795500000000, -0.0018676300000000 ] - [ -0.0010961100000000, -0.0018998800000000, 0.0003244400000000 ] - [ -0.0017478900000000, 0.0009117400000000, -0.0023801800000000 ] - [ 0.0000474100000000, -0.0007510000000000, 0.0007323800000000 ] - [ 0.0387261400000000, -0.0348823000000000, 0.0025249400000000 ] - [ -0.0002961700000000, -0.0012918100000000, -0.0002320400000000 ] - [ -0.0005615800000000, 0.0019353600000000, -0.0006206100000000 ] - [ -0.0001786000000000, -0.0017044800000000, 0.0005625500000000 ] - [ -0.0000563900000000, 0.0009051400000000, -0.0018923000000000 ] - [ -0.0002087800000000, -0.0005036200000000, 0.0015020000000000 ] - [ 0.0019495200000000, 0.0149684400000000, 0.0043927200000000 ] - [ 0.0000004000000000, -0.0006775200000000, 0.0006045100000000 ] - [ 0.0003485100000000, 0.0002046000000000, -0.0004912600000000 ] - [ -0.0000318200000000, -0.0003691800000000, -0.0002758500000000 ] - [ -0.0052692900000000, 0.0144788000000000, 0.0009127000000000 ] - [ -0.0002281500000000, -0.0005770800000000, -0.0001239600000000 ] - [ 0.0028506200000000, -0.0025151200000000, 0.0005664200000000 ] - [ -0.0008863600000000, 0.0001997800000000, -0.0005693000000000 ] - [ -0.0000444000000000, 0.0005116400000000, -0.0000062700000000 ] - [ -0.0002835300000000, -0.0004430000000000, -0.0003986600000000 ] - [ -0.0000310000000000, 0.0004961000000000, 0.0008183600000000 ] - [ 0.0000943400000000, -0.0002613500000000, 0.0010294600000000 ] - [ 0.0007514300000000, -0.0005100000000000, 0.0016653700000000 ] - [ -0.0001967500000000, -0.0000707300000000, 0.0008105800000000 ] - [ 0.0002370300000000, -0.0010349900000000, 0.0003162200000000 ] - [ 0.0001623000000000, 0.0001149200000000, 0.0001071600000000 ] - [ -0.0000118000000000, 0.0012087000000000, 0.0003064100000000 ] - [ 0.0007773200000000, -0.0016163000000000, 0.0000328500000000 ] - [ 0.0011616600000000, 0.0013045100000000, -0.0003277500000000 ] - [ -0.0000076100000000, -0.0000693300000000, 0.0001120600000000 ] - [ 0.0003885700000000, 0.0001831800000000, -0.0000651500000000 ] - [ 0.0004427800000000, -0.0011646300000000, -0.0003930700000000 ] - [ 0.0009944800000000, 0.0004029200000000, 0.0000370000000000 ] - [ 0.0002978300000000, -0.0006615100000000, -0.0006073800000000 ] - [ 0.0008574500000000, 0.0008513500000000, -0.0005984400000000 ] - [ 0.0007117300000000, -0.0004076100000000, -0.0000025900000000 ] - [ 0.0017416400000000, 0.0001599700000000, -0.0004173300000000 ] - [ 0.0002230600000000, 0.0001565500000000, -0.0004361000000000 ] - [ 0.0003912800000000, 0.0001192500000000, -0.0003142800000000 ] - [ 0.0006918100000000, -0.0005222000000000, -0.0004844400000000 ] - [ 0.0001764000000000, -0.0000700600000000, 0.0004015600000000 ] - [ 0.0003189100000000, -0.0000714200000000, 0.0002549300000000 ] - [ 0.0023717300000000, 0.0005696800000000, 0.0004530000000000 ] - [ -0.0002285600000000, -0.0003750600000000, 0.0003537800000000 ] - [ 0.0004392600000000, 0.0012679300000000, 0.0011655600000000 ] - [ -0.0005337100000000, -0.0002727500000000, 0.0001300800000000 ] - [ -0.0003409200000000, 0.0002227300000000, 0.0001254200000000 ] - [ -0.0001016100000000, -0.0008155900000000, 0.0007649500000000 ] - [ 0.0001835300000000, 0.0009133500000000, 0.0001604600000000 ] - [ 0.0002021200000000, -0.0002281800000000, -0.0002181100000000 ] - [ 0.0005526600000000, 0.0005650900000000, -0.0004215600000000 ] - [ -0.0002651700000000, -0.0010267100000000, 0.0003120700000000 ] - [ -0.0000512900000000, -0.0007698100000000, -0.0003058300000000 ] - [ 0.0006248600000000, -0.0013327700000000, 0.0000233700000000 ] - [ 0.0001695600000000, 0.0006235100000000, -0.0003260100000000 ] - [ -0.0001154200000000, -0.0002137300000000, -0.0000077700000000 ] - [ 0.0000761000000000, -0.0001753400000000, -0.0008724400000000 ] - [ 0.0003373800000000, -0.0002423300000000, -0.0010696100000000 ] - [ 0.0007543000000000, 0.0003721700000000, 0.0003811500000000 ] - [ 0.0000159300000000, -0.0001573000000000, -0.0011947800000000 ] - [ 0.0000869400000000, 0.0000361800000000, 0.0003105600000000 ] - [ 0.0006987000000000, 0.0000703700000000, 0.0004384600000000 ] - [ 0.0066961900000000, -0.0024121200000000, 0.0032112900000000 ] - [ 0.0002892900000000, -0.0003574700000000, 0.0003805300000000 ] - [ -0.0008486800000000, 0.0008029200000000, 0.0002788600000000 ] - [ -0.0000980000000000, -0.0005438300000000, 0.0003748000000000 ] - [ 0.0000257800000000, 0.0005773600000000, -0.0001582000000000 ] - [ 0.0000893600000000, -0.0004427600000000, 0.0001894400000000 ] - [ -0.0007365500000000, 0.0010519600000000, -0.0012350800000000 ] - [ 0.0001331500000000, -0.0004832300000000, -0.0013762000000000 ] - [ 0.0005655500000000, 0.0025863800000000, -0.0045178600000000 ] - [ -0.0000674700000000, -0.0006587300000000, -0.0006012100000000 ] - [ -0.0002844800000000, 0.0029002200000000, -0.0010486100000000 ] - [ 0.0002260600000000, -0.0012023900000000, 0.0002182100000000 ] - [ -0.0011756200000000, 0.0050542800000000, 0.0006870100000000 ] - [ 0.0001226400000000, -0.0017972600000000, -0.0005513500000000 ] - [ -0.0003093800000000, -0.0005885600000000, -0.0002405300000000 ] - [ 0.0003385700000000, -0.0021930700000000, 0.0017159900000000 ] - [ 0.0008152200000000, -0.0065392400000000, -0.0039775800000000 ] - [ -0.0007669700000000, -0.0008601300000000, -0.0001998900000000 ] - [ -0.0001823100000000, 0.0000695700000000, 0.0010636700000000 ] - [ 0.0006533600000000, -0.0017717600000000, -0.0017340000000000 ] - [ 0.0001687600000000, -0.0045300000000000, 0.0064336900000000 ] - [ -0.0002123700000000, -0.0011466900000000, 0.0007755200000000 ] - [ -0.0043681700000000, 0.0011157000000000, -0.0012061400000000 ] - [ 0.0008034000000000, -0.0008710100000000, 0.0005207800000000 ] - [ -0.0002089900000000, 0.0012629000000000, -0.0004196100000000 ] - [ -0.0002421900000000, -0.0005117000000000, 0.0003237800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018070800000000, 0.0000639600000000, 0.0015891300000000 ] - [ 0.0000664700000000, 0.0004412000000000, 0.0010532600000000 ] - [ 0.0038237600000000, -0.0067469500000000, -0.0125442300000000 ] - [ -0.0001539000000000, 0.0004737100000000, 0.0003156400000000 ] - [ -0.0005153600000000, 0.0009793900000000, -0.0000515600000000 ] - [ 0.0000865100000000, -0.0000910100000000, 0.0004257400000000 ] - [ 0.0018894800000000, 0.0001405400000000, 0.0004259600000000 ] - [ 0.0001396500000000, -0.0000298600000000, 0.0003749600000000 ] - [ -0.0012047300000000, 0.0000395900000000, 0.0001164100000000 ] - [ -0.0004557900000000, 0.0007000200000000, -0.0000586900000000 ] - [ -0.0005095000000000, -0.0007004500000000, -0.0011539900000000 ] - [ -0.0003032500000000, -0.0001303700000000, -0.0003770100000000 ] - [ 0.0008390400000000, -0.0000297100000000, -0.0014729200000000 ] - [ 0.0001861400000000, 0.0001870300000000, -0.0011129300000000 ] - [ 0.0020880700000000, -0.0003856200000000, 0.0052000300000000 ] - [ 0.0002917900000000, 0.0004373100000000, -0.0002711600000000 ] - [ 0.0002072400000000, 0.0006094200000000, 0.0000808900000000 ] - [ 0.0027122000000000, -0.0021140800000000, 0.0025880900000000 ] - [ 0.0038042800000000, 0.0033565300000000, -0.0058938000000000 ] - [ 0.0002951800000000, -0.0001790000000000, 0.0000081700000000 ] - [ 0.0008626000000000, 0.0014037600000000, -0.0019466100000000 ] - [ 0.0003827800000000, -0.0001738100000000, 0.0000477400000000 ] - [ 0.0659171000000000, -0.0252880100000000, 0.0927531800000000 ] - [ 0.0001922500000000, 0.0005211000000000, 0.0003417900000000 ] - [ -0.0006354800000000, 0.0007193100000000, 0.0004844100000000 ] - [ -0.0002755300000000, 0.0002188900000000, 0.0008402400000000 ] - [ -0.0019961700000000, -0.0014453700000000, -0.0022911800000000 ] - [ -0.0001840400000000, -0.0000120300000000, 0.0002791400000000 ] - [ -0.0003578800000000, -0.0006086300000000, -0.0006107100000000 ] - [ -0.0001484100000000, -0.0001107900000000, -0.0001277800000000 ] - [ -0.0013071300000000, -0.0001837000000000, 0.0009427500000000 ] - [ -0.0001276400000000, 0.0003544300000000, 0.0000672400000000 ] - [ -0.0001258400000000, 0.0004756700000000, -0.0001483200000000 ] - [ -0.0001492400000000, 0.0001490000000000, -0.0002034500000000 ] - [ -0.0014989600000000, 0.0006875500000000, -0.0017784000000000 ] - [ 0.0000345200000000, -0.0004775200000000, -0.0003366900000000 ] - [ -0.0009870700000000, -0.0065859800000000, -0.0013380900000000 ] - [ -0.0001807300000000, 0.0000062700000000, -0.0002598500000000 ] - [ 0.0045703800000000, 0.0016274700000000, -0.0001131800000000 ] - [ -0.0000926000000000, 0.0005082700000000, -0.0002936200000000 ] - [ -0.0954996500000000, 0.0383715000000000, -0.0914192100000000 ] - [ -0.0001981900000000, 0.0000537700000000, -0.0003824400000000 ] - [ -0.0007844100000000, -0.0005381500000000, -0.0000438500000000 ] - [ -0.0003427800000000, -0.0002049200000000, -0.0003044800000000 ] - [ -0.0022668500000000, 0.0012062400000000, 0.0030982800000000 ] - [ -0.0004960200000000, -0.0002484200000000, -0.0003822200000000 ] - [ -0.0006188900000000, 0.0000115700000000, -0.0003202800000000 ] - [ -0.0005062100000000, 0.0006883100000000, -0.0012774800000000 ] - [ -0.0004401200000000, -0.0006893800000000, -0.0002985700000000 ] - [ -0.0009952500000000, -0.0015219000000000, 0.0001742300000000 ] - [ -0.0018903200000000, 0.0032943800000000, -0.0010785400000000 ] - [ -0.0001736200000000, 0.0003579400000000, -0.0000759000000000 ] - [ 0.0008061300000000, -0.0010876000000000, -0.0146098500000000 ] - [ -0.0001637700000000, 0.0001688900000000, 0.0000868200000000 ] - [ -0.0004473000000000, -0.0018079200000000, 0.0021133300000000 ] - [ -0.0001676700000000, -0.0004838900000000, 0.0002348500000000 ] - [ -0.0001745000000000, -0.0000818300000000, 0.0019625700000000 ] - [ -0.0000635700000000, -0.0000178400000000, 0.0010638800000000 ] - [ 0.0384358200000000, -0.0062551000000000, 0.0245403800000000 ] - [ -0.0000108600000000, -0.0001659500000000, 0.0008752300000000 ] - [ 0.0001030200000000, -0.0004698500000000, 0.0002570600000000 ] - [ 0.0000206400000000, 0.0000093900000000, -0.0001995100000000 ] - [ -0.0216413000000000, 0.0002302800000000, -0.0106837700000000 ] - [ 0.0000991200000000, -0.0000106800000000, -0.0002783400000000 ] - [ 0.0000130800000000, -0.0002015700000000, -0.0002861300000000 ] - [ -0.0003047700000000, 0.0000867600000000, -0.0004684300000000 ] - [ 0.0018061500000000, 0.0012801100000000, 0.0015110800000000 ] - [ -0.0002000800000000, -0.0001383400000000, -0.0003159600000000 ] - [ 0.0001742000000000, -0.0000945100000000, 0.0024243900000000 ] - [ 0.0000077600000000, 0.0000246400000000, 0.0009862400000000 ] - [ 0.0001195900000000, -0.0002884800000000, 0.0007670400000000 ] - [ 0.0000915000000000, -0.0000616200000000, 0.0006450300000000 ] - [ 0.0001519300000000, -0.0006305100000000, 0.0002572600000000 ] - [ 0.0004577500000000, 0.0003131800000000, 0.0004091200000000 ] - [ 0.0002172900000000, 0.0002195800000000, -0.0001903000000000 ] - [ 0.0002239500000000, 0.0000916000000000, 0.0000873300000000 ] - [ 0.0009545900000000, 0.0005502800000000, -0.0003967800000000 ] - [ 0.0002122800000000, 0.0005008800000000, -0.0001440700000000 ] - [ 0.0000907000000000, -0.0001589200000000, 0.0001669600000000 ] - [ 0.0002247700000000, -0.0005559900000000, -0.0001247800000000 ] - [ 0.0007301300000000, 0.0000423700000000, 0.0000557700000000 ] - [ 0.0004968800000000, -0.0001644400000000, -0.0002922700000000 ] - [ 0.0004687800000000, 0.0005602800000000, -0.0011661600000000 ] - [ 0.0004917000000000, 0.0001338300000000, -0.0003322700000000 ] - [ 0.0005329400000000, 0.0001430700000000, -0.0004797900000000 ] - [ 0.0003573800000000, 0.0001247000000000, -0.0004801800000000 ] - [ 0.0008066200000000, -0.0000234600000000, 0.0000052900000000 ] - [ 0.0002864900000000, -0.0001912000000000, -0.0003821900000000 ] - [ 0.0000989400000000, -0.0000381900000000, 0.0003232900000000 ] - [ -0.0000097000000000, 0.0001105300000000, 0.0003240900000000 ] - [ 0.0003445200000000, -0.0001629500000000, 0.0005435200000000 ] - [ -0.0000943600000000, -0.0000615000000000, 0.0003574900000000 ] - [ -0.0002087600000000, 0.0003878300000000, 0.0003596200000000 ] - [ -0.0004303900000000, 0.0001516900000000, 0.0003291700000000 ] - [ -0.0002441000000000, -0.0001897000000000, 0.0005132100000000 ] - [ -0.0003434500000000, -0.0003166200000000, 0.0004673100000000 ] - [ 0.0002474500000000, 0.0002782100000000, -0.0003050500000000 ] - [ -0.0000742300000000, 0.0003537000000000, 0.0000143100000000 ] - [ -0.0000411500000000, -0.0004196500000000, 0.0002924600000000 ] - [ -0.0001487900000000, -0.0005270500000000, 0.0001457700000000 ] - [ -0.0000680800000000, -0.0002375800000000, -0.0001519600000000 ] - [ 0.0001792400000000, -0.0011226100000000, -0.0001116400000000 ] - [ -0.0000528500000000, 0.0005350200000000, -0.0002050500000000 ] - [ -0.0000910600000000, 0.0002657000000000, -0.0001742600000000 ] - [ 0.0000647000000000, -0.0000837700000000, -0.0010904100000000 ] - [ 0.0000496500000000, -0.0000819300000000, -0.0010773800000000 ] - [ 0.0003656500000000, 0.0001820000000000, -0.0000296900000000 ] - [ 0.0000235100000000, 0.0001249500000000, -0.0009020600000000 ] - [ 0.0001696500000000, 0.0000128100000000, 0.0003273900000000 ] - [ 0.0002834300000000, 0.0001074900000000, 0.0003918700000000 ] - [ 0.0032543100000000, -0.0013680700000000, 0.0016686100000000 ] - [ 0.0001684200000000, -0.0000430300000000, 0.0003027900000000 ] - [ 0.0008981000000000, 0.0012771100000000, -0.0002961700000000 ] - [ -0.0001539700000000, -0.0001515900000000, 0.0002872200000000 ] - [ -0.0014254100000000, 0.0003090200000000, 0.0007265700000000 ] - [ -0.0001240700000000, 0.0000064800000000, 0.0002878700000000 ] - [ -0.0000229700000000, 0.0012414400000000, 0.0004909500000000 ] - [ 0.0000065800000000, -0.0000037200000000, -0.0009426500000000 ] - [ -0.0020814300000000, 0.0004587900000000, -0.0025086200000000 ] - [ -0.0000096900000000, -0.0001581200000000, -0.0009121700000000 ] - [ -0.0004848600000000, -0.0003376000000000, -0.0000625800000000 ] - [ 0.0001340900000000, 0.0001772200000000, -0.0000952100000000 ] - [ 0.0035472500000000, 0.0041262400000000, 0.0014704400000000 ] - [ 0.0001286400000000, -0.0005648800000000, -0.0002199900000000 ] - [ 0.0000582900000000, -0.0004575300000000, 0.0001611000000000 ] - [ 0.0001902800000000, -0.0018362200000000, 0.0017647800000000 ] - [ -0.0014622700000000, 0.0005063000000000, -0.0019427600000000 ] - [ 0.0000357400000000, 0.0003233200000000, 0.0000008900000000 ] - [ 0.0003647700000000, 0.0000830400000000, 0.0003746800000000 ] - [ -0.0002831100000000, 0.0007414300000000, 0.0004590500000000 ] - [ 0.0004278200000000, -0.0050797600000000, 0.0051165400000000 ] - [ 0.0003564000000000, -0.0002698200000000, 0.0004156800000000 ] - [ -0.0006754900000000, 0.0014856700000000, 0.0002359700000000 ] - [ 0.0002309000000000, -0.0002289700000000, 0.0003291900000000 ] - [ -0.0031957900000000, -0.0007162400000000, 0.0013256900000000 ] - [ 0.0001153200000000, 0.0000324800000000, 0.0003611200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0022787900000000, -0.0006191300000000, -0.0009613700000000 ] - [ -0.0005056700000000, -0.0009545100000000, -0.0003734700000000 ] - [ -0.0042482700000000, 0.0072352500000000, 0.0131976100000000 ] - [ -0.0002793800000000, 0.0000252900000000, 0.0003684500000000 ] - [ 0.0009487600000000, -0.0004729600000000, 0.0007391600000000 ] - [ 0.0003467000000000, 0.0005947000000000, 0.0002587800000000 ] - [ -0.0013888800000000, -0.0006079500000000, 0.0002381300000000 ] - [ 0.0002949000000000, -0.0004802700000000, 0.0003056500000000 ] - [ 0.0007826900000000, 0.0004664400000000, -0.0008005800000000 ] - [ 0.0000267700000000, -0.0001983600000000, -0.0006240100000000 ] - [ 0.0000828300000000, 0.0002016100000000, 0.0004734000000000 ] - [ -0.0001291500000000, -0.0003768300000000, -0.0003055600000000 ] - [ -0.0004075900000000, -0.0004643400000000, 0.0007948900000000 ] - [ 0.0002505600000000, -0.0007005200000000, 0.0004326600000000 ] - [ -0.0014985500000000, 0.0008336000000000, -0.0057873100000000 ] - [ 0.0001408100000000, 0.0000626200000000, -0.0004120100000000 ] - [ -0.0002165600000000, -0.0001387500000000, -0.0000706900000000 ] - [ -0.0027048200000000, 0.0025864300000000, -0.0025806100000000 ] - [ -0.0038172900000000, -0.0038651000000000, 0.0059091000000000 ] - [ -0.0003022500000000, -0.0003034200000000, -0.0000128100000000 ] - [ -0.0006177000000000, -0.0020450100000000, 0.0025561900000000 ] - [ -0.0001309800000000, -0.0004995700000000, 0.0005709000000000 ] - [ -0.0658098100000000, 0.0260203100000000, -0.0929635900000000 ] - [ 0.0000618400000000, 0.0001428300000000, 0.0002738300000000 ] - [ 0.0003982600000000, -0.0000647500000000, 0.0001420900000000 ] - [ 0.0000184600000000, 0.0004642100000000, -0.0002220400000000 ] - [ 0.0017311900000000, 0.0007755700000000, 0.0028891200000000 ] - [ -0.0000699100000000, -0.0006595900000000, 0.0003373000000000 ] - [ 0.0003709500000000, 0.0001251000000000, 0.0006019100000000 ] - [ 0.0001506400000000, -0.0003703900000000, 0.0001279800000000 ] - [ 0.0013168200000000, 0.0006595300000000, -0.0009293700000000 ] - [ 0.0001290700000000, 0.0001215900000000, -0.0000663700000000 ] - [ 0.0003845400000000, 0.0001915800000000, -0.0004664900000000 ] - [ 0.0004065800000000, 0.0005199700000000, -0.0004116800000000 ] - [ 0.0017710300000000, -0.0013553400000000, 0.0011633900000000 ] - [ 0.0002201300000000, -0.0001910600000000, -0.0002808600000000 ] - [ 0.0007319400000000, 0.0059675300000000, 0.0007246800000000 ] - [ -0.0000712200000000, -0.0006797400000000, -0.0003566300000000 ] - [ -0.0048003200000000, -0.0009491500000000, -0.0004850400000000 ] - [ -0.0001621600000000, 0.0001557800000000, -0.0003215000000000 ] - [ 0.0944585800000000, -0.0382339600000000, 0.0908593600000000 ] - [ -0.0001933500000000, 0.0001531900000000, -0.0003700800000000 ] - [ 0.0003946400000000, 0.0003274200000000, -0.0007065500000000 ] - [ -0.0000477400000000, 0.0000044700000000, -0.0004465300000000 ] - [ 0.0013923200000000, -0.0016113700000000, -0.0038360200000000 ] - [ -0.0003775000000000, -0.0001603700000000, -0.0003501700000000 ] - [ -0.0002473600000000, 0.0004070700000000, -0.0004218500000000 ] - [ -0.0003688300000000, -0.0002711300000000, 0.0005395800000000 ] - [ 0.0001301900000000, -0.0002440300000000, 0.0001087700000000 ] - [ 0.0006807400000000, 0.0005928900000000, -0.0003683300000000 ] - [ 0.0015706200000000, -0.0023427800000000, 0.0008804900000000 ] - [ -0.0001415000000000, 0.0005842200000000, -0.0001231900000000 ] - [ -0.0011910500000000, 0.0018491000000000, 0.0148871900000000 ] - [ -0.0001028200000000, 0.0005243200000000, 0.0002488100000000 ] - [ 0.0001822700000000, 0.0011062800000000, -0.0017736100000000 ] - [ -0.0000991700000000, -0.0001962900000000, 0.0000989900000000 ] - [ 0.0001868000000000, 0.0002775200000000, -0.0000653700000000 ] - [ 0.0000713400000000, 0.0002297200000000, 0.0008177700000000 ] - [ -0.0375533000000000, 0.0059585300000000, -0.0220579000000000 ] - [ 0.0000201800000000, -0.0000381500000000, 0.0010070600000000 ] - [ 0.0002198700000000, 0.0003464000000000, -0.0008699700000000 ] - [ 0.0002975500000000, -0.0001207600000000, -0.0004135400000000 ] - [ 0.0218800100000000, -0.0000599100000000, 0.0101189900000000 ] - [ 0.0002190200000000, 0.0001284700000000, -0.0003318500000000 ] - [ -0.0003460900000000, 0.0003253500000000, -0.0003274600000000 ] - [ -0.0000161100000000, 0.0000271900000000, -0.0001436300000000 ] - [ -0.0021184700000000, -0.0013884000000000, -0.0021151700000000 ] - [ -0.0001237900000000, 0.0000246300000000, -0.0002979000000000 ] - [ -0.0001821800000000, 0.0002968100000000, -0.0005268900000000 ] - [ -0.0000213900000000, 0.0001849100000000, 0.0008970800000000 ] - [ -0.0001336500000000, 0.0000804200000000, 0.0011107900000000 ] - [ -0.0001026700000000, -0.0001456800000000, 0.0012336400000000 ] - [ 0.0001115800000000, -0.0000575200000000, 0.0000766400000000 ] - [ -0.0001916400000000, -0.0009937200000000, -0.0000722000000000 ] - [ 0.0000473000000000, 0.0004508900000000, 0.0005179500000000 ] - [ 0.0000363300000000, 0.0006046400000000, 0.0002469300000000 ] - [ -0.0006441800000000, 0.0003821900000000, 0.0001997300000000 ] - [ 0.0001014300000000, 0.0004420400000000, -0.0000534500000000 ] - [ 0.0002150100000000, -0.0007730800000000, -0.0003540200000000 ] - [ 0.0000890800000000, -0.0003801200000000, -0.0000726700000000 ] - [ 0.0001442500000000, -0.0004545200000000, -0.0007878100000000 ] - [ 0.0003777800000000, -0.0002415000000000, -0.0004401800000000 ] - [ 0.0003941900000000, -0.0001424400000000, 0.0004167300000000 ] - [ 0.0003815000000000, 0.0002787900000000, -0.0004011100000000 ] - [ -0.0001488100000000, 0.0000587600000000, -0.0002711500000000 ] - [ 0.0000358000000000, 0.0000772200000000, -0.0002713900000000 ] - [ -0.0004085600000000, -0.0001808200000000, -0.0007539400000000 ] - [ 0.0001034000000000, -0.0000103100000000, -0.0003688700000000 ] - [ -0.0004922900000000, 0.0002409700000000, 0.0004286000000000 ] - [ -0.0003851300000000, 0.0000957000000000, 0.0004288000000000 ] - [ -0.0007653100000000, -0.0000497400000000, 0.0002124400000000 ] - [ -0.0003037500000000, -0.0001413500000000, 0.0003954100000000 ] - [ -0.0006686800000000, 0.0000172500000000, 0.0003674100000000 ] - [ -0.0004458100000000, 0.0002606600000000, 0.0004050300000000 ] - [ -0.0006350100000000, -0.0002188900000000, 0.0002198100000000 ] - [ -0.0005291300000000, -0.0000928300000000, 0.0002684600000000 ] - [ -0.0005690700000000, 0.0006649900000000, 0.0005056400000000 ] - [ -0.0002389700000000, 0.0005865300000000, 0.0001822900000000 ] - [ -0.0002776200000000, -0.0005238900000000, -0.0000895500000000 ] - [ -0.0001640600000000, -0.0004075400000000, 0.0000507500000000 ] - [ -0.0001969400000000, -0.0004487100000000, -0.0001815000000000 ] - [ -0.0004453700000000, 0.0004405600000000, -0.0002217200000000 ] - [ -0.0002099900000000, 0.0001518000000000, -0.0001293500000000 ] - [ -0.0001741900000000, 0.0004203000000000, -0.0001590900000000 ] - [ -0.0000547700000000, -0.0001237900000000, -0.0007896800000000 ] - [ -0.0000373000000000, -0.0001257500000000, -0.0008033600000000 ] - [ -0.0003557900000000, 0.0000243500000000, -0.0018583300000000 ] - [ -0.0000124700000000, 0.0000841900000000, -0.0009815600000000 ] - [ 0.0001492100000000, 0.0000991400000000, 0.0002833100000000 ] - [ 0.0000385300000000, 0.0000070700000000, 0.0002204800000000 ] - [ -0.0029567400000000, 0.0012606000000000, -0.0010699800000000 ] - [ 0.0001512100000000, -0.0000679200000000, 0.0003080900000000 ] - [ -0.0012232000000000, -0.0014028300000000, 0.0009135500000000 ] - [ -0.0001620000000000, 0.0000380500000000, 0.0003233700000000 ] - [ 0.0010997300000000, -0.0001943400000000, -0.0001147800000000 ] - [ -0.0001943000000000, 0.0001105400000000, 0.0003266900000000 ] - [ 0.0000159200000000, -0.0010442500000000, -0.0023768000000000 ] - [ -0.0000129900000000, 0.0002134400000000, -0.0009321100000000 ] - [ 0.0020716000000000, -0.0006665900000000, 0.0006193800000000 ] - [ 0.0000035000000000, -0.0000478400000000, -0.0009676000000000 ] - [ 0.0007481900000000, 0.0010147800000000, -0.0002713700000000 ] - [ 0.0001342300000000, 0.0005137000000000, -0.0002391600000000 ] - [ -0.0033169800000000, -0.0048501300000000, -0.0018195300000000 ] - [ 0.0001398300000000, -0.0001160200000000, -0.0001134500000000 ] - [ 0.0002645400000000, -0.0004869400000000, 0.0000393700000000 ] - [ 0.0001222600000000, 0.0009108900000000, -0.0015767200000000 ] - [ 0.0017784200000000, 0.0004329200000000, 0.0021382800000000 ] - [ 0.0002856100000000, 0.0006206700000000, 0.0001969800000000 ] - [ 0.0005155200000000, 0.0003237500000000, 0.0003544100000000 ] - [ 0.0011574000000000, -0.0003284500000000, 0.0002742700000000 ] - [ 0.0004288200000000, 0.0047084000000000, -0.0044096200000000 ] - [ 0.0005207800000000, -0.0001403600000000, 0.0003194900000000 ] - [ 0.0010833500000000, -0.0017082600000000, 0.0005208600000000 ] - [ 0.0001615700000000, 0.0000270100000000, 0.0004236000000000 ] - [ 0.0035686100000000, 0.0009143000000000, -0.0005609400000000 ] - [ 0.0002812300000000, 0.0001741100000000, 0.0003925200000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007896900000000, 0.0011794000000000, -0.0000612400000000 ] - [ 0.0020050600000000, -0.0004842000000000, 0.0010924900000000 ] - [ 0.0097788200000000, -0.0046341500000000, -0.0038949400000000 ] - [ 0.0002763300000000, 0.0011946800000000, 0.0003576200000000 ] - [ -0.0009113100000000, 0.0013963300000000, 0.0005386300000000 ] - [ -0.0009543500000000, -0.0022472900000000, 0.0012711500000000 ] - [ -0.0027693000000000, -0.0001405100000000, -0.0014321600000000 ] - [ 0.0001743300000000, 0.0003316900000000, 0.0003696700000000 ] - [ -0.0008816700000000, 0.0006700900000000, -0.0002413900000000 ] - [ -0.0021790700000000, 0.0005495700000000, 0.0000507600000000 ] - [ -0.0036670600000000, -0.0012812100000000, -0.0006736300000000 ] - [ -0.0008110400000000, 0.0004413300000000, -0.0003413400000000 ] - [ 0.0014294500000000, 0.0001747200000000, -0.0003666700000000 ] - [ -0.0014774400000000, 0.0094029000000000, -0.0090123000000000 ] - [ -0.0015506800000000, -0.0079667100000000, 0.0097238400000000 ] - [ 0.0004945700000000, 0.0016596100000000, -0.0002658500000000 ] - [ 0.0003643500000000, 0.0012886800000000, 0.0000301200000000 ] - [ 0.0083882000000000, -0.0039650500000000, 0.0030155700000000 ] - [ 0.1498199400000000, -0.0871968500000000, -0.0935323000000000 ] - [ 0.0004156200000000, 0.0008784000000000, -0.0000014700000000 ] - [ 0.0008989100000000, 0.0063847300000000, -0.0006959300000000 ] - [ 0.0037706500000000, -0.0000812200000000, 0.0001745900000000 ] - [ 0.0054800200000000, 0.0007773300000000, 0.0053711700000000 ] - [ 0.0006160800000000, 0.0007039500000000, 0.0003369700000000 ] - [ -0.0005423300000000, 0.0011398000000000, 0.0004663300000000 ] - [ -0.0008437800000000, -0.0014435500000000, 0.0009983100000000 ] - [ -0.0107592500000000, -0.0049548500000000, -0.0032467000000000 ] - [ -0.0001794600000000, 0.0006516300000000, 0.0003122400000000 ] - [ -0.0015277600000000, 0.0002444300000000, 0.0000954900000000 ] - [ -0.0008959100000000, -0.0002274800000000, -0.0004719900000000 ] - [ -0.0013461300000000, 0.0004942200000000, 0.0000968800000000 ] - [ -0.0007268100000000, 0.0003975600000000, 0.0002515000000000 ] - [ -0.0002377500000000, 0.0010172500000000, -0.0002196500000000 ] - [ -0.0032625700000000, -0.0010580200000000, -0.0014226400000000 ] - [ -0.0044882300000000, -0.0009532700000000, -0.0007313400000000 ] - [ -0.0002312400000000, 0.0002756800000000, -0.0003377500000000 ] - [ 0.0005605000000000, -0.0031080600000000, -0.0007024200000000 ] - [ 0.0001527900000000, 0.0020210000000000, 0.0030643200000000 ] - [ 0.0032741400000000, -0.0002261800000000, 0.0013350300000000 ] - [ -0.0000172600000000, 0.0026678500000000, -0.0003905100000000 ] - [ -0.0043885200000000, 0.0017453900000000, -0.0021874200000000 ] - [ -0.0004099600000000, -0.0000112400000000, -0.0004150200000000 ] - [ -0.0019628300000000, -0.0016737000000000, -0.0005405200000000 ] - [ -0.0030626600000000, -0.0013840600000000, -0.0004212800000000 ] - [ -0.1777447200000000, 0.1264806200000000, 0.1441390700000000 ] - [ -0.0004420500000000, -0.0005661000000000, -0.0005352900000000 ] - [ -0.0008032400000000, -0.0003473300000000, 0.0000044700000000 ] - [ -0.0016598800000000, 0.0010009800000000, -0.0010174500000000 ] - [ -0.0005915400000000, -0.0011302300000000, -0.0003819200000000 ] - [ -0.0129733700000000, 0.0091069100000000, 0.0092077500000000 ] - [ -0.0051691500000000, 0.0054364600000000, -0.0051389900000000 ] - [ -0.0001571500000000, 0.0000599600000000, 0.0000272000000000 ] - [ -0.0010597800000000, -0.0008525600000000, -0.0009938900000000 ] - [ -0.0003620700000000, 0.0001649300000000, 0.0000834200000000 ] - [ -0.0000416500000000, -0.0067206000000000, 0.0015234600000000 ] - [ -0.0006906500000000, -0.0008744200000000, 0.0002788700000000 ] - [ -0.0001317600000000, -0.0013354700000000, 0.0022091900000000 ] - [ -0.0007156200000000, 0.0001206100000000, 0.0007658100000000 ] - [ 0.0000704600000000, -0.0031540500000000, -0.0073780900000000 ] - [ -0.0001092400000000, -0.0002353800000000, 0.0008205800000000 ] - [ 0.0012456700000000, -0.0017403600000000, -0.0007462200000000 ] - [ -0.0011904300000000, 0.0007137700000000, 0.0002192500000000 ] - [ -0.0001077300000000, 0.0000492700000000, -0.0010334300000000 ] - [ -0.0001337100000000, -0.0001454100000000, -0.0001741100000000 ] - [ 0.0001248000000000, -0.0002756500000000, -0.0001622200000000 ] - [ -0.0006954100000000, 0.0005933600000000, -0.0005470000000000 ] - [ 0.0096635900000000, 0.0010333800000000, -0.0004211900000000 ] - [ -0.0003774900000000, -0.0003480500000000, -0.0003943800000000 ] - [ 0.0024920700000000, 0.0002268700000000, 0.0026636500000000 ] - [ 0.0000188900000000, -0.0001231900000000, 0.0010224300000000 ] - [ 0.0000963100000000, -0.0003907200000000, 0.0006413700000000 ] - [ 0.0002336900000000, 0.0003276100000000, 0.0005318700000000 ] - [ 0.0001602600000000, -0.0011504300000000, 0.0003456700000000 ] - [ 0.0017846100000000, 0.0027869300000000, -0.0003086100000000 ] - [ 0.0003826900000000, 0.0015109800000000, 0.0003591300000000 ] - [ 0.0002222600000000, -0.0002106300000000, 0.0000074500000000 ] - [ 0.0006343300000000, 0.0004460400000000, -0.0002636800000000 ] - [ 0.0005439600000000, 0.0008456500000000, -0.0004179700000000 ] - [ 0.0009589600000000, -0.0010192900000000, -0.0003090600000000 ] - [ 0.0003941400000000, -0.0006466400000000, -0.0001510100000000 ] - [ 0.0008629700000000, -0.0002446300000000, -0.0002487800000000 ] - [ 0.0008610800000000, 0.0002349900000000, 0.0000665600000000 ] - [ 0.0010917100000000, -0.0001440200000000, -0.0000237100000000 ] - [ 0.0006332100000000, 0.0000423100000000, -0.0002839700000000 ] - [ 0.0003447500000000, -0.0000376100000000, -0.0004135700000000 ] - [ 0.0012300100000000, 0.0006598900000000, -0.0006486800000000 ] - [ 0.0046315100000000, -0.0005291900000000, -0.0003921300000000 ] - [ 0.0004316000000000, -0.0003750700000000, -0.0004087500000000 ] - [ 0.0003387700000000, -0.0002377400000000, 0.0002611100000000 ] - [ 0.0016200300000000, 0.0000048700000000, 0.0001590500000000 ] - [ 0.0026066600000000, 0.0007774700000000, 0.0001236600000000 ] - [ -0.0000410300000000, -0.0001983700000000, 0.0003480900000000 ] - [ 0.0001074000000000, 0.0003706300000000, 0.0005543000000000 ] - [ -0.0002834400000000, 0.0001177100000000, 0.0003174200000000 ] - [ 0.0000263800000000, -0.0005254400000000, 0.0006384200000000 ] - [ 0.0000275700000000, -0.0004311600000000, 0.0006696000000000 ] - [ 0.0003004900000000, 0.0001601200000000, -0.0001389500000000 ] - [ 0.0002276300000000, 0.0001844600000000, -0.0001307900000000 ] - [ 0.0004592100000000, -0.0002412800000000, -0.0000624300000000 ] - [ 0.0000851500000000, -0.0005227200000000, 0.0001578600000000 ] - [ -0.0000215800000000, -0.0008161700000000, -0.0002705900000000 ] - [ 0.0008220100000000, -0.0002331800000000, -0.0002744600000000 ] - [ 0.0007368100000000, 0.0014660700000000, -0.0002858800000000 ] - [ -0.0000687600000000, -0.0001491900000000, -0.0000620900000000 ] - [ 0.0000914500000000, -0.0002513800000000, -0.0009046100000000 ] - [ 0.0005886700000000, 0.0000358700000000, -0.0006584600000000 ] - [ 0.0013972200000000, 0.0006244300000000, -0.0003806100000000 ] - [ 0.0000781600000000, -0.0000677300000000, -0.0009919200000000 ] - [ 0.0000737700000000, -0.0001177600000000, 0.0002364900000000 ] - [ 0.0026716400000000, 0.0007776000000000, 0.0017521100000000 ] - [ 0.0026182100000000, -0.0001230400000000, 0.0005659300000000 ] - [ 0.0004414700000000, -0.0003375100000000, 0.0004160800000000 ] - [ 0.0001820200000000, 0.0005518600000000, 0.0001499200000000 ] - [ 0.0005422600000000, -0.0002052200000000, -0.0004286500000000 ] - [ -0.0007097200000000, 0.0005649700000000, 0.0004848800000000 ] - [ 0.0003675600000000, -0.0005987500000000, 0.0000647200000000 ] - [ -0.0001461100000000, 0.0006521900000000, -0.0003815500000000 ] - [ 0.0003611700000000, -0.0020850200000000, -0.0029715900000000 ] - [ -0.0003674700000000, 0.0009121800000000, -0.0036695900000000 ] - [ 0.0000031200000000, -0.0007348100000000, -0.0004517300000000 ] - [ -0.0004861700000000, 0.0007466100000000, -0.0005925000000000 ] - [ 0.0002961900000000, -0.0022806600000000, 0.0007979500000000 ] - [ 0.0001553600000000, 0.0022173700000000, 0.0003899600000000 ] - [ -0.0000301400000000, -0.0018468100000000, -0.0009970200000000 ] - [ 0.0001519400000000, -0.0008812600000000, 0.0002668000000000 ] - [ 0.0178879900000000, -0.0380201300000000, -0.0074574400000000 ] - [ -0.0022956900000000, -0.0002716500000000, -0.0028162300000000 ] - [ -0.0001348900000000, -0.0000864800000000, -0.0001530600000000 ] - [ 0.0004331400000000, -0.0001674200000000, 0.0001558500000000 ] - [ -0.0020038900000000, 0.0019546600000000, 0.0026914300000000 ] - [ 0.0145015100000000, -0.0033728800000000, -0.0378161700000000 ] - [ 0.0001630900000000, -0.0006995100000000, 0.0006705100000000 ] - [ -0.0008714800000000, 0.0005163100000000, 0.0002784600000000 ] - [ -0.0007304500000000, -0.0003263300000000, -0.0003626300000000 ] - [ -0.0042957200000000, -0.0001525500000000, 0.0003663400000000 ] - [ -0.0004394500000000, -0.0005483500000000, 0.0002726500000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012189900000000, -0.0016779400000000, 0.0007422400000000 ] - [ -0.0024124600000000, 0.0000573900000000, -0.0003633100000000 ] - [ -0.0102370100000000, 0.0049838200000000, 0.0043773100000000 ] - [ -0.0007102800000000, -0.0006850300000000, 0.0003250500000000 ] - [ 0.0013390400000000, -0.0008859200000000, 0.0001422200000000 ] - [ 0.0013899200000000, 0.0027421200000000, -0.0005848300000000 ] - [ 0.0031952300000000, -0.0003676100000000, 0.0021044700000000 ] - [ 0.0002618700000000, -0.0008313400000000, 0.0003108300000000 ] - [ 0.0004467200000000, -0.0001644000000000, -0.0004398200000000 ] - [ 0.0017455200000000, -0.0000449500000000, -0.0007306600000000 ] - [ 0.0032211300000000, 0.0007797700000000, -0.0000042300000000 ] - [ 0.0003795900000000, -0.0009439900000000, -0.0003388500000000 ] - [ -0.0009949100000000, -0.0006819500000000, -0.0003103000000000 ] - [ 0.0019090500000000, -0.0099320300000000, 0.0083568100000000 ] - [ 0.0019928200000000, 0.0084739300000000, -0.0104176300000000 ] - [ -0.0000634300000000, -0.0011515800000000, -0.0004148500000000 ] - [ -0.0003627500000000, -0.0008080300000000, -0.0000310300000000 ] - [ -0.0084051000000000, 0.0044287700000000, -0.0030028000000000 ] - [ -0.1515355400000000, 0.0905845700000000, 0.0977723000000000 ] - [ -0.0004137500000000, -0.0013534800000000, 0.0000034800000000 ] - [ -0.0006381700000000, -0.0070301400000000, 0.0013078900000000 ] - [ -0.0035218100000000, -0.0005854700000000, 0.0004181600000000 ] - [ -0.0052137100000000, -0.0001069100000000, -0.0047461300000000 ] - [ -0.0003607700000000, -0.0000148200000000, 0.0002785200000000 ] - [ 0.0002862700000000, -0.0004652300000000, 0.0001494000000000 ] - [ 0.0006030100000000, 0.0021017800000000, -0.0003700400000000 ] - [ 0.0104696700000000, 0.0042610200000000, 0.0038447800000000 ] - [ -0.0000758000000000, -0.0013206000000000, 0.0003040300000000 ] - [ 0.0015219300000000, -0.0007197600000000, -0.0000940300000000 ] - [ 0.0008988700000000, -0.0002502900000000, 0.0004708800000000 ] - [ 0.0013382000000000, -0.0000135200000000, -0.0000951600000000 ] - [ 0.0007280400000000, 0.0000808200000000, -0.0002512400000000 ] - [ 0.0004891600000000, -0.0003451200000000, -0.0003954300000000 ] - [ 0.0035169200000000, 0.0017305100000000, 0.0008117500000000 ] - [ 0.0047369600000000, 0.0002789800000000, 0.0001150100000000 ] - [ 0.0004819200000000, -0.0009445200000000, -0.0002793600000000 ] - [ -0.0008142100000000, 0.0024358500000000, 0.0000897900000000 ] - [ -0.0004314600000000, -0.0026876500000000, -0.0036958600000000 ] - [ -0.0035720300000000, 0.0008846400000000, -0.0019598000000000 ] - [ -0.0002397300000000, -0.0019999000000000, -0.0002230600000000 ] - [ 0.0040231500000000, -0.0015501400000000, 0.0014436800000000 ] - [ 0.0000626900000000, 0.0001987800000000, -0.0003238500000000 ] - [ 0.0015993600000000, 0.0014734600000000, -0.0001989000000000 ] - [ 0.0027186600000000, 0.0011965100000000, -0.0003122500000000 ] - [ 0.1790400600000000, -0.1312121100000000, -0.1494638100000000 ] - [ -0.0004691200000000, 0.0001964700000000, -0.0001564600000000 ] - [ -0.0001097300000000, 0.0007105300000000, -0.0006928600000000 ] - [ 0.0007542700000000, -0.0006212900000000, 0.0003033900000000 ] - [ 0.0002259100000000, 0.0001463700000000, 0.0001473800000000 ] - [ 0.0126395500000000, -0.0103062900000000, -0.0096566400000000 ] - [ 0.0047878900000000, -0.0044391100000000, 0.0049113700000000 ] - [ -0.0002040400000000, 0.0009158600000000, -0.0002567400000000 ] - [ 0.0007870300000000, 0.0015801000000000, 0.0013252700000000 ] - [ 0.0000911800000000, 0.0005563400000000, 0.0002474200000000 ] - [ -0.0002318800000000, 0.0059480600000000, -0.0011758400000000 ] - [ 0.0004217000000000, 0.0001298000000000, 0.0000660500000000 ] - [ 0.0001243700000000, 0.0015419400000000, -0.0003748200000000 ] - [ 0.0007037800000000, 0.0000884400000000, 0.0010787100000000 ] - [ -0.0000715700000000, 0.0029202300000000, 0.0091627400000000 ] - [ 0.0001035300000000, 0.0000163900000000, 0.0010044100000000 ] - [ -0.0009648000000000, 0.0016380800000000, 0.0001692800000000 ] - [ 0.0014603700000000, -0.0007999900000000, -0.0007908800000000 ] - [ 0.0003869000000000, 0.0000460400000000, 0.0004497700000000 ] - [ 0.0004059900000000, 0.0002333400000000, -0.0003982200000000 ] - [ -0.0004016200000000, 0.0003608900000000, -0.0004114900000000 ] - [ 0.0003933900000000, -0.0004916900000000, -0.0000403300000000 ] - [ -0.0098586400000000, -0.0011296700000000, -0.0001761900000000 ] - [ 0.0000951500000000, 0.0002559100000000, -0.0001825100000000 ] - [ -0.0024759500000000, -0.0000080300000000, -0.0008311000000000 ] - [ -0.0000172500000000, 0.0003406000000000, 0.0008069800000000 ] - [ -0.0000901000000000, 0.0001699000000000, 0.0011817700000000 ] - [ -0.0002334600000000, -0.0005395500000000, 0.0012886200000000 ] - [ 0.0001058600000000, 0.0004021700000000, -0.0000049000000000 ] - [ -0.0015153400000000, -0.0035131600000000, 0.0006479100000000 ] - [ -0.0001188100000000, -0.0007605000000000, -0.0000201400000000 ] - [ 0.0000432200000000, 0.0009534800000000, 0.0003303900000000 ] - [ -0.0002731500000000, 0.0005240100000000, 0.0000348300000000 ] - [ -0.0001867200000000, 0.0001363400000000, 0.0001864700000000 ] - [ -0.0005939000000000, 0.0000369900000000, 0.0000778000000000 ] - [ -0.0000375800000000, -0.0003280600000000, -0.0000799900000000 ] - [ 0.0000528300000000, -0.0001263600000000, -0.0004400500000000 ] - [ 0.0000466600000000, -0.0005998600000000, -0.0007575700000000 ] - [ -0.0001784200000000, 0.0005127800000000, -0.0006706600000000 ] - [ 0.0002743100000000, 0.0003283800000000, -0.0004076700000000 ] - [ 0.0000037800000000, 0.0002238300000000, -0.0003244400000000 ] - [ -0.0008795200000000, -0.0004661400000000, -0.0000914300000000 ] - [ -0.0042588100000000, 0.0003380300000000, -0.0003436300000000 ] - [ -0.0000821400000000, 0.0001867900000000, -0.0003293300000000 ] - [ -0.0006854700000000, 0.0004250000000000, 0.0004763500000000 ] - [ -0.0019708200000000, 0.0001867100000000, 0.0005784800000000 ] - [ -0.0029517800000000, -0.0009661200000000, 0.0006158400000000 ] - [ -0.0003151800000000, 0.0000094800000000, 0.0003912500000000 ] - [ -0.0010118600000000, -0.0000042200000000, 0.0001378900000000 ] - [ -0.0006291600000000, 0.0002536400000000, 0.0003738400000000 ] - [ -0.0009356000000000, 0.0001545500000000, 0.0000529600000000 ] - [ -0.0009367700000000, 0.0000636000000000, 0.0000234200000000 ] - [ -0.0006570400000000, 0.0008146500000000, 0.0003705600000000 ] - [ -0.0005871300000000, 0.0007946500000000, 0.0003603600000000 ] - [ -0.0008152900000000, -0.0007389600000000, 0.0002942000000000 ] - [ -0.0004434500000000, -0.0004505300000000, 0.0000723200000000 ] - [ -0.0002450400000000, 0.0000748000000000, -0.0000689900000000 ] - [ -0.0010847900000000, -0.0005055100000000, -0.0000630300000000 ] - [ -0.0009997100000000, -0.0007208300000000, -0.0000558100000000 ] - [ -0.0001987500000000, 0.0008942900000000, -0.0002764200000000 ] - [ -0.0000962200000000, 0.0000345900000000, -0.0009201800000000 ] - [ -0.0005910700000000, -0.0002532500000000, -0.0011701600000000 ] - [ -0.0013952600000000, -0.0004085300000000, -0.0014492600000000 ] - [ -0.0000821300000000, 0.0002864800000000, -0.0008378600000000 ] - [ 0.0002031100000000, 0.0002073900000000, 0.0003377500000000 ] - [ -0.0023936100000000, -0.0006888400000000, -0.0011782100000000 ] - [ -0.0023345200000000, 0.0000320400000000, 0.0000113000000000 ] - [ -0.0001621200000000, 0.0002482100000000, 0.0001605400000000 ] - [ -0.0004595900000000, -0.0006433100000000, 0.0004249200000000 ] - [ -0.0008111200000000, 0.0001129600000000, 0.0010033800000000 ] - [ 0.0004431500000000, -0.0004740000000000, 0.0000915300000000 ] - [ -0.0006439800000000, 0.0006927600000000, 0.0005126900000000 ] - [ 0.0001500900000000, -0.0004371300000000, -0.0014464700000000 ] - [ -0.0003526100000000, 0.0023083100000000, 0.0011582400000000 ] - [ 0.0003769300000000, -0.0011314600000000, 0.0018573400000000 ] - [ 0.0000049700000000, 0.0005190400000000, -0.0013742900000000 ] - [ 0.0007567200000000, 0.0000040800000000, 0.0002506800000000 ] - [ -0.0000258800000000, 0.0030332900000000, -0.0011401300000000 ] - [ 0.0001103000000000, -0.0029621900000000, -0.0007323600000000 ] - [ 0.0003043300000000, 0.0010995200000000, 0.0006585700000000 ] - [ 0.0002114900000000, -0.0000999600000000, -0.0000346800000000 ] - [ -0.0179008000000000, 0.0378718900000000, 0.0077785800000000 ] - [ 0.0026567200000000, 0.0012598000000000, 0.0030498600000000 ] - [ 0.0004975900000000, 0.0010653500000000, 0.0003860300000000 ] - [ 0.0004777500000000, 0.0005332300000000, 0.0005356100000000 ] - [ 0.0029213100000000, -0.0015884600000000, -0.0020085300000000 ] - [ -0.0137632900000000, 0.0030117800000000, 0.0392163800000000 ] - [ 0.0007492700000000, 0.0003312300000000, 0.0000193800000000 ] - [ 0.0012176200000000, -0.0007085400000000, 0.0004588400000000 ] - [ 0.0011050600000000, 0.0001222200000000, 0.0011055100000000 ] - [ 0.0046690100000000, 0.0003690700000000, 0.0003966200000000 ] - [ 0.0007957000000000, 0.0007405600000000, 0.0004671600000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006896200000000, -0.0033724300000000, 0.0012217700000000 ] - [ -0.0050533300000000, -0.0098370500000000, -0.0079230700000000 ] - [ -0.0068144200000000, 0.0153405400000000, 0.0096855700000000 ] - [ -0.0003963400000000, -0.0028232000000000, 0.0003335600000000 ] - [ 0.0020590900000000, -0.0017128900000000, 0.0000808600000000 ] - [ -0.0005574400000000, 0.0021436200000000, -0.0000887000000000 ] - [ 0.0024771800000000, 0.0022291400000000, 0.0011686700000000 ] - [ -0.0002253400000000, -0.0021660000000000, 0.0003267300000000 ] - [ -0.0003611200000000, -0.0010470300000000, -0.0004654600000000 ] - [ 0.0013112200000000, 0.0009248900000000, -0.0005352100000000 ] - [ 0.0000001100000000, 0.0024587500000000, 0.0000175100000000 ] - [ 0.0003685200000000, -0.0021190400000000, -0.0002764900000000 ] - [ -0.0013024500000000, -0.0033247700000000, -0.0002910600000000 ] - [ 0.0038801900000000, -0.0100861000000000, 0.0096085700000000 ] - [ -0.0003987400000000, 0.0059277300000000, -0.0035358300000000 ] - [ 0.0002777400000000, -0.0028939100000000, -0.0004788000000000 ] - [ -0.0001269700000000, -0.0027655100000000, -0.0001640100000000 ] - [ -0.0034448500000000, 0.0101890500000000, -0.0035696100000000 ] - [ -0.0886429300000000, 0.1755035200000000, 0.1086492500000000 ] - [ -0.0002144100000000, -0.0033557300000000, 0.0000607900000000 ] - [ 0.0003756100000000, -0.0109943000000000, 0.0018390300000000 ] - [ -0.0033837100000000, -0.0036104000000000, 0.0028395500000000 ] - [ -0.0023468100000000, 0.0000334800000000, -0.0061581000000000 ] - [ -0.0003091600000000, -0.0030947700000000, 0.0001979800000000 ] - [ 0.0005209300000000, -0.0017173400000000, 0.0001569600000000 ] - [ -0.0021739500000000, 0.0040686600000000, -0.0016056200000000 ] - [ 0.0058939900000000, 0.0062186800000000, 0.0040989000000000 ] - [ -0.0002947500000000, -0.0026493500000000, 0.0003574900000000 ] - [ 0.0009196000000000, -0.0003703000000000, 0.0002023600000000 ] - [ 0.0002667600000000, -0.0009941700000000, 0.0002209800000000 ] - [ 0.0007573900000000, 0.0004708300000000, -0.0003182000000000 ] - [ 0.0001924200000000, -0.0007145000000000, -0.0001260500000000 ] - [ -0.0000296200000000, -0.0016271000000000, -0.0005485900000000 ] - [ 0.0030092100000000, 0.0036731000000000, 0.0010938800000000 ] - [ 0.0015409500000000, 0.0026608800000000, -0.0005151000000000 ] - [ 0.0004385700000000, -0.0021801700000000, -0.0002641000000000 ] - [ -0.0012709200000000, -0.0005750200000000, 0.0004190500000000 ] - [ 0.0030616200000000, -0.0040786800000000, -0.0032869800000000 ] - [ -0.0104283800000000, -0.0020381200000000, -0.0030255500000000 ] - [ 0.0001360300000000, -0.0028364400000000, -0.0002121300000000 ] - [ 0.0022731900000000, -0.0011157800000000, 0.0010207700000000 ] - [ -0.0006081100000000, 0.0010526100000000, -0.0004226300000000 ] - [ 0.0017356000000000, 0.0023265000000000, -0.0001805000000000 ] - [ 0.0020676800000000, 0.0018194600000000, -0.0008565400000000 ] - [ 0.1308652500000000, -0.2195124900000000, -0.1762550300000000 ] - [ -0.0008528400000000, 0.0010610800000000, 0.0003538400000000 ] - [ 0.0000599700000000, 0.0014250300000000, -0.0010680700000000 ] - [ -0.0012907600000000, -0.0029455100000000, 0.0039521200000000 ] - [ 0.0004515600000000, 0.0010013900000000, 0.0004423400000000 ] - [ -0.0034029100000000, 0.0255396800000000, 0.0389162100000000 ] - [ 0.0035992900000000, -0.0071147200000000, 0.0040757100000000 ] - [ -0.0006370400000000, 0.0018834800000000, -0.0006507600000000 ] - [ 0.0003740500000000, 0.0020661200000000, 0.0017033000000000 ] - [ 0.0002686800000000, 0.0039873200000000, 0.0015186000000000 ] - [ -0.0016923700000000, 0.0092166300000000, -0.0011139400000000 ] - [ 0.0002835000000000, 0.0019946900000000, -0.0007150700000000 ] - [ -0.0001159700000000, 0.0023437200000000, -0.0011287900000000 ] - [ 0.0009246100000000, 0.0017783800000000, -0.0007106300000000 ] - [ -0.0009103700000000, 0.0034289600000000, 0.0111669600000000 ] - [ 0.0001040600000000, 0.0009012100000000, 0.0016615000000000 ] - [ -0.0022281300000000, 0.0029417900000000, 0.0007280300000000 ] - [ 0.0020221500000000, -0.0002966900000000, -0.0013254800000000 ] - [ -0.0012574400000000, -0.0008731900000000, 0.0014009400000000 ] - [ 0.0010093200000000, 0.0010592700000000, -0.0006774200000000 ] - [ -0.0008620500000000, 0.0008104100000000, -0.0006186300000000 ] - [ 0.0028937600000000, -0.0013697100000000, 0.0014309300000000 ] - [ -0.0077931300000000, -0.0036851600000000, -0.0021658900000000 ] - [ 0.0004427900000000, 0.0007417500000000, -0.0000164600000000 ] - [ -0.0010642100000000, -0.0010281700000000, -0.0004488400000000 ] - [ 0.0000206900000000, 0.0007194300000000, 0.0005702000000000 ] - [ -0.0001415600000000, 0.0004846400000000, 0.0013525300000000 ] - [ 0.0002505300000000, -0.0007857200000000, 0.0015213100000000 ] - [ 0.0001414900000000, 0.0013542900000000, -0.0002294900000000 ] - [ -0.0005315700000000, -0.0043762500000000, 0.0004143900000000 ] - [ 0.0004719500000000, -0.0022968000000000, -0.0001331600000000 ] - [ -0.0000130300000000, 0.0019348400000000, 0.0005581200000000 ] - [ -0.0002502500000000, 0.0004568300000000, 0.0000755300000000 ] - [ 0.0002462200000000, 0.0006455800000000, -0.0001156800000000 ] - [ -0.0002418200000000, -0.0005302400000000, -0.0002074400000000 ] - [ 0.0000530500000000, 0.0000378900000000, 0.0000647500000000 ] - [ 0.0000580000000000, -0.0001493800000000, -0.0005065800000000 ] - [ 0.0005284000000000, -0.0001477700000000, -0.0003919800000000 ] - [ 0.0001407900000000, 0.0000008000000000, -0.0002346200000000 ] - [ 0.0003277700000000, 0.0006334900000000, -0.0005521600000000 ] - [ 0.0001447200000000, 0.0005219500000000, -0.0003400200000000 ] - [ 0.0003258500000000, -0.0005380700000000, -0.0001305300000000 ] - [ -0.0018182900000000, -0.0007091800000000, -0.0007257100000000 ] - [ -0.0002247600000000, 0.0005461600000000, -0.0003050600000000 ] - [ -0.0006504000000000, 0.0006781100000000, 0.0004888800000000 ] - [ -0.0010532700000000, -0.0003602800000000, 0.0003619100000000 ] - [ -0.0015813800000000, -0.0011298000000000, 0.0005638200000000 ] - [ 0.0000276000000000, 0.0004112000000000, 0.0003240200000000 ] - [ -0.0006540400000000, -0.0001482200000000, 0.0001937400000000 ] - [ -0.0004038500000000, 0.0006294900000000, 0.0005848800000000 ] - [ -0.0007162400000000, 0.0001059800000000, 0.0000736400000000 ] - [ -0.0008082000000000, 0.0001041400000000, 0.0001074800000000 ] - [ -0.0003904600000000, 0.0007227200000000, 0.0003474100000000 ] - [ -0.0004757600000000, 0.0008831900000000, 0.0003323100000000 ] - [ -0.0004734700000000, -0.0008074000000000, 0.0002224400000000 ] - [ -0.0001723300000000, 0.0000159600000000, -0.0001162500000000 ] - [ -0.0002339800000000, 0.0009698100000000, 0.0001302500000000 ] - [ -0.0005313900000000, -0.0021923500000000, -0.0003709000000000 ] - [ -0.0007577300000000, -0.0021177600000000, 0.0002071500000000 ] - [ -0.0000738300000000, 0.0018594600000000, -0.0004775600000000 ] - [ 0.0000149700000000, 0.0003389500000000, -0.0009991600000000 ] - [ -0.0004484600000000, -0.0006702400000000, -0.0011571500000000 ] - [ -0.0006028500000000, -0.0009254700000000, -0.0014170700000000 ] - [ -0.0000549300000000, 0.0006190100000000, -0.0006840100000000 ] - [ 0.0008357100000000, 0.0007854800000000, 0.0006127600000000 ] - [ -0.0028406600000000, -0.0011886300000000, -0.0015058000000000 ] - [ 0.0002487300000000, -0.0009411500000000, 0.0006592400000000 ] - [ -0.0004300500000000, 0.0006636600000000, 0.0000248300000000 ] - [ 0.0004829100000000, 0.0002813600000000, -0.0000332600000000 ] - [ -0.0018957600000000, -0.0001204900000000, 0.0013351900000000 ] - [ 0.0030700400000000, -0.0007843100000000, -0.0003586500000000 ] - [ -0.0009466900000000, 0.0010120200000000, 0.0006465800000000 ] - [ 0.0002900200000000, 0.0003031400000000, -0.0012626400000000 ] - [ -0.0008590800000000, 0.0023533200000000, 0.0007529400000000 ] - [ 0.0017185100000000, -0.0009837600000000, 0.0022453400000000 ] - [ -0.0000626200000000, 0.0007828400000000, -0.0014798700000000 ] - [ 0.0015807400000000, 0.0021802400000000, -0.0002615400000000 ] - [ -0.0002258600000000, 0.0034783700000000, -0.0012936400000000 ] - [ 0.0004948600000000, -0.0009382000000000, -0.0006141700000000 ] - [ -0.0002207100000000, 0.0023204200000000, 0.0008558300000000 ] - [ -0.0001856900000000, 0.0009238400000000, -0.0004857400000000 ] - [ -0.0325037300000000, 0.0235519600000000, 0.0084630000000000 ] - [ 0.0001173900000000, -0.0020844500000000, 0.0003574700000000 ] - [ 0.0007582200000000, 0.0019348100000000, 0.0007669100000000 ] - [ 0.0001203800000000, 0.0014207200000000, 0.0011075600000000 ] - [ 0.0022464500000000, -0.0029143600000000, -0.0023827300000000 ] - [ 0.0037794900000000, -0.0156398800000000, -0.0031772600000000 ] - [ 0.0009852100000000, 0.0011211600000000, -0.0004420500000000 ] - [ 0.0007052400000000, 0.0000688700000000, 0.0002578500000000 ] - [ -0.0019162600000000, 0.0019154000000000, 0.0009114700000000 ] - [ 0.0088572900000000, 0.0044023600000000, 0.0052501900000000 ] - [ 0.0006657100000000, 0.0010096700000000, 0.0004426200000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002731400000000, 0.0028754600000000, -0.0005421600000000 ] - [ 0.0046402400000000, 0.0093224800000000, 0.0085953300000000 ] - [ 0.0067087300000000, -0.0150829400000000, -0.0096207500000000 ] - [ -0.0000234900000000, 0.0033329400000000, 0.0003486700000000 ] - [ -0.0016481800000000, 0.0022240000000000, 0.0006014200000000 ] - [ 0.0009858900000000, -0.0016397300000000, 0.0007723700000000 ] - [ -0.0020646200000000, -0.0027448000000000, -0.0004825800000000 ] - [ 0.0006493600000000, 0.0016694400000000, 0.0003533300000000 ] - [ -0.0000660000000000, 0.0015485200000000, -0.0002153500000000 ] - [ -0.0017404300000000, -0.0004126200000000, -0.0001457000000000 ] - [ -0.0004266500000000, -0.0029669500000000, -0.0007052100000000 ] - [ -0.0007908300000000, 0.0016199700000000, -0.0004058800000000 ] - [ 0.0017329300000000, 0.0028273800000000, -0.0003918200000000 ] - [ -0.0034727600000000, 0.0095734200000000, -0.0102712700000000 ] - [ 0.0007929400000000, -0.0055180300000000, 0.0029542400000000 ] - [ 0.0001495100000000, 0.0034007800000000, -0.0002045600000000 ] - [ 0.0001293100000000, 0.0032496200000000, 0.0001646300000000 ] - [ 0.0034523900000000, -0.0096661400000000, 0.0035591000000000 ] - [ 0.0838637800000000, -0.1724285000000000, -0.1026531000000000 ] - [ 0.0002171800000000, 0.0028794100000000, -0.0000588000000000 ] - [ -0.0001081300000000, 0.0103924600000000, -0.0012362900000000 ] - [ 0.0036488800000000, 0.0029549000000000, -0.0022171400000000 ] - [ 0.0026417300000000, 0.0006231500000000, 0.0068114400000000 ] - [ 0.0005715500000000, 0.0037613000000000, 0.0004146600000000 ] - [ -0.0007842600000000, 0.0023852500000000, 0.0004592700000000 ] - [ 0.0019119600000000, -0.0034054600000000, 0.0022179900000000 ] - [ -0.0061643400000000, -0.0069075600000000, -0.0035051600000000 ] - [ 0.0000303200000000, 0.0019864500000000, 0.0002581700000000 ] - [ -0.0009293500000000, -0.0001139900000000, -0.0002028100000000 ] - [ -0.0002640300000000, 0.0005185100000000, -0.0002202700000000 ] - [ -0.0007695200000000, 0.0000078800000000, 0.0003223100000000 ] - [ -0.0001914600000000, 0.0011978500000000, 0.0001241400000000 ] - [ 0.0002901200000000, 0.0022925100000000, -0.0000640000000000 ] - [ -0.0027523100000000, -0.0030063200000000, -0.0017038000000000 ] - [ -0.0013137100000000, -0.0033168500000000, -0.0001164200000000 ] - [ -0.0001825200000000, 0.0015157100000000, -0.0003530200000000 ] - [ 0.0010161800000000, -0.0001152200000000, -0.0010393000000000 ] - [ -0.0033232700000000, 0.0034211800000000, 0.0026699800000000 ] - [ 0.0102327500000000, 0.0027076200000000, 0.0024345100000000 ] - [ -0.0003983200000000, 0.0035061000000000, -0.0004035000000000 ] - [ -0.0026315400000000, 0.0013168500000000, -0.0017694000000000 ] - [ 0.0002920100000000, -0.0008706600000000, -0.0003074800000000 ] - [ -0.0020612500000000, -0.0025217700000000, -0.0005473300000000 ] - [ -0.0023795800000000, -0.0020023400000000, 0.0001295600000000 ] - [ -0.1268289800000000, 0.2153399800000000, 0.1696351100000000 ] - [ -0.0000686100000000, -0.0014140700000000, -0.0010317000000000 ] - [ -0.0009814400000000, -0.0010776400000000, 0.0003922700000000 ] - [ 0.0003575000000000, 0.0032846100000000, -0.0046153700000000 ] - [ -0.0008266400000000, -0.0019922500000000, -0.0006830600000000 ] - [ 0.0030595900000000, -0.0261399000000000, -0.0383428200000000 ] - [ -0.0039745900000000, 0.0081099400000000, -0.0042744300000000 ] - [ 0.0002682700000000, -0.0009019800000000, 0.0004141100000000 ] - [ -0.0006456300000000, -0.0013282900000000, -0.0013778500000000 ] - [ -0.0005342100000000, -0.0032347300000000, -0.0011804100000000 ] - [ 0.0014438300000000, -0.0100435300000000, 0.0014548800000000 ] - [ -0.0005494600000000, -0.0027485900000000, 0.0010521800000000 ] - [ 0.0001093500000000, -0.0021413500000000, 0.0029629900000000 ] - [ -0.0009340400000000, -0.0015586200000000, 0.0025226200000000 ] - [ 0.0009150100000000, -0.0036781500000000, -0.0094324100000000 ] - [ -0.0001092800000000, -0.0011159200000000, 0.0001595500000000 ] - [ 0.0025233200000000, -0.0030509900000000, -0.0013036200000000 ] - [ -0.0017440400000000, 0.0002094800000000, 0.0007532700000000 ] - [ 0.0015420800000000, 0.0009678800000000, -0.0019897000000000 ] - [ -0.0007305200000000, -0.0009740300000000, 0.0001115800000000 ] - [ 0.0005823400000000, -0.0007321600000000, 0.0000527600000000 ] - [ -0.0031793800000000, 0.0014581600000000, -0.0020022900000000 ] - [ 0.0075335800000000, 0.0036312500000000, 0.0016052100000000 ] - [ -0.0007321300000000, -0.0008294800000000, -0.0005551400000000 ] - [ 0.0010684300000000, 0.0012532400000000, 0.0022703300000000 ] - [ -0.0000189800000000, -0.0005019900000000, 0.0012508300000000 ] - [ 0.0001494200000000, -0.0007067400000000, 0.0004605600000000 ] - [ -0.0002476300000000, 0.0005697600000000, 0.0002948300000000 ] - [ 0.0001200100000000, -0.0021121000000000, 0.0005682800000000 ] - [ 0.0007935700000000, 0.0036429300000000, -0.0000750000000000 ] - [ -0.0002080100000000, 0.0030456600000000, 0.0004688500000000 ] - [ 0.0002761400000000, -0.0011836400000000, -0.0002244100000000 ] - [ 0.0006170900000000, 0.0005183400000000, -0.0003090100000000 ] - [ 0.0001189600000000, 0.0003375100000000, -0.0001198800000000 ] - [ 0.0006133500000000, -0.0004516800000000, -0.0000275500000000 ] - [ 0.0003158100000000, -0.0010220300000000, -0.0003047500000000 ] - [ 0.0008712100000000, -0.0002004000000000, -0.0001647200000000 ] - [ 0.0003914100000000, -0.0002014800000000, -0.0002846000000000 ] - [ 0.0007792700000000, 0.0003580600000000, -0.0004514000000000 ] - [ 0.0005946900000000, -0.0002841300000000, -0.0001218500000000 ] - [ 0.0001715100000000, -0.0003459700000000, -0.0003874500000000 ] - [ -0.0000042300000000, 0.0007198000000000, -0.0005984900000000 ] - [ 0.0021406500000000, 0.0005329600000000, 0.0000038200000000 ] - [ 0.0005375800000000, -0.0007251900000000, -0.0004229000000000 ] - [ 0.0003446600000000, -0.0005040800000000, 0.0002365800000000 ] - [ 0.0007416300000000, 0.0005385800000000, 0.0003641300000000 ] - [ 0.0012814000000000, 0.0009536600000000, 0.0001640900000000 ] - [ -0.0003533000000000, -0.0005915400000000, 0.0004052000000000 ] - [ -0.0002616500000000, 0.0004996900000000, 0.0004831500000000 ] - [ -0.0005205200000000, -0.0002787600000000, 0.0000893900000000 ] - [ -0.0002067700000000, -0.0004539200000000, 0.0005997000000000 ] - [ -0.0001089000000000, -0.0004590500000000, 0.0005737000000000 ] - [ 0.0000221600000000, 0.0002647400000000, -0.0001056500000000 ] - [ 0.0001108800000000, 0.0000959200000000, -0.0000999100000000 ] - [ 0.0001096200000000, -0.0001753100000000, 0.0000154200000000 ] - [ -0.0001931800000000, -0.0009956000000000, 0.0003517000000000 ] - [ -0.0000284700000000, -0.0017167500000000, -0.0004669700000000 ] - [ 0.0002763600000000, 0.0014369500000000, 0.0000346300000000 ] - [ 0.0004986100000000, 0.0028761000000000, -0.0005465700000000 ] - [ -0.0001901500000000, -0.0011101200000000, 0.0001438000000000 ] - [ -0.0000197600000000, -0.0005577100000000, -0.0008163900000000 ] - [ 0.0004454700000000, 0.0004483200000000, -0.0006570300000000 ] - [ 0.0006087900000000, 0.0011434000000000, -0.0003976200000000 ] - [ 0.0000512500000000, -0.0004003900000000, -0.0011406600000000 ] - [ -0.0005563300000000, -0.0007047600000000, -0.0000474600000000 ] - [ 0.0031245900000000, 0.0012719400000000, 0.0020714300000000 ] - [ 0.0000585900000000, 0.0008538700000000, -0.0000851900000000 ] - [ 0.0007097500000000, -0.0007467200000000, 0.0005444400000000 ] - [ -0.0007606700000000, -0.0003618000000000, 0.0006013600000000 ] - [ 0.0016177600000000, 0.0000316200000000, -0.0007673100000000 ] - [ -0.0033643200000000, 0.0008752700000000, 0.0009306800000000 ] - [ 0.0006678800000000, -0.0009267700000000, -0.0000764800000000 ] - [ -0.0002854000000000, -0.0000815400000000, -0.0005468400000000 ] - [ 0.0008699200000000, -0.0021348300000000, -0.0025635000000000 ] - [ -0.0017253400000000, 0.0007782500000000, -0.0041015400000000 ] - [ 0.0000728500000000, -0.0010031500000000, -0.0003289900000000 ] - [ -0.0013266700000000, -0.0014364600000000, -0.0000775700000000 ] - [ 0.0004931700000000, -0.0027289000000000, 0.0009586800000000 ] - [ -0.0002308700000000, 0.0002145200000000, 0.0002858900000000 ] - [ 0.0004883100000000, -0.0030723500000000, -0.0011910900000000 ] - [ 0.0005602800000000, -0.0019141000000000, 0.0007259600000000 ] - [ 0.0321287900000000, -0.0242066200000000, -0.0081055600000000 ] - [ 0.0002428500000000, 0.0030580800000000, -0.0001406000000000 ] - [ -0.0003872600000000, -0.0009509600000000, -0.0005287300000000 ] - [ 0.0008031400000000, -0.0010743900000000, -0.0004334300000000 ] - [ -0.0013205600000000, 0.0032520200000000, 0.0030545100000000 ] - [ -0.0026153700000000, 0.0152261200000000, 0.0035040400000000 ] - [ -0.0000628900000000, -0.0014748300000000, 0.0011202400000000 ] - [ -0.0003970500000000, -0.0002460900000000, 0.0004706700000000 ] - [ 0.0022360200000000, -0.0021017300000000, -0.0001849700000000 ] - [ -0.0086184600000000, -0.0042515300000000, -0.0045660400000000 ] - [ -0.0003513100000000, -0.0008320900000000, 0.0002854800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011551700000000, -0.0019824900000000, 0.0008550300000000 ] - [ -0.0046351100000000, -0.0105838500000000, -0.0088618200000000 ] - [ -0.0113559400000000, 0.0149826600000000, 0.0231794500000000 ] - [ -0.0002437900000000, -0.0014612500000000, 0.0002068800000000 ] - [ 0.0016211600000000, -0.0011437500000000, 0.0001764900000000 ] - [ 0.0002693900000000, 0.0022886000000000, -0.0002799900000000 ] - [ 0.0018549700000000, 0.0013486200000000, 0.0008674000000000 ] - [ -0.0001445300000000, -0.0013974600000000, 0.0003609600000000 ] - [ 0.0002373300000000, -0.0003209700000000, -0.0006111700000000 ] - [ 0.0009553800000000, 0.0000515000000000, -0.0009456500000000 ] - [ 0.0007364100000000, 0.0012681700000000, 0.0007013600000000 ] - [ 0.0000818700000000, -0.0012462100000000, -0.0002497400000000 ] - [ -0.0010422500000000, -0.0022137800000000, 0.0003371700000000 ] - [ 0.0009112000000000, -0.0022191000000000, 0.0046938800000000 ] - [ 0.0037241100000000, 0.0117582900000000, -0.0167002500000000 ] - [ 0.0003558100000000, -0.0016650300000000, -0.0005630700000000 ] - [ -0.0000977800000000, -0.0015520900000000, -0.0002403100000000 ] - [ -0.0109733400000000, 0.0112212000000000, -0.0133918800000000 ] - [ -0.0934426200000000, 0.1063890300000000, 0.1872575300000000 ] - [ -0.0002175000000000, -0.0020176500000000, 0.0001284500000000 ] - [ 0.0000096900000000, -0.0088119000000000, 0.0018852200000000 ] - [ -0.0012129600000000, -0.0016214400000000, 0.0040651400000000 ] - [ -0.0054465300000000, 0.0007742900000000, -0.0103661000000000 ] - [ -0.0001538000000000, -0.0024372400000000, 0.0000979700000000 ] - [ 0.0003581200000000, -0.0009179100000000, 0.0000775000000000 ] - [ -0.0017541500000000, 0.0029794000000000, -0.0024754700000000 ] - [ 0.0079607900000000, 0.0050727300000000, 0.0076694500000000 ] - [ -0.0002317400000000, -0.0017741500000000, 0.0003980300000000 ] - [ 0.0009414300000000, -0.0003167900000000, 0.0003997000000000 ] - [ 0.0002925100000000, -0.0005905600000000, 0.0004779400000000 ] - [ 0.0008595200000000, 0.0002648300000000, -0.0006120000000000 ] - [ 0.0002285400000000, -0.0002194400000000, -0.0002944700000000 ] - [ 0.0001299100000000, -0.0007906700000000, -0.0005871100000000 ] - [ 0.0014643400000000, 0.0019956300000000, -0.0003316300000000 ] - [ 0.0046549600000000, -0.0000017200000000, 0.0014517200000000 ] - [ 0.0003488900000000, -0.0012589500000000, -0.0002082100000000 ] - [ -0.0007733400000000, 0.0029345900000000, 0.0006115600000000 ] - [ 0.0032472200000000, -0.0030082900000000, -0.0003423300000000 ] - [ -0.0120503900000000, -0.0026258500000000, -0.0048643500000000 ] - [ 0.0000366600000000, -0.0008624000000000, -0.0004373000000000 ] - [ 0.0047896300000000, -0.0022793100000000, 0.0030735000000000 ] - [ -0.0005825400000000, 0.0008511800000000, -0.0003947700000000 ] - [ 0.0014574700000000, 0.0018288700000000, -0.0003275600000000 ] - [ 0.0003925000000000, 0.0003746700000000, -0.0012855300000000 ] - [ 0.1492428000000000, -0.1762445100000000, -0.2705920700000000 ] - [ -0.0006524400000000, 0.0005074100000000, 0.0000137800000000 ] - [ -0.0001181900000000, 0.0009036100000000, -0.0007217700000000 ] - [ -0.0011314500000000, -0.0040803100000000, 0.0060989800000000 ] - [ 0.0002521800000000, 0.0003783700000000, 0.0001899700000000 ] - [ -0.0026951000000000, 0.0416145500000000, 0.0263910800000000 ] - [ 0.0061057400000000, -0.0091168900000000, 0.0145579700000000 ] - [ -0.0004369600000000, 0.0012962500000000, -0.0003866300000000 ] - [ 0.0008195600000000, 0.0016782800000000, 0.0021827300000000 ] - [ 0.0001879600000000, 0.0037577300000000, 0.0015076000000000 ] - [ -0.0008461500000000, 0.0079673000000000, -0.0030907300000000 ] - [ -0.0000100100000000, 0.0007808500000000, -0.0006094600000000 ] - [ -0.0000295000000000, 0.0019774200000000, -0.0011232500000000 ] - [ 0.0006654800000000, 0.0018217000000000, -0.0014545400000000 ] - [ -0.0006874200000000, 0.0049177800000000, 0.0153721700000000 ] - [ 0.0000753100000000, 0.0007069600000000, 0.0016694600000000 ] - [ -0.0014329800000000, 0.0020756200000000, 0.0003159500000000 ] - [ 0.0013074700000000, -0.0006771400000000, -0.0013748100000000 ] - [ -0.0004705800000000, -0.0010854900000000, 0.0025396800000000 ] - [ 0.0007874000000000, 0.0008250500000000, -0.0005744600000000 ] - [ -0.0005440500000000, 0.0004975700000000, -0.0004623900000000 ] - [ 0.0027077100000000, -0.0011134500000000, 0.0015246400000000 ] - [ -0.0105592900000000, -0.0029147300000000, -0.0034276500000000 ] - [ 0.0002068600000000, 0.0004204900000000, -0.0001330000000000 ] - [ -0.0006402600000000, -0.0003157000000000, -0.0021260300000000 ] - [ 0.0000172100000000, 0.0004931700000000, 0.0006635200000000 ] - [ -0.0001118600000000, 0.0002930200000000, 0.0012838100000000 ] - [ 0.0000195500000000, -0.0005545200000000, 0.0021567400000000 ] - [ 0.0001284100000000, 0.0007206600000000, -0.0000962300000000 ] - [ -0.0010777600000000, -0.0037037400000000, -0.0001356000000000 ] - [ 0.0003647200000000, -0.0013461900000000, 0.0003230000000000 ] - [ 0.0000354000000000, 0.0013198400000000, 0.0004264000000000 ] - [ -0.0002677800000000, 0.0004649900000000, 0.0001304500000000 ] - [ 0.0001015200000000, 0.0003884000000000, 0.0000547000000000 ] - [ -0.0001822600000000, -0.0005033600000000, -0.0002415900000000 ] - [ 0.0001265800000000, -0.0002252400000000, -0.0000976800000000 ] - [ 0.0000570300000000, -0.0002359000000000, -0.0006037500000000 ] - [ 0.0003667200000000, -0.0003483800000000, -0.0006046800000000 ] - [ 0.0001428900000000, 0.0000731300000000, -0.0001383200000000 ] - [ 0.0004025400000000, 0.0003944500000000, -0.0003849300000000 ] - [ 0.0000410900000000, 0.0003138400000000, -0.0003047400000000 ] - [ 0.0002470700000000, -0.0003202700000000, 0.0000424200000000 ] - [ -0.0028024900000000, -0.0003016500000000, -0.0011633600000000 ] - [ -0.0000508400000000, 0.0002857400000000, -0.0003434200000000 ] - [ -0.0005700600000000, 0.0004755900000000, 0.0004748400000000 ] - [ -0.0007496100000000, -0.0001626800000000, 0.0005229900000000 ] - [ -0.0024522400000000, -0.0008751900000000, 0.0003711500000000 ] - [ -0.0001047300000000, 0.0001588600000000, 0.0003391300000000 ] - [ -0.0006666900000000, 0.0000353400000000, 0.0003534700000000 ] - [ -0.0004369800000000, 0.0004287400000000, 0.0005261500000000 ] - [ -0.0007837700000000, 0.0000504200000000, 0.0000474800000000 ] - [ -0.0007550400000000, 0.0000831300000000, 0.0000476000000000 ] - [ -0.0005073700000000, 0.0007574800000000, 0.0004510200000000 ] - [ -0.0004292600000000, 0.0008069500000000, 0.0003713800000000 ] - [ -0.0005101000000000, -0.0006583700000000, 0.0000493900000000 ] - [ -0.0001891900000000, -0.0002167300000000, -0.0000796100000000 ] - [ -0.0002211800000000, 0.0002908000000000, -0.0000299400000000 ] - [ -0.0009256600000000, -0.0005061400000000, -0.0003058200000000 ] - [ -0.0004713400000000, -0.0009239400000000, 0.0001254500000000 ] - [ -0.0001139500000000, 0.0012043000000000, -0.0003181700000000 ] - [ -0.0000186500000000, 0.0001121900000000, -0.0008456900000000 ] - [ -0.0002199200000000, -0.0004511800000000, -0.0004973800000000 ] - [ -0.0011487700000000, -0.0005260900000000, -0.0022912400000000 ] - [ -0.0000416200000000, 0.0003593400000000, -0.0008577400000000 ] - [ 0.0005567500000000, 0.0005013200000000, 0.0004728700000000 ] - [ -0.0009633300000000, -0.0005320700000000, -0.0004198200000000 ] - [ -0.0030582500000000, -0.0000587200000000, 0.0000980400000000 ] - [ -0.0002105700000000, 0.0003524600000000, 0.0001308200000000 ] - [ -0.0003957200000000, -0.0006984100000000, 0.0003878600000000 ] - [ -0.0013715300000000, 0.0000818400000000, 0.0007234100000000 ] - [ 0.0029387500000000, -0.0003989100000000, -0.0000773400000000 ] - [ -0.0005096100000000, 0.0004515900000000, 0.0004621300000000 ] - [ 0.0001742600000000, -0.0004866600000000, -0.0018931900000000 ] - [ -0.0005573700000000, 0.0007302900000000, -0.0011724000000000 ] - [ 0.0015227700000000, -0.0016498800000000, 0.0048201900000000 ] - [ -0.0000401600000000, 0.0002672600000000, -0.0010362200000000 ] - [ 0.0018984400000000, 0.0023320000000000, -0.0000152800000000 ] - [ 0.0000082500000000, 0.0015065500000000, -0.0006090000000000 ] - [ -0.0000252300000000, -0.0035590400000000, -0.0008841400000000 ] - [ -0.0003199300000000, 0.0014528200000000, 0.0002015000000000 ] - [ 0.0000135500000000, 0.0003298700000000, -0.0002908200000000 ] - [ 0.0000764700000000, 0.0011799600000000, -0.0138009100000000 ] - [ 0.0037220100000000, 0.0014214600000000, 0.0055490400000000 ] - [ 0.0005410000000000, 0.0013603100000000, 0.0005487200000000 ] - [ 0.0002769500000000, 0.0009447600000000, 0.0008252400000000 ] - [ 0.0027963400000000, -0.0025129600000000, 0.0002376300000000 ] - [ -0.0384852900000000, 0.0032006700000000, 0.0391813800000000 ] - [ 0.0007877600000000, 0.0005965200000000, -0.0001491700000000 ] - [ 0.0011844500000000, -0.0007721800000000, 0.0003859100000000 ] - [ -0.0024324300000000, 0.0020305100000000, 0.0004629100000000 ] - [ 0.0107599300000000, 0.0061494300000000, 0.0051259500000000 ] - [ 0.0003596900000000, 0.0004856700000000, 0.0004246800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007324300000000, 0.0015017800000000, -0.0001748600000000 ] - [ 0.0042315500000000, 0.0100930000000000, 0.0095768400000000 ] - [ 0.0116971200000000, -0.0155953100000000, -0.0237997800000000 ] - [ -0.0001806500000000, 0.0019811100000000, 0.0004715400000000 ] - [ -0.0012032400000000, 0.0016593500000000, 0.0005010900000000 ] - [ 0.0001604800000000, -0.0018003900000000, 0.0009584500000000 ] - [ -0.0014331300000000, -0.0018669000000000, -0.0001768100000000 ] - [ 0.0005755300000000, 0.0009075100000000, 0.0003195400000000 ] - [ -0.0006672900000000, 0.0008297800000000, -0.0000675200000000 ] - [ -0.0013998500000000, 0.0004447600000000, 0.0002670800000000 ] - [ -0.0011752400000000, -0.0017891500000000, -0.0013853800000000 ] - [ -0.0005168200000000, 0.0007559200000000, -0.0004315700000000 ] - [ 0.0014790700000000, 0.0017317300000000, -0.0010240200000000 ] - [ -0.0005145700000000, 0.0018380100000000, -0.0055041300000000 ] - [ -0.0032873400000000, -0.0112634700000000, 0.0160384500000000 ] - [ 0.0000761300000000, 0.0021873700000000, -0.0001167600000000 ] - [ 0.0000997400000000, 0.0020484500000000, 0.0002399900000000 ] - [ 0.0110962900000000, -0.0108852300000000, 0.0134309000000000 ] - [ 0.0874094300000000, -0.0999507400000000, -0.1816763600000000 ] - [ 0.0002201800000000, 0.0015560500000000, -0.0001272300000000 ] - [ 0.0002496400000000, 0.0082088900000000, -0.0012800000000000 ] - [ 0.0015126200000000, 0.0009759400000000, -0.0034459200000000 ] - [ 0.0057175200000000, -0.0001028000000000, 0.0110809700000000 ] - [ 0.0004154700000000, 0.0031106900000000, 0.0005152400000000 ] - [ -0.0006201300000000, 0.0015971800000000, 0.0005391200000000 ] - [ 0.0014954300000000, -0.0023303000000000, 0.0030984400000000 ] - [ -0.0082647600000000, -0.0057923100000000, -0.0071385000000000 ] - [ -0.0000263600000000, 0.0011188400000000, 0.0002183700000000 ] - [ -0.0009493200000000, -0.0001608000000000, -0.0004019700000000 ] - [ -0.0002946700000000, 0.0001174200000000, -0.0004789200000000 ] - [ -0.0008722800000000, 0.0002149700000000, 0.0006153600000000 ] - [ -0.0002317400000000, 0.0007010900000000, 0.0002939700000000 ] - [ 0.0001279500000000, 0.0014679700000000, -0.0000270000000000 ] - [ -0.0012401800000000, -0.0013532300000000, -0.0003047900000000 ] - [ -0.0044004600000000, -0.0006902800000000, -0.0020515600000000 ] - [ -0.0000979900000000, 0.0006016100000000, -0.0004093600000000 ] - [ 0.0005203700000000, -0.0036069800000000, -0.0012260900000000 ] - [ -0.0035058800000000, 0.0023704600000000, -0.0002243700000000 ] - [ 0.0118890000000000, 0.0033104500000000, 0.0042513700000000 ] - [ -0.0002950400000000, 0.0015594400000000, -0.0001803200000000 ] - [ -0.0051826600000000, 0.0024845400000000, -0.0038468700000000 ] - [ 0.0002156900000000, -0.0006582300000000, -0.0003495300000000 ] - [ -0.0018371800000000, -0.0020398000000000, -0.0004163500000000 ] - [ -0.0007887400000000, -0.0005880000000000, 0.0005435500000000 ] - [ -0.1443804900000000, 0.1696425300000000, 0.2652774700000000 ] - [ -0.0002462800000000, -0.0008939500000000, -0.0007212700000000 ] - [ -0.0007857900000000, -0.0005347400000000, 0.0000246200000000 ] - [ 0.0002229700000000, 0.0045033300000000, -0.0068368500000000 ] - [ -0.0006051400000000, -0.0013566400000000, -0.0004166000000000 ] - [ 0.0023447900000000, -0.0418542300000000, -0.0263464100000000 ] - [ -0.0065110400000000, 0.0102019300000000, -0.0149707400000000 ] - [ 0.0000933400000000, -0.0003394000000000, 0.0001697900000000 ] - [ -0.0010939500000000, -0.0009798000000000, -0.0018669600000000 ] - [ -0.0004602200000000, -0.0030319000000000, -0.0011686200000000 ] - [ 0.0005738200000000, -0.0087513900000000, 0.0034768000000000 ] - [ -0.0002666600000000, -0.0015212400000000, 0.0009519300000000 ] - [ 0.0000287000000000, -0.0017824900000000, 0.0029891500000000 ] - [ -0.0006758300000000, -0.0016065600000000, 0.0032932900000000 ] - [ 0.0007146600000000, -0.0051891000000000, -0.0136614600000000 ] - [ -0.0000772200000000, -0.0009223800000000, 0.0001783000000000 ] - [ 0.0017305000000000, -0.0021937600000000, -0.0009103100000000 ] - [ -0.0010368400000000, 0.0005809300000000, 0.0007889500000000 ] - [ 0.0007760200000000, 0.0012009500000000, -0.0031677700000000 ] - [ -0.0005042800000000, -0.0007267600000000, -0.0000120800000000 ] - [ 0.0002581400000000, -0.0004062600000000, -0.0001256900000000 ] - [ -0.0030089400000000, 0.0012206800000000, -0.0021241000000000 ] - [ 0.0103618400000000, 0.0028461900000000, 0.0028801700000000 ] - [ -0.0005030700000000, -0.0005254800000000, -0.0004607500000000 ] - [ 0.0006323700000000, 0.0005361900000000, 0.0040026300000000 ] - [ -0.0000193500000000, -0.0002794900000000, 0.0011842600000000 ] - [ 0.0001128100000000, -0.0005150600000000, 0.0005591100000000 ] - [ -0.0000188700000000, 0.0003463600000000, -0.0003121000000000 ] - [ 0.0001381200000000, -0.0014626900000000, 0.0004384100000000 ] - [ 0.0013514600000000, 0.0030132100000000, 0.0004816500000000 ] - [ -0.0000964300000000, 0.0020827300000000, 0.0000145600000000 ] - [ 0.0002315700000000, -0.0006011300000000, -0.0000900300000000 ] - [ 0.0006140000000000, 0.0004919200000000, -0.0003488600000000 ] - [ 0.0002419400000000, 0.0005793300000000, -0.0002753500000000 ] - [ 0.0005295300000000, -0.0004621600000000, 0.0000221000000000 ] - [ 0.0002186600000000, -0.0007420300000000, -0.0001258200000000 ] - [ 0.0008477700000000, -0.0001463500000000, -0.0000966600000000 ] - [ 0.0005326900000000, -0.0000280700000000, -0.0000972700000000 ] - [ 0.0007599000000000, 0.0003097700000000, -0.0005712100000000 ] - [ 0.0004976100000000, -0.0000170700000000, -0.0003150200000000 ] - [ 0.0003240800000000, -0.0001256000000000, -0.0004387000000000 ] - [ 0.0001281700000000, 0.0005195100000000, -0.0007876500000000 ] - [ 0.0031955400000000, 0.0001129900000000, 0.0004305600000000 ] - [ 0.0004162200000000, -0.0004804100000000, -0.0003993500000000 ] - [ 0.0002093200000000, -0.0002877200000000, 0.0002660500000000 ] - [ 0.0003957700000000, 0.0003588200000000, 0.0002207100000000 ] - [ 0.0020972000000000, 0.0006893700000000, 0.0003671400000000 ] - [ -0.0002652500000000, -0.0003538500000000, 0.0004038400000000 ] - [ -0.0002263500000000, 0.0003448900000000, 0.0003502200000000 ] - [ -0.0004644200000000, -0.0000498800000000, 0.0001749500000000 ] - [ -0.0001143700000000, -0.0004321600000000, 0.0006558100000000 ] - [ -0.0001393300000000, -0.0004654800000000, 0.0006572800000000 ] - [ 0.0001660100000000, 0.0002045400000000, -0.0002327200000000 ] - [ 0.0000890900000000, 0.0001554400000000, -0.0001544600000000 ] - [ 0.0001701000000000, -0.0003065000000000, 0.0001711000000000 ] - [ -0.0001528500000000, -0.0007484000000000, 0.0002994400000000 ] - [ -0.0000452600000000, -0.0010224200000000, -0.0003109800000000 ] - [ 0.0006642400000000, -0.0002058100000000, -0.0000344700000000 ] - [ 0.0002133900000000, 0.0016706500000000, -0.0004678500000000 ] - [ -0.0001544400000000, -0.0004860600000000, -0.0000202000000000 ] - [ 0.0000189900000000, -0.0003297200000000, -0.0010021200000000 ] - [ 0.0002266300000000, 0.0002378800000000, -0.0013425300000000 ] - [ 0.0011595800000000, 0.0007481200000000, 0.0004366200000000 ] - [ 0.0000432900000000, -0.0001456800000000, -0.0009950700000000 ] - [ -0.0002709700000000, -0.0004066800000000, 0.0001141600000000 ] - [ 0.0012897800000000, 0.0006435200000000, 0.0010317300000000 ] - [ 0.0033356600000000, -0.0000332900000000, 0.0004852400000000 ] - [ 0.0005051300000000, -0.0004544800000000, 0.0004597700000000 ] - [ 0.0001055600000000, 0.0005974000000000, 0.0002021300000000 ] - [ 0.0010960500000000, -0.0001822700000000, -0.0001475800000000 ] - [ -0.0032587100000000, 0.0005113300000000, 0.0006845800000000 ] - [ 0.0002303400000000, -0.0003589300000000, 0.0001257600000000 ] - [ -0.0001741600000000, 0.0007007600000000, 0.0000472200000000 ] - [ 0.0005669900000000, -0.0005444000000000, -0.0006991600000000 ] - [ -0.0015400700000000, 0.0014382600000000, -0.0066835900000000 ] - [ 0.0000452500000000, -0.0004914300000000, -0.0008006900000000 ] - [ -0.0016459700000000, -0.0016298400000000, -0.0003203000000000 ] - [ 0.0002666400000000, -0.0008117300000000, 0.0002817700000000 ] - [ 0.0002927300000000, 0.0028349700000000, 0.0005385800000000 ] - [ 0.0005901400000000, -0.0021988700000000, -0.0005537600000000 ] - [ 0.0003380100000000, -0.0013062000000000, 0.0005143300000000 ] - [ 0.0006156200000000, -0.0025678300000000, 0.0138925800000000 ] - [ -0.0034035100000000, -0.0004399800000000, -0.0053473700000000 ] - [ -0.0001963700000000, -0.0004017100000000, -0.0003307400000000 ] - [ 0.0006267400000000, -0.0005745800000000, -0.0001275800000000 ] - [ -0.0019352300000000, 0.0029411600000000, 0.0005125800000000 ] - [ 0.0385257000000000, -0.0035055100000000, -0.0379185100000000 ] - [ 0.0001108300000000, -0.0009839100000000, 0.0008551000000000 ] - [ -0.0008236400000000, 0.0005771300000000, 0.0003553300000000 ] - [ 0.0027900500000000, -0.0022297100000000, 0.0002676500000000 ] - [ -0.0104993900000000, -0.0060118400000000, -0.0044102800000000 ] - [ 0.0000025600000000, -0.0003002400000000, 0.0003178800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0068598700000000, -0.0009725400000000, -0.0006156000000000 ] - [ 0.0004604900000000, -0.0012868100000000, 0.0005171800000000 ] - [ 0.0007497800000000, -0.0015146800000000, 0.0000926700000000 ] - [ 0.0030431200000000, 0.0001268400000000, -0.0013790600000000 ] - [ -0.0025972100000000, -0.0000334200000000, 0.0004749100000000 ] - [ 0.0002464900000000, -0.0003512100000000, 0.0003504400000000 ] - [ -0.0008930600000000, -0.0014178300000000, 0.0004464200000000 ] - [ -0.0019779400000000, 0.0024993200000000, 0.0000624600000000 ] - [ -0.0028513200000000, 0.0014770800000000, 0.0000433600000000 ] - [ -0.0010090700000000, -0.0004971900000000, -0.0002575700000000 ] - [ -0.0007810400000000, -0.0007539500000000, -0.0002623700000000 ] - [ -0.0030737600000000, -0.0005542800000000, -0.0008659600000000 ] - [ -0.0000495600000000, 0.0130176400000000, -0.0074778800000000 ] - [ 0.0004480200000000, -0.0017747600000000, -0.0005300200000000 ] - [ 0.0014004400000000, -0.0001761000000000, -0.0001930100000000 ] - [ -0.0022926100000000, -0.0054194200000000, 0.0107028900000000 ] - [ 0.0077172400000000, 0.0049807500000000, -0.0051118300000000 ] - [ 0.0004578700000000, -0.0010132700000000, 0.0000610500000000 ] - [ 0.0004315600000000, -0.0014776900000000, -0.0000659900000000 ] - [ 0.1964082500000000, 0.1080666000000000, 0.0945773200000000 ] - [ 0.0052639500000000, -0.0027597500000000, 0.0091523200000000 ] - [ 0.0007607400000000, -0.0010971200000000, 0.0003048000000000 ] - [ 0.0010426300000000, -0.0052865900000000, 0.0001022200000000 ] - [ 0.0038318700000000, 0.0004450200000000, -0.0003245800000000 ] - [ -0.0070214700000000, 0.0035936300000000, -0.0042814200000000 ] - [ -0.0001824100000000, -0.0006797400000000, 0.0003335100000000 ] - [ -0.0006057900000000, -0.0012576400000000, 0.0004181300000000 ] - [ -0.0020031600000000, 0.0027799500000000, 0.0035431800000000 ] - [ -0.0016263500000000, -0.0005490800000000, -0.0002240700000000 ] - [ -0.0009943500000000, -0.0002937100000000, 0.0003322100000000 ] - [ -0.0013169100000000, -0.0001343900000000, 0.0000857800000000 ] - [ -0.0008672500000000, 0.0003344700000000, -0.0003558100000000 ] - [ -0.0036345900000000, 0.0007363900000000, -0.0020883700000000 ] - [ -0.0002607900000000, -0.0003542400000000, -0.0003187500000000 ] - [ -0.0002468800000000, -0.0011068100000000, -0.0002635900000000 ] - [ -0.0047549600000000, 0.0010369900000000, -0.0000261600000000 ] - [ 0.0024081800000000, 0.0009213900000000, 0.0026439600000000 ] - [ -0.0000801100000000, -0.0040424800000000, -0.0005784700000000 ] - [ 0.0006708600000000, 0.0022621000000000, -0.0004596900000000 ] - [ 0.0002973900000000, -0.0011108300000000, 0.0004477200000000 ] - [ -0.0018731000000000, 0.0015526600000000, -0.0006414400000000 ] - [ -0.0029649200000000, 0.0010551500000000, -0.0011917700000000 ] - [ -0.0050257700000000, -0.0017120600000000, -0.0020826000000000 ] - [ -0.0003949900000000, 0.0000948600000000, -0.0003704000000000 ] - [ -0.0008611400000000, 0.0004610300000000, 0.0000923100000000 ] - [ -0.0131941400000000, -0.0032873700000000, -0.0027396200000000 ] - [ -0.0054296500000000, -0.0036127700000000, 0.0059568300000000 ] - [ -0.0004278700000000, 0.0006311500000000, -0.0006024900000000 ] - [ -0.2299580000000000, -0.1522695500000000, -0.1326376700000000 ] - [ -0.0001488300000000, 0.0000237700000000, 0.0000708300000000 ] - [ -0.0006399800000000, 0.0012369900000000, -0.0004526900000000 ] - [ -0.0012880900000000, -0.0006161100000000, 0.0011002300000000 ] - [ 0.0003153900000000, 0.0084778400000000, 0.0033880200000000 ] - [ -0.0007138900000000, 0.0006336800000000, 0.0003290600000000 ] - [ -0.0010769300000000, 0.0013677100000000, -0.0016085800000000 ] - [ -0.0004704200000000, 0.0001313200000000, 0.0001076000000000 ] - [ -0.0002340100000000, 0.0057386000000000, -0.0052121800000000 ] - [ -0.0001572300000000, 0.0003214400000000, 0.0007678500000000 ] - [ -0.0001005000000000, 0.0015392800000000, 0.0023819300000000 ] - [ -0.0007690300000000, -0.0000828500000000, 0.0011729600000000 ] - [ 0.0002306900000000, 0.0001279600000000, -0.0016946100000000 ] - [ -0.0002732500000000, 0.0002752100000000, -0.0001032500000000 ] - [ 0.0010649200000000, 0.0014987500000000, -0.0007515400000000 ] - [ -0.0012759100000000, -0.0009572600000000, 0.0005674300000000 ] - [ 0.0060442800000000, -0.0009765400000000, 0.0040810800000000 ] - [ -0.0004036400000000, 0.0003622900000000, -0.0004108100000000 ] - [ 0.0002051400000000, 0.0003437600000000, -0.0001301500000000 ] - [ -0.0013593200000000, -0.0010801100000000, -0.0011850800000000 ] - [ 0.0001120200000000, 0.0004107200000000, 0.0006659400000000 ] - [ 0.0013616100000000, -0.0010418400000000, -0.0001486800000000 ] - [ 0.0009930800000000, -0.0003019100000000, 0.0028473100000000 ] - [ 0.0000191900000000, 0.0001320300000000, 0.0010131200000000 ] - [ 0.0009784300000000, -0.0016411800000000, -0.0004759100000000 ] - [ 0.0002295700000000, 0.0002843100000000, 0.0000025400000000 ] - [ 0.0001587300000000, 0.0011721000000000, 0.0003492800000000 ] - [ 0.0015050000000000, -0.0017325300000000, 0.0004181000000000 ] - [ 0.0008503400000000, 0.0009545900000000, -0.0003870000000000 ] - [ 0.0003775700000000, 0.0006030400000000, -0.0001467500000000 ] - [ 0.0006819700000000, -0.0004248000000000, -0.0001916400000000 ] - [ 0.0006810600000000, -0.0009775900000000, -0.0004475000000000 ] - [ 0.0012278100000000, 0.0002497900000000, 0.0000227200000000 ] - [ 0.0006625100000000, -0.0000473800000000, -0.0002940000000000 ] - [ 0.0008141900000000, 0.0002428200000000, -0.0002700400000000 ] - [ 0.0009055600000000, -0.0002579400000000, 0.0001076000000000 ] - [ 0.0034163300000000, 0.0003443100000000, -0.0002921400000000 ] - [ 0.0004751400000000, 0.0003979800000000, -0.0004227100000000 ] - [ 0.0003588500000000, 0.0000553000000000, -0.0004097800000000 ] - [ 0.0021584400000000, -0.0011151800000000, -0.0011564900000000 ] - [ 0.0022167100000000, -0.0006046400000000, 0.0002336400000000 ] - [ -0.0000435200000000, 0.0002193300000000, 0.0003482600000000 ] - [ 0.0003398700000000, 0.0002509600000000, 0.0002720600000000 ] - [ 0.0023464300000000, 0.0002303000000000, -0.0000542000000000 ] - [ -0.0000417500000000, 0.0004726200000000, 0.0005969100000000 ] - [ 0.0000302400000000, 0.0003856700000000, 0.0006765700000000 ] - [ 0.0001861300000000, -0.0004697800000000, 0.0006773300000000 ] - [ -0.0001853300000000, -0.0001692400000000, 0.0003566200000000 ] - [ 0.0003689700000000, 0.0002193200000000, -0.0001014700000000 ] - [ 0.0001067600000000, 0.0004673900000000, 0.0001016000000000 ] - [ 0.0003635300000000, -0.0001260300000000, -0.0001092900000000 ] - [ 0.0003615000000000, -0.0001642900000000, -0.0001131700000000 ] - [ 0.0009676300000000, -0.0017163000000000, -0.0007384300000000 ] - [ -0.0000573400000000, 0.0002153200000000, -0.0000439900000000 ] - [ -0.0000152600000000, 0.0008909600000000, -0.0002922200000000 ] - [ 0.0006823800000000, 0.0000864900000000, 0.0001798000000000 ] - [ 0.0007054400000000, -0.0004608200000000, -0.0000360000000000 ] - [ 0.0000854000000000, 0.0000905100000000, -0.0010228500000000 ] - [ 0.0000971800000000, 0.0002794300000000, -0.0008648100000000 ] - [ 0.0014549000000000, 0.0001205700000000, -0.0010255000000000 ] - [ 0.0025714300000000, 0.0001044300000000, 0.0018021900000000 ] - [ 0.0004730200000000, 0.0003625200000000, 0.0004385700000000 ] - [ 0.0000714700000000, 0.0001306500000000, 0.0002295000000000 ] - [ 0.0029955000000000, -0.0007573600000000, 0.0005606900000000 ] - [ -0.0005369000000000, -0.0004244600000000, -0.0000407400000000 ] - [ 0.0006836500000000, 0.0009808700000000, -0.0000890500000000 ] - [ -0.0000303900000000, -0.0002990800000000, 0.0002361000000000 ] - [ 0.0003778600000000, 0.0003514500000000, 0.0002752700000000 ] - [ -0.0003003600000000, -0.0016788200000000, -0.0033489500000000 ] - [ 0.0000108500000000, 0.0009223300000000, -0.0003333600000000 ] - [ -0.0001530700000000, -0.0005478400000000, -0.0004861000000000 ] - [ 0.0001797100000000, 0.0007706500000000, -0.0026991900000000 ] - [ 0.0000775200000000, -0.0021102500000000, 0.0007871200000000 ] - [ -0.0000157100000000, 0.0015625300000000, -0.0006124000000000 ] - [ -0.0003173200000000, -0.0011056500000000, -0.0007318800000000 ] - [ 0.0004104100000000, 0.0027017900000000, 0.0002189100000000 ] - [ 0.0244608600000000, 0.0021300100000000, 0.0337717200000000 ] - [ -0.0001732800000000, 0.0001684600000000, -0.0001560200000000 ] - [ 0.0001426500000000, 0.0009044800000000, 0.0002432000000000 ] - [ -0.0023105500000000, -0.0021025900000000, -0.0015747900000000 ] - [ -0.0020164000000000, 0.0001110600000000, 0.0038881200000000 ] - [ 0.0001337300000000, 0.0007497600000000, 0.0007046100000000 ] - [ 0.0004173100000000, 0.0001957600000000, 0.0001744100000000 ] - [ 0.0181767200000000, 0.0317606600000000, 0.0000929800000000 ] - [ -0.0036616400000000, -0.0008025200000000, -0.0012653400000000 ] - [ -0.0006646200000000, 0.0008108200000000, 0.0002303000000000 ] - [ -0.0007880100000000, -0.0003533200000000, 0.0002521400000000 ] - [ -0.0003496700000000, 0.0002977900000000, 0.0003936000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0073067600000000, 0.0005599600000000, 0.0013824700000000 ] - [ -0.0009014200000000, 0.0007799300000000, 0.0001646800000000 ] - [ -0.0011877800000000, 0.0020166400000000, 0.0005845400000000 ] - [ -0.0034427500000000, 0.0003368700000000, 0.0019893000000000 ] - [ 0.0030357900000000, 0.0005349800000000, 0.0002062300000000 ] - [ 0.0001946500000000, 0.0008565100000000, 0.0003298500000000 ] - [ 0.0013289400000000, 0.0009110400000000, 0.0002354300000000 ] - [ 0.0024155100000000, -0.0029975400000000, 0.0006151400000000 ] - [ 0.0024056300000000, -0.0009782100000000, -0.0007209400000000 ] - [ 0.0005730900000000, 0.0010020000000000, -0.0004228900000000 ] - [ 0.0003434000000000, 0.0002472700000000, -0.0004177000000000 ] - [ 0.0026360600000000, 0.0000549400000000, 0.0001874000000000 ] - [ 0.0004906100000000, -0.0135990300000000, 0.0068267300000000 ] - [ -0.0000138400000000, 0.0012674000000000, -0.0001488400000000 ] - [ -0.0009619700000000, 0.0006879300000000, -0.0004812900000000 ] - [ 0.0027406100000000, 0.0059404500000000, -0.0114355200000000 ] - [ -0.0077538500000000, -0.0044978700000000, 0.0051414900000000 ] - [ -0.0004577300000000, 0.0014898500000000, -0.0000604300000000 ] - [ -0.0004322500000000, 0.0009982900000000, 0.0000642500000000 ] - [ -0.2017612100000000, -0.1152427700000000, -0.1004289700000000 ] - [ -0.0050007200000000, 0.0020941900000000, -0.0085300400000000 ] - [ -0.0005135000000000, 0.0004105100000000, 0.0003142400000000 ] - [ -0.0007880800000000, 0.0059529300000000, 0.0005165100000000 ] - [ -0.0035904500000000, 0.0002260600000000, 0.0009250500000000 ] - [ 0.0067756100000000, -0.0029268200000000, 0.0048981700000000 ] - [ -0.0000640200000000, 0.0013479900000000, 0.0002811900000000 ] - [ 0.0003579700000000, 0.0005858300000000, 0.0001989100000000 ] - [ 0.0017648000000000, -0.0034347200000000, -0.0029066600000000 ] - [ 0.0016225300000000, 0.0000687700000000, 0.0002235100000000 ] - [ 0.0009961300000000, -0.0001821200000000, -0.0003314900000000 ] - [ 0.0013138300000000, 0.0006115700000000, -0.0000850400000000 ] - [ 0.0008686000000000, 0.0001464500000000, 0.0003549200000000 ] - [ 0.0038900300000000, -0.0000630700000000, 0.0014834700000000 ] - [ 0.0005078900000000, 0.0010231000000000, -0.0002981600000000 ] - [ 0.0004926600000000, 0.0004384700000000, -0.0003529100000000 ] - [ 0.0050060800000000, -0.0017101900000000, -0.0005904100000000 ] - [ -0.0027275000000000, -0.0015669100000000, -0.0032898800000000 ] - [ -0.0001690800000000, 0.0033837500000000, -0.0000330400000000 ] - [ -0.0009170100000000, -0.0015998800000000, -0.0001539500000000 ] - [ -0.0005710900000000, 0.0017754600000000, -0.0010734500000000 ] - [ 0.0015033800000000, -0.0013602900000000, -0.0001029300000000 ] - [ 0.0026139300000000, -0.0008670500000000, 0.0004533200000000 ] - [ 0.0046659500000000, 0.0015168500000000, 0.0013460000000000 ] - [ 0.0000369400000000, -0.0002802000000000, -0.0003717300000000 ] - [ -0.0000413900000000, -0.0008396900000000, -0.0007962900000000 ] - [ 0.0124177300000000, 0.0031445200000000, 0.0022673400000000 ] - [ 0.0045290000000000, 0.0039883400000000, -0.0066938400000000 ] - [ -0.0004736000000000, -0.0002483800000000, -0.0001024000000000 ] - [ 0.2357848700000000, 0.1584714500000000, 0.1388556700000000 ] - [ -0.0002046300000000, -0.0009894200000000, -0.0002941000000000 ] - [ 0.0002861100000000, -0.0002670200000000, 0.0002288400000000 ] - [ 0.0009497400000000, 0.0015761800000000, -0.0013144200000000 ] - [ -0.0005754900000000, -0.0077136300000000, -0.0030308000000000 ] - [ 0.0004463700000000, 0.0001076300000000, 0.0000159700000000 ] - [ 0.0008048500000000, -0.0021068700000000, 0.0019481500000000 ] - [ 0.0002004500000000, -0.0008520900000000, 0.0002314300000000 ] - [ 0.0002237000000000, -0.0055011500000000, 0.0070314800000000 ] - [ 0.0001514100000000, -0.0000966900000000, 0.0010624500000000 ] - [ 0.0000924900000000, -0.0017501100000000, -0.0005405000000000 ] - [ 0.0007663500000000, -0.0001273300000000, 0.0006808200000000 ] - [ 0.0000440100000000, -0.0002205900000000, 0.0011170700000000 ] - [ 0.0005463100000000, -0.0003584400000000, -0.0004744600000000 ] - [ -0.0007859400000000, -0.0014050500000000, 0.0001711700000000 ] - [ 0.0015511300000000, 0.0010475900000000, -0.0011407100000000 ] - [ -0.0063200600000000, 0.0010725100000000, -0.0046519600000000 ] - [ 0.0001186500000000, -0.0002689500000000, -0.0001694400000000 ] - [ -0.0004877400000000, -0.0004334700000000, -0.0004495600000000 ] - [ 0.0010624900000000, 0.0009856100000000, 0.0006006300000000 ] - [ -0.0001088900000000, -0.0001912900000000, 0.0011678600000000 ] - [ -0.0013566600000000, 0.0012582700000000, 0.0019734900000000 ] - [ -0.0009910500000000, 0.0000792900000000, -0.0010148800000000 ] - [ -0.0000184900000000, -0.0003476300000000, 0.0008228100000000 ] - [ -0.0007127800000000, 0.0008950300000000, 0.0008139900000000 ] - [ 0.0000369500000000, -0.0010190200000000, 0.0003389000000000 ] - [ 0.0001077600000000, -0.0004348200000000, -0.0000080600000000 ] - [ -0.0012400800000000, 0.0024748500000000, -0.0000752900000000 ] - [ -0.0005016800000000, 0.0000087600000000, 0.0001624700000000 ] - [ -0.0000313600000000, 0.0003665600000000, -0.0000765500000000 ] - [ -0.0003309300000000, -0.0005453300000000, -0.0000325100000000 ] - [ -0.0003348700000000, 0.0000127300000000, 0.0002229200000000 ] - [ -0.0003288800000000, -0.0006338000000000, -0.0007259500000000 ] - [ 0.0002321200000000, -0.0003338200000000, -0.0004137100000000 ] - [ 0.0000851000000000, 0.0001376900000000, -0.0004367300000000 ] - [ -0.0000098300000000, 0.0006401900000000, -0.0008102800000000 ] - [ -0.0030586500000000, -0.0001584400000000, -0.0004488500000000 ] - [ -0.0001136300000000, -0.0002085200000000, -0.0003193800000000 ] - [ 0.0000032900000000, -0.0002432500000000, -0.0003325300000000 ] - [ -0.0018057100000000, 0.0009271500000000, 0.0004116800000000 ] - [ -0.0025831400000000, 0.0007908000000000, 0.0005067500000000 ] - [ -0.0003161700000000, -0.0000292000000000, 0.0003946500000000 ] - [ -0.0006969500000000, -0.0004397300000000, 0.0004696300000000 ] - [ -0.0027134200000000, -0.0004170700000000, 0.0007965800000000 ] - [ -0.0008535100000000, -0.0000915900000000, 0.0001088900000000 ] - [ -0.0009326400000000, -0.0000042400000000, 0.0000278900000000 ] - [ -0.0010848200000000, 0.0000872700000000, 0.0000283100000000 ] - [ -0.0007130200000000, -0.0002120600000000, 0.0003486400000000 ] - [ -0.0007166800000000, 0.0007437500000000, 0.0003232500000000 ] - [ -0.0004572500000000, 0.0005021100000000, 0.0001237800000000 ] - [ -0.0007105000000000, -0.0008408100000000, 0.0003336200000000 ] - [ -0.0007121800000000, -0.0008014100000000, 0.0003364100000000 ] - [ -0.0012375400000000, 0.0009842500000000, 0.0003980100000000 ] - [ -0.0002066300000000, -0.0009509500000000, -0.0002966500000000 ] - [ -0.0002481800000000, -0.0001520700000000, -0.0000496100000000 ] - [ -0.0009542500000000, 0.0006508200000000, -0.0005230500000000 ] - [ -0.0007108100000000, 0.0002427900000000, -0.0018031500000000 ] - [ -0.0000857800000000, -0.0003100900000000, -0.0008126700000000 ] - [ -0.0000963800000000, -0.0000614700000000, -0.0009706100000000 ] - [ -0.0014606100000000, 0.0000989400000000, -0.0008113000000000 ] - [ -0.0023053300000000, -0.0000169400000000, -0.0012331900000000 ] - [ -0.0001889100000000, -0.0002729700000000, 0.0001418700000000 ] - [ 0.0002137300000000, -0.0002225200000000, 0.0003510600000000 ] - [ -0.0027188600000000, 0.0006700500000000, 0.0000174300000000 ] - [ 0.0002748700000000, 0.0003367600000000, 0.0006168100000000 ] - [ -0.0009608200000000, -0.0010763600000000, 0.0006666000000000 ] - [ -0.0002484100000000, 0.0003927900000000, 0.0003439400000000 ] - [ -0.0006476600000000, -0.0002632200000000, 0.0003027200000000 ] - [ 0.0003120800000000, 0.0019037300000000, 0.0015391900000000 ] - [ -0.0000048000000000, -0.0007089000000000, -0.0015031400000000 ] - [ 0.0001560400000000, 0.0003333700000000, -0.0013544000000000 ] - [ -0.0001707100000000, -0.0009956300000000, 0.0008819000000000 ] - [ 0.0001886400000000, 0.0028594500000000, -0.0011362900000000 ] - [ 0.0002896700000000, -0.0008213700000000, 0.0002719200000000 ] - [ 0.0005949200000000, 0.0003511200000000, 0.0003914100000000 ] - [ -0.0001413300000000, -0.0034528200000000, -0.0005635200000000 ] - [ -0.0247279300000000, -0.0031174900000000, -0.0344407400000000 ] - [ 0.0005226200000000, -0.0011344700000000, 0.0003795200000000 ] - [ 0.0002046400000000, 0.0000635900000000, -0.0000205500000000 ] - [ 0.0026730000000000, 0.0030786900000000, 0.0018001900000000 ] - [ 0.0029326900000000, 0.0002611500000000, -0.0032054400000000 ] - [ 0.0007641700000000, -0.0003670400000000, 0.0000018900000000 ] - [ 0.0004800200000000, -0.0005743400000000, 0.0005297400000000 ] - [ -0.0176127700000000, -0.0328966300000000, 0.0006606000000000 ] - [ 0.0040693900000000, 0.0005748700000000, 0.0020079700000000 ] - [ 0.0010296400000000, -0.0010035800000000, 0.0005123700000000 ] - [ 0.0011509100000000, 0.0005469500000000, 0.0004917900000000 ] - [ 0.0007328100000000, -0.0000971900000000, 0.0003605200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0078612400000000, 0.0262154300000000, 0.0133064200000000 ] - [ 0.0002022700000000, -0.0037131600000000, 0.0006274200000000 ] - [ 0.0004862600000000, -0.0035583200000000, -0.0000895400000000 ] - [ 0.0063277800000000, -0.0050493000000000, -0.0117551400000000 ] - [ -0.0024688700000000, 0.0028297000000000, -0.0001577200000000 ] - [ 0.0008312100000000, -0.0019124400000000, 0.0002652000000000 ] - [ -0.0015212400000000, -0.0025678400000000, 0.0004537600000000 ] - [ 0.0010410200000000, 0.0021295300000000, 0.0015802000000000 ] - [ -0.0004185900000000, 0.0031181800000000, -0.0001956000000000 ] - [ -0.0010580000000000, -0.0018790900000000, -0.0002726900000000 ] - [ -0.0001688600000000, -0.0018588800000000, -0.0001546900000000 ] - [ -0.0020295800000000, 0.0006917300000000, -0.0011736600000000 ] - [ 0.0023106100000000, 0.0070594000000000, -0.0000149100000000 ] - [ 0.0000218900000000, -0.0037534800000000, -0.0005885700000000 ] - [ 0.0016301600000000, -0.0032272200000000, -0.0007360700000000 ] - [ -0.0046691300000000, -0.0053837900000000, 0.0128413600000000 ] - [ 0.0051136000000000, 0.0132412400000000, -0.0063746000000000 ] - [ 0.0002623400000000, -0.0032199500000000, -0.0000031500000000 ] - [ 0.0001890500000000, -0.0037839800000000, 0.0000960700000000 ] - [ 0.0964793700000000, 0.1646208500000000, 0.0747323000000000 ] - [ 0.0013452700000000, -0.0038684900000000, 0.0128472200000000 ] - [ 0.0007395500000000, -0.0049722700000000, 0.0005274700000000 ] - [ 0.0000089200000000, -0.0088077300000000, -0.0002823800000000 ] - [ 0.0031997400000000, -0.0019903800000000, -0.0003813500000000 ] - [ -0.0068030200000000, 0.0071147900000000, -0.0045936500000000 ] - [ 0.0000678100000000, -0.0022314400000000, 0.0002795900000000 ] - [ -0.0008674300000000, -0.0027890300000000, 0.0004312200000000 ] - [ 0.0028401000000000, 0.0049477500000000, 0.0014233400000000 ] - [ -0.0010784500000000, -0.0003034000000000, 0.0001964500000000 ] - [ -0.0002667800000000, -0.0013464700000000, 0.0001185700000000 ] - [ -0.0009356000000000, -0.0001875800000000, -0.0001952600000000 ] - [ -0.0002725400000000, -0.0003615800000000, -0.0001906200000000 ] - [ -0.0008419100000000, 0.0033369500000000, -0.0009544600000000 ] - [ -0.0002393900000000, -0.0017682500000000, -0.0003413600000000 ] - [ 0.0002840100000000, -0.0026557500000000, -0.0000816100000000 ] - [ -0.0044482000000000, 0.0039459100000000, -0.0007807000000000 ] - [ 0.0125743300000000, -0.0035491200000000, 0.0033136100000000 ] - [ -0.0005682800000000, -0.0053268200000000, -0.0005398900000000 ] - [ 0.0009921600000000, 0.0002797900000000, -0.0006970200000000 ] - [ -0.0032723600000000, -0.0023505000000000, 0.0001399700000000 ] - [ -0.0021438000000000, 0.0025307200000000, -0.0005947000000000 ] - [ -0.0024893100000000, 0.0015568400000000, -0.0014320400000000 ] - [ -0.0030666200000000, -0.0005744800000000, -0.0032061000000000 ] - [ 0.0003674500000000, 0.0011054700000000, -0.0002583000000000 ] - [ -0.0010817500000000, 0.0012974600000000, 0.0005179800000000 ] - [ 0.0091947700000000, 0.0254657700000000, 0.0409892600000000 ] - [ -0.0053981000000000, -0.0074409500000000, 0.0093318700000000 ] - [ -0.0000101400000000, 0.0016031600000000, -0.0011743500000000 ] - [ -0.1525833600000000, -0.2339082800000000, -0.1389721100000000 ] - [ 0.0003514000000000, 0.0011429900000000, 0.0005238900000000 ] - [ -0.0009143100000000, 0.0022018100000000, -0.0008013100000000 ] - [ 0.0009390800000000, -0.0046405500000000, 0.0042438000000000 ] - [ 0.0009579500000000, 0.0130984900000000, 0.0052407800000000 ] - [ -0.0004999200000000, 0.0024885200000000, 0.0008845500000000 ] - [ -0.0006588200000000, 0.0026136700000000, -0.0023195600000000 ] - [ -0.0007517600000000, 0.0031577300000000, -0.0004051600000000 ] - [ 0.0022920500000000, 0.0076370600000000, -0.0077587400000000 ] - [ -0.0001396900000000, 0.0012559500000000, 0.0001855200000000 ] - [ 0.0001071000000000, 0.0024664700000000, 0.0033114400000000 ] - [ -0.0008470800000000, 0.0008212300000000, 0.0029033800000000 ] - [ 0.0023488800000000, -0.0009869400000000, -0.0030007700000000 ] - [ -0.0010698400000000, 0.0013492200000000, 0.0002662000000000 ] - [ 0.0021058300000000, 0.0025019100000000, -0.0011821700000000 ] - [ -0.0016821000000000, -0.0001544800000000, 0.0001519600000000 ] - [ 0.0084038900000000, -0.0038900900000000, 0.0042147100000000 ] - [ -0.0008210400000000, 0.0009274400000000, -0.0006234900000000 ] - [ 0.0007065300000000, 0.0008879000000000, 0.0000809700000000 ] - [ -0.0038977400000000, -0.0018160900000000, -0.0011645600000000 ] - [ 0.0001654500000000, 0.0008100500000000, 0.0004719800000000 ] - [ -0.0008105300000000, -0.0008961600000000, 0.0006797800000000 ] - [ 0.0009607000000000, -0.0010616100000000, 0.0027025500000000 ] - [ -0.0000234700000000, 0.0005676600000000, 0.0013086800000000 ] - [ -0.0001261800000000, -0.0040078400000000, 0.0006954700000000 ] - [ 0.0003019900000000, 0.0014828100000000, -0.0002722100000000 ] - [ 0.0001105500000000, 0.0022825900000000, 0.0006177600000000 ] - [ 0.0012187500000000, -0.0041524100000000, -0.0001814900000000 ] - [ 0.0006343200000000, 0.0005802800000000, -0.0001076800000000 ] - [ 0.0002754800000000, 0.0009732400000000, -0.0002668700000000 ] - [ 0.0006564400000000, -0.0003374600000000, -0.0002059400000000 ] - [ 0.0000948900000000, -0.0003308900000000, -0.0001565200000000 ] - [ 0.0009707900000000, -0.0002471800000000, -0.0003734900000000 ] - [ 0.0005972700000000, 0.0003269500000000, -0.0000959200000000 ] - [ 0.0007980300000000, 0.0003566000000000, -0.0002555500000000 ] - [ 0.0003989900000000, 0.0001773200000000, -0.0003425000000000 ] - [ 0.0025857700000000, -0.0005380800000000, -0.0000613100000000 ] - [ 0.0006596900000000, 0.0008142100000000, -0.0004604100000000 ] - [ 0.0002178900000000, 0.0004262300000000, -0.0004007100000000 ] - [ -0.0000523100000000, -0.0009464200000000, -0.0004541000000000 ] - [ 0.0010851000000000, -0.0009265900000000, 0.0003189100000000 ] - [ -0.0004378900000000, 0.0006737500000000, 0.0004314700000000 ] - [ 0.0003364100000000, 0.0005885000000000, 0.0002548400000000 ] - [ 0.0012227700000000, -0.0005582500000000, 0.0001765600000000 ] - [ -0.0001307700000000, 0.0005998700000000, 0.0006816900000000 ] - [ -0.0001077900000000, 0.0004406800000000, 0.0006345800000000 ] - [ -0.0001890800000000, -0.0005248900000000, 0.0005296500000000 ] - [ -0.0004776700000000, 0.0003044800000000, 0.0000858900000000 ] - [ 0.0001117600000000, 0.0002671700000000, 0.0000220900000000 ] - [ -0.0001429100000000, 0.0009375200000000, 0.0002939800000000 ] - [ 0.0001641000000000, -0.0000599800000000, -0.0002053100000000 ] - [ 0.0002004200000000, -0.0000563000000000, -0.0000624400000000 ] - [ 0.0007190300000000, -0.0036256000000000, -0.0009965700000000 ] - [ -0.0001968300000000, 0.0013938100000000, 0.0001959900000000 ] - [ -0.0000138000000000, 0.0019035500000000, -0.0005279500000000 ] - [ 0.0000405500000000, -0.0018057000000000, 0.0004691100000000 ] - [ 0.0002524500000000, -0.0009977000000000, -0.0001894900000000 ] - [ 0.0000636800000000, 0.0004708200000000, -0.0012256500000000 ] - [ -0.0000128000000000, 0.0006546500000000, -0.0007909700000000 ] - [ 0.0011917300000000, -0.0005576400000000, -0.0009637800000000 ] - [ -0.0000224100000000, -0.0008626500000000, 0.0003232600000000 ] - [ 0.0008001400000000, 0.0008429700000000, 0.0006136500000000 ] - [ -0.0006186600000000, 0.0008150700000000, -0.0000442700000000 ] - [ 0.0040694500000000, -0.0015513900000000, 0.0007987000000000 ] - [ -0.0039147000000000, -0.0010422800000000, 0.0011721300000000 ] - [ 0.0011125200000000, 0.0014340600000000, -0.0002858700000000 ] - [ -0.0007239900000000, 0.0003580800000000, 0.0005517600000000 ] - [ 0.0014945800000000, 0.0000306300000000, -0.0000554400000000 ] - [ -0.0018209900000000, -0.0007665300000000, -0.0040366600000000 ] - [ 0.0001029800000000, 0.0013115900000000, -0.0001828400000000 ] - [ -0.0002585900000000, 0.0000140700000000, -0.0006291900000000 ] - [ 0.0009071500000000, 0.0007811200000000, -0.0024619700000000 ] - [ -0.0001815100000000, -0.0003473300000000, 0.0000999100000000 ] - [ 0.0004927600000000, 0.0026692800000000, -0.0008661600000000 ] - [ -0.0018075000000000, 0.0024646700000000, -0.0002386200000000 ] - [ 0.0006636200000000, 0.0034634300000000, 0.0003283700000000 ] - [ -0.0022605100000000, -0.0178608400000000, -0.0007844400000000 ] - [ -0.0004973100000000, 0.0011937200000000, -0.0006062300000000 ] - [ 0.0005772200000000, 0.0020482800000000, 0.0007696300000000 ] - [ -0.0024401400000000, -0.0045449800000000, -0.0023277100000000 ] - [ -0.0003346100000000, -0.0023674700000000, 0.0013032300000000 ] - [ -0.0001415200000000, 0.0016554900000000, 0.0012394400000000 ] - [ 0.0008295500000000, 0.0012196800000000, -0.0004673400000000 ] - [ 0.0380230800000000, 0.0235446300000000, -0.0015030100000000 ] - [ -0.0115236000000000, 0.0069851600000000, 0.0004115600000000 ] - [ -0.0005867900000000, 0.0012152100000000, 0.0002222400000000 ] - [ -0.0004452500000000, 0.0002324900000000, 0.0003562900000000 ] - [ 0.0025920900000000, 0.0018489100000000, 0.0017470300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0077296900000000, -0.0254974000000000, -0.0115196500000000 ] - [ -0.0006398100000000, 0.0031919800000000, 0.0000532900000000 ] - [ -0.0009155000000000, 0.0040426600000000, 0.0007630400000000 ] - [ -0.0067526800000000, 0.0055400100000000, 0.0124174300000000 ] - [ 0.0028870100000000, -0.0023077500000000, 0.0008294100000000 ] - [ -0.0003923400000000, 0.0024030700000000, 0.0004152800000000 ] - [ 0.0019419400000000, 0.0020521500000000, 0.0002303500000000 ] - [ -0.0005938200000000, -0.0026241200000000, -0.0008840300000000 ] - [ -0.0000315100000000, -0.0025955900000000, -0.0004869100000000 ] - [ 0.0006183000000000, 0.0023668400000000, -0.0004075200000000 ] - [ -0.0002726300000000, 0.0013515600000000, -0.0005247700000000 ] - [ 0.0015799700000000, -0.0012038500000000, 0.0004892700000000 ] - [ -0.0018908800000000, -0.0073701700000000, -0.0007487800000000 ] - [ 0.0004168400000000, 0.0032336800000000, -0.0000934500000000 ] - [ -0.0011770400000000, 0.0037117800000000, 0.0000513900000000 ] - [ 0.0050853600000000, 0.0058713300000000, -0.0135074000000000 ] - [ -0.0050555900000000, -0.0127235400000000, 0.0063229600000000 ] - [ -0.0002600100000000, 0.0036855300000000, 0.0000031300000000 ] - [ -0.0001875700000000, 0.0032842500000000, -0.0000949600000000 ] - [ -0.1024045400000000, -0.1687674300000000, -0.0794564700000000 ] - [ -0.0010400800000000, 0.0032072200000000, -0.0120977900000000 ] - [ -0.0004939800000000, 0.0042868700000000, 0.0000880300000000 ] - [ 0.0002368800000000, 0.0093911700000000, 0.0008826600000000 ] - [ -0.0029442200000000, 0.0026402300000000, 0.0010047500000000 ] - [ 0.0064859600000000, -0.0063799700000000, 0.0051500000000000 ] - [ -0.0003137800000000, 0.0028841600000000, 0.0003336100000000 ] - [ 0.0006161500000000, 0.0021070800000000, 0.0001872200000000 ] - [ -0.0030699400000000, -0.0056005700000000, -0.0008223900000000 ] - [ 0.0010659000000000, -0.0001745700000000, -0.0001915400000000 ] - [ 0.0002653200000000, 0.0008537100000000, -0.0001173500000000 ] - [ 0.0009246600000000, 0.0006729400000000, 0.0001918600000000 ] - [ 0.0002700700000000, 0.0008378000000000, 0.0001880900000000 ] - [ 0.0010497000000000, -0.0026645900000000, 0.0003104100000000 ] - [ 0.0004832400000000, 0.0024273300000000, -0.0002743000000000 ] - [ -0.0000392100000000, 0.0019751200000000, -0.0005296900000000 ] - [ 0.0046779000000000, -0.0046061800000000, 0.0001824300000000 ] - [ -0.0126894200000000, 0.0028685900000000, -0.0038507800000000 ] - [ 0.0003230500000000, 0.0046372100000000, -0.0000749100000000 ] - [ -0.0012288500000000, 0.0004172400000000, 0.0000751700000000 ] - [ 0.0030269200000000, 0.0030026400000000, -0.0007599100000000 ] - [ 0.0017342600000000, -0.0023073100000000, -0.0001578700000000 ] - [ 0.0021006500000000, -0.0013490300000000, 0.0006734700000000 ] - [ 0.0026288800000000, 0.0003483800000000, 0.0024255800000000 ] - [ -0.0007487000000000, -0.0012952400000000, -0.0004907100000000 ] - [ 0.0001846400000000, -0.0016806400000000, -0.0012268500000000 ] - [ -0.0102409300000000, -0.0261988500000000, -0.0424812900000000 ] - [ 0.0044626200000000, 0.0077669800000000, -0.0099958100000000 ] - [ -0.0008828300000000, -0.0011997400000000, 0.0004588800000000 ] - [ 0.1581084000000000, 0.2356377200000000, 0.1427268900000000 ] - [ -0.0006863600000000, -0.0020921100000000, -0.0007339700000000 ] - [ 0.0005723700000000, -0.0012321500000000, 0.0005855000000000 ] - [ -0.0012793900000000, 0.0055876600000000, -0.0044420400000000 ] - [ -0.0012143800000000, -0.0122669200000000, -0.0048342500000000 ] - [ 0.0002259900000000, -0.0017611700000000, -0.0005412900000000 ] - [ 0.0003729200000000, -0.0033159800000000, 0.0026375400000000 ] - [ 0.0004756200000000, -0.0038569300000000, 0.0007478000000000 ] - [ -0.0022504900000000, -0.0073200600000000, 0.0095002000000000 ] - [ 0.0001382900000000, -0.0010314900000000, 0.0016705800000000 ] - [ -0.0001062200000000, -0.0026566300000000, -0.0014265300000000 ] - [ 0.0008463500000000, -0.0010358100000000, -0.0010496700000000 ] - [ -0.0020490200000000, 0.0008685800000000, 0.0023821000000000 ] - [ 0.0013564500000000, -0.0014443700000000, -0.0008619700000000 ] - [ -0.0017935800000000, -0.0023735600000000, 0.0005768500000000 ] - [ 0.0019673900000000, 0.0002637600000000, -0.0007518600000000 ] - [ -0.0086054500000000, 0.0039380000000000, -0.0047657100000000 ] - [ 0.0005175800000000, -0.0008164100000000, 0.0000225300000000 ] - [ -0.0010001800000000, -0.0009856900000000, -0.0006776400000000 ] - [ 0.0035964000000000, 0.0017127600000000, 0.0005715900000000 ] - [ -0.0001669500000000, -0.0005882900000000, 0.0013826900000000 ] - [ 0.0007928500000000, 0.0011134700000000, 0.0011821800000000 ] - [ -0.0009531600000000, 0.0008341700000000, -0.0008229300000000 ] - [ 0.0000176700000000, -0.0007774800000000, 0.0005539000000000 ] - [ 0.0003911000000000, 0.0032767000000000, -0.0003474300000000 ] - [ -0.0000319200000000, -0.0021819600000000, 0.0006109400000000 ] - [ 0.0001595700000000, -0.0015618100000000, -0.0002756600000000 ] - [ -0.0009418300000000, 0.0048243900000000, 0.0005203000000000 ] - [ -0.0002963500000000, 0.0003706600000000, -0.0001023300000000 ] - [ 0.0000571000000000, -0.0000081700000000, 0.0000518300000000 ] - [ -0.0003144700000000, -0.0006240000000000, -0.0000109600000000 ] - [ 0.0002350200000000, -0.0006220700000000, -0.0000577900000000 ] - [ -0.0000725900000000, -0.0001517400000000, -0.0003397200000000 ] - [ 0.0002936800000000, -0.0007139300000000, -0.0006137400000000 ] - [ 0.0001002700000000, 0.0000360600000000, -0.0004557200000000 ] - [ 0.0004901900000000, 0.0002182700000000, -0.0003688200000000 ] - [ -0.0021773800000000, 0.0007282600000000, -0.0006840100000000 ] - [ -0.0002708400000000, -0.0006125600000000, -0.0002906600000000 ] - [ 0.0001696300000000, -0.0006212200000000, -0.0003495800000000 ] - [ 0.0004288600000000, 0.0007513500000000, -0.0002914300000000 ] - [ -0.0014433100000000, 0.0011131600000000, 0.0004316200000000 ] - [ 0.0000558800000000, -0.0004746100000000, 0.0003188100000000 ] - [ -0.0007139000000000, -0.0007813400000000, 0.0004952500000000 ] - [ -0.0016014200000000, 0.0003627800000000, 0.0005693600000000 ] - [ -0.0007538400000000, -0.0002059800000000, 0.0000330000000000 ] - [ -0.0007815200000000, -0.0000406400000000, 0.0000814300000000 ] - [ -0.0006979300000000, 0.0001265600000000, 0.0001829700000000 ] - [ -0.0004135500000000, -0.0006927700000000, 0.0006229900000000 ] - [ -0.0004394900000000, 0.0006845600000000, 0.0001903900000000 ] - [ -0.0001901000000000, 0.0000267500000000, -0.0000778100000000 ] - [ -0.0004913800000000, -0.0008974900000000, 0.0004161400000000 ] - [ -0.0005290100000000, -0.0008923600000000, 0.0002724300000000 ] - [ -0.0009813500000000, 0.0029053200000000, 0.0006484400000000 ] - [ -0.0000699300000000, -0.0020938200000000, -0.0005330800000000 ] - [ -0.0002521700000000, -0.0011857700000000, 0.0001849400000000 ] - [ -0.0003026200000000, 0.0025165100000000, -0.0008043000000000 ] - [ -0.0002419000000000, 0.0007755900000000, -0.0016515900000000 ] - [ -0.0000565300000000, -0.0006856400000000, -0.0006356800000000 ] - [ 0.0000202100000000, -0.0004369800000000, -0.0010725200000000 ] - [ -0.0011772600000000, 0.0007767900000000, -0.0009062500000000 ] - [ 0.0003465900000000, 0.0009627600000000, 0.0002916300000000 ] - [ -0.0004978800000000, -0.0007365800000000, -0.0000143400000000 ] - [ 0.0009130400000000, -0.0009140700000000, 0.0006416000000000 ] - [ -0.0037680100000000, 0.0014481600000000, -0.0002004100000000 ] - [ 0.0035899600000000, 0.0009281000000000, -0.0005751300000000 ] - [ -0.0013985700000000, -0.0015324500000000, 0.0008791900000000 ] - [ 0.0004293700000000, -0.0002590200000000, 0.0000461900000000 ] - [ -0.0017844700000000, 0.0000801400000000, 0.0006576800000000 ] - [ 0.0018049300000000, 0.0009533400000000, 0.0021220300000000 ] - [ -0.0001014600000000, -0.0010908700000000, -0.0016716500000000 ] - [ 0.0002514500000000, -0.0002366300000000, -0.0012214200000000 ] - [ -0.0009065000000000, -0.0009947700000000, 0.0006047600000000 ] - [ 0.0004516500000000, 0.0010192900000000, -0.0004268500000000 ] - [ -0.0002186500000000, -0.0019435800000000, 0.0005238700000000 ] - [ 0.0020555200000000, -0.0031607800000000, -0.0001131400000000 ] - [ -0.0003867400000000, -0.0041612600000000, -0.0006699500000000 ] - [ 0.0030049300000000, 0.0169322200000000, 0.0013719100000000 ] - [ 0.0008282100000000, -0.0021397800000000, 0.0008159000000000 ] - [ -0.0002455500000000, -0.0010815000000000, -0.0005540300000000 ] - [ 0.0027610800000000, 0.0054883600000000, 0.0025353900000000 ] - [ 0.0012059900000000, 0.0027584900000000, -0.0005492800000000 ] - [ 0.0010302900000000, -0.0012525900000000, -0.0005222700000000 ] - [ 0.0000619700000000, -0.0016022600000000, 0.0011752300000000 ] - [ -0.0378566400000000, -0.0242020800000000, 0.0022506900000000 ] - [ 0.0117416100000000, -0.0070922800000000, 0.0003458900000000 ] - [ 0.0009664200000000, -0.0014065600000000, 0.0005270000000000 ] - [ 0.0008165600000000, -0.0000398500000000, 0.0003942500000000 ] - [ -0.0022077900000000, -0.0016468400000000, -0.0009916300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0053374500000000, 0.0115470700000000, 0.0138219900000000 ] - [ -0.0001670000000000, -0.0014803200000000, 0.0007541400000000 ] - [ 0.0003842900000000, -0.0009823000000000, -0.0005525600000000 ] - [ 0.0053357200000000, -0.0053739800000000, -0.0121561900000000 ] - [ -0.0007914600000000, 0.0013218300000000, -0.0008686600000000 ] - [ 0.0006435500000000, -0.0007118800000000, 0.0002097100000000 ] - [ -0.0009613900000000, -0.0013696000000000, 0.0005977200000000 ] - [ -0.0003354900000000, 0.0015247400000000, 0.0015178000000000 ] - [ -0.0010785200000000, 0.0012544700000000, -0.0003281700000000 ] - [ -0.0004430900000000, -0.0005397700000000, -0.0003632000000000 ] - [ -0.0004421900000000, -0.0007607900000000, -0.0002349600000000 ] - [ -0.0013250700000000, -0.0004637000000000, -0.0004987400000000 ] - [ -0.0017288900000000, 0.0117115500000000, -0.0075517100000000 ] - [ -0.0000555700000000, -0.0018809800000000, -0.0002637900000000 ] - [ 0.0013439400000000, -0.0012100800000000, -0.0005685500000000 ] - [ 0.0009060900000000, 0.0017580500000000, 0.0010983000000000 ] - [ 0.0068974200000000, 0.0096151400000000, -0.0142961900000000 ] - [ 0.0001964100000000, -0.0012304200000000, -0.0001548400000000 ] - [ 0.0000737700000000, -0.0016574800000000, 0.0002258200000000 ] - [ 0.0889133100000000, 0.0793904400000000, 0.1442027200000000 ] - [ 0.0044169000000000, 0.0008723000000000, 0.0061845900000000 ] - [ 0.0004249800000000, -0.0037454100000000, 0.0007996500000000 ] - [ 0.0002376100000000, -0.0069477700000000, -0.0001196000000000 ] - [ 0.0001288100000000, 0.0008026100000000, -0.0020514900000000 ] - [ -0.0062845000000000, 0.0040091900000000, -0.0044306900000000 ] - [ -0.0000718300000000, -0.0008242000000000, 0.0001961200000000 ] - [ -0.0004619500000000, -0.0013619600000000, 0.0004996400000000 ] - [ 0.0023780500000000, 0.0017860000000000, 0.0024587900000000 ] - [ -0.0006110600000000, -0.0001391600000000, 0.0004691500000000 ] - [ -0.0001894500000000, -0.0006835500000000, 0.0003292300000000 ] - [ -0.0006899600000000, 0.0000733100000000, -0.0003333400000000 ] - [ -0.0002905800000000, 0.0000439800000000, -0.0005097300000000 ] - [ -0.0021847000000000, 0.0008450700000000, -0.0026017100000000 ] - [ -0.0000361800000000, -0.0004649900000000, -0.0004174600000000 ] - [ 0.0001096500000000, -0.0012283200000000, -0.0000965800000000 ] - [ -0.0011328500000000, 0.0005735600000000, 0.0011807700000000 ] - [ 0.0073335900000000, -0.0015588900000000, 0.0044934200000000 ] - [ -0.0002950000000000, -0.0012279700000000, -0.0000267300000000 ] - [ 0.0003815000000000, 0.0018197800000000, -0.0008477500000000 ] - [ -0.0030576400000000, -0.0015357400000000, -0.0018835900000000 ] - [ -0.0017419000000000, 0.0018817200000000, -0.0005669500000000 ] - [ -0.0001612900000000, -0.0003056200000000, -0.0000972600000000 ] - [ -0.0035570800000000, -0.0024110400000000, -0.0013414600000000 ] - [ 0.0002913400000000, 0.0007170400000000, -0.0003374200000000 ] - [ -0.0007168500000000, 0.0003810600000000, -0.0000381200000000 ] - [ 0.0089246900000000, 0.0380378200000000, 0.0258367000000000 ] - [ -0.0054988800000000, -0.0040045500000000, 0.0145226500000000 ] - [ -0.0003090100000000, 0.0007171500000000, -0.0006217400000000 ] - [ -0.1336638500000000, -0.1395029700000000, -0.1851754100000000 ] - [ 0.0000049200000000, 0.0001383400000000, 0.0000657900000000 ] - [ -0.0005191600000000, 0.0011854600000000, -0.0003209700000000 ] - [ 0.0010336400000000, -0.0038648900000000, 0.0051366000000000 ] - [ 0.0006515400000000, 0.0106028300000000, 0.0042284000000000 ] - [ -0.0001097500000000, 0.0007125100000000, 0.0006511300000000 ] - [ -0.0008254600000000, -0.0002224000000000, -0.0008118400000000 ] - [ -0.0006123300000000, 0.0024320700000000, -0.0003246000000000 ] - [ -0.0002122100000000, 0.0019366600000000, -0.0052992700000000 ] - [ -0.0000671500000000, 0.0008701600000000, 0.0001817700000000 ] - [ 0.0000475100000000, 0.0019174100000000, 0.0029880400000000 ] - [ -0.0003169300000000, 0.0007443900000000, 0.0038130300000000 ] - [ 0.0000622100000000, -0.0006001900000000, -0.0012624500000000 ] - [ -0.0006335900000000, 0.0009097600000000, 0.0000518100000000 ] - [ 0.0014937700000000, 0.0018409500000000, -0.0009635000000000 ] - [ -0.0004074300000000, -0.0006600300000000, 0.0003656400000000 ] - [ 0.0067412700000000, -0.0018498600000000, 0.0033676100000000 ] - [ -0.0003962100000000, 0.0004028000000000, -0.0004154000000000 ] - [ 0.0001692700000000, 0.0002990500000000, -0.0001349900000000 ] - [ -0.0030964000000000, -0.0009920100000000, -0.0009782300000000 ] - [ 0.0000797000000000, 0.0004313800000000, 0.0006016400000000 ] - [ -0.0003802500000000, -0.0001868000000000, -0.0003517000000000 ] - [ 0.0008851600000000, -0.0003310200000000, 0.0030798900000000 ] - [ -0.0000063000000000, 0.0002126000000000, 0.0011597400000000 ] - [ -0.0003112200000000, -0.0019176500000000, 0.0002689900000000 ] - [ 0.0001962800000000, 0.0004209900000000, -0.0000422200000000 ] - [ 0.0001431200000000, 0.0012573400000000, 0.0003877400000000 ] - [ 0.0013128700000000, -0.0021039100000000, 0.0002650600000000 ] - [ 0.0004485700000000, 0.0004871500000000, 0.0000329800000000 ] - [ 0.0002106600000000, 0.0006519900000000, -0.0000720500000000 ] - [ 0.0005105400000000, -0.0005419200000000, -0.0003307800000000 ] - [ 0.0002555100000000, -0.0005854800000000, -0.0003311600000000 ] - [ 0.0006438700000000, -0.0002749900000000, -0.0004732600000000 ] - [ 0.0004854500000000, 0.0000043600000000, -0.0003277100000000 ] - [ 0.0007523400000000, 0.0001805800000000, -0.0001780700000000 ] - [ 0.0006016200000000, -0.0000102100000000, -0.0001010600000000 ] - [ 0.0026630600000000, 0.0000783600000000, -0.0001000000000000 ] - [ 0.0003746200000000, 0.0004081100000000, -0.0003884100000000 ] - [ 0.0002392100000000, 0.0001010500000000, -0.0004067400000000 ] - [ -0.0001901700000000, -0.0003376900000000, -0.0006594600000000 ] - [ 0.0011370200000000, -0.0004141600000000, 0.0005519800000000 ] - [ -0.0002764700000000, 0.0003261000000000, 0.0004095800000000 ] - [ 0.0001471000000000, 0.0002088000000000, 0.0002771900000000 ] - [ 0.0005039900000000, -0.0001748400000000, -0.0000442600000000 ] - [ -0.0002028300000000, 0.0003988600000000, 0.0006073100000000 ] - [ -0.0001926100000000, 0.0004123700000000, 0.0006865500000000 ] - [ -0.0002733800000000, -0.0002865400000000, 0.0002794400000000 ] - [ -0.0004919900000000, 0.0000527200000000, 0.0001536300000000 ] - [ 0.0000379700000000, 0.0004075500000000, 0.0001458400000000 ] - [ -0.0001634300000000, 0.0006754700000000, 0.0002758600000000 ] - [ 0.0000511100000000, -0.0003226500000000, -0.0001059000000000 ] - [ 0.0000486500000000, -0.0001763500000000, -0.0001070100000000 ] - [ 0.0002749200000000, -0.0013825000000000, -0.0008011900000000 ] - [ -0.0001445200000000, 0.0002977700000000, -0.0000507300000000 ] - [ -0.0000674800000000, 0.0009466300000000, -0.0002859100000000 ] - [ 0.0003110500000000, -0.0001071900000000, 0.0003424000000000 ] - [ 0.0003281900000000, -0.0005157000000000, 0.0003982600000000 ] - [ 0.0000269900000000, 0.0000979300000000, -0.0009574700000000 ] - [ 0.0000179100000000, 0.0002856300000000, -0.0009541900000000 ] - [ 0.0005767100000000, -0.0000019900000000, -0.0017887400000000 ] - [ 0.0020960100000000, 0.0000210900000000, 0.0017465300000000 ] - [ 0.0004420600000000, 0.0003860100000000, 0.0004359600000000 ] - [ -0.0001888000000000, 0.0003047400000000, 0.0001322800000000 ] - [ 0.0004838800000000, -0.0002699700000000, 0.0001038500000000 ] - [ -0.0019034900000000, -0.0003180400000000, 0.0001695600000000 ] - [ 0.0001755000000000, 0.0002710500000000, 0.0001170400000000 ] - [ -0.0001528100000000, -0.0001600600000000, 0.0003226200000000 ] - [ 0.0007898100000000, 0.0003250900000000, 0.0004441000000000 ] - [ -0.0008070600000000, -0.0015461700000000, -0.0045139400000000 ] - [ 0.0000489500000000, 0.0003645400000000, -0.0009762300000000 ] - [ -0.0001352500000000, -0.0004373200000000, -0.0002681000000000 ] - [ 0.0004631200000000, -0.0002494300000000, 0.0000572300000000 ] - [ 0.0002047000000000, -0.0017393800000000, 0.0007775900000000 ] - [ 0.0005031000000000, 0.0016829800000000, -0.0003019200000000 ] - [ -0.0011277600000000, 0.0007473900000000, -0.0006649200000000 ] - [ 0.0002112800000000, 0.0000051000000000, -0.0002617300000000 ] - [ 0.0339753100000000, 0.0005823600000000, 0.0158700000000000 ] - [ -0.0000939900000000, 0.0002225000000000, -0.0002365100000000 ] - [ 0.0003067300000000, 0.0011537800000000, 0.0004325300000000 ] - [ -0.0015250400000000, -0.0019611100000000, 0.0011003500000000 ] - [ -0.0024952000000000, 0.0004290300000000, 0.0058056400000000 ] - [ 0.0001795100000000, 0.0008317700000000, 0.0007828900000000 ] - [ 0.0005995600000000, 0.0004259400000000, -0.0000613300000000 ] - [ -0.0070362700000000, -0.0083229900000000, -0.0135092300000000 ] - [ -0.0071637600000000, 0.0039944700000000, -0.0016911500000000 ] - [ 0.0000358900000000, 0.0001913400000000, 0.0002635800000000 ] - [ -0.0003975900000000, -0.0002239600000000, 0.0004235400000000 ] - [ 0.0025647100000000, 0.0017336400000000, 0.0020308100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0054975300000000, -0.0113559100000000, -0.0128707300000000 ] - [ -0.0002592200000000, 0.0009643300000000, -0.0000710200000000 ] - [ -0.0008131900000000, 0.0014748400000000, 0.0012259500000000 ] - [ -0.0057660500000000, 0.0058941600000000, 0.0128469400000000 ] - [ 0.0012186600000000, -0.0008136400000000, 0.0015369100000000 ] - [ -0.0002092300000000, 0.0012103400000000, 0.0004718100000000 ] - [ 0.0013862700000000, 0.0008581400000000, 0.0000884300000000 ] - [ 0.0007652400000000, -0.0020166800000000, -0.0008266600000000 ] - [ 0.0006340600000000, -0.0007417500000000, -0.0003490400000000 ] - [ 0.0000036200000000, 0.0010324000000000, -0.0003180500000000 ] - [ 0.0000068200000000, 0.0002515400000000, -0.0004442300000000 ] - [ 0.0008821000000000, -0.0000393800000000, -0.0001905400000000 ] - [ 0.0021498000000000, -0.0121930000000000, 0.0068512600000000 ] - [ 0.0004887700000000, 0.0013637200000000, -0.0004201400000000 ] - [ -0.0009036700000000, 0.0017033400000000, -0.0001111800000000 ] - [ -0.0005038100000000, -0.0013046700000000, -0.0016490000000000 ] - [ -0.0067994200000000, -0.0090205900000000, 0.0142262300000000 ] - [ -0.0001932900000000, 0.0017034600000000, 0.0001528300000000 ] - [ -0.0000740000000000, 0.0011526800000000, -0.0002246900000000 ] - [ -0.0931227200000000, -0.0837111300000000, -0.1460034800000000 ] - [ -0.0041467000000000, -0.0015147500000000, -0.0055692600000000 ] - [ -0.0001679400000000, 0.0030835400000000, -0.0001884700000000 ] - [ 0.0000150200000000, 0.0075627400000000, 0.0007236500000000 ] - [ 0.0001507700000000, -0.0001475500000000, 0.0026765800000000 ] - [ 0.0059825900000000, -0.0033097900000000, 0.0050106400000000 ] - [ -0.0001768800000000, 0.0014754000000000, 0.0004172700000000 ] - [ 0.0002099800000000, 0.0006924600000000, 0.0001158100000000 ] - [ -0.0026254400000000, -0.0024452200000000, -0.0018545100000000 ] - [ 0.0006031000000000, -0.0003469900000000, -0.0004642300000000 ] - [ 0.0001879800000000, 0.0001889500000000, -0.0003272800000000 ] - [ 0.0006771600000000, 0.0004160800000000, 0.0003322900000000 ] - [ 0.0002877600000000, 0.0004408600000000, 0.0005080000000000 ] - [ 0.0024303500000000, -0.0001731700000000, 0.0019855000000000 ] - [ 0.0002809600000000, 0.0011204700000000, -0.0001954100000000 ] - [ 0.0001374000000000, 0.0005574700000000, -0.0005168400000000 ] - [ 0.0013424400000000, -0.0012147600000000, -0.0018007800000000 ] - [ -0.0075550600000000, 0.0008963700000000, -0.0050907000000000 ] - [ 0.0000419500000000, 0.0005303100000000, -0.0005866600000000 ] - [ -0.0006279100000000, -0.0011570200000000, 0.0002323000000000 ] - [ 0.0028164400000000, 0.0021914300000000, 0.0012824500000000 ] - [ 0.0013201500000000, -0.0016713900000000, -0.0001992300000000 ] - [ -0.0002688100000000, 0.0005123800000000, -0.0006806700000000 ] - [ 0.0031328200000000, 0.0022041400000000, 0.0005725100000000 ] - [ -0.0007037800000000, -0.0009141300000000, -0.0004285300000000 ] - [ -0.0001754200000000, -0.0007836900000000, -0.0006664400000000 ] - [ -0.0099339100000000, -0.0392660700000000, -0.0269270800000000 ] - [ 0.0045578700000000, 0.0043837200000000, -0.0150265400000000 ] - [ -0.0005811500000000, -0.0003046400000000, -0.0000894900000000 ] - [ 0.1377971000000000, 0.1421806200000000, 0.1866965600000000 ] - [ -0.0003340800000000, -0.0010971500000000, -0.0002759600000000 ] - [ 0.0001838600000000, -0.0002149200000000, 0.0001023100000000 ] - [ -0.0013656500000000, 0.0048060800000000, -0.0053350200000000 ] - [ -0.0009206800000000, -0.0098135800000000, -0.0038349000000000 ] - [ -0.0001714500000000, 0.0000107300000000, -0.0002991500000000 ] - [ 0.0005430100000000, -0.0005028100000000, 0.0011654400000000 ] - [ 0.0003355700000000, -0.0031516200000000, 0.0006800400000000 ] - [ 0.0002035900000000, -0.0017348400000000, 0.0071404800000000 ] - [ 0.0000703700000000, -0.0006460000000000, 0.0016844200000000 ] - [ -0.0000430500000000, -0.0021253400000000, -0.0011023100000000 ] - [ 0.0003176600000000, -0.0009698000000000, -0.0019638300000000 ] - [ 0.0002144300000000, 0.0004940800000000, 0.0006561600000000 ] - [ 0.0009114100000000, -0.0010106100000000, -0.0006535200000000 ] - [ -0.0012031700000000, -0.0017236200000000, 0.0003553200000000 ] - [ 0.0006802000000000, 0.0007621300000000, -0.0009656100000000 ] - [ -0.0069574500000000, 0.0019315300000000, -0.0039325900000000 ] - [ 0.0001063100000000, -0.0002939100000000, -0.0001920400000000 ] - [ -0.0004520000000000, -0.0004015200000000, -0.0004698000000000 ] - [ 0.0028242800000000, 0.0008951500000000, 0.0003831500000000 ] - [ -0.0000859600000000, -0.0002068200000000, 0.0012659400000000 ] - [ 0.0003729200000000, 0.0004112800000000, 0.0022165900000000 ] - [ -0.0008827400000000, 0.0001048200000000, -0.0012057500000000 ] - [ -0.0000011000000000, -0.0004299600000000, 0.0007124300000000 ] - [ 0.0005866900000000, 0.0011964600000000, 0.0000891700000000 ] - [ 0.0000824300000000, -0.0011258800000000, 0.0003943200000000 ] - [ 0.0001326600000000, -0.0005401100000000, -0.0000335000000000 ] - [ -0.0010280800000000, 0.0027963200000000, 0.0000865400000000 ] - [ -0.0001178800000000, 0.0004742300000000, -0.0002486400000000 ] - [ 0.0001198100000000, 0.0003161700000000, -0.0001441900000000 ] - [ -0.0001771400000000, -0.0004274000000000, 0.0001134100000000 ] - [ 0.0000724300000000, -0.0003751200000000, 0.0001188000000000 ] - [ 0.0002436300000000, -0.0001393600000000, -0.0002362300000000 ] - [ 0.0004009000000000, -0.0004148100000000, -0.0003849200000000 ] - [ 0.0001376900000000, 0.0002272200000000, -0.0005324600000000 ] - [ 0.0002857600000000, 0.0004214100000000, -0.0006079100000000 ] - [ -0.0022421200000000, 0.0001129900000000, -0.0006634800000000 ] - [ 0.0000385400000000, -0.0002078200000000, -0.0003788000000000 ] - [ 0.0001709500000000, -0.0002959100000000, -0.0003600500000000 ] - [ 0.0005950100000000, 0.0001430300000000, -0.0001035500000000 ] - [ -0.0015411800000000, 0.0006033000000000, 0.0002121100000000 ] - [ -0.0001282100000000, -0.0001272000000000, 0.0003570500000000 ] - [ -0.0005501500000000, -0.0004022200000000, 0.0004878300000000 ] - [ -0.0008953200000000, -0.0000185400000000, 0.0008085200000000 ] - [ -0.0006772900000000, 0.0000136600000000, 0.0001070100000000 ] - [ -0.0006950600000000, -0.0000007000000000, 0.0000246000000000 ] - [ -0.0006130700000000, -0.0001264900000000, 0.0004316000000000 ] - [ -0.0003952900000000, -0.0004609200000000, 0.0005572000000000 ] - [ -0.0003584100000000, 0.0005484500000000, 0.0000623700000000 ] - [ -0.0001673000000000, 0.0002948300000000, -0.0000583000000000 ] - [ -0.0003770600000000, -0.0006392300000000, 0.0003195400000000 ] - [ -0.0003749300000000, -0.0007826600000000, 0.0003196000000000 ] - [ -0.0005464700000000, 0.0006542700000000, 0.0004456400000000 ] - [ -0.0001297500000000, -0.0009977400000000, -0.0002993700000000 ] - [ -0.0002052100000000, -0.0002307700000000, -0.0000679300000000 ] - [ -0.0005904700000000, 0.0008196000000000, -0.0006944600000000 ] - [ -0.0003237200000000, 0.0002901300000000, -0.0022605300000000 ] - [ -0.0000186500000000, -0.0003184700000000, -0.0009128500000000 ] - [ -0.0000095100000000, -0.0000632500000000, -0.0009116900000000 ] - [ -0.0005642900000000, 0.0002219000000000, -0.0000709600000000 ] - [ -0.0018180100000000, 0.0000785800000000, -0.0011480300000000 ] - [ -0.0001522100000000, -0.0002807100000000, 0.0001712800000000 ] - [ 0.0004762800000000, -0.0004079900000000, 0.0004746800000000 ] - [ -0.0001661400000000, 0.0001560300000000, 0.0005056400000000 ] - [ 0.0016139000000000, 0.0002130600000000, 0.0004334100000000 ] - [ -0.0004454100000000, -0.0003660900000000, 0.0004792900000000 ] - [ -0.0001298100000000, 0.0002656800000000, 0.0002837800000000 ] - [ -0.0010673900000000, -0.0002246200000000, 0.0001545300000000 ] - [ 0.0007995100000000, 0.0017627200000000, 0.0026377900000000 ] - [ -0.0000546000000000, -0.0001395400000000, -0.0008830100000000 ] - [ 0.0001292900000000, 0.0002156200000000, -0.0015999500000000 ] - [ -0.0004670000000000, 0.0000340500000000, -0.0019437600000000 ] - [ 0.0000726100000000, 0.0024483500000000, -0.0011295700000000 ] - [ -0.0002279000000000, -0.0009588100000000, -0.0000545800000000 ] - [ 0.0013995600000000, -0.0014586800000000, 0.0003115200000000 ] - [ 0.0000691300000000, -0.0006952500000000, -0.0000859000000000 ] - [ -0.0342548600000000, -0.0015565700000000, -0.0157354000000000 ] - [ 0.0004204300000000, -0.0011801700000000, 0.0004494100000000 ] - [ 0.0000225300000000, -0.0001836200000000, -0.0002156900000000 ] - [ 0.0018280400000000, 0.0028859700000000, -0.0009085200000000 ] - [ 0.0033579000000000, -0.0000256200000000, -0.0050664900000000 ] - [ 0.0007037300000000, -0.0004148600000000, -0.0000682900000000 ] - [ 0.0002901100000000, -0.0008264100000000, 0.0007658200000000 ] - [ 0.0081877300000000, 0.0082014000000000, 0.0142033700000000 ] - [ 0.0075270900000000, -0.0041752300000000, 0.0024321800000000 ] - [ 0.0003606300000000, -0.0003803900000000, 0.0005018400000000 ] - [ 0.0008061800000000, 0.0004213800000000, 0.0003433000000000 ] - [ -0.0021696400000000, -0.0015409700000000, -0.0012690200000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0068936900000000, 0.0063580200000000, 0.0044299600000000 ] - [ 0.0005720900000000, -0.0002386600000000, 0.0002918600000000 ] - [ 0.0024022400000000, -0.0007589100000000, -0.0009891500000000 ] - [ 0.0002519200000000, -0.0002126200000000, 0.0003530200000000 ] - [ -0.0000379000000000, 0.0013946700000000, -0.0004812800000000 ] - [ 0.0001321500000000, -0.0003689100000000, 0.0002564200000000 ] - [ -0.0076725600000000, -0.0033501800000000, 0.0023678300000000 ] - [ 0.0002121000000000, 0.0000713000000000, 0.0005472900000000 ] - [ -0.0027075400000000, 0.0005611400000000, -0.0000049400000000 ] - [ -0.0008604900000000, 0.0000811500000000, -0.0002674900000000 ] - [ -0.0018620500000000, -0.0005066700000000, -0.0004404300000000 ] - [ -0.0005506900000000, -0.0003623000000000, -0.0003613900000000 ] - [ 0.0003819400000000, -0.0008587000000000, -0.0008266800000000 ] - [ 0.0000303400000000, -0.0000315600000000, -0.0002524900000000 ] - [ -0.0078380400000000, 0.0041241800000000, -0.0017056500000000 ] - [ -0.0000157600000000, -0.0003345500000000, -0.0003378300000000 ] - [ -0.0003356600000000, -0.0013607800000000, 0.0010339900000000 ] - [ 0.0020452000000000, 0.0017631500000000, 0.0016022500000000 ] - [ 0.0018560900000000, 0.0009679700000000, -0.0016970400000000 ] - [ 0.0000213200000000, -0.0012903300000000, -0.0003747000000000 ] - [ 0.0022808200000000, 0.0001836700000000, 0.0001184400000000 ] - [ 0.0005427100000000, -0.0005675000000000, 0.0002532700000000 ] - [ 0.0752629200000000, -0.0060822300000000, -0.0014290300000000 ] - [ 0.0005310800000000, 0.0001519400000000, 0.0001934400000000 ] - [ -0.0014248800000000, 0.0019549100000000, -0.0000602400000000 ] - [ -0.0000554500000000, -0.0021846200000000, 0.0001028700000000 ] - [ -0.0005525100000000, -0.0010863300000000, 0.0018745900000000 ] - [ 0.0000310400000000, 0.0001994200000000, 0.0004033700000000 ] - [ -0.0022703700000000, 0.0010740900000000, 0.0009970000000000 ] - [ -0.0001729200000000, -0.0004631100000000, -0.0000003100000000 ] - [ -0.0031652200000000, 0.0011256600000000, -0.0012186300000000 ] - [ -0.0001880600000000, 0.0000670600000000, -0.0000332400000000 ] - [ -0.0011348800000000, 0.0003298700000000, -0.0004366400000000 ] - [ -0.0004590000000000, 0.0002167300000000, -0.0003232900000000 ] - [ -0.0026630700000000, -0.0001741000000000, -0.0009541400000000 ] - [ -0.0004022800000000, -0.0004204500000000, -0.0003572100000000 ] - [ -0.0067090100000000, 0.0004215200000000, -0.0020378800000000 ] - [ -0.0002561300000000, -0.0004904000000000, -0.0002322900000000 ] - [ -0.0004446500000000, 0.0010660500000000, 0.0021017500000000 ] - [ -0.0003006100000000, 0.0002256300000000, -0.0001948200000000 ] - [ 0.0072193300000000, -0.0380100600000000, 0.0005666500000000 ] - [ -0.0004838700000000, 0.0002683300000000, -0.0004208100000000 ] - [ -0.0017273900000000, -0.0005350400000000, -0.0007074900000000 ] - [ -0.0004370400000000, -0.0001529700000000, -0.0004253800000000 ] - [ -0.0013453800000000, 0.0002800600000000, 0.0005696300000000 ] - [ -0.0006539600000000, 0.0001766100000000, -0.0000583800000000 ] - [ -0.0003372500000000, 0.0017823400000000, -0.0010853300000000 ] - [ -0.0009838000000000, -0.0001959200000000, -0.0002495300000000 ] - [ 0.0002991200000000, 0.0006248800000000, 0.0006892900000000 ] - [ -0.0007236100000000, -0.0008190800000000, -0.0000626100000000 ] - [ -0.0010794300000000, 0.0009628800000000, -0.0007755700000000 ] - [ -0.0004802700000000, 0.0010660700000000, -0.0005650200000000 ] - [ -0.0693958700000000, -0.0064336200000000, -0.0054045500000000 ] - [ -0.0002324000000000, 0.0004370700000000, 0.0002091400000000 ] - [ -0.0006373000000000, -0.0008284200000000, 0.0003928000000000 ] - [ -0.0002341000000000, -0.0001165000000000, 0.0001205400000000 ] - [ -0.0011815300000000, -0.0003820600000000, 0.0008884000000000 ] - [ -0.0001019200000000, 0.0001482200000000, 0.0009503200000000 ] - [ -0.0133124000000000, 0.0093190700000000, 0.0092461900000000 ] - [ -0.0000943900000000, -0.0000230500000000, 0.0010496500000000 ] - [ -0.0005741400000000, -0.0000448000000000, 0.0001382800000000 ] - [ -0.0001274200000000, 0.0001096400000000, -0.0001986800000000 ] - [ 0.0016988500000000, 0.0337362000000000, -0.0078814300000000 ] - [ -0.0000665400000000, 0.0000078700000000, -0.0002361900000000 ] - [ -0.0005062000000000, -0.0020948900000000, -0.0007253900000000 ] - [ -0.0007241600000000, 0.0006690200000000, -0.0005339100000000 ] - [ -0.0004049000000000, 0.0000083800000000, -0.0005854200000000 ] - [ -0.0004532100000000, -0.0002254700000000, -0.0004250300000000 ] - [ 0.0002033800000000, 0.0007862300000000, -0.0005639300000000 ] - [ -0.0000612600000000, 0.0000060000000000, 0.0009341300000000 ] - [ 0.0002138600000000, -0.0005669300000000, 0.0009624600000000 ] - [ -0.0000480100000000, 0.0003994200000000, 0.0013678800000000 ] - [ 0.0000852600000000, -0.0007998400000000, 0.0002954800000000 ] - [ 0.0002249400000000, 0.0003526300000000, -0.0002239300000000 ] - [ 0.0004002200000000, 0.0024463900000000, 0.0007682900000000 ] - [ 0.0004023000000000, -0.0006359000000000, 0.0000846000000000 ] - [ 0.0009956200000000, 0.0001999600000000, 0.0003525100000000 ] - [ 0.0002388400000000, 0.0006201100000000, -0.0001514700000000 ] - [ 0.0015162200000000, -0.0015297600000000, -0.0012637700000000 ] - [ 0.0001699800000000, -0.0004318500000000, -0.0000999900000000 ] - [ 0.0006780900000000, -0.0005633300000000, -0.0006112300000000 ] - [ 0.0005128800000000, -0.0000828900000000, -0.0002861900000000 ] - [ 0.0020732600000000, -0.0004316100000000, 0.0008289500000000 ] - [ 0.0004531400000000, 0.0002333800000000, -0.0003758200000000 ] - [ 0.0008087000000000, -0.0000395100000000, -0.0004753200000000 ] - [ 0.0008083000000000, 0.0007483900000000, -0.0004842900000000 ] - [ 0.0008210600000000, -0.0001370900000000, -0.0007155200000000 ] - [ 0.0003155400000000, -0.0002115300000000, -0.0004112500000000 ] - [ 0.0005473700000000, -0.0001974000000000, 0.0003114800000000 ] - [ 0.0000829800000000, 0.0000886200000000, 0.0003493200000000 ] - [ 0.0021091300000000, 0.0006524300000000, 0.0000787200000000 ] - [ 0.0000865700000000, -0.0000250200000000, 0.0003254200000000 ] - [ 0.0005321500000000, 0.0006347600000000, 0.0011809300000000 ] - [ -0.0003152300000000, 0.0003260600000000, 0.0004692500000000 ] - [ 0.0004437100000000, -0.0008531600000000, 0.0007247500000000 ] - [ -0.0003608800000000, -0.0001676800000000, 0.0003615000000000 ] - [ 0.0009608700000000, -0.0003967700000000, -0.0003183000000000 ] - [ -0.0000706100000000, 0.0005182000000000, 0.0001032800000000 ] - [ 0.0006768400000000, -0.0002776400000000, -0.0003580800000000 ] - [ -0.0000295300000000, -0.0003371700000000, 0.0000266400000000 ] - [ 0.0000883000000000, -0.0003215200000000, -0.0001956300000000 ] - [ 0.0003535200000000, -0.0003985700000000, -0.0000852700000000 ] - [ 0.0000738600000000, 0.0004516800000000, -0.0002173500000000 ] - [ 0.0000728400000000, 0.0003615400000000, -0.0001616700000000 ] - [ 0.0003518300000000, -0.0001255900000000, -0.0009465500000000 ] - [ 0.0001732900000000, -0.0000920100000000, -0.0009829000000000 ] - [ 0.0005546900000000, 0.0001137100000000, -0.0007965600000000 ] - [ 0.0001289200000000, 0.0001389400000000, -0.0009385700000000 ] - [ 0.0008687900000000, 0.0003085600000000, 0.0005881000000000 ] - [ 0.0004763600000000, 0.0001665900000000, 0.0004273700000000 ] - [ 0.0024859300000000, -0.0009785600000000, 0.0012645000000000 ] - [ 0.0004402200000000, -0.0000955100000000, 0.0004147500000000 ] - [ 0.0023562000000000, 0.0005953100000000, -0.0004355300000000 ] - [ 0.0000471900000000, 0.0000234300000000, 0.0002388600000000 ] - [ 0.0007288700000000, -0.0004016300000000, -0.0003629400000000 ] - [ -0.0000133500000000, 0.0000470700000000, 0.0002604900000000 ] - [ 0.0010669900000000, 0.0003305100000000, 0.0009749600000000 ] - [ 0.0000293500000000, 0.0001082700000000, -0.0010022300000000 ] - [ 0.0005392400000000, -0.0000271000000000, -0.0025478700000000 ] - [ 0.0000449900000000, -0.0000236000000000, -0.0010527700000000 ] - [ 0.0002683200000000, 0.0001685600000000, -0.0006025200000000 ] - [ 0.0001721700000000, 0.0003629900000000, -0.0001897700000000 ] - [ 0.0014302200000000, -0.0002760400000000, 0.0003911300000000 ] - [ 0.0001769700000000, -0.0001518500000000, -0.0001341200000000 ] - [ 0.0000875200000000, -0.0001375100000000, 0.0001587000000000 ] - [ -0.0000080300000000, -0.0008117800000000, 0.0004587400000000 ] - [ -0.0003121200000000, -0.0014781000000000, -0.0011692100000000 ] - [ 0.0004166500000000, 0.0009780200000000, 0.0001644000000000 ] - [ 0.0004443300000000, 0.0005891300000000, 0.0002268800000000 ] - [ 0.0002596500000000, -0.0001320700000000, -0.0000744300000000 ] - [ -0.0001967500000000, -0.0016792300000000, 0.0021538800000000 ] - [ 0.0005860000000000, 0.0001352300000000, 0.0002500900000000 ] - [ 0.0061787600000000, 0.0011987200000000, 0.0037951300000000 ] - [ 0.0001898600000000, -0.0000970400000000, 0.0003845200000000 ] - [ -0.0006277600000000, -0.0003060600000000, -0.0002252200000000 ] - [ 0.0003037600000000, 0.0001979600000000, 0.0003913600000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0072126600000000, -0.0066647700000000, -0.0036123300000000 ] - [ -0.0010193400000000, -0.0002529500000000, 0.0003894500000000 ] - [ -0.0028794400000000, 0.0012751900000000, 0.0017392500000000 ] - [ -0.0007025600000000, 0.0007227700000000, 0.0003302100000000 ] - [ 0.0004796800000000, -0.0008999400000000, 0.0011586400000000 ] - [ 0.0003167800000000, 0.0008795900000000, 0.0004291000000000 ] - [ 0.0081645900000000, 0.0028452400000000, -0.0016948100000000 ] - [ 0.0002323000000000, -0.0005638500000000, 0.0001388200000000 ] - [ 0.0022621100000000, -0.0000612000000000, -0.0006780700000000 ] - [ 0.0004176500000000, 0.0004205400000000, -0.0004175700000000 ] - [ 0.0014165600000000, -0.0000032300000000, -0.0002465400000000 ] - [ 0.0001015400000000, -0.0001325400000000, -0.0003231600000000 ] - [ 0.0000689000000000, 0.0003533800000000, 0.0001448800000000 ] - [ 0.0004140900000000, -0.0004606700000000, -0.0004308000000000 ] - [ 0.0082584100000000, -0.0036346300000000, 0.0010129000000000 ] - [ 0.0004611100000000, 0.0008478500000000, -0.0003431000000000 ] - [ 0.0003487500000000, 0.0018738200000000, -0.0010474300000000 ] - [ -0.0020606000000000, -0.0012523300000000, -0.0016091200000000 ] - [ -0.0018643000000000, -0.0014512900000000, 0.0017028300000000 ] - [ -0.0000182800000000, 0.0008054800000000, 0.0003759800000000 ] - [ -0.0020461100000000, -0.0008859100000000, 0.0005009100000000 ] - [ -0.0003083400000000, -0.0000892200000000, 0.0003573800000000 ] - [ -0.0749618900000000, 0.0046736800000000, 0.0018145800000000 ] - [ -0.0002926900000000, 0.0005248700000000, 0.0004184800000000 ] - [ 0.0011781000000000, -0.0012754000000000, 0.0006755000000000 ] - [ -0.0001786700000000, 0.0028663500000000, 0.0005079600000000 ] - [ 0.0003323000000000, 0.0004256300000000, -0.0012581700000000 ] - [ -0.0002674100000000, -0.0008601000000000, 0.0002084200000000 ] - [ 0.0022723500000000, -0.0015823100000000, -0.0009960500000000 ] - [ 0.0001719900000000, -0.0000213400000000, 0.0000008100000000 ] - [ 0.0031643800000000, -0.0006549800000000, 0.0012201600000000 ] - [ 0.0001876500000000, 0.0004364200000000, 0.0000327700000000 ] - [ 0.0013710400000000, 0.0003400500000000, -0.0001773800000000 ] - [ 0.0006970800000000, 0.0004500300000000, -0.0002897500000000 ] - [ 0.0029049800000000, -0.0004915300000000, 0.0003425300000000 ] - [ 0.0006409600000000, -0.0002403400000000, -0.0002522200000000 ] - [ 0.0065173600000000, -0.0011320700000000, 0.0014348800000000 ] - [ 0.0000166100000000, -0.0001710100000000, -0.0003795000000000 ] - [ 0.0001943200000000, -0.0004217000000000, -0.0027157000000000 ] - [ 0.0000667500000000, 0.0004495400000000, -0.0004164400000000 ] - [ -0.0078346300000000, 0.0387672000000000, -0.0014272000000000 ] - [ 0.0000293500000000, -0.0000518000000000, -0.0003559300000000 ] - [ 0.0012611500000000, 0.0003167300000000, -0.0000729400000000 ] - [ -0.0000317500000000, -0.0000717000000000, -0.0003537900000000 ] - [ 0.0004991600000000, -0.0007360500000000, -0.0013382400000000 ] - [ -0.0001994500000000, -0.0006288700000000, -0.0007033800000000 ] - [ -0.0005259800000000, -0.0013545700000000, 0.0003370100000000 ] - [ 0.0001294200000000, 0.0006405300000000, -0.0005043600000000 ] - [ -0.0005933000000000, -0.0015644500000000, -0.0008782100000000 ] - [ 0.0004362400000000, -0.0001051000000000, -0.0001172900000000 ] - [ 0.0007998000000000, -0.0000502600000000, 0.0005987300000000 ] - [ 0.0001923100000000, -0.0001483700000000, 0.0003894400000000 ] - [ 0.0692500000000000, 0.0083203500000000, 0.0061406500000000 ] - [ -0.0000429700000000, 0.0002253700000000, 0.0001280800000000 ] - [ 0.0003597700000000, 0.0001797000000000, -0.0000638200000000 ] - [ -0.0000413900000000, -0.0005540000000000, 0.0002199400000000 ] - [ 0.0011962600000000, 0.0006003200000000, 0.0010080200000000 ] - [ 0.0001158800000000, 0.0000600100000000, 0.0009638700000000 ] - [ 0.0132808100000000, -0.0096436900000000, -0.0073373200000000 ] - [ 0.0001094800000000, -0.0001889800000000, 0.0008563900000000 ] - [ 0.0008870400000000, -0.0000697000000000, -0.0007594000000000 ] - [ 0.0004450900000000, -0.0002308200000000, -0.0004285600000000 ] - [ -0.0014333100000000, -0.0333292300000000, 0.0070784300000000 ] - [ 0.0003813800000000, 0.0001087200000000, -0.0003857500000000 ] - [ 0.0001906100000000, 0.0022001700000000, 0.0000996000000000 ] - [ 0.0004000200000000, -0.0005503500000000, -0.0000943700000000 ] - [ 0.0000721400000000, -0.0001344000000000, -0.0000505000000000 ] - [ 0.0001383300000000, 0.0001073500000000, -0.0001975900000000 ] - [ -0.0002252800000000, -0.0005794000000000, 0.0024817800000000 ] - [ 0.0000435100000000, 0.0002030800000000, 0.0009766400000000 ] - [ -0.0002245800000000, 0.0003505500000000, 0.0009419900000000 ] - [ 0.0000273800000000, -0.0006095900000000, 0.0005472700000000 ] - [ 0.0001886300000000, 0.0001354200000000, 0.0000424700000000 ] - [ 0.0000454600000000, -0.0010212700000000, 0.0005636300000000 ] - [ -0.0001304900000000, -0.0017966600000000, -0.0004324500000000 ] - [ -0.0001286800000000, 0.0012959100000000, 0.0002511800000000 ] - [ -0.0006970000000000, 0.0007334500000000, -0.0005376900000000 ] - [ 0.0000481100000000, 0.0003046800000000, -0.0000303800000000 ] - [ -0.0012281100000000, 0.0006111300000000, 0.0010831300000000 ] - [ 0.0001176300000000, -0.0004943900000000, -0.0000821300000000 ] - [ 0.0001767000000000, 0.0001153700000000, -0.0001445300000000 ] - [ 0.0003338100000000, -0.0003721200000000, -0.0004783400000000 ] - [ -0.0012253100000000, 0.0008914400000000, -0.0015945300000000 ] - [ 0.0003971000000000, 0.0002151600000000, -0.0003818800000000 ] - [ -0.0003487700000000, 0.0002558000000000, -0.0003014000000000 ] - [ -0.0003482500000000, -0.0005319600000000, -0.0002934600000000 ] - [ -0.0003630500000000, -0.0000833100000000, -0.0000628000000000 ] - [ 0.0001485300000000, -0.0000101400000000, -0.0003666900000000 ] - [ -0.0010096200000000, 0.0004162700000000, 0.0004666000000000 ] - [ -0.0005433400000000, 0.0001312900000000, 0.0004286400000000 ] - [ -0.0025794700000000, -0.0008763400000000, 0.0007013500000000 ] - [ -0.0005442300000000, -0.0001936300000000, 0.0004510500000000 ] - [ -0.0013763200000000, -0.0001765000000000, -0.0004162100000000 ] - [ -0.0005380300000000, 0.0001221600000000, 0.0002891000000000 ] - [ -0.0012945600000000, 0.0004040300000000, 0.0000336400000000 ] - [ -0.0004908000000000, -0.0002829800000000, 0.0003968100000000 ] - [ -0.0012423100000000, 0.0013187500000000, 0.0004941900000000 ] - [ -0.0002210000000000, 0.0004102600000000, 0.0000819900000000 ] - [ -0.0009622800000000, -0.0006427500000000, 0.0005377100000000 ] - [ -0.0002609500000000, -0.0005911100000000, 0.0001571600000000 ] - [ -0.0003610800000000, -0.0003436900000000, -0.0001425300000000 ] - [ -0.0006250700000000, -0.0002593000000000, -0.0002501700000000 ] - [ -0.0003447300000000, 0.0002088500000000, -0.0001204900000000 ] - [ -0.0003470900000000, 0.0003058800000000, -0.0001768500000000 ] - [ -0.0003345900000000, -0.0000830000000000, -0.0009668200000000 ] - [ -0.0001523700000000, -0.0001174900000000, -0.0009349900000000 ] - [ -0.0005356100000000, 0.0000951100000000, -0.0011143600000000 ] - [ -0.0001116800000000, 0.0000704700000000, -0.0009723800000000 ] - [ -0.0005515900000000, -0.0001902000000000, 0.0000351800000000 ] - [ -0.0001518300000000, -0.0000475900000000, 0.0002006000000000 ] - [ -0.0021547000000000, 0.0008545100000000, -0.0006298300000000 ] - [ -0.0001129500000000, -0.0000271400000000, 0.0002149300000000 ] - [ -0.0026854900000000, -0.0007116000000000, 0.0010625800000000 ] - [ -0.0003624000000000, -0.0001463500000000, 0.0003849100000000 ] - [ -0.0010471100000000, 0.0005266100000000, 0.0009913300000000 ] - [ -0.0003003800000000, 0.0000692900000000, 0.0003636900000000 ] - [ -0.0010922600000000, -0.0001174400000000, -0.0028990300000000 ] - [ -0.0000432700000000, 0.0000960800000000, -0.0009124000000000 ] - [ -0.0005543400000000, -0.0001747600000000, 0.0006255200000000 ] - [ -0.0000602400000000, -0.0001878500000000, -0.0008564600000000 ] - [ 0.0000045800000000, 0.0005046300000000, 0.0002624700000000 ] - [ 0.0001041900000000, 0.0002978600000000, -0.0001458100000000 ] - [ -0.0011567100000000, -0.0003709700000000, -0.0007241200000000 ] - [ 0.0000983400000000, -0.0005291400000000, -0.0002088300000000 ] - [ 0.0002023400000000, -0.0007897400000000, 0.0000216200000000 ] - [ 0.0002984400000000, -0.0001142000000000, -0.0002771300000000 ] - [ 0.0006031700000000, 0.0024045500000000, 0.0013539200000000 ] - [ -0.0001321500000000, -0.0000598000000000, 0.0000172100000000 ] - [ 0.0004036100000000, -0.0001394800000000, 0.0005393200000000 ] - [ 0.0005937200000000, 0.0005811800000000, 0.0008359900000000 ] - [ 0.0010506400000000, 0.0012328400000000, -0.0013982600000000 ] - [ 0.0002667400000000, -0.0005843800000000, 0.0005045100000000 ] - [ -0.0058074500000000, -0.0014413400000000, -0.0030719100000000 ] - [ 0.0002685800000000, -0.0001253500000000, 0.0003921300000000 ] - [ 0.0011116100000000, 0.0005388500000000, 0.0010053800000000 ] - [ 0.0001572100000000, 0.0000202700000000, 0.0003874900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000971900000000, 0.0245433900000000, 0.0096057000000000 ] - [ -0.0000916100000000, -0.0058547200000000, 0.0008024900000000 ] - [ 0.0043453800000000, -0.0008763700000000, -0.0138690600000000 ] - [ 0.0007506800000000, -0.0053035800000000, 0.0002409500000000 ] - [ 0.0034387400000000, 0.0043879600000000, 0.0025177300000000 ] - [ -0.0003421200000000, -0.0036599600000000, -0.0001068000000000 ] - [ -0.0174287400000000, -0.0009378400000000, 0.0043891700000000 ] - [ 0.0013469300000000, -0.0048769800000000, -0.0003485600000000 ] - [ 0.0003591100000000, 0.0038830600000000, -0.0006294000000000 ] - [ -0.0008846100000000, -0.0031771600000000, -0.0002480600000000 ] - [ -0.0007012500000000, 0.0019758200000000, 0.0000936900000000 ] - [ -0.0002535400000000, -0.0026934900000000, -0.0006237100000000 ] - [ -0.0026108400000000, 0.0047108900000000, -0.0012782800000000 ] - [ 0.0010136900000000, -0.0047357100000000, -0.0006580000000000 ] - [ 0.0176843200000000, 0.0003656900000000, 0.0041362900000000 ] - [ -0.0013954100000000, -0.0051856900000000, -0.0002302800000000 ] - [ -0.0077313600000000, -0.0084172100000000, 0.0090327100000000 ] - [ 0.0015718300000000, -0.0067053500000000, -0.0006665700000000 ] - [ 0.0008278200000000, -0.0044766400000000, 0.0018845200000000 ] - [ -0.0077754900000000, -0.0070688000000000, -0.0053335600000000 ] - [ -0.0012472300000000, 0.0123076800000000, -0.0098416700000000 ] - [ 0.0000596200000000, -0.0049050900000000, 0.0007166100000000 ] - [ 0.0005576300000000, 0.3763694200000000, 0.0397351200000000 ] - [ 0.0005151500000000, -0.0046333700000000, 0.0000077700000000 ] - [ 0.0124401600000000, -0.0062533100000000, 0.0078801700000000 ] - [ -0.0011106200000000, -0.0060786500000000, -0.0003848800000000 ] - [ -0.0037105100000000, -0.0027080400000000, 0.0020309300000000 ] - [ 0.0014327900000000, -0.0016065700000000, -0.0001204800000000 ] - [ -0.0011834500000000, 0.0065612300000000, 0.0011524200000000 ] - [ 0.0001765900000000, -0.0039385200000000, -0.0001685900000000 ] - [ -0.0017361500000000, 0.0081442000000000, -0.0025866200000000 ] - [ 0.0002018600000000, -0.0035452700000000, 0.0003661000000000 ] - [ -0.0003673000000000, 0.0001879500000000, -0.0002159700000000 ] - [ 0.0001531100000000, -0.0008368700000000, -0.0004035700000000 ] - [ -0.0006151100000000, -0.0021489900000000, 0.0016141500000000 ] - [ -0.0001332000000000, -0.0009743200000000, -0.0008733700000000 ] - [ -0.0119804600000000, 0.0130951900000000, -0.0019484200000000 ] - [ 0.0003157600000000, -0.0046221400000000, -0.0005160700000000 ] - [ 0.0033186100000000, 0.0081723100000000, -0.0031068900000000 ] - [ -0.0011326600000000, -0.0037299800000000, 0.0003208800000000 ] - [ -0.0289997600000000, 0.0350890000000000, -0.0018824500000000 ] - [ -0.0012459200000000, 0.0017247300000000, -0.0005735600000000 ] - [ 0.0001645200000000, -0.0023604700000000, 0.0010579900000000 ] - [ 0.0005848700000000, 0.0012697900000000, -0.0002541500000000 ] - [ -0.0016516200000000, 0.0014805700000000, 0.0009459600000000 ] - [ -0.0006309500000000, 0.0033806600000000, 0.0029967800000000 ] - [ 0.0058765200000000, 0.0098120700000000, -0.0087074900000000 ] - [ 0.0000653200000000, 0.0025883600000000, -0.0015345600000000 ] - [ 0.0079083800000000, 0.0121544000000000, 0.0100556000000000 ] - [ 0.0001044900000000, 0.0016622900000000, 0.0002496400000000 ] - [ -0.0018942900000000, 0.0034271700000000, -0.0002416800000000 ] - [ -0.0006500300000000, 0.0039619300000000, -0.0028866000000000 ] - [ -0.0072772600000000, -0.5132347200000000, -0.0775939900000000 ] - [ -0.0000256700000000, 0.0040702800000000, 0.0010917900000000 ] - [ 0.0003715500000000, -0.0099559200000000, 0.0045830500000000 ] - [ -0.0003526900000000, 0.0032194300000000, -0.0007535600000000 ] - [ -0.0006542600000000, -0.0056342400000000, 0.0128380400000000 ] - [ 0.0000644300000000, 0.0014704300000000, -0.0000259000000000 ] - [ 0.0001446700000000, 0.0278900700000000, 0.0298013000000000 ] - [ -0.0001536600000000, 0.0013218100000000, 0.0018518200000000 ] - [ -0.0004522200000000, -0.0020698800000000, 0.0010751100000000 ] - [ -0.0005310100000000, 0.0012645200000000, 0.0000672300000000 ] - [ 0.0256457500000000, 0.0393025300000000, -0.0107390000000000 ] - [ 0.0006200700000000, 0.0014824000000000, -0.0006163800000000 ] - [ -0.0122794200000000, 0.0083340900000000, -0.0040834000000000 ] - [ -0.0007437200000000, 0.0017213100000000, -0.0006547600000000 ] - [ 0.0018805800000000, 0.0008912900000000, 0.0007723300000000 ] - [ -0.0005721300000000, 0.0004177700000000, -0.0003410400000000 ] - [ 0.0009875200000000, 0.0011234300000000, -0.0012825100000000 ] - [ -0.0004890900000000, 0.0007237300000000, 0.0011098200000000 ] - [ -0.0023282300000000, -0.0000002600000000, -0.0024976900000000 ] - [ 0.0002847400000000, 0.0014792500000000, 0.0021850800000000 ] - [ -0.0003306700000000, -0.0000521900000000, 0.0002519700000000 ] - [ 0.0008174000000000, 0.0019929100000000, -0.0006762500000000 ] - [ 0.0010955100000000, 0.0049555700000000, 0.0012268900000000 ] - [ -0.0019812200000000, 0.0049568300000000, -0.0000489400000000 ] - [ -0.0011114400000000, -0.0031809600000000, 0.0014481800000000 ] - [ 0.0008107800000000, 0.0022971400000000, -0.0008793200000000 ] - [ 0.0022635200000000, -0.0049564500000000, -0.0025573100000000 ] - [ -0.0006448900000000, 0.0014589700000000, 0.0007928300000000 ] - [ -0.0007000300000000, -0.0028899200000000, -0.0020994000000000 ] - [ 0.0010134500000000, 0.0013386800000000, 0.0005723100000000 ] - [ 0.0035825800000000, -0.0037985000000000, 0.0029768700000000 ] - [ -0.0003384300000000, 0.0019514900000000, -0.0014766300000000 ] - [ -0.0049920500000000, -0.0007873500000000, -0.0005086700000000 ] - [ 0.0020815500000000, 0.0020483900000000, -0.0006538100000000 ] - [ 0.0023520800000000, -0.0005574600000000, -0.0010521400000000 ] - [ -0.0009244400000000, 0.0006085100000000, -0.0001116000000000 ] - [ -0.0002880500000000, -0.0001917000000000, 0.0002069700000000 ] - [ -0.0003883100000000, 0.0006483300000000, 0.0004736500000000 ] - [ 0.0023479100000000, 0.0009055800000000, -0.0003852900000000 ] - [ -0.0002261900000000, 0.0003427600000000, 0.0005024700000000 ] - [ -0.0005731000000000, -0.0015996500000000, 0.0002340800000000 ] - [ 0.0000091500000000, 0.0015629000000000, 0.0010413900000000 ] - [ 0.0006570800000000, -0.0027137500000000, 0.0016829300000000 ] - [ -0.0009551400000000, 0.0012659800000000, -0.0004591600000000 ] - [ 0.0011918800000000, -0.0028054300000000, -0.0009136800000000 ] - [ -0.0007463300000000, 0.0022083600000000, 0.0007584200000000 ] - [ -0.0004431800000000, -0.0026273700000000, 0.0005664800000000 ] - [ 0.0003597500000000, 0.0010827500000000, -0.0004806500000000 ] - [ -0.0001445400000000, -0.0002535300000000, -0.0000615700000000 ] - [ -0.0000617500000000, 0.0014461500000000, -0.0000419000000000 ] - [ -0.0001020800000000, 0.0008288400000000, -0.0002191200000000 ] - [ -0.0000134400000000, 0.0008428600000000, -0.0003569900000000 ] - [ 0.0001173000000000, -0.0003744100000000, -0.0009431900000000 ] - [ -0.0000668400000000, 0.0004007800000000, -0.0011148800000000 ] - [ 0.0001461300000000, -0.0000658900000000, -0.0021215400000000 ] - [ 0.0001560300000000, 0.0005224700000000, -0.0004085800000000 ] - [ 0.0008012700000000, -0.0000926100000000, 0.0004640300000000 ] - [ 0.0002496800000000, 0.0005831100000000, 0.0004497000000000 ] - [ -0.0018797600000000, 0.0007865000000000, -0.0008417300000000 ] - [ 0.0005582000000000, 0.0002461800000000, 0.0004284400000000 ] - [ 0.0024788500000000, -0.0017396400000000, -0.0000163700000000 ] - [ 0.0004192000000000, 0.0011408800000000, -0.0000324000000000 ] - [ -0.0008587600000000, -0.0011091700000000, 0.0008368300000000 ] - [ -0.0001911100000000, 0.0009658500000000, 0.0003893400000000 ] - [ 0.0021956500000000, -0.0020814100000000, 0.0002250300000000 ] - [ -0.0001445700000000, 0.0012925300000000, -0.0002035200000000 ] - [ -0.0015536500000000, -0.0023368500000000, 0.0018359600000000 ] - [ 0.0003087300000000, 0.0011864600000000, -0.0019140200000000 ] - [ 0.0003018300000000, -0.0054234500000000, 0.0014578200000000 ] - [ 0.0001011700000000, 0.0034680000000000, -0.0010010600000000 ] - [ 0.0001806600000000, -0.0098225600000000, -0.0026777000000000 ] - [ 0.0003197400000000, 0.0030073100000000, 0.0006733000000000 ] - [ 0.0026299500000000, -0.0011389700000000, 0.0021864800000000 ] - [ -0.0010316100000000, 0.0018443600000000, -0.0012185300000000 ] - [ -0.0005691800000000, 0.0032764100000000, 0.0012077100000000 ] - [ 0.0032253500000000, 0.0042706100000000, 0.0004557000000000 ] - [ 0.0030128300000000, -0.0003497100000000, -0.0027966600000000 ] - [ -0.0010442800000000, 0.0029185500000000, 0.0022177400000000 ] - [ 0.0000651900000000, 0.0015908500000000, -0.0015955800000000 ] - [ 0.0030829200000000, 0.0028775700000000, -0.0007751600000000 ] - [ 0.0146518800000000, -0.0054553000000000, 0.0048891800000000 ] - [ -0.0009032500000000, 0.0013566500000000, 0.0001711900000000 ] - [ -0.0036873500000000, -0.0024704400000000, 0.0010720900000000 ] - [ 0.0015580200000000, 0.0016346300000000, 0.0005659700000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007320100000000, -0.0269964300000000, -0.0102486100000000 ] - [ -0.0003496300000000, 0.0053612500000000, -0.0001243400000000 ] - [ -0.0047745200000000, 0.0013965300000000, 0.0145523100000000 ] - [ -0.0011978300000000, 0.0058254100000000, 0.0004414100000000 ] - [ -0.0029870000000000, -0.0039203900000000, -0.0018344800000000 ] - [ 0.0007814800000000, 0.0041762000000000, 0.0007847800000000 ] - [ 0.0178358900000000, 0.0004505300000000, -0.0037165400000000 ] - [ -0.0009163000000000, 0.0043800100000000, 0.0010289300000000 ] - [ -0.0008041400000000, -0.0034010000000000, -0.0000482900000000 ] - [ 0.0004476300000000, 0.0036889700000000, -0.0004309200000000 ] - [ 0.0002613300000000, -0.0024712100000000, -0.0007659400000000 ] - [ -0.0001841600000000, 0.0021857100000000, -0.0000521400000000 ] - [ 0.0030486000000000, -0.0052617400000000, 0.0006042700000000 ] - [ -0.0005750400000000, 0.0042399200000000, -0.0000196600000000 ] - [ -0.0172313200000000, 0.0001510000000000, -0.0048148600000000 ] - [ 0.0018489700000000, 0.0057085500000000, -0.0004522900000000 ] - [ 0.0077813000000000, 0.0089131900000000, -0.0090951900000000 ] - [ -0.0015811100000000, 0.0071981600000000, 0.0006597900000000 ] - [ -0.0008329200000000, 0.0040093500000000, -0.0018826100000000 ] - [ 0.0078274600000000, 0.0066174900000000, 0.0053731400000000 ] - [ 0.0014796200000000, -0.0129902100000000, 0.0104588800000000 ] - [ 0.0001852500000000, 0.0042459000000000, -0.0001030700000000 ] - [ -0.0004026100000000, -0.3480715500000000, -0.0349961300000000 ] - [ -0.0002719100000000, 0.0053197900000000, 0.0006051100000000 ] - [ -0.0127525300000000, 0.0069287200000000, -0.0073429000000000 ] - [ 0.0008644400000000, 0.0067568800000000, 0.0009966800000000 ] - [ 0.0034642100000000, 0.0020443900000000, -0.0014078400000000 ] - [ -0.0016919900000000, 0.0009227300000000, 0.0007397000000000 ] - [ 0.0011941400000000, -0.0070512700000000, -0.0011554200000000 ] - [ -0.0001765100000000, 0.0034650400000000, 0.0001701600000000 ] - [ 0.0017695900000000, -0.0076604000000000, 0.0025865100000000 ] - [ -0.0002033800000000, 0.0040306200000000, -0.0003681200000000 ] - [ 0.0006193000000000, 0.0004720600000000, -0.0003968200000000 ] - [ 0.0000938300000000, 0.0015183600000000, -0.0002107200000000 ] - [ 0.0008613200000000, 0.0014825100000000, -0.0022231200000000 ] - [ 0.0003831200000000, 0.0002930600000000, 0.0002624000000000 ] - [ 0.0117079000000000, -0.0137817800000000, 0.0013245600000000 ] - [ -0.0005609800000000, 0.0039591300000000, -0.0000954800000000 ] - [ -0.0035849500000000, -0.0074922700000000, 0.0024983100000000 ] - [ 0.0008950800000000, 0.0044124500000000, -0.0009365100000000 ] - [ 0.0280743200000000, -0.0343248300000000, 0.0010897500000000 ] - [ 0.0008275200000000, -0.0015136700000000, -0.0001822100000000 ] - [ -0.0005756700000000, 0.0021507500000000, -0.0018163600000000 ] - [ -0.0010165200000000, -0.0014861200000000, -0.0005034100000000 ] - [ 0.0007746000000000, -0.0018965900000000, -0.0016831200000000 ] - [ -0.0002465800000000, -0.0038155100000000, -0.0037580800000000 ] - [ -0.0068010900000000, -0.0094704800000000, 0.0080458500000000 ] - [ -0.0009455100000000, -0.0021753300000000, 0.0008019500000000 ] - [ -0.0082818800000000, -0.0132184100000000, -0.0103473500000000 ] - [ -0.0004235100000000, -0.0025981700000000, -0.0004434000000000 ] - [ 0.0015825000000000, -0.0024994100000000, 0.0000494000000000 ] - [ 0.0003362800000000, -0.0030348500000000, 0.0027077600000000 ] - [ 0.0074651500000000, 0.4867515000000000, 0.0749907300000000 ] - [ -0.0002494500000000, -0.0033769800000000, -0.0007567300000000 ] - [ -0.0006483900000000, 0.0092608400000000, -0.0042495300000000 ] - [ 0.0000771200000000, -0.0039214600000000, 0.0010929400000000 ] - [ 0.0006672400000000, 0.0058938700000000, -0.0109587800000000 ] - [ -0.0000653900000000, -0.0012629500000000, 0.0019101200000000 ] - [ -0.0000833900000000, -0.0277339900000000, -0.0274529400000000 ] - [ 0.0001566900000000, -0.0015299200000000, 0.0000263500000000 ] - [ 0.0007405000000000, 0.0019593100000000, -0.0016836200000000 ] - [ 0.0008299700000000, -0.0013754700000000, -0.0006752800000000 ] - [ -0.0248797100000000, -0.0384734800000000, 0.0098609000000000 ] - [ -0.0003243500000000, -0.0013730300000000, 0.0000137400000000 ] - [ 0.0121002100000000, -0.0082969300000000, 0.0035086200000000 ] - [ 0.0004398700000000, -0.0016097300000000, 0.0000477600000000 ] - [ -0.0021863800000000, -0.0010068200000000, -0.0013813800000000 ] - [ 0.0002794300000000, -0.0005214500000000, -0.0002617000000000 ] - [ -0.0009907100000000, -0.0009189300000000, 0.0031603400000000 ] - [ 0.0004854000000000, -0.0005117800000000, 0.0007652700000000 ] - [ 0.0023266000000000, -0.0001988700000000, 0.0044043100000000 ] - [ -0.0002900500000000, -0.0016847600000000, -0.0003022700000000 ] - [ 0.0006036400000000, -0.0006340800000000, 0.0000795900000000 ] - [ -0.0005450700000000, -0.0026956000000000, 0.0010146600000000 ] - [ -0.0008230300000000, -0.0042663500000000, -0.0008913600000000 ] - [ 0.0022611100000000, -0.0042666300000000, 0.0003965300000000 ] - [ 0.0014103200000000, 0.0041109600000000, -0.0016456400000000 ] - [ -0.0004987700000000, -0.0013586100000000, 0.0006854600000000 ] - [ -0.0019551200000000, 0.0040116300000000, 0.0023650200000000 ] - [ 0.0009575600000000, -0.0023970900000000, -0.0009899300000000 ] - [ 0.0015751200000000, 0.0024749800000000, 0.0013650500000000 ] - [ -0.0001413000000000, -0.0017542500000000, -0.0013112800000000 ] - [ -0.0027140000000000, 0.0042011900000000, -0.0037110100000000 ] - [ 0.0012129200000000, -0.0015383000000000, 0.0007439700000000 ] - [ 0.0054390100000000, 0.0010068700000000, -0.0002421300000000 ] - [ -0.0016519000000000, -0.0018356400000000, -0.0001032600000000 ] - [ -0.0019193900000000, 0.0003388800000000, 0.0002943100000000 ] - [ 0.0013497400000000, -0.0008178900000000, -0.0006453000000000 ] - [ -0.0001424900000000, 0.0004089200000000, 0.0005500900000000 ] - [ -0.0000330200000000, -0.0004376200000000, 0.0002829800000000 ] - [ -0.0027645200000000, -0.0011184600000000, 0.0011419700000000 ] - [ -0.0001975500000000, -0.0005520100000000, 0.0002545400000000 ] - [ -0.0003031700000000, 0.0020051400000000, 0.0004971700000000 ] - [ -0.0008853800000000, -0.0011469300000000, -0.0003044000000000 ] - [ -0.0015350900000000, 0.0023022500000000, -0.0009498100000000 ] - [ 0.0000824000000000, -0.0016818100000000, 0.0011944900000000 ] - [ -0.0015105100000000, 0.0037438800000000, 0.0011126900000000 ] - [ 0.0004332800000000, -0.0012709600000000, -0.0005627600000000 ] - [ 0.0001288900000000, 0.0016865000000000, -0.0003689300000000 ] - [ -0.0006726300000000, -0.0020189300000000, 0.0006745700000000 ] - [ -0.0001271300000000, -0.0004331100000000, -0.0002719300000000 ] - [ -0.0002063900000000, -0.0021419400000000, -0.0002930400000000 ] - [ -0.0001672400000000, -0.0001397100000000, -0.0001159200000000 ] - [ -0.0002598800000000, -0.0001321300000000, 0.0000183200000000 ] - [ -0.0001138100000000, 0.0001711000000000, -0.0009378300000000 ] - [ 0.0000743200000000, -0.0006116400000000, -0.0007659400000000 ] - [ -0.0001380600000000, 0.0002697700000000, 0.0002332500000000 ] - [ -0.0001506200000000, -0.0003114100000000, -0.0014740000000000 ] - [ -0.0005036600000000, 0.0002040200000000, 0.0001395200000000 ] - [ 0.0000529200000000, -0.0004762900000000, 0.0001561500000000 ] - [ 0.0021817300000000, -0.0008970300000000, 0.0014498800000000 ] - [ -0.0002592300000000, -0.0003518000000000, 0.0001774600000000 ] - [ -0.0027675800000000, 0.0016320300000000, 0.0006191700000000 ] - [ -0.0007185600000000, -0.0012571000000000, 0.0006379400000000 ] - [ 0.0005657400000000, 0.0012158600000000, -0.0002330800000000 ] - [ -0.0001048000000000, -0.0008566600000000, 0.0002176900000000 ] - [ -0.0021958100000000, 0.0022904100000000, -0.0020981000000000 ] - [ 0.0001440500000000, -0.0010918200000000, -0.0016808700000000 ] - [ 0.0015520600000000, 0.0021233200000000, -0.0037159600000000 ] - [ -0.0003087800000000, -0.0013975800000000, 0.0000409400000000 ] - [ -0.0000224300000000, 0.0061183300000000, -0.0018004800000000 ] - [ 0.0001750800000000, -0.0027777700000000, 0.0006677300000000 ] - [ 0.0000957700000000, 0.0091329900000000, 0.0023431600000000 ] - [ -0.0000445200000000, -0.0037173000000000, -0.0010152100000000 ] - [ -0.0023364500000000, 0.0002164500000000, -0.0020164900000000 ] - [ 0.0013452100000000, -0.0027815900000000, 0.0014135800000000 ] - [ 0.0008794300000000, -0.0023384100000000, -0.0010115200000000 ] - [ -0.0029244800000000, -0.0033439900000000, -0.0002551900000000 ] - [ -0.0021540300000000, 0.0007806000000000, 0.0035591000000000 ] - [ 0.0019193700000000, -0.0025054100000000, -0.0014798500000000 ] - [ 0.0008097600000000, -0.0020054600000000, 0.0023310300000000 ] - [ -0.0022235300000000, -0.0033061200000000, 0.0015122800000000 ] - [ -0.0142383200000000, 0.0052956200000000, -0.0041233300000000 ] - [ 0.0013301300000000, -0.0015747200000000, 0.0005857300000000 ] - [ 0.0041173300000000, 0.0026792400000000, -0.0003171800000000 ] - [ -0.0011331600000000, -0.0014228500000000, 0.0001912000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0025774800000000, 0.0191097100000000, 0.0162200400000000 ] - [ -0.0004465600000000, -0.0015960800000000, 0.0005233900000000 ] - [ 0.0039508600000000, -0.0042875100000000, -0.0114940200000000 ] - [ 0.0000744600000000, -0.0010453800000000, -0.0000300400000000 ] - [ 0.0000948200000000, 0.0018426200000000, -0.0004254900000000 ] - [ 0.0000174600000000, -0.0008040000000000, 0.0003875800000000 ] - [ 0.0017118300000000, 0.0010351100000000, 0.0005673400000000 ] - [ 0.0004688800000000, -0.0013263900000000, 0.0002277000000000 ] - [ -0.0004703100000000, 0.0009703800000000, 0.0000501700000000 ] - [ -0.0002134700000000, -0.0003576700000000, -0.0002295700000000 ] - [ -0.0001961900000000, 0.0002239300000000, -0.0007358800000000 ] - [ -0.0002287600000000, -0.0008044500000000, -0.0004700500000000 ] - [ -0.0001985700000000, 0.0013573800000000, -0.0019779400000000 ] - [ 0.0005547000000000, -0.0015639000000000, -0.0005730500000000 ] - [ 0.0021859400000000, 0.0012286300000000, 0.0008841500000000 ] - [ -0.0001883000000000, -0.0010604400000000, 0.0000358500000000 ] - [ -0.0013903600000000, -0.0007811600000000, 0.0018603100000000 ] - [ 0.0021748200000000, -0.0022526100000000, 0.0017129200000000 ] - [ 0.0008391200000000, -0.0015475600000000, -0.0009485900000000 ] - [ -0.0031158400000000, -0.0031008800000000, -0.0021274100000000 ] - [ -0.0006437100000000, 0.0054323600000000, -0.0103464900000000 ] - [ 0.0000426800000000, -0.0015495000000000, 0.0003379800000000 ] - [ 0.0003885400000000, 0.0243199500000000, 0.0776898500000000 ] - [ 0.0002174500000000, -0.0008742300000000, 0.0003032300000000 ] - [ 0.0028997500000000, -0.0009049300000000, 0.0040610000000000 ] - [ -0.0005622700000000, 0.0000827500000000, 0.0006081900000000 ] - [ -0.0023335300000000, -0.0015012300000000, -0.0018553500000000 ] - [ 0.0002707000000000, -0.0005328800000000, 0.0000564500000000 ] - [ 0.0005068000000000, 0.0006066700000000, -0.0007099300000000 ] - [ 0.0000005100000000, -0.0010888100000000, -0.0001203200000000 ] - [ -0.0014048300000000, 0.0010819600000000, 0.0006792200000000 ] - [ 0.0000222900000000, -0.0006058600000000, 0.0001321300000000 ] - [ -0.0001302000000000, 0.0004081300000000, -0.0002205600000000 ] - [ 0.0002038700000000, -0.0000264700000000, -0.0001841700000000 ] - [ 0.0004863100000000, -0.0004031400000000, -0.0003860100000000 ] - [ 0.0000142800000000, -0.0006095800000000, -0.0004404800000000 ] - [ -0.0057653200000000, 0.0034983200000000, -0.0013325700000000 ] - [ 0.0000626600000000, -0.0014122100000000, -0.0004498900000000 ] - [ 0.0031449200000000, 0.0022085500000000, -0.0002919600000000 ] - [ -0.0003566500000000, -0.0007144700000000, -0.0001715700000000 ] - [ -0.0001960800000000, -0.0023268300000000, -0.0151179800000000 ] - [ -0.0004321600000000, 0.0004907400000000, -0.0004546800000000 ] - [ 0.0005997100000000, -0.0008758700000000, 0.0015604300000000 ] - [ 0.0000779400000000, 0.0002973600000000, -0.0003056500000000 ] - [ -0.0016179800000000, 0.0013557000000000, 0.0016840600000000 ] - [ -0.0005361000000000, 0.0011531200000000, 0.0009844600000000 ] - [ 0.0008879400000000, 0.0014653400000000, -0.0036125600000000 ] - [ -0.0003519700000000, 0.0010675700000000, -0.0011254100000000 ] - [ 0.0030141000000000, 0.0045163900000000, 0.0039011700000000 ] - [ -0.0000263700000000, 0.0002168700000000, 0.0003663600000000 ] - [ -0.0019613200000000, 0.0029717000000000, -0.0011025000000000 ] - [ -0.0002405700000000, 0.0010604200000000, -0.0006076000000000 ] - [ -0.0059655400000000, -0.0751439500000000, -0.0896880400000000 ] - [ -0.0000925300000000, 0.0012845400000000, 0.0003878100000000 ] - [ 0.0000928300000000, -0.0047648300000000, 0.0036331400000000 ] - [ -0.0001829600000000, 0.0005473200000000, -0.0000403900000000 ] - [ -0.0000150500000000, -0.0012750100000000, 0.0107718300000000 ] - [ 0.0000323300000000, 0.0004477300000000, 0.0007120500000000 ] - [ 0.0026872600000000, 0.0481884300000000, 0.0241412600000000 ] - [ -0.0000394000000000, 0.0002226400000000, 0.0011247300000000 ] - [ -0.0007715500000000, -0.0006814600000000, 0.0026319700000000 ] - [ -0.0000034600000000, 0.0003093400000000, -0.0001888200000000 ] - [ -0.0077233700000000, -0.0181933900000000, -0.0108394400000000 ] - [ 0.0002603900000000, 0.0004033800000000, -0.0003894800000000 ] - [ -0.0041696500000000, 0.0023211200000000, -0.0027104000000000 ] - [ -0.0000755800000000, 0.0001744100000000, -0.0003365800000000 ] - [ 0.0020250300000000, 0.0010958300000000, 0.0014371100000000 ] - [ -0.0002519500000000, 0.0000445100000000, -0.0002515100000000 ] - [ 0.0003454700000000, -0.0000944400000000, 0.0021327500000000 ] - [ -0.0001522900000000, 0.0002418600000000, 0.0010330100000000 ] - [ -0.0001404300000000, -0.0006070600000000, -0.0006714800000000 ] - [ 0.0001594700000000, 0.0000622300000000, 0.0007990800000000 ] - [ 0.0000063200000000, -0.0004557300000000, 0.0003409100000000 ] - [ 0.0005236300000000, 0.0004741900000000, 0.0002812000000000 ] - [ 0.0002116100000000, 0.0001319200000000, -0.0001733500000000 ] - [ -0.0004640100000000, 0.0014205300000000, -0.0001693900000000 ] - [ 0.0008258600000000, -0.0000257200000000, -0.0000228500000000 ] - [ 0.0003443600000000, 0.0009306900000000, -0.0003262100000000 ] - [ -0.0000722000000000, -0.0008323400000000, -0.0000134900000000 ] - [ 0.0000005100000000, -0.0000466900000000, 0.0001003000000000 ] - [ 0.0002704000000000, -0.0004839600000000, -0.0001862800000000 ] - [ 0.0006134800000000, 0.0002007100000000, -0.0000893700000000 ] - [ 0.0009234600000000, -0.0000455600000000, -0.0006661800000000 ] - [ 0.0002805700000000, 0.0005853100000000, -0.0006118900000000 ] - [ -0.0009859500000000, -0.0000482700000000, -0.0007271800000000 ] - [ 0.0004380000000000, 0.0002262500000000, -0.0004538700000000 ] - [ 0.0009961100000000, -0.0001568100000000, -0.0001299700000000 ] - [ -0.0000930800000000, 0.0000539000000000, -0.0002847200000000 ] - [ -0.0000000100000000, -0.0000655600000000, 0.0003349800000000 ] - [ -0.0002377300000000, 0.0002534000000000, 0.0003645800000000 ] - [ -0.0005778800000000, -0.0002876200000000, 0.0004311000000000 ] - [ -0.0001329300000000, 0.0000446200000000, 0.0003881400000000 ] - [ -0.0003473700000000, -0.0000120100000000, 0.0002093000000000 ] - [ -0.0003549300000000, 0.0004865600000000, 0.0004857400000000 ] - [ -0.0003412300000000, -0.0005613000000000, 0.0006416000000000 ] - [ -0.0005593400000000, 0.0001186400000000, 0.0001997000000000 ] - [ 0.0003886100000000, -0.0003264600000000, -0.0005125800000000 ] - [ -0.0003041800000000, 0.0008523000000000, 0.0002315000000000 ] - [ -0.0005282500000000, -0.0011245400000000, 0.0006261600000000 ] - [ -0.0000572700000000, -0.0001354600000000, 0.0000009000000000 ] - [ -0.0001056600000000, -0.0002603900000000, -0.0001491100000000 ] - [ -0.0002127000000000, -0.0002465300000000, -0.0001147300000000 ] - [ -0.0001369300000000, 0.0005574100000000, -0.0002102500000000 ] - [ -0.0000841200000000, 0.0004212800000000, -0.0002087300000000 ] - [ 0.0000319800000000, -0.0001603600000000, -0.0010223500000000 ] - [ -0.0000451200000000, 0.0000353900000000, -0.0010704300000000 ] - [ -0.0000507900000000, 0.0000963000000000, -0.0008088200000000 ] - [ 0.0000570100000000, 0.0002365300000000, -0.0007660300000000 ] - [ 0.0003081900000000, -0.0000245400000000, 0.0003793300000000 ] - [ 0.0000861000000000, 0.0001719300000000, 0.0002940400000000 ] - [ -0.0002142300000000, -0.0000269100000000, 0.0001190200000000 ] - [ 0.0002353100000000, 0.0000553000000000, 0.0002922200000000 ] - [ 0.0014499100000000, -0.0002894700000000, -0.0001655800000000 ] - [ -0.0000797200000000, 0.0002099700000000, 0.0002414200000000 ] - [ -0.0011120000000000, -0.0000469700000000, 0.0006049000000000 ] - [ -0.0001659400000000, 0.0002862900000000, 0.0003289400000000 ] - [ 0.0008418800000000, -0.0003376200000000, 0.0002030800000000 ] - [ -0.0000587900000000, 0.0004327000000000, -0.0006591600000000 ] - [ -0.0005863100000000, -0.0003484500000000, -0.0011394700000000 ] - [ 0.0000750800000000, 0.0002058100000000, -0.0011739300000000 ] - [ -0.0003011200000000, -0.0012467700000000, 0.0004526300000000 ] - [ 0.0001122300000000, 0.0011979400000000, -0.0003876000000000 ] - [ 0.0006904300000000, -0.0028531700000000, -0.0007237100000000 ] - [ 0.0001698700000000, 0.0004657700000000, 0.0000401100000000 ] - [ 0.0011368400000000, -0.0007540900000000, 0.0010573600000000 ] - [ -0.0002586600000000, 0.0001985400000000, -0.0000100000000000 ] - [ -0.0003819000000000, 0.0004195900000000, -0.0003853800000000 ] - [ 0.0005673900000000, 0.0009862700000000, 0.0000222200000000 ] - [ 0.0010114100000000, -0.0002612200000000, -0.0003598800000000 ] - [ -0.0003714800000000, 0.0012072200000000, 0.0007199800000000 ] - [ 0.0000345400000000, -0.0001003600000000, 0.0005065600000000 ] - [ 0.0014178500000000, 0.0009303900000000, -0.0000971400000000 ] - [ 0.0070130600000000, -0.0009369100000000, 0.0020086500000000 ] - [ -0.0001283700000000, 0.0002839500000000, 0.0003196000000000 ] - [ -0.0027243400000000, -0.0007833000000000, 0.0004732600000000 ] - [ 0.0005101300000000, 0.0004766700000000, 0.0004453400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0031095900000000, -0.0202147000000000, -0.0156742600000000 ] - [ 0.0000066700000000, 0.0011168500000000, 0.0001569200000000 ] - [ -0.0043835300000000, 0.0047640500000000, 0.0122001100000000 ] - [ -0.0005168000000000, 0.0015721600000000, 0.0007151700000000 ] - [ 0.0003219900000000, -0.0013525100000000, 0.0011061400000000 ] - [ 0.0004240200000000, 0.0013236500000000, 0.0002971200000000 ] - [ -0.0011711300000000, -0.0015274000000000, 0.0000901900000000 ] - [ -0.0000343600000000, 0.0008418400000000, 0.0004573100000000 ] - [ 0.0000311700000000, -0.0004813700000000, -0.0007329900000000 ] - [ -0.0002216600000000, 0.0008752800000000, -0.0004534700000000 ] - [ -0.0002412000000000, -0.0007387400000000, 0.0000503600000000 ] - [ -0.0002106400000000, 0.0003115400000000, -0.0002123200000000 ] - [ 0.0006573900000000, -0.0018764100000000, 0.0013045400000000 ] - [ -0.0001186700000000, 0.0010771100000000, -0.0001095300000000 ] - [ -0.0018665800000000, -0.0007149600000000, -0.0015960100000000 ] - [ 0.0006332800000000, 0.0015881500000000, -0.0007228100000000 ] - [ 0.0014109400000000, 0.0012950900000000, -0.0018774400000000 ] - [ -0.0021659300000000, 0.0027677200000000, -0.0016939900000000 ] - [ -0.0008341900000000, 0.0010789200000000, 0.0009230500000000 ] - [ 0.0031453700000000, 0.0026482300000000, 0.0021501900000000 ] - [ 0.0009085400000000, -0.0061635200000000, 0.0110511000000000 ] - [ 0.0002056400000000, 0.0008998700000000, 0.0002742300000000 ] - [ -0.0001340600000000, -0.0249454200000000, -0.0775886100000000 ] - [ 0.0000314400000000, 0.0015633100000000, 0.0003103600000000 ] - [ -0.0031937700000000, 0.0015944900000000, -0.0034800300000000 ] - [ 0.0003170800000000, 0.0006156000000000, 0.0000113200000000 ] - [ 0.0020888800000000, 0.0008368300000000, 0.0024487100000000 ] - [ -0.0005261100000000, -0.0001272700000000, 0.0005602300000000 ] - [ -0.0005042800000000, -0.0011257500000000, 0.0007007000000000 ] - [ -0.0000010900000000, 0.0006189000000000, 0.0001203900000000 ] - [ 0.0014146200000000, -0.0006306100000000, -0.0006627300000000 ] - [ -0.0000232500000000, 0.0011089600000000, -0.0001341700000000 ] - [ 0.0003804900000000, 0.0002612000000000, -0.0003930200000000 ] - [ 0.0000426200000000, 0.0006992800000000, -0.0004299700000000 ] - [ -0.0002367900000000, -0.0002544400000000, -0.0002411200000000 ] - [ 0.0002333000000000, -0.0000549900000000, -0.0001726400000000 ] - [ 0.0055829200000000, -0.0042419300000000, 0.0007237700000000 ] - [ -0.0003128300000000, 0.0007609300000000, -0.0001636600000000 ] - [ -0.0033942900000000, -0.0015719100000000, -0.0002977900000000 ] - [ 0.0001119200000000, 0.0013996100000000, -0.0004450500000000 ] - [ -0.0001063000000000, 0.0023142500000000, 0.0143733600000000 ] - [ 0.0000533800000000, -0.0002988800000000, -0.0002977400000000 ] - [ -0.0010079400000000, 0.0006795100000000, -0.0023316300000000 ] - [ -0.0004696100000000, -0.0005012500000000, -0.0004476600000000 ] - [ 0.0007227000000000, -0.0017482000000000, -0.0023909800000000 ] - [ -0.0003525300000000, -0.0015670100000000, -0.0017153300000000 ] - [ -0.0017924900000000, -0.0010830500000000, 0.0029311900000000 ] - [ -0.0005443400000000, -0.0006773200000000, 0.0004122400000000 ] - [ -0.0033803800000000, -0.0055352200000000, -0.0041567900000000 ] - [ -0.0003126700000000, -0.0011821200000000, -0.0005761800000000 ] - [ 0.0016207900000000, -0.0020108000000000, 0.0008809200000000 ] - [ -0.0000916900000000, -0.0001147900000000, 0.0004038500000000 ] - [ 0.0055743300000000, 0.0773106100000000, 0.0903665800000000 ] - [ -0.0001796600000000, -0.0005812300000000, -0.0000516600000000 ] - [ -0.0003691800000000, 0.0040869200000000, -0.0033153100000000 ] - [ -0.0000889100000000, -0.0012763900000000, 0.0003849100000000 ] - [ 0.0000187400000000, 0.0014920800000000, -0.0090464400000000 ] - [ -0.0000334400000000, -0.0002362900000000, 0.0011501100000000 ] - [ -0.0025318000000000, -0.0476469300000000, -0.0218895800000000 ] - [ 0.0000419300000000, -0.0004424100000000, 0.0007283300000000 ] - [ 0.0010784200000000, 0.0005818500000000, -0.0032511400000000 ] - [ 0.0002955100000000, -0.0004136800000000, -0.0004073200000000 ] - [ 0.0080257700000000, 0.0182374900000000, 0.0103276600000000 ] - [ 0.0000276400000000, -0.0003082700000000, -0.0002006700000000 ] - [ 0.0039255400000000, -0.0022467300000000, 0.0021468700000000 ] - [ -0.0002208400000000, -0.0000783400000000, -0.0002589600000000 ] - [ -0.0023187800000000, -0.0011943000000000, -0.0020280900000000 ] - [ -0.0000414500000000, -0.0001468000000000, -0.0003426400000000 ] - [ -0.0003516500000000, 0.0003044300000000, -0.0002548700000000 ] - [ 0.0001489200000000, -0.0000282500000000, 0.0008249300000000 ] - [ 0.0001454700000000, 0.0003891600000000, 0.0025385000000000 ] - [ -0.0001653900000000, -0.0002827400000000, 0.0010517400000000 ] - [ 0.0002646600000000, -0.0002638400000000, -0.0000011100000000 ] - [ -0.0002558000000000, -0.0011957100000000, 0.0000655900000000 ] - [ 0.0000530400000000, 0.0005587400000000, 0.0005053700000000 ] - [ 0.0007413400000000, -0.0007183600000000, 0.0005100000000000 ] - [ -0.0004870400000000, 0.0009960100000000, -0.0001981700000000 ] - [ -0.0000149100000000, 0.0000233200000000, 0.0001161300000000 ] - [ 0.0003975300000000, -0.0001064000000000, -0.0001858400000000 ] - [ 0.0003340200000000, -0.0009175200000000, -0.0003160000000000 ] - [ 0.0006286300000000, 0.0000957100000000, -0.0005189900000000 ] - [ 0.0002713900000000, -0.0006047100000000, -0.0006309000000000 ] - [ -0.0000499500000000, 0.0004635600000000, -0.0000699600000000 ] - [ 0.0006105000000000, -0.0001916000000000, -0.0000994600000000 ] - [ 0.0013897100000000, 0.0002466500000000, -0.0000238100000000 ] - [ -0.0000547300000000, -0.0000353500000000, -0.0002993700000000 ] - [ -0.0006129100000000, -0.0000395800000000, -0.0006173900000000 ] - [ 0.0004844400000000, -0.0002548300000000, -0.0004698300000000 ] - [ -0.0003828600000000, 0.0002622300000000, 0.0004166700000000 ] - [ -0.0001437600000000, -0.0000581700000000, 0.0003863200000000 ] - [ 0.0001789000000000, 0.0000837100000000, 0.0003268900000000 ] - [ -0.0002567200000000, -0.0002432400000000, 0.0003642100000000 ] - [ -0.0005388200000000, 0.0004169200000000, 0.0005042100000000 ] - [ -0.0005372400000000, -0.0000906200000000, 0.0002267000000000 ] - [ -0.0005523100000000, 0.0001716200000000, 0.0000690600000000 ] - [ -0.0003264400000000, -0.0005235700000000, 0.0005189700000000 ] - [ -0.0007245600000000, 0.0012959900000000, 0.0007266900000000 ] - [ -0.0000272000000000, 0.0001011200000000, -0.0000221600000000 ] - [ 0.0001982100000000, 0.0001742500000000, -0.0004153500000000 ] - [ -0.0002766100000000, -0.0008266400000000, 0.0002125000000000 ] - [ -0.0001641000000000, -0.0004533100000000, -0.0001915400000000 ] - [ -0.0000540900000000, -0.0004757400000000, -0.0002246300000000 ] - [ -0.0001295000000000, 0.0001599400000000, -0.0001320100000000 ] - [ -0.0001867300000000, 0.0002963900000000, -0.0001313700000000 ] - [ -0.0000296600000000, -0.0000536000000000, -0.0008355200000000 ] - [ 0.0000512300000000, -0.0002544100000000, -0.0007872100000000 ] - [ 0.0000572200000000, 0.0001197500000000, -0.0010438500000000 ] - [ -0.0000536400000000, -0.0000213300000000, -0.0010967000000000 ] - [ -0.0000204500000000, 0.0001227700000000, 0.0002097700000000 ] - [ 0.0002106900000000, -0.0000740200000000, 0.0002986000000000 ] - [ 0.0005275600000000, -0.0000815100000000, 0.0004864600000000 ] - [ 0.0000583300000000, -0.0001564900000000, 0.0003027200000000 ] - [ -0.0017591200000000, 0.0001970800000000, 0.0007631300000000 ] - [ -0.0002118500000000, -0.0003174600000000, 0.0003514600000000 ] - [ 0.0008212100000000, 0.0001526600000000, -0.0000156800000000 ] - [ -0.0001231600000000, -0.0001894300000000, 0.0002640800000000 ] - [ -0.0008550700000000, 0.0005631500000000, -0.0020663700000000 ] - [ 0.0000600500000000, -0.0002239500000000, -0.0012005300000000 ] - [ 0.0005904700000000, 0.0001446800000000, -0.0007415300000000 ] - [ -0.0000758300000000, -0.0004275400000000, -0.0006756300000000 ] - [ 0.0005686300000000, 0.0019869000000000, -0.0008033000000000 ] - [ 0.0001615600000000, -0.0004925300000000, 0.0000507500000000 ] - [ -0.0004196300000000, 0.0021880000000000, 0.0003988900000000 ] - [ 0.0001021800000000, -0.0012004800000000, -0.0003863900000000 ] - [ -0.0008109700000000, -0.0002044700000000, -0.0008557400000000 ] - [ 0.0005971900000000, -0.0011652400000000, 0.0002301600000000 ] - [ 0.0007141800000000, 0.0005204600000000, 0.0005840900000000 ] - [ -0.0002378100000000, -0.0000359500000000, 0.0001893000000000 ] - [ -0.0001301300000000, 0.0006604300000000, 0.0010848500000000 ] - [ 0.0012639100000000, -0.0008170500000000, -0.0000129400000000 ] - [ 0.0008548400000000, -0.0003076300000000, 0.0002252600000000 ] - [ -0.0005387400000000, -0.0013426500000000, 0.0008153200000000 ] - [ -0.0067209600000000, 0.0007528400000000, -0.0012752100000000 ] - [ 0.0005181600000000, -0.0004888800000000, 0.0004329400000000 ] - [ 0.0031122500000000, 0.0009901300000000, 0.0002717900000000 ] - [ -0.0001263200000000, -0.0002842100000000, 0.0003071200000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0113674800000000, 0.0076788000000000, -0.0143696000000000 ] - [ 0.0000525200000000, -0.0002633400000000, 0.0003376600000000 ] - [ 0.0007956600000000, 0.0009614200000000, 0.0001384100000000 ] - [ 0.0009459700000000, -0.0003071100000000, 0.0002783800000000 ] - [ -0.0063970700000000, 0.0028850600000000, 0.0035624700000000 ] - [ 0.0002794600000000, 0.0001078400000000, 0.0003745800000000 ] - [ 0.0001498100000000, -0.0020756000000000, -0.0004389400000000 ] - [ 0.0001075000000000, 0.0005584100000000, 0.0002236700000000 ] - [ -0.0029321800000000, 0.0005506300000000, -0.0006028600000000 ] - [ -0.0004673500000000, 0.0001969400000000, -0.0003461100000000 ] - [ -0.0016016500000000, -0.0009045100000000, 0.0000144300000000 ] - [ -0.0010615900000000, -0.0001753000000000, -0.0002510100000000 ] - [ -0.0093878700000000, -0.0041131800000000, -0.0020345700000000 ] - [ 0.0001192500000000, -0.0002598000000000, -0.0003285000000000 ] - [ 0.0003512100000000, 0.0015182400000000, -0.0000952800000000 ] - [ -0.0002419900000000, -0.0006730400000000, -0.0001836800000000 ] - [ 0.0015269000000000, -0.0021482200000000, -0.0008468900000000 ] - [ 0.0001789600000000, 0.0005091900000000, 0.0000388000000000 ] - [ 0.0002570500000000, 0.0001544500000000, -0.0000768700000000 ] - [ 0.0005499800000000, -0.0032873500000000, 0.0001174400000000 ] - [ 0.0918114300000000, -0.0160752000000000, 0.0684583400000000 ] - [ 0.0003620200000000, -0.0004748900000000, 0.0002701500000000 ] - [ 0.0024194600000000, 0.0005366400000000, -0.0004909900000000 ] - [ 0.0007961000000000, 0.0002261400000000, 0.0001708200000000 ] - [ -0.0012635000000000, 0.0015671900000000, 0.0010523500000000 ] - [ -0.0000213000000000, -0.0001591800000000, 0.0003214300000000 ] - [ 0.0001626200000000, -0.0008680700000000, 0.0009379500000000 ] - [ 0.0000052700000000, 0.0028494600000000, 0.0003407700000000 ] - [ -0.0047281000000000, -0.0017315800000000, -0.0013846800000000 ] - [ -0.0001813100000000, -0.0001064100000000, 0.0000386500000000 ] - [ -0.0016891800000000, -0.0005846000000000, 0.0005858600000000 ] - [ -0.0001689600000000, 0.0003916900000000, -0.0000516300000000 ] - [ -0.0029934100000000, 0.0001206500000000, -0.0009465700000000 ] - [ -0.0001355500000000, 0.0002150500000000, -0.0003375000000000 ] - [ -0.0009033600000000, -0.0004442900000000, -0.0005229900000000 ] - [ -0.0008268400000000, -0.0002424300000000, -0.0003873300000000 ] - [ -0.0057162100000000, 0.0020604200000000, 0.0007084400000000 ] - [ -0.0002368900000000, -0.0006556800000000, -0.0002748500000000 ] - [ -0.0008756800000000, 0.0035025700000000, -0.0005904400000000 ] - [ -0.0003961100000000, 0.0000872400000000, -0.0001203200000000 ] - [ -0.0012120300000000, 0.0001692300000000, -0.0005569200000000 ] - [ -0.0005919300000000, 0.0003171600000000, -0.0004461900000000 ] - [ 0.0150289700000000, 0.0018398900000000, 0.0372368300000000 ] - [ -0.0003023100000000, -0.0001090600000000, -0.0003943700000000 ] - [ -0.0005655900000000, -0.0003208100000000, -0.0003911700000000 ] - [ -0.0011519300000000, 0.0007284600000000, 0.0003139500000000 ] - [ -0.0003690100000000, 0.0011116600000000, -0.0010511900000000 ] - [ -0.0005481100000000, 0.0000935000000000, -0.0002788500000000 ] - [ -0.0003969700000000, 0.0017783600000000, -0.0003172500000000 ] - [ -0.0003196200000000, -0.0006199300000000, -0.0001720900000000 ] - [ -0.0002568200000000, 0.0003665100000000, -0.0000503800000000 ] - [ -0.0009325000000000, 0.0013265100000000, -0.0004197000000000 ] - [ -0.0013284200000000, -0.0002878900000000, 0.0001702100000000 ] - [ -0.0002481200000000, 0.0004268600000000, 0.0002087300000000 ] - [ -0.0133866900000000, -0.0005019200000000, 0.0028538400000000 ] - [ -0.0002406200000000, -0.0002075800000000, 0.0001350600000000 ] - [ -0.0911059900000000, 0.0075984500000000, -0.0608307200000000 ] - [ -0.0000634700000000, 0.0001359900000000, 0.0009214000000000 ] - [ -0.0004565200000000, -0.0000641400000000, 0.0012676100000000 ] - [ -0.0001717100000000, -0.0000393800000000, 0.0010140200000000 ] - [ -0.0044153400000000, -0.0026264800000000, -0.0304666900000000 ] - [ -0.0000341800000000, 0.0000417400000000, -0.0002276200000000 ] - [ -0.0009118600000000, -0.0000087100000000, 0.0005650800000000 ] - [ -0.0002666800000000, -0.0000964700000000, -0.0001378400000000 ] - [ -0.0010331200000000, -0.0006162400000000, 0.0008335100000000 ] - [ -0.0003395500000000, 0.0002012200000000, -0.0003732000000000 ] - [ -0.0005747200000000, -0.0001007600000000, -0.0005127900000000 ] - [ -0.0010016300000000, -0.0008334800000000, -0.0006619800000000 ] - [ -0.0000298000000000, 0.0004653700000000, 0.0005480100000000 ] - [ -0.0000274700000000, -0.0005491600000000, 0.0012671900000000 ] - [ 0.0003249700000000, -0.0007881300000000, 0.0000011300000000 ] - [ -0.0000326300000000, -0.0000035500000000, 0.0009843400000000 ] - [ 0.0003568500000000, -0.0026904700000000, 0.0003155100000000 ] - [ 0.0000983700000000, -0.0000745300000000, 0.0000112000000000 ] - [ 0.0000844700000000, 0.0008510300000000, 0.0003261400000000 ] - [ 0.0003511700000000, -0.0006283400000000, -0.0001722500000000 ] - [ 0.0011548000000000, 0.0014327900000000, -0.0009856100000000 ] - [ 0.0001831200000000, 0.0004600200000000, -0.0001003600000000 ] - [ 0.0015314300000000, 0.0003232200000000, 0.0002707700000000 ] - [ 0.0002745900000000, -0.0006462100000000, -0.0001859200000000 ] - [ 0.0029291700000000, 0.0008615300000000, 0.0002727100000000 ] - [ 0.0004560300000000, -0.0002240500000000, -0.0003779800000000 ] - [ 0.0006746100000000, 0.0004509000000000, -0.0003753100000000 ] - [ 0.0005338000000000, 0.0000565900000000, -0.0002432700000000 ] - [ 0.0009644300000000, 0.0000781100000000, -0.0005530600000000 ] - [ 0.0002706300000000, 0.0002049800000000, -0.0003929400000000 ] - [ 0.0001870700000000, 0.0000873300000000, -0.0004765500000000 ] - [ 0.0009002900000000, -0.0008579800000000, -0.0005050800000000 ] - [ 0.0021986400000000, -0.0006468200000000, 0.0000176700000000 ] - [ -0.0000762900000000, 0.0000948100000000, 0.0003604300000000 ] - [ 0.0004555000000000, 0.0002279500000000, 0.0003339500000000 ] - [ 0.0003229900000000, -0.0000316500000000, 0.0003173700000000 ] - [ 0.0001517500000000, 0.0006512000000000, 0.0005829500000000 ] - [ -0.0003480300000000, 0.0001842500000000, 0.0003758700000000 ] - [ 0.0009578300000000, -0.0008108900000000, 0.0015134800000000 ] - [ -0.0003611100000000, -0.0002559800000000, 0.0003997600000000 ] - [ 0.0005442700000000, 0.0002295200000000, -0.0002221000000000 ] - [ -0.0000811500000000, 0.0004230900000000, 0.0000832200000000 ] - [ 0.0012968300000000, 0.0007100500000000, -0.0004694400000000 ] - [ -0.0000699800000000, -0.0004960000000000, 0.0000905800000000 ] - [ 0.0002058100000000, -0.0004792600000000, -0.0002060300000000 ] - [ 0.0000271000000000, -0.0002874700000000, -0.0001258200000000 ] - [ -0.0000156300000000, 0.0005157300000000, -0.0002305000000000 ] - [ 0.0004062200000000, 0.0005071200000000, -0.0001203900000000 ] - [ 0.0006560200000000, -0.0001253500000000, -0.0007368000000000 ] - [ 0.0000660100000000, -0.0000854000000000, -0.0009387300000000 ] - [ 0.0002474400000000, 0.0001919400000000, -0.0008351700000000 ] - [ 0.0002462500000000, 0.0001247600000000, -0.0009106000000000 ] - [ 0.0027255900000000, 0.0009574500000000, 0.0013627800000000 ] - [ 0.0003150200000000, 0.0001249200000000, 0.0003623200000000 ] - [ 0.0007321500000000, -0.0002925400000000, 0.0005204500000000 ] - [ 0.0006570200000000, -0.0001712000000000, 0.0004743800000000 ] - [ 0.0026225800000000, 0.0003828900000000, -0.0006937100000000 ] - [ 0.0000290600000000, 0.0000634000000000, 0.0002261900000000 ] - [ 0.0008727400000000, -0.0007614600000000, -0.0001286600000000 ] - [ 0.0001258400000000, 0.0000301200000000, 0.0001983500000000 ] - [ 0.0013678700000000, -0.0003037300000000, -0.0017804100000000 ] - [ 0.0000329000000000, 0.0001681500000000, -0.0009057700000000 ] - [ 0.0001108900000000, -0.0007260300000000, -0.0004937800000000 ] - [ 0.0000824600000000, 0.0000317900000000, -0.0011021000000000 ] - [ 0.0012179100000000, -0.0018330400000000, 0.0006722000000000 ] - [ 0.0001749100000000, 0.0005067500000000, -0.0002342300000000 ] - [ 0.0006832500000000, -0.0019082800000000, -0.0007639400000000 ] - [ 0.0001920100000000, -0.0000547200000000, -0.0001004700000000 ] - [ -0.0001423500000000, 0.0013335400000000, -0.0007013700000000 ] - [ 0.0001739700000000, -0.0005848700000000, 0.0001540500000000 ] - [ 0.0000094200000000, 0.0002250300000000, -0.0000292700000000 ] - [ 0.0003397200000000, 0.0013873600000000, 0.0005680500000000 ] - [ 0.0000651200000000, 0.0019245400000000, 0.0018900700000000 ] - [ 0.0004386300000000, 0.0001347600000000, 0.0003145900000000 ] - [ 0.0002915900000000, -0.0004900900000000, 0.0005297900000000 ] - [ 0.0007966700000000, 0.0006626300000000, -0.0002082700000000 ] - [ 0.0050876000000000, -0.0006665700000000, -0.0016828800000000 ] - [ 0.0001654000000000, -0.0000413100000000, 0.0003714600000000 ] - [ -0.0002817100000000, -0.0006228400000000, 0.0003629300000000 ] - [ 0.0002813100000000, 0.0002413400000000, 0.0003886200000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0116540900000000, -0.0081752600000000, 0.0150689100000000 ] - [ -0.0004863500000000, -0.0002359500000000, 0.0003434300000000 ] - [ -0.0012444800000000, -0.0003938300000000, 0.0005051300000000 ] - [ -0.0013835600000000, 0.0008155800000000, 0.0004030500000000 ] - [ 0.0069062100000000, -0.0024073600000000, -0.0028717200000000 ] - [ 0.0001560100000000, 0.0004022700000000, 0.0003054500000000 ] - [ 0.0002829200000000, 0.0015598000000000, 0.0011171500000000 ] - [ 0.0003261800000000, -0.0010598600000000, 0.0004573800000000 ] - [ 0.0025034500000000, -0.0000465600000000, -0.0000850000000000 ] - [ 0.0000337100000000, 0.0003070900000000, -0.0003363400000000 ] - [ 0.0011680300000000, 0.0003950500000000, -0.0006904400000000 ] - [ 0.0006290800000000, -0.0003262600000000, -0.0004288400000000 ] - [ 0.0098368800000000, 0.0036088900000000, 0.0013561100000000 ] - [ 0.0003138100000000, -0.0002397100000000, -0.0003529100000000 ] - [ 0.0000806400000000, -0.0010237000000000, -0.0005894900000000 ] - [ 0.0006786800000000, 0.0011847100000000, -0.0004984900000000 ] - [ -0.0015264300000000, 0.0026377300000000, 0.0008447700000000 ] - [ -0.0001892000000000, -0.0000227500000000, -0.0000457500000000 ] - [ -0.0002666600000000, -0.0006249700000000, 0.0000876400000000 ] - [ -0.0005425000000000, 0.0028188100000000, -0.0001095400000000 ] - [ -0.0907271100000000, 0.0153311300000000, -0.0672890600000000 ] - [ -0.0001135700000000, -0.0001907600000000, 0.0003456800000000 ] - [ -0.0021706000000000, 0.0001002200000000, 0.0010686200000000 ] - [ -0.0005484100000000, 0.0004485800000000, 0.0004440700000000 ] - [ 0.0010116400000000, -0.0008938900000000, -0.0004621300000000 ] - [ -0.0002266000000000, 0.0008285500000000, 0.0002925600000000 ] - [ -0.0003976900000000, 0.0002044600000000, -0.0003087000000000 ] - [ -0.0002554200000000, -0.0035243900000000, 0.0002788100000000 ] - [ 0.0047097000000000, 0.0012472900000000, 0.0013882100000000 ] - [ 0.0001820300000000, -0.0003698400000000, -0.0000380800000000 ] - [ 0.0016982300000000, 0.0010696800000000, -0.0005969000000000 ] - [ 0.0001692500000000, 0.0000904400000000, 0.0000513700000000 ] - [ 0.0032529700000000, 0.0005482200000000, 0.0003286200000000 ] - [ 0.0003844100000000, 0.0004555000000000, -0.0002792600000000 ] - [ 0.0011517400000000, -0.0002281200000000, -0.0000917600000000 ] - [ 0.0010775400000000, -0.0004238200000000, -0.0002280800000000 ] - [ 0.0055076100000000, -0.0027544200000000, -0.0013077400000000 ] - [ -0.0000122700000000, -0.0000105100000000, -0.0003393100000000 ] - [ 0.0006064800000000, -0.0028466300000000, -0.0000313100000000 ] - [ 0.0001494300000000, 0.0005878400000000, -0.0004954900000000 ] - [ 0.0008237900000000, 0.0000348200000000, -0.0001915900000000 ] - [ 0.0002119200000000, -0.0001202800000000, -0.0003071300000000 ] - [ -0.0157896700000000, -0.0021771400000000, -0.0387452500000000 ] - [ -0.0000813400000000, -0.0000889700000000, -0.0003587600000000 ] - [ -0.0003142400000000, -0.0000883700000000, -0.0003404700000000 ] - [ 0.0002669700000000, -0.0011307600000000, -0.0010380100000000 ] - [ -0.0005176500000000, -0.0007210100000000, 0.0003442500000000 ] - [ -0.0003387600000000, 0.0003044900000000, -0.0004378900000000 ] - [ 0.0000593400000000, -0.0027616900000000, 0.0000970200000000 ] - [ -0.0000152800000000, -0.0003384300000000, -0.0000422400000000 ] - [ -0.0000688700000000, 0.0005790000000000, -0.0001494200000000 ] - [ 0.0006026700000000, -0.0003746900000000, 0.0002127200000000 ] - [ 0.0010539400000000, 0.0010200200000000, 0.0001935100000000 ] - [ -0.0000229300000000, 0.0002856600000000, 0.0001316000000000 ] - [ 0.0132128700000000, -0.0002604900000000, -0.0023743200000000 ] - [ -0.0000300100000000, -0.0005079700000000, 0.0002072600000000 ] - [ 0.0904730300000000, -0.0070797100000000, 0.0627732500000000 ] - [ 0.0000637700000000, 0.0000801700000000, 0.0009384000000000 ] - [ 0.0004560600000000, -0.0001416300000000, 0.0006217300000000 ] - [ 0.0001736900000000, -0.0001756400000000, 0.0008447700000000 ] - [ 0.0046197600000000, 0.0024496500000000, 0.0297899100000000 ] - [ 0.0003294700000000, -0.0001450200000000, -0.0003708800000000 ] - [ 0.0012055800000000, 0.0001198400000000, -0.0011528600000000 ] - [ 0.0005606400000000, 0.0001994500000000, -0.0004566800000000 ] - [ 0.0007418200000000, 0.0007109100000000, -0.0014192800000000 ] - [ 0.0000357700000000, -0.0000944100000000, -0.0002260700000000 ] - [ 0.0002586300000000, -0.0000110500000000, -0.0000927700000000 ] - [ 0.0007052500000000, 0.0007321700000000, 0.0000661600000000 ] - [ 0.0000237900000000, -0.0002479200000000, 0.0013056800000000 ] - [ 0.0000229300000000, 0.0007654100000000, 0.0005881800000000 ] - [ -0.0003307800000000, 0.0005762000000000, 0.0018735500000000 ] - [ 0.0000262100000000, -0.0002085100000000, 0.0008772400000000 ] - [ -0.0000895000000000, 0.0019818200000000, 0.0000180600000000 ] - [ 0.0001670600000000, -0.0006394500000000, 0.0003277600000000 ] - [ 0.0001828500000000, -0.0001385100000000, 0.0000142200000000 ] - [ -0.0000843700000000, 0.0013423000000000, 0.0005166700000000 ] - [ -0.0008326300000000, -0.0004870700000000, 0.0007816600000000 ] - [ 0.0001454100000000, 0.0004983500000000, -0.0001110900000000 ] - [ -0.0011883400000000, -0.0012773000000000, -0.0004825200000000 ] - [ 0.0000554400000000, -0.0003107000000000, -0.0000271800000000 ] - [ -0.0020326800000000, -0.0012651800000000, -0.0010064000000000 ] - [ 0.0004258200000000, -0.0001757300000000, -0.0003438200000000 ] - [ 0.0002116100000000, -0.0000518200000000, -0.0003427200000000 ] - [ 0.0003498900000000, 0.0003422500000000, -0.0004742000000000 ] - [ -0.0005855400000000, 0.0001148800000000, -0.0001931600000000 ] - [ 0.0001117300000000, -0.0000070000000000, -0.0003594800000000 ] - [ 0.0001910100000000, -0.0002828200000000, -0.0002774200000000 ] - [ -0.0005208800000000, 0.0006634400000000, -0.0002471200000000 ] - [ -0.0025921300000000, 0.0008465500000000, 0.0007362100000000 ] - [ -0.0003048800000000, 0.0001032600000000, 0.0003923800000000 ] - [ -0.0008343900000000, -0.0004244600000000, 0.0004183000000000 ] - [ -0.0007054400000000, -0.0001646300000000, 0.0004345000000000 ] - [ -0.0010345100000000, -0.0002540700000000, 0.0001370200000000 ] - [ -0.0005394200000000, 0.0002144700000000, 0.0003427500000000 ] - [ -0.0018396200000000, 0.0004103200000000, -0.0007944100000000 ] - [ -0.0005230100000000, -0.0001441600000000, 0.0003210400000000 ] - [ -0.0008780200000000, 0.0007291000000000, 0.0004394600000000 ] - [ -0.0002506200000000, 0.0005363300000000, 0.0001301700000000 ] - [ -0.0016196900000000, -0.0016614900000000, 0.0006770600000000 ] - [ -0.0002612600000000, -0.0004595900000000, 0.0001206000000000 ] - [ -0.0004722300000000, -0.0002341000000000, -0.0001342100000000 ] - [ -0.0002923200000000, -0.0004218100000000, -0.0002132300000000 ] - [ -0.0002487900000000, 0.0001962100000000, -0.0001103300000000 ] - [ -0.0006757600000000, 0.0002079200000000, -0.0002196800000000 ] - [ -0.0006524400000000, -0.0000902400000000, -0.0011192000000000 ] - [ -0.0000595000000000, -0.0001307300000000, -0.0009214400000000 ] - [ -0.0002401000000000, 0.0000218700000000, -0.0010262300000000 ] - [ -0.0002416600000000, 0.0000908900000000, -0.0009500600000000 ] - [ -0.0024324200000000, -0.0008557200000000, -0.0007695200000000 ] - [ -0.0000127600000000, -0.0000223700000000, 0.0002358500000000 ] - [ -0.0004299300000000, 0.0001885200000000, 0.0000783900000000 ] - [ -0.0003565100000000, 0.0000688100000000, 0.0001223300000000 ] - [ -0.0029344200000000, -0.0004871400000000, 0.0012916000000000 ] - [ -0.0003214800000000, -0.0001684600000000, 0.0003685200000000 ] - [ -0.0011637900000000, 0.0008674100000000, 0.0007262700000000 ] - [ -0.0004190400000000, 0.0000732100000000, 0.0003980000000000 ] - [ -0.0013733900000000, 0.0005193000000000, -0.0000833100000000 ] - [ -0.0000327600000000, 0.0000447900000000, -0.0009536600000000 ] - [ -0.0001112900000000, 0.0005129100000000, -0.0013642400000000 ] - [ -0.0000823100000000, -0.0002479400000000, -0.0007540000000000 ] - [ -0.0009474900000000, 0.0025532000000000, -0.0010152000000000 ] - [ 0.0000974300000000, 0.0002050200000000, -0.0001048000000000 ] - [ -0.0004168500000000, 0.0012077700000000, 0.0004246600000000 ] - [ 0.0000804100000000, -0.0006609000000000, -0.0002417300000000 ] - [ 0.0004767500000000, -0.0022937400000000, 0.0009126600000000 ] - [ 0.0001617300000000, -0.0003746600000000, 0.0000576700000000 ] - [ 0.0003226200000000, 0.0007340000000000, 0.0002421600000000 ] - [ -0.0000072800000000, -0.0004323900000000, -0.0003570400000000 ] - [ 0.0008192300000000, -0.0015298900000000, -0.0011718700000000 ] - [ 0.0004495400000000, 0.0002633000000000, 0.0004054900000000 ] - [ 0.0005957200000000, 0.0000941100000000, 0.0001851900000000 ] - [ 0.0000869800000000, -0.0010652100000000, 0.0009280100000000 ] - [ -0.0047839600000000, 0.0004755200000000, 0.0024685800000000 ] - [ 0.0002198500000000, -0.0001572300000000, 0.0003812800000000 ] - [ 0.0006846500000000, 0.0008265900000000, 0.0003979700000000 ] - [ 0.0000996800000000, -0.0000452100000000, 0.0003645400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0038965900000000, 0.0135650800000000, -0.0132099100000000 ] - [ -0.0003766500000000, -0.0022571800000000, 0.0003072300000000 ] - [ 0.0026484300000000, -0.0101304500000000, 0.0072371500000000 ] - [ 0.0001097500000000, -0.0018529100000000, -0.0002314200000000 ] - [ 0.0006565400000000, 0.0028442100000000, 0.0005283200000000 ] - [ 0.0000142800000000, -0.0014348100000000, 0.0005150600000000 ] - [ -0.0012791800000000, -0.0002613600000000, -0.0007096100000000 ] - [ 0.0007832400000000, -0.0017966200000000, 0.0004173100000000 ] - [ 0.0001104800000000, 0.0017819700000000, -0.0004979100000000 ] - [ -0.0003065700000000, -0.0008639900000000, -0.0002675800000000 ] - [ -0.0004429900000000, 0.0001515100000000, -0.0001803300000000 ] - [ -0.0001015000000000, -0.0009717500000000, -0.0005532600000000 ] - [ 0.0000988800000000, 0.0028781000000000, -0.0009651400000000 ] - [ 0.0005375000000000, -0.0021276000000000, -0.0003393300000000 ] - [ 0.0012608700000000, 0.0011127200000000, -0.0000742900000000 ] - [ -0.0006171000000000, -0.0017843500000000, 0.0003142400000000 ] - [ -0.0025042000000000, -0.0010952200000000, 0.0029405200000000 ] - [ 0.0016195400000000, -0.0018620700000000, 0.0010589800000000 ] - [ 0.0017682600000000, -0.0030009600000000, -0.0018944200000000 ] - [ -0.0063153300000000, -0.0052702400000000, -0.0051747100000000 ] - [ -0.0098096100000000, 0.0864276900000000, -0.0485749600000000 ] - [ 0.0000940200000000, -0.0022218600000000, 0.0003963000000000 ] - [ 0.0011998600000000, 0.0055467600000000, 0.0020442600000000 ] - [ 0.0003212100000000, -0.0014702800000000, 0.0002646500000000 ] - [ 0.0039895800000000, -0.0010913000000000, 0.0034200100000000 ] - [ -0.0004592400000000, -0.0006555300000000, 0.0003669900000000 ] - [ -0.0030289100000000, -0.0026270600000000, -0.0008252400000000 ] - [ 0.0008274100000000, -0.0013334200000000, -0.0001448000000000 ] - [ -0.0011520400000000, 0.0023173000000000, 0.0002372400000000 ] - [ 0.0000453500000000, -0.0015978500000000, -0.0001637000000000 ] - [ -0.0003454700000000, 0.0019784900000000, 0.0001060600000000 ] - [ 0.0000601000000000, -0.0010543300000000, 0.0001596200000000 ] - [ 0.0000481400000000, 0.0007010400000000, -0.0002215300000000 ] - [ 0.0001170600000000, -0.0003338400000000, -0.0001520200000000 ] - [ 0.0000323000000000, -0.0008681600000000, -0.0003958400000000 ] - [ -0.0000509000000000, -0.0001837300000000, -0.0004695000000000 ] - [ -0.0025444400000000, 0.0030981300000000, -0.0011549800000000 ] - [ 0.0000447300000000, -0.0019980100000000, -0.0004951700000000 ] - [ 0.0033887800000000, 0.0033230400000000, 0.0004792700000000 ] - [ -0.0005809200000000, -0.0011675900000000, -0.0000783800000000 ] - [ -0.0005006300000000, -0.0006988300000000, -0.0005547800000000 ] - [ -0.0005788000000000, 0.0007042100000000, -0.0004983100000000 ] - [ 0.0034021200000000, -0.0151016100000000, 0.0058274900000000 ] - [ 0.0001617900000000, 0.0004772300000000, -0.0003106000000000 ] - [ -0.0018966700000000, 0.0020580500000000, 0.0015326700000000 ] - [ -0.0004380100000000, 0.0014740400000000, 0.0013528000000000 ] - [ 0.0025707000000000, 0.0037246300000000, -0.0053779900000000 ] - [ -0.0003288100000000, 0.0011983600000000, -0.0011668600000000 ] - [ 0.0053995300000000, 0.0069287900000000, 0.0017215300000000 ] - [ 0.0000297400000000, 0.0006590500000000, 0.0006507200000000 ] - [ -0.0018251400000000, 0.0030505300000000, -0.0021304300000000 ] - [ -0.0001972800000000, 0.0014123900000000, -0.0009574400000000 ] - [ -0.0006237800000000, -0.0053958600000000, -0.0012159100000000 ] - [ -0.0000887700000000, 0.0017317500000000, 0.0005112000000000 ] - [ -0.0096959800000000, 0.0277612400000000, -0.0481924700000000 ] - [ -0.0002160800000000, 0.0010646400000000, -0.0001635100000000 ] - [ 0.0073650500000000, -0.0972802400000000, 0.1013727700000000 ] - [ 0.0000233600000000, 0.0006422700000000, 0.0006027500000000 ] - [ -0.0000433300000000, -0.0014767800000000, -0.0023451800000000 ] - [ -0.0000704900000000, 0.0004005500000000, 0.0012588200000000 ] - [ -0.0015663700000000, -0.0143388000000000, 0.0082057100000000 ] - [ -0.0001522000000000, 0.0005154600000000, -0.0001348900000000 ] - [ -0.0000370700000000, -0.0007239100000000, 0.0002198900000000 ] - [ 0.0002607100000000, 0.0005618100000000, -0.0004308400000000 ] - [ -0.0042115700000000, 0.0017480300000000, -0.0032295800000000 ] - [ -0.0002014800000000, 0.0003786100000000, -0.0003477200000000 ] - [ 0.0023123900000000, 0.0017127700000000, 0.0005608300000000 ] - [ -0.0002891700000000, 0.0002180600000000, -0.0001926200000000 ] - [ 0.0006602300000000, 0.0004900900000000, 0.0013986300000000 ] - [ -0.0003546600000000, 0.0004915100000000, 0.0009969500000000 ] - [ -0.0006779600000000, -0.0004585200000000, -0.0009457400000000 ] - [ 0.0001035100000000, 0.0002197000000000, 0.0009973400000000 ] - [ -0.0003265900000000, -0.0002550000000000, 0.0006618100000000 ] - [ 0.0006357500000000, 0.0012204200000000, -0.0000029300000000 ] - [ 0.0002292400000000, 0.0009790500000000, 0.0003030200000000 ] - [ -0.0005477000000000, 0.0013826900000000, -0.0000274600000000 ] - [ -0.0000202300000000, -0.0004701300000000, 0.0001161800000000 ] - [ 0.0004139000000000, 0.0011589100000000, -0.0004274800000000 ] - [ 0.0013282000000000, -0.0014947500000000, -0.0004092900000000 ] - [ -0.0001268000000000, 0.0002154200000000, 0.0002118800000000 ] - [ 0.0003322200000000, -0.0013339900000000, -0.0007838200000000 ] - [ 0.0006832500000000, 0.0004223900000000, 0.0000335600000000 ] - [ 0.0008881200000000, -0.0004922600000000, 0.0001009000000000 ] - [ 0.0001709400000000, 0.0007855500000000, -0.0007562700000000 ] - [ -0.0015775200000000, -0.0003009700000000, -0.0005669600000000 ] - [ 0.0005861600000000, 0.0004643500000000, -0.0004557000000000 ] - [ 0.0013960900000000, -0.0001331400000000, -0.0004168900000000 ] - [ -0.0005193000000000, 0.0003105500000000, -0.0001910500000000 ] - [ -0.0000956300000000, -0.0001701000000000, 0.0002983600000000 ] - [ -0.0002519000000000, 0.0003585400000000, 0.0003540300000000 ] - [ 0.0001028400000000, 0.0000414100000000, 0.0003966500000000 ] - [ -0.0002356900000000, -0.0000225300000000, 0.0003953200000000 ] - [ -0.0005949400000000, -0.0003730900000000, 0.0000084800000000 ] - [ -0.0003102300000000, 0.0006387400000000, 0.0005733800000000 ] - [ 0.0000641100000000, -0.0012241500000000, 0.0009866000000000 ] - [ -0.0006284400000000, 0.0003214000000000, 0.0000998500000000 ] - [ 0.0001777000000000, -0.0004037400000000, -0.0002942000000000 ] - [ -0.0003756600000000, 0.0010641700000000, 0.0003157200000000 ] - [ -0.0001628100000000, -0.0011552300000000, 0.0002186800000000 ] - [ -0.0000037400000000, 0.0000621600000000, -0.0000679900000000 ] - [ -0.0001104400000000, -0.0006311800000000, -0.0002214900000000 ] - [ -0.0001421400000000, 0.0001431400000000, -0.0000233200000000 ] - [ -0.0000949600000000, 0.0007790900000000, -0.0002977300000000 ] - [ -0.0001222200000000, 0.0002031700000000, -0.0001571700000000 ] - [ 0.0000156500000000, -0.0002862600000000, -0.0008948400000000 ] - [ -0.0000227000000000, 0.0001353700000000, -0.0011364600000000 ] - [ 0.0000175900000000, 0.0001781500000000, -0.0008386300000000 ] - [ 0.0000831900000000, 0.0001805000000000, -0.0007791600000000 ] - [ 0.0001332500000000, -0.0002326500000000, 0.0002539900000000 ] - [ 0.0001842300000000, 0.0002911300000000, 0.0003219700000000 ] - [ -0.0000149000000000, 0.0000106500000000, 0.0002452800000000 ] - [ 0.0004343000000000, -0.0000426700000000, 0.0003460700000000 ] - [ 0.0003197500000000, -0.0005811600000000, 0.0003791300000000 ] - [ 0.0000441200000000, 0.0003860300000000, 0.0001906800000000 ] - [ -0.0009921000000000, -0.0002497600000000, 0.0004076800000000 ] - [ -0.0001118200000000, 0.0003616500000000, 0.0003196000000000 ] - [ 0.0004163200000000, -0.0006027400000000, -0.0005026200000000 ] - [ -0.0000579700000000, 0.0005943200000000, -0.0005754900000000 ] - [ -0.0006176700000000, -0.0005400800000000, -0.0014753100000000 ] - [ 0.0001437300000000, 0.0003675600000000, -0.0013240200000000 ] - [ -0.0000859700000000, -0.0018337800000000, 0.0002866200000000 ] - [ 0.0001282300000000, 0.0015568200000000, -0.0004966600000000 ] - [ 0.0002051000000000, -0.0025948800000000, -0.0004174600000000 ] - [ 0.0002148900000000, 0.0009253800000000, 0.0001472500000000 ] - [ 0.0019584200000000, -0.0013334200000000, 0.0017472500000000 ] - [ -0.0006390500000000, 0.0007174800000000, -0.0001440700000000 ] - [ -0.0002669000000000, 0.0006104600000000, -0.0002204700000000 ] - [ 0.0010570300000000, 0.0013744700000000, -0.0000293600000000 ] - [ 0.0014686000000000, -0.0006811100000000, -0.0011762200000000 ] - [ -0.0001753900000000, 0.0010830500000000, 0.0007333400000000 ] - [ -0.0000910500000000, 0.0000060600000000, 0.0009446900000000 ] - [ 0.0026385300000000, 0.0020472500000000, -0.0002877900000000 ] - [ 0.0036774700000000, -0.0027847700000000, 0.0009303500000000 ] - [ -0.0002257400000000, 0.0004572400000000, 0.0003195000000000 ] - [ -0.0033969700000000, -0.0008567000000000, -0.0007681100000000 ] - [ 0.0007435000000000, 0.0006827100000000, 0.0004842000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044161800000000, -0.0140672700000000, 0.0142631600000000 ] - [ -0.0000531000000000, 0.0017542700000000, 0.0003737400000000 ] - [ -0.0030666400000000, 0.0106350600000000, -0.0065413100000000 ] - [ -0.0005397800000000, 0.0023612600000000, 0.0009182600000000 ] - [ -0.0001387100000000, -0.0023800500000000, 0.0001365200000000 ] - [ 0.0004131500000000, 0.0019420900000000, 0.0001655900000000 ] - [ 0.0017006300000000, -0.0002422400000000, 0.0013899800000000 ] - [ -0.0003583700000000, 0.0012957900000000, 0.0002618000000000 ] - [ -0.0005452600000000, -0.0012857200000000, -0.0001844800000000 ] - [ -0.0001220700000000, 0.0013746800000000, -0.0004120700000000 ] - [ 0.0000133100000000, -0.0006496400000000, -0.0004942500000000 ] - [ -0.0003245400000000, 0.0004613200000000, -0.0001218800000000 ] - [ 0.0002271100000000, -0.0034434700000000, 0.0002821200000000 ] - [ -0.0001080100000000, 0.0016230700000000, -0.0003394700000000 ] - [ -0.0008257200000000, -0.0005999100000000, -0.0006089000000000 ] - [ 0.0010555200000000, 0.0022959500000000, -0.0010041900000000 ] - [ 0.0025306200000000, 0.0015608300000000, -0.0029839600000000 ] - [ -0.0016154800000000, 0.0023393400000000, -0.0010581800000000 ] - [ -0.0017643600000000, 0.0025235000000000, 0.0018901300000000 ] - [ 0.0063955600000000, 0.0048253000000000, 0.0052530400000000 ] - [ 0.0102057600000000, -0.0878285500000000, 0.0496075900000000 ] - [ 0.0001593200000000, 0.0015528200000000, 0.0002207000000000 ] - [ -0.0009429100000000, -0.0048784900000000, -0.0014364200000000 ] - [ -0.0000680300000000, 0.0021452400000000, 0.0003484500000000 ] - [ -0.0042818200000000, 0.0017725200000000, -0.0028586000000000 ] - [ 0.0002038700000000, 0.0013294200000000, 0.0002484700000000 ] - [ 0.0027677800000000, 0.0019575500000000, 0.0014406700000000 ] - [ -0.0010902700000000, 0.0006475500000000, 0.0007709600000000 ] - [ 0.0011558300000000, -0.0027833900000000, -0.0002205700000000 ] - [ -0.0000449000000000, 0.0011226800000000, 0.0001650500000000 ] - [ 0.0003502400000000, -0.0014894500000000, -0.0001163400000000 ] - [ -0.0000608800000000, 0.0015309000000000, -0.0001613500000000 ] - [ 0.0002062800000000, -0.0000444900000000, -0.0004046000000000 ] - [ 0.0001360400000000, 0.0010107500000000, -0.0004632100000000 ] - [ 0.0002214600000000, 0.0002001300000000, -0.0002193800000000 ] - [ 0.0003037000000000, -0.0004937000000000, -0.0001446200000000 ] - [ 0.0023058200000000, -0.0037692700000000, 0.0005638200000000 ] - [ -0.0002958600000000, 0.0013296800000000, -0.0001179900000000 ] - [ -0.0036401300000000, -0.0026164500000000, -0.0011002400000000 ] - [ 0.0003306900000000, 0.0018410100000000, -0.0005388200000000 ] - [ 0.0001452800000000, 0.0008908600000000, -0.0001847200000000 ] - [ 0.0002352000000000, -0.0005174600000000, -0.0002404800000000 ] - [ -0.0036344200000000, 0.0149430100000000, -0.0063709700000000 ] - [ -0.0005088600000000, -0.0006644500000000, -0.0004281000000000 ] - [ 0.0009763200000000, -0.0024179500000000, -0.0022149700000000 ] - [ -0.0004799400000000, -0.0018474500000000, -0.0020552800000000 ] - [ -0.0035101700000000, -0.0033952000000000, 0.0047448200000000 ] - [ -0.0005900300000000, -0.0008326200000000, 0.0004814400000000 ] - [ -0.0058523700000000, -0.0080388100000000, -0.0019721400000000 ] - [ -0.0003970700000000, -0.0016387300000000, -0.0008835300000000 ] - [ 0.0014575900000000, -0.0020639000000000, 0.0018942400000000 ] - [ -0.0001659900000000, -0.0004335300000000, 0.0007342200000000 ] - [ 0.0003579400000000, 0.0061564200000000, 0.0015581500000000 ] - [ -0.0001793300000000, -0.0009857800000000, -0.0001681700000000 ] - [ 0.0092665400000000, -0.0278774800000000, 0.0476486300000000 ] - [ -0.0000523800000000, -0.0018132200000000, 0.0005080900000000 ] - [ -0.0073110100000000, 0.0976976900000000, -0.0998972700000000 ] - [ -0.0000298200000000, -0.0004234600000000, 0.0012226400000000 ] - [ 0.0000373400000000, 0.0012561800000000, 0.0041708300000000 ] - [ 0.0000678900000000, -0.0006185900000000, 0.0005686300000000 ] - [ 0.0018173200000000, 0.0142744700000000, -0.0086321800000000 ] - [ 0.0004241400000000, -0.0006033600000000, -0.0004417200000000 ] - [ 0.0003147900000000, 0.0008194000000000, -0.0007965600000000 ] - [ 0.0000118000000000, -0.0004731300000000, -0.0001419000000000 ] - [ 0.0039819400000000, -0.0016857300000000, 0.0026924300000000 ] - [ -0.0000766300000000, -0.0002873800000000, -0.0002287700000000 ] - [ -0.0025870300000000, -0.0018021200000000, -0.0011369200000000 ] - [ 0.0000160900000000, -0.0003032700000000, -0.0003823100000000 ] - [ -0.0006559500000000, -0.0002706200000000, 0.0004275700000000 ] - [ 0.0003568500000000, -0.0002694600000000, 0.0008237900000000 ] - [ 0.0006840700000000, 0.0002468700000000, 0.0028078000000000 ] - [ -0.0001025000000000, -0.0004372900000000, 0.0008270000000000 ] - [ 0.0005940400000000, -0.0004787600000000, -0.0003284100000000 ] - [ -0.0003697300000000, -0.0019651200000000, 0.0003478500000000 ] - [ 0.0000373000000000, -0.0002377500000000, 0.0000386700000000 ] - [ 0.0008184300000000, -0.0006382400000000, 0.0003775300000000 ] - [ 0.0003689900000000, 0.0014321000000000, -0.0003352000000000 ] - [ -0.0000564000000000, -0.0001778500000000, 0.0001968900000000 ] - [ -0.0009634200000000, 0.0005089900000000, 0.0001731700000000 ] - [ 0.0004854600000000, -0.0011938500000000, -0.0004446500000000 ] - [ 0.0005745700000000, 0.0009605900000000, 0.0000860500000000 ] - [ 0.0002287400000000, -0.0007853700000000, -0.0007209800000000 ] - [ 0.0000279000000000, 0.0008534400000000, -0.0007857500000000 ] - [ 0.0007432900000000, -0.0004218900000000, 0.0000729000000000 ] - [ 0.0019347900000000, 0.0004877100000000, -0.0001649200000000 ] - [ -0.0002351600000000, -0.0002762500000000, -0.0002836700000000 ] - [ -0.0010415300000000, -0.0000571500000000, -0.0003219100000000 ] - [ 0.0008646200000000, -0.0004936700000000, -0.0005488500000000 ] - [ -0.0002577200000000, 0.0003626900000000, 0.0004443000000000 ] - [ -0.0000914500000000, -0.0001720500000000, 0.0003852600000000 ] - [ -0.0004455800000000, -0.0002294200000000, 0.0003430100000000 ] - [ -0.0001143500000000, -0.0001627400000000, 0.0003444300000000 ] - [ -0.0003168500000000, 0.0007316700000000, 0.0006772400000000 ] - [ -0.0006043900000000, -0.0002721000000000, 0.0001137500000000 ] - [ -0.0009802700000000, 0.0008617200000000, -0.0003068000000000 ] - [ -0.0002824600000000, -0.0006863400000000, 0.0005879000000000 ] - [ -0.0005392300000000, 0.0013836800000000, 0.0005319800000000 ] - [ 0.0000183200000000, -0.0000852200000000, -0.0000850200000000 ] - [ -0.0001948300000000, 0.0001709700000000, 0.0000129500000000 ] - [ -0.0003529000000000, -0.0010373700000000, 0.0002976700000000 ] - [ -0.0001547200000000, -0.0001073900000000, -0.0001206700000000 ] - [ -0.0001195300000000, -0.0008914800000000, -0.0003196200000000 ] - [ -0.0001669700000000, -0.0000326100000000, -0.0000457500000000 ] - [ -0.0001433000000000, 0.0005561700000000, -0.0001859400000000 ] - [ -0.0000170600000000, 0.0000685000000000, -0.0009233600000000 ] - [ 0.0000234900000000, -0.0003577100000000, -0.0006868400000000 ] - [ -0.0000148300000000, 0.0000384800000000, -0.0009928400000000 ] - [ -0.0000836700000000, 0.0000412200000000, -0.0010528000000000 ] - [ 0.0001534300000000, 0.0003279900000000, 0.0003262800000000 ] - [ 0.0000934300000000, -0.0002041200000000, 0.0002538300000000 ] - [ 0.0002932800000000, -0.0001014600000000, 0.0003327400000000 ] - [ -0.0001618800000000, -0.0000426100000000, 0.0002290900000000 ] - [ -0.0005928400000000, 0.0004927100000000, 0.0001922000000000 ] - [ -0.0003162700000000, -0.0004787900000000, 0.0003849100000000 ] - [ 0.0007226300000000, 0.0003327900000000, 0.0001668600000000 ] - [ -0.0001610300000000, -0.0002711000000000, 0.0002575900000000 ] - [ -0.0004093800000000, 0.0008175200000000, -0.0013447400000000 ] - [ 0.0000639700000000, -0.0003777700000000, -0.0012488700000000 ] - [ 0.0006186400000000, 0.0003147200000000, -0.0003428900000000 ] - [ -0.0001380500000000, -0.0005886100000000, -0.0004946700000000 ] - [ 0.0003628900000000, 0.0025584300000000, -0.0006211700000000 ] - [ 0.0001417300000000, -0.0008087600000000, 0.0001548500000000 ] - [ 0.0000570100000000, 0.0018488800000000, 0.0000705700000000 ] - [ 0.0000543000000000, -0.0016758400000000, -0.0004915800000000 ] - [ -0.0016146500000000, 0.0003775500000000, -0.0015423500000000 ] - [ 0.0010006400000000, -0.0016971500000000, 0.0003776900000000 ] - [ 0.0006212100000000, 0.0003682200000000, 0.0004495200000000 ] - [ -0.0006988000000000, -0.0003915600000000, 0.0002720900000000 ] - [ -0.0005658100000000, 0.0010674200000000, 0.0018930900000000 ] - [ 0.0010897700000000, -0.0007195900000000, -0.0000479400000000 ] - [ 0.0010036600000000, -0.0003669300000000, -0.0002585300000000 ] - [ -0.0017478700000000, -0.0024302300000000, 0.0009727400000000 ] - [ -0.0033495000000000, 0.0026123100000000, -0.0002055800000000 ] - [ 0.0005732800000000, -0.0006465800000000, 0.0004201600000000 ] - [ 0.0037321100000000, 0.0010366300000000, 0.0015077300000000 ] - [ -0.0003967500000000, -0.0004961300000000, 0.0002552800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0047550000000000, -0.0078927600000000, 0.0217826200000000 ] - [ -0.0000517400000000, 0.0009662300000000, 0.0004026900000000 ] - [ -0.0021674900000000, 0.0119794400000000, -0.0077592800000000 ] - [ -0.0011844400000000, 0.0014352200000000, 0.0003027600000000 ] - [ 0.0178846600000000, -0.0077140200000000, -0.0031512100000000 ] - [ 0.0002631600000000, 0.0013314500000000, 0.0000881900000000 ] - [ -0.0017202600000000, -0.0018888400000000, 0.0008041700000000 ] - [ -0.0004104900000000, 0.0012795300000000, 0.0011041400000000 ] - [ -0.0001912400000000, -0.0006932300000000, -0.0011901800000000 ] - [ -0.0001832300000000, 0.0008303900000000, -0.0004453600000000 ] - [ -0.0003731700000000, 0.0000992300000000, 0.0001580200000000 ] - [ 0.0001583400000000, -0.0005869000000000, 0.0000283000000000 ] - [ -0.0137030200000000, -0.0087512700000000, -0.0004191500000000 ] - [ 0.0000624000000000, 0.0009909000000000, -0.0002819600000000 ] - [ 0.0015871200000000, -0.0018301500000000, -0.0015817400000000 ] - [ 0.0012013400000000, 0.0022296600000000, -0.0006382000000000 ] - [ 0.0066408700000000, 0.0033122700000000, -0.0100692800000000 ] - [ -0.0014936300000000, 0.0016088900000000, -0.0013690700000000 ] - [ -0.0016858600000000, 0.0014910100000000, 0.0025377000000000 ] - [ 0.0081710600000000, 0.0036588400000000, 0.0081835000000000 ] - [ 0.0497046100000000, -0.0556173300000000, 0.3219517900000000 ] - [ 0.0001092000000000, 0.0008308000000000, 0.0003585900000000 ] - [ -0.0000591000000000, -0.0149176100000000, -0.0091601900000000 ] - [ -0.0001580800000000, 0.0017334000000000, 0.0001304600000000 ] - [ -0.0091560800000000, 0.0042205900000000, -0.0116000900000000 ] - [ 0.0000030100000000, 0.0003481800000000, 0.0000579900000000 ] - [ 0.0021766500000000, 0.0016417300000000, 0.0027657300000000 ] - [ -0.0009908200000000, -0.0036358200000000, 0.0018231000000000 ] - [ 0.0002259100000000, 0.0010382100000000, 0.0042364200000000 ] - [ -0.0001151100000000, 0.0004255200000000, 0.0002938700000000 ] - [ 0.0017192100000000, 0.0016600200000000, -0.0032122200000000 ] - [ -0.0002095900000000, 0.0009089600000000, -0.0004227200000000 ] - [ 0.0011603700000000, -0.0014512700000000, -0.0024888600000000 ] - [ 0.0001597500000000, 0.0010693300000000, -0.0005155400000000 ] - [ 0.0001202300000000, -0.0002381600000000, 0.0003229500000000 ] - [ 0.0002951500000000, -0.0002921200000000, 0.0003645600000000 ] - [ 0.0120381400000000, -0.0050784600000000, 0.0062165900000000 ] - [ -0.0001660300000000, 0.0008410700000000, -0.0001160700000000 ] - [ -0.0041269100000000, 0.0020752900000000, -0.0028758700000000 ] - [ 0.0004532700000000, 0.0012575100000000, -0.0008094900000000 ] - [ -0.0018809800000000, 0.0029551800000000, 0.0006496400000000 ] - [ 0.0001925000000000, -0.0004404700000000, -0.0002376000000000 ] - [ 0.0324132300000000, 0.0033892500000000, 0.0228768200000000 ] - [ -0.0003844200000000, -0.0004524200000000, -0.0004249500000000 ] - [ 0.0008470800000000, -0.0022379100000000, -0.0024001300000000 ] - [ -0.0006032200000000, -0.0018023500000000, -0.0027126400000000 ] - [ -0.0087499500000000, -0.0101610700000000, 0.0142439300000000 ] - [ -0.0005405400000000, -0.0005617700000000, 0.0004042200000000 ] - [ -0.0062775300000000, -0.0091025700000000, -0.0063456700000000 ] - [ -0.0003151000000000, -0.0012324500000000, -0.0008496200000000 ] - [ 0.0012990500000000, -0.0018796400000000, 0.0019540500000000 ] - [ 0.0000833900000000, -0.0015050200000000, 0.0028057900000000 ] - [ -0.0002021900000000, 0.0123176300000000, 0.0101372700000000 ] - [ -0.0001474900000000, -0.0006077000000000, -0.0000388400000000 ] - [ 0.0080749300000000, -0.0288324200000000, 0.0231498400000000 ] - [ -0.0000463000000000, -0.0012751100000000, 0.0003800200000000 ] - [ -0.0586043900000000, 0.0982084000000000, -0.4506043600000000 ] - [ -0.0000083600000000, -0.0002092900000000, 0.0010512400000000 ] - [ 0.0003231000000000, 0.0031734200000000, 0.0085971400000000 ] - [ 0.0000857000000000, -0.0004436100000000, 0.0008446400000000 ] - [ -0.0186672200000000, 0.0042404800000000, 0.0470636300000000 ] - [ 0.0003717300000000, -0.0004193700000000, -0.0004159500000000 ] - [ 0.0015156000000000, 0.0031863800000000, 0.0006977400000000 ] - [ 0.0001308300000000, -0.0003853700000000, -0.0001962900000000 ] - [ 0.0106481600000000, -0.0056151700000000, 0.0072450800000000 ] - [ -0.0001364700000000, -0.0000437700000000, -0.0002564600000000 ] - [ -0.0025685500000000, -0.0019392400000000, -0.0013546500000000 ] - [ 0.0005664400000000, 0.0006785900000000, -0.0001688200000000 ] - [ -0.0003427200000000, 0.0001838500000000, -0.0003872100000000 ] - [ 0.0003743700000000, 0.0005872900000000, -0.0003870500000000 ] - [ 0.0009406800000000, 0.0017735900000000, 0.0086163200000000 ] - [ -0.0000545100000000, -0.0001832800000000, 0.0010819100000000 ] - [ 0.0001263400000000, 0.0030880400000000, -0.0014165100000000 ] - [ -0.0002721000000000, -0.0016057700000000, 0.0000574100000000 ] - [ 0.0001617800000000, 0.0005317700000000, 0.0002831400000000 ] - [ 0.0016675800000000, -0.0018747500000000, 0.0013723500000000 ] - [ -0.0017637300000000, -0.0012750700000000, 0.0020448000000000 ] - [ 0.0000650400000000, 0.0001104800000000, 0.0001322300000000 ] - [ 0.0012144100000000, -0.0007401000000000, -0.0013818300000000 ] - [ 0.0004128300000000, -0.0009446100000000, -0.0004261500000000 ] - [ -0.0013138000000000, -0.0015495800000000, -0.0033975200000000 ] - [ 0.0003368400000000, -0.0005285100000000, -0.0006025100000000 ] - [ 0.0008224500000000, -0.0004185500000000, 0.0008856300000000 ] - [ 0.0007184700000000, -0.0002591300000000, 0.0000237300000000 ] - [ 0.0031458800000000, 0.0002510900000000, 0.0011153300000000 ] - [ 0.0000731100000000, 0.0000304900000000, -0.0003146700000000 ] - [ -0.0005230600000000, -0.0002510400000000, -0.0006516800000000 ] - [ 0.0000381500000000, 0.0006076200000000, -0.0005305000000000 ] - [ -0.0027258700000000, 0.0014423200000000, 0.0012717700000000 ] - [ -0.0000885100000000, -0.0001357600000000, 0.0003973200000000 ] - [ 0.0000483200000000, 0.0000070800000000, 0.0002201100000000 ] - [ -0.0000851800000000, -0.0001890800000000, 0.0002062700000000 ] - [ -0.0006964300000000, -0.0000571700000000, 0.0007658100000000 ] - [ -0.0004525800000000, 0.0000983200000000, 0.0004193000000000 ] - [ -0.0009888500000000, 0.0003281400000000, -0.0010320600000000 ] - [ -0.0003679100000000, -0.0004182700000000, 0.0004121900000000 ] - [ -0.0010448700000000, 0.0012220000000000, 0.0014234900000000 ] - [ -0.0000536400000000, 0.0001918900000000, 0.0000670200000000 ] - [ -0.0000617900000000, -0.0004621100000000, -0.0007584300000000 ] - [ -0.0002157000000000, -0.0006253800000000, 0.0000735300000000 ] - [ -0.0001482300000000, -0.0003620900000000, -0.0002772400000000 ] - [ -0.0001133500000000, -0.0005349800000000, -0.0003255200000000 ] - [ -0.0001562700000000, -0.0001687500000000, -0.0000162300000000 ] - [ -0.0002984700000000, 0.0015391400000000, -0.0000631700000000 ] - [ -0.0001888000000000, -0.0000847500000000, 0.0005504500000000 ] - [ 0.0000097300000000, -0.0003255900000000, -0.0006692800000000 ] - [ -0.0000142000000000, -0.0000386800000000, -0.0014173300000000 ] - [ -0.0000902100000000, 0.0000232900000000, -0.0014181400000000 ] - [ 0.0015901400000000, 0.0011638800000000, 0.0012572300000000 ] - [ 0.0000638100000000, -0.0001799400000000, 0.0002541000000000 ] - [ -0.0000980900000000, 0.0001473600000000, 0.0001620900000000 ] - [ -0.0002612500000000, -0.0000193600000000, 0.0001175800000000 ] - [ -0.0036929800000000, 0.0000576800000000, 0.0003448600000000 ] - [ -0.0003006400000000, -0.0003487500000000, 0.0003636400000000 ] - [ 0.0012287100000000, -0.0005720800000000, -0.0000328600000000 ] - [ -0.0004462600000000, 0.0000113200000000, 0.0004241900000000 ] - [ -0.0008504700000000, -0.0003242100000000, -0.0062220200000000 ] - [ 0.0000265000000000, -0.0002387600000000, -0.0012079400000000 ] - [ 0.0004360400000000, -0.0006660800000000, 0.0013762100000000 ] - [ -0.0001726100000000, -0.0005155800000000, -0.0004363700000000 ] - [ 0.0020788400000000, -0.0008015700000000, 0.0009529000000000 ] - [ 0.0000967300000000, -0.0003787400000000, 0.0000891900000000 ] - [ -0.0014492500000000, 0.0024238700000000, -0.0003839200000000 ] - [ 0.0000446700000000, -0.0013386000000000, -0.0004336500000000 ] - [ -0.0022763100000000, 0.0025926200000000, -0.0034804300000000 ] - [ 0.0007484200000000, -0.0012347400000000, 0.0000469500000000 ] - [ 0.0005942600000000, 0.0007853000000000, 0.0007559200000000 ] - [ -0.0016375000000000, -0.0010564500000000, 0.0010931200000000 ] - [ -0.0023306700000000, 0.0033688300000000, 0.0061147300000000 ] - [ 0.0009078900000000, -0.0003875500000000, 0.0002200900000000 ] - [ 0.0009775100000000, 0.0001691700000000, -0.0006304100000000 ] - [ -0.0016106100000000, -0.0018393600000000, 0.0000994300000000 ] - [ -0.0136472400000000, 0.0034686300000000, -0.0012289900000000 ] - [ 0.0004052600000000, -0.0004589400000000, 0.0003852400000000 ] - [ 0.0030882600000000, -0.0001732300000000, 0.0017956600000000 ] - [ -0.0002606500000000, -0.0003164700000000, 0.0003536800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0036704500000000, 0.0062981000000000, -0.0191994300000000 ] - [ -0.0003914800000000, -0.0014610700000000, 0.0002789000000000 ] - [ 0.0017193200000000, -0.0114422500000000, 0.0084074500000000 ] - [ 0.0007365200000000, -0.0009256000000000, 0.0003600800000000 ] - [ -0.0175272900000000, 0.0082251200000000, 0.0037658900000000 ] - [ 0.0001817700000000, -0.0008202900000000, 0.0005909700000000 ] - [ 0.0021652600000000, 0.0013998700000000, -0.0000994800000000 ] - [ 0.0008494600000000, -0.0017676600000000, -0.0004114100000000 ] - [ -0.0002591800000000, 0.0011818400000000, 0.0005221500000000 ] - [ -0.0002590900000000, -0.0003261800000000, -0.0002371000000000 ] - [ -0.0000668400000000, -0.0005977500000000, -0.0008484000000000 ] - [ -0.0006003800000000, 0.0000883500000000, -0.0007123900000000 ] - [ 0.0141074900000000, 0.0082251000000000, -0.0002879300000000 ] - [ 0.0003809400000000, -0.0014873900000000, -0.0004015200000000 ] - [ -0.0011421400000000, 0.0023273900000000, 0.0009040400000000 ] - [ -0.0007551200000000, -0.0017153600000000, -0.0000273200000000 ] - [ -0.0065886100000000, -0.0027847200000000, 0.0100047300000000 ] - [ 0.0014898300000000, -0.0011180600000000, 0.0013665300000000 ] - [ 0.0016799500000000, -0.0019650300000000, -0.0025325400000000 ] - [ -0.0081945000000000, -0.0041814600000000, -0.0081980100000000 ] - [ -0.0551137300000000, 0.0610726900000000, -0.3455557600000000 ] - [ 0.0001294800000000, -0.0014947700000000, 0.0002557300000000 ] - [ 0.0002877000000000, 0.0154543400000000, 0.0097782400000000 ] - [ 0.0004005800000000, -0.0010547000000000, 0.0004825500000000 ] - [ 0.0088393400000000, -0.0035193100000000, 0.0121862000000000 ] - [ -0.0002430600000000, 0.0003247900000000, 0.0005551200000000 ] - [ -0.0024096400000000, -0.0022986600000000, -0.0021553600000000 ] - [ 0.0007531500000000, 0.0029464100000000, -0.0012091100000000 ] - [ -0.0001752400000000, -0.0015315600000000, -0.0042269700000000 ] - [ 0.0001139000000000, -0.0009061200000000, -0.0002929500000000 ] - [ -0.0017279800000000, -0.0011953300000000, 0.0032163900000000 ] - [ 0.0002078500000000, -0.0004140700000000, 0.0004185400000000 ] - [ -0.0009282600000000, 0.0021214200000000, 0.0018669600000000 ] - [ 0.0000811800000000, -0.0003968400000000, -0.0001014100000000 ] - [ 0.0001251700000000, -0.0004270600000000, -0.0009339100000000 ] - [ -0.0000575200000000, -0.0003768300000000, -0.0009753000000000 ] - [ -0.0122641600000000, 0.0043880700000000, -0.0068053800000000 ] - [ -0.0000751900000000, -0.0015078400000000, -0.0004981100000000 ] - [ 0.0038746400000000, -0.0014090700000000, 0.0022499800000000 ] - [ -0.0006899800000000, -0.0005808900000000, 0.0001903200000000 ] - [ 0.0014787700000000, -0.0027360900000000, -0.0014109300000000 ] - [ -0.0005741900000000, 0.0006343800000000, -0.0005179800000000 ] - [ -0.0331727500000000, -0.0035746700000000, -0.0237631000000000 ] - [ -0.0000050200000000, 0.0002550700000000, -0.0003294200000000 ] - [ -0.0017349100000000, 0.0018333900000000, 0.0016825500000000 ] - [ -0.0002885000000000, 0.0014071000000000, 0.0020012400000000 ] - [ 0.0077859800000000, 0.0104568900000000, -0.0148174400000000 ] - [ -0.0003510300000000, 0.0009620100000000, -0.0011180100000000 ] - [ 0.0059598500000000, 0.0081686000000000, 0.0060695500000000 ] - [ -0.0000210500000000, 0.0002724200000000, 0.0006348000000000 ] - [ -0.0016327200000000, 0.0028386800000000, -0.0021643000000000 ] - [ -0.0004128100000000, 0.0024328100000000, -0.0029877700000000 ] - [ -0.0000761900000000, -0.0114692300000000, -0.0096979300000000 ] - [ -0.0001280500000000, 0.0013329100000000, 0.0003791800000000 ] - [ -0.0085012200000000, 0.0284063400000000, -0.0228957500000000 ] - [ -0.0002295200000000, 0.0005430600000000, -0.0000349500000000 ] - [ 0.0651429700000000, -0.1032070400000000, 0.4762319700000000 ] - [ 0.0000029500000000, 0.0004290900000000, 0.0007964800000000 ] - [ -0.0003240700000000, -0.0033637800000000, -0.0067175400000000 ] - [ -0.0000891500000000, 0.0002231600000000, 0.0010005400000000 ] - [ 0.0193707700000000, -0.0044914900000000, -0.0488708200000000 ] - [ -0.0000942200000000, 0.0003237500000000, -0.0001736900000000 ] - [ -0.0012148200000000, -0.0030657500000000, -0.0013107500000000 ] - [ 0.0001463000000000, 0.0004795300000000, -0.0003908100000000 ] - [ -0.0108332200000000, 0.0056617900000000, -0.0077951900000000 ] - [ -0.0001489200000000, 0.0001420200000000, -0.0003347200000000 ] - [ 0.0022819500000000, 0.0018370300000000, 0.0007653700000000 ] - [ -0.0008438000000000, -0.0007693200000000, -0.0004157300000000 ] - [ 0.0003420100000000, 0.0000305500000000, 0.0022369100000000 ] - [ -0.0003765000000000, -0.0003637500000000, 0.0022323700000000 ] - [ -0.0009215000000000, -0.0019997800000000, -0.0067603000000000 ] - [ 0.0000540300000000, -0.0000341700000000, 0.0007669000000000 ] - [ 0.0001400500000000, -0.0038114500000000, 0.0017711400000000 ] - [ 0.0005442500000000, 0.0008699700000000, 0.0002881800000000 ] - [ 0.0001116600000000, 0.0001896800000000, 0.0000561900000000 ] - [ -0.0013816200000000, 0.0025759600000000, -0.0010351200000000 ] - [ 0.0021095300000000, 0.0022447200000000, -0.0022642600000000 ] - [ 0.0002655300000000, 0.0008495900000000, -0.0003453500000000 ] - [ -0.0008997700000000, -0.0002247000000000, 0.0011638500000000 ] - [ -0.0000824500000000, -0.0000142700000000, 0.0002115200000000 ] - [ 0.0021839000000000, 0.0011507200000000, 0.0026995900000000 ] - [ 0.0005462900000000, 0.0001241400000000, -0.0001185400000000 ] - [ 0.0000659300000000, 0.0008270600000000, -0.0016127600000000 ] - [ 0.0001697700000000, 0.0006578700000000, -0.0007371300000000 ] - [ -0.0027279500000000, -0.0000524500000000, -0.0018718000000000 ] - [ 0.0003163900000000, 0.0001659200000000, -0.0004402300000000 ] - [ 0.0009080000000000, 0.0000534400000000, -0.0001002500000000 ] - [ 0.0003425200000000, -0.0007983300000000, -0.0002229300000000 ] - [ 0.0023562800000000, -0.0012524700000000, -0.0005191900000000 ] - [ -0.0002949400000000, 0.0003304100000000, 0.0003547300000000 ] - [ -0.0004366600000000, -0.0002064400000000, 0.0005323500000000 ] - [ -0.0002980400000000, -0.0000046000000000, 0.0005439400000000 ] - [ -0.0001810900000000, 0.0004659400000000, -0.0000445800000000 ] - [ -0.0004374400000000, 0.0003026300000000, 0.0002948600000000 ] - [ 0.0000899900000000, -0.0007196600000000, 0.0017337800000000 ] - [ -0.0005193600000000, 0.0000160700000000, 0.0003030900000000 ] - [ 0.0007222100000000, -0.0002658400000000, -0.0012187600000000 ] - [ -0.0002793900000000, 0.0007687400000000, 0.0001457500000000 ] - [ -0.0002802600000000, -0.0005060600000000, 0.0009767900000000 ] - [ -0.0001168300000000, -0.0003326000000000, 0.0001381600000000 ] - [ -0.0001232700000000, -0.0003622700000000, -0.0000676000000000 ] - [ -0.0001574300000000, -0.0001909900000000, -0.0000175100000000 ] - [ -0.0001146100000000, 0.0008946100000000, -0.0003271600000000 ] - [ 0.0000258200000000, -0.0008092700000000, -0.0002790800000000 ] - [ 0.0001896500000000, -0.0001325800000000, -0.0024024700000000 ] - [ -0.0000090900000000, 0.0001036500000000, -0.0011799500000000 ] - [ 0.0000156900000000, 0.0002543000000000, -0.0004370000000000 ] - [ 0.0000900300000000, 0.0001968300000000, -0.0004341300000000 ] - [ -0.0013036200000000, -0.0010659000000000, -0.0006673300000000 ] - [ 0.0002213900000000, 0.0002748200000000, 0.0003346400000000 ] - [ 0.0003842800000000, -0.0002465800000000, 0.0004296000000000 ] - [ 0.0005463900000000, -0.0000766300000000, 0.0004705900000000 ] - [ 0.0034078000000000, -0.0001508700000000, 0.0002389300000000 ] - [ 0.0000219100000000, 0.0002486600000000, 0.0002228700000000 ] - [ -0.0015086900000000, 0.0006702300000000, 0.0006237600000000 ] - [ 0.0001691800000000, 0.0000846500000000, 0.0001638900000000 ] - [ 0.0008503800000000, 0.0005419000000000, 0.0043558600000000 ] - [ -0.0000215900000000, 0.0004541800000000, -0.0006424500000000 ] - [ -0.0004344000000000, 0.0004480000000000, -0.0032254500000000 ] - [ 0.0001775700000000, 0.0002940200000000, -0.0014086500000000 ] - [ -0.0018012100000000, 0.0015275300000000, -0.0012949900000000 ] - [ 0.0001804500000000, 0.0011056400000000, -0.0004310800000000 ] - [ 0.0017182200000000, -0.0031391300000000, 0.0000375000000000 ] - [ 0.0002314800000000, 0.0006006700000000, 0.0000863000000000 ] - [ 0.0026149400000000, -0.0035460300000000, 0.0036924200000000 ] - [ -0.0004123600000000, 0.0002741200000000, 0.0001660700000000 ] - [ -0.0002636800000000, 0.0001752700000000, -0.0005446100000000 ] - [ 0.0019480100000000, 0.0019906600000000, -0.0008821600000000 ] - [ 0.0031927400000000, -0.0029515000000000, -0.0053534400000000 ] - [ -0.0000201900000000, 0.0007909400000000, 0.0004973200000000 ] - [ -0.0000866300000000, -0.0005665200000000, 0.0013399400000000 ] - [ 0.0025164700000000, 0.0014565500000000, 0.0006016900000000 ] - [ 0.0139650100000000, -0.0036388000000000, 0.0019370700000000 ] - [ -0.0000197300000000, 0.0002608500000000, 0.0003661900000000 ] - [ -0.0026906000000000, 0.0003707200000000, -0.0010350300000000 ] - [ 0.0006472200000000, 0.0005111500000000, 0.0004006800000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021844100000000, -0.0064423900000000, 0.0092771000000000 ] - [ 0.0005036700000000, 0.0011506800000000, 0.0004023400000000 ] - [ 0.0004850200000000, 0.0103057600000000, -0.0063634500000000 ] - [ 0.0029468500000000, -0.0003289300000000, 0.0002119100000000 ] - [ 0.0366845400000000, -0.0109678400000000, -0.0082809600000000 ] - [ 0.0007442300000000, 0.0012811300000000, 0.0002782300000000 ] - [ 0.0034157500000000, -0.0028887400000000, 0.0010797900000000 ] - [ 0.0002452900000000, 0.0021561900000000, -0.0003138900000000 ] - [ -0.0050440100000000, 0.0005148600000000, 0.0008146100000000 ] - [ -0.0007250800000000, 0.0009492700000000, -0.0003858400000000 ] - [ -0.0033513700000000, -0.0030594400000000, -0.0005074800000000 ] - [ -0.0025230400000000, 0.0019930000000000, -0.0005933100000000 ] - [ -0.0215094300000000, -0.0099980100000000, -0.0055530400000000 ] - [ -0.0004516900000000, 0.0010972300000000, -0.0004134600000000 ] - [ -0.0013009400000000, 0.0017086300000000, -0.0003664900000000 ] - [ -0.0011097900000000, -0.0008691200000000, 0.0001001400000000 ] - [ 0.0020022200000000, -0.0045308400000000, -0.0021862300000000 ] - [ -0.0008534600000000, 0.0023168300000000, -0.0006958300000000 ] - [ -0.0013367600000000, 0.0029144200000000, 0.0016632500000000 ] - [ 0.0013099600000000, -0.0060919100000000, 0.0010543500000000 ] - [ 0.2002316600000000, -0.0758097300000000, -0.1056391200000000 ] - [ 0.0007544400000000, 0.0005021600000000, 0.0000971700000000 ] - [ 0.0021962100000000, 0.0014148900000000, -0.0004424600000000 ] - [ 0.0016734700000000, 0.0010940400000000, 0.0001116300000000 ] - [ 0.0016064900000000, 0.0017087300000000, 0.0118728300000000 ] - [ 0.0005559800000000, 0.0001601900000000, 0.0003997400000000 ] - [ 0.0034164500000000, 0.0002922800000000, 0.0014954400000000 ] - [ 0.0015204100000000, 0.0119722000000000, -0.0011845600000000 ] - [ -0.0067864900000000, -0.0108300700000000, -0.0099551300000000 ] - [ -0.0001611600000000, 0.0013155400000000, 0.0000103500000000 ] - [ -0.0071412500000000, -0.0084106100000000, 0.0059033300000000 ] - [ -0.0000964000000000, 0.0018343100000000, 0.0001235600000000 ] - [ -0.0135271800000000, 0.0024094300000000, -0.0001492300000000 ] - [ -0.0004741000000000, 0.0001445400000000, -0.0004887100000000 ] - [ -0.0017254800000000, -0.0003856300000000, -0.0009107600000000 ] - [ -0.0019161300000000, 0.0005323800000000, -0.0008431600000000 ] - [ -0.0054476900000000, 0.0000839500000000, 0.0052348500000000 ] - [ -0.0007102700000000, -0.0000593000000000, -0.0001058300000000 ] - [ -0.0056534000000000, 0.0041559800000000, -0.0015446000000000 ] - [ -0.0011814900000000, 0.0009329600000000, 0.0002244600000000 ] - [ -0.0005718900000000, -0.0000872900000000, -0.0004192900000000 ] - [ -0.0008573600000000, 0.0002961000000000, -0.0005038800000000 ] - [ 0.0617276000000000, -0.0053417600000000, -0.0218354000000000 ] - [ -0.0006151400000000, -0.0004903400000000, -0.0004240900000000 ] - [ 0.0006650200000000, -0.0025761100000000, -0.0019408200000000 ] - [ -0.0017729700000000, 0.0017023000000000, 0.0008339700000000 ] - [ -0.0006790500000000, 0.0016017800000000, -0.0009846200000000 ] - [ -0.0007231900000000, -0.0006848200000000, 0.0003059500000000 ] - [ -0.0000556700000000, 0.0017358700000000, -0.0001768100000000 ] - [ -0.0005819800000000, -0.0016962000000000, -0.0008854800000000 ] - [ 0.0007653000000000, -0.0014823900000000, 0.0012510100000000 ] - [ -0.0015763300000000, 0.0023094300000000, -0.0006545200000000 ] - [ -0.0008638100000000, -0.0002480200000000, -0.0007512500000000 ] - [ -0.0004277100000000, -0.0003208700000000, 0.0000274400000000 ] - [ 0.0015868800000000, -0.0256611000000000, -0.0076631900000000 ] - [ -0.0003640100000000, -0.0008388700000000, 0.0002933800000000 ] - [ -0.0043152700000000, -0.0015861700000000, -0.0183021200000000 ] - [ -0.0001750900000000, -0.0001840600000000, 0.0011506700000000 ] - [ -0.0010455700000000, 0.0000663200000000, 0.0022948100000000 ] - [ -0.0004039300000000, -0.0002264000000000, 0.0009126800000000 ] - [ -0.3045919300000000, 0.1284588100000000, 0.1678996900000000 ] - [ -0.0001536300000000, -0.0001825500000000, -0.0002017200000000 ] - [ -0.0020000100000000, -0.0007491000000000, 0.0002877400000000 ] - [ -0.0010103800000000, -0.0005571100000000, 0.0001588500000000 ] - [ -0.0048192300000000, 0.0019079200000000, -0.0041452500000000 ] - [ -0.0006343100000000, 0.0001444300000000, -0.0004741000000000 ] - [ -0.0031526800000000, -0.0014122100000000, -0.0011404500000000 ] - [ -0.0031469500000000, -0.0029317700000000, -0.0014910900000000 ] - [ -0.0008662600000000, 0.0002554500000000, 0.0002029700000000 ] - [ -0.0004269200000000, -0.0023539200000000, 0.0033522200000000 ] - [ -0.0009095100000000, -0.0042250200000000, -0.0098940300000000 ] - [ -0.0001972400000000, -0.0001645600000000, 0.0009126800000000 ] - [ -0.0002243700000000, -0.0126141100000000, 0.0042512400000000 ] - [ -0.0004257900000000, -0.0009587300000000, 0.0001030400000000 ] - [ -0.0001541000000000, 0.0007919300000000, 0.0002826300000000 ] - [ -0.0000991800000000, -0.0016744900000000, -0.0020074500000000 ] - [ 0.0063822800000000, 0.0090347300000000, -0.0069988500000000 ] - [ -0.0000955600000000, -0.0001931500000000, 0.0001466500000000 ] - [ -0.0010505800000000, 0.0032926700000000, 0.0028702000000000 ] - [ 0.0005170400000000, -0.0013325600000000, -0.0004222500000000 ] - [ 0.0102803900000000, 0.0075267100000000, 0.0101906600000000 ] - [ 0.0002125000000000, -0.0007759700000000, -0.0007042600000000 ] - [ -0.0000982300000000, 0.0032443700000000, -0.0032273700000000 ] - [ 0.0007163700000000, -0.0005375700000000, 0.0000600700000000 ] - [ 0.0010876200000000, 0.0002218300000000, -0.0023366300000000 ] - [ -0.0001140600000000, -0.0000231800000000, -0.0003249600000000 ] - [ -0.0013148500000000, 0.0006269500000000, -0.0002183400000000 ] - [ 0.0021982800000000, -0.0031092200000000, -0.0005424300000000 ] - [ 0.0179923300000000, -0.0064920300000000, -0.0027575600000000 ] - [ 0.0000526600000000, -0.0000243800000000, 0.0003552400000000 ] - [ 0.0006610200000000, 0.0004354200000000, 0.0002417000000000 ] - [ 0.0007083500000000, -0.0001738100000000, 0.0003545500000000 ] - [ 0.0020908100000000, 0.0031851100000000, 0.0014779700000000 ] - [ -0.0005208200000000, -0.0005123000000000, -0.0000734500000000 ] - [ 0.0020307700000000, -0.0000903900000000, 0.0035576300000000 ] - [ -0.0001449800000000, -0.0007622300000000, 0.0007067900000000 ] - [ 0.0022733800000000, 0.0006670200000000, -0.0018567000000000 ] - [ 0.0001656500000000, -0.0001741100000000, -0.0001933300000000 ] - [ 0.0026986100000000, 0.0034598100000000, -0.0002224400000000 ] - [ -0.0002400400000000, -0.0012472200000000, 0.0004396300000000 ] - [ 0.0005664700000000, -0.0010232300000000, -0.0003437500000000 ] - [ 0.0001769400000000, -0.0004600800000000, -0.0001131100000000 ] - [ 0.0001382400000000, 0.0007761300000000, -0.0002682800000000 ] - [ 0.0021868200000000, -0.0016889600000000, 0.0001963700000000 ] - [ 0.0025944200000000, -0.0000938100000000, -0.0023786300000000 ] - [ 0.0001750300000000, -0.0001503200000000, -0.0008386100000000 ] - [ 0.0005149400000000, 0.0004011100000000, -0.0005153700000000 ] - [ 0.0005868600000000, -0.0000529800000000, -0.0006808400000000 ] - [ 0.0095019400000000, 0.0026787900000000, 0.0035427200000000 ] - [ 0.0006427700000000, 0.0001607900000000, 0.0004824300000000 ] - [ 0.0015422700000000, -0.0005163100000000, 0.0008213000000000 ] - [ 0.0015425500000000, -0.0005962200000000, 0.0008280900000000 ] - [ 0.0038994400000000, 0.0013022300000000, -0.0020440300000000 ] - [ 0.0002427900000000, -0.0000268300000000, 0.0001558800000000 ] - [ 0.0030950400000000, -0.0013774400000000, -0.0007674000000000 ] - [ 0.0009858800000000, -0.0005017900000000, -0.0001384100000000 ] - [ 0.0027661000000000, -0.0003503300000000, -0.0044554900000000 ] - [ 0.0001687900000000, -0.0000793900000000, -0.0010797800000000 ] - [ 0.0010105800000000, -0.0009555500000000, 0.0004477800000000 ] - [ 0.0002653500000000, -0.0000803900000000, -0.0012249300000000 ] - [ 0.0026577500000000, -0.0022513400000000, 0.0014227100000000 ] - [ 0.0003471500000000, -0.0002079100000000, -0.0001103900000000 ] - [ 0.0010297900000000, -0.0010674900000000, -0.0011417400000000 ] - [ 0.0002859700000000, -0.0004074500000000, -0.0001986700000000 ] - [ -0.0002301700000000, 0.0032652500000000, -0.0016450100000000 ] - [ 0.0009946200000000, -0.0017399500000000, 0.0004212200000000 ] - [ 0.0002747900000000, -0.0000985700000000, 0.0000938100000000 ] - [ 0.0006878200000000, 0.0021231100000000, 0.0010402200000000 ] - [ -0.0001175800000000, 0.0034010000000000, 0.0034360500000000 ] - [ 0.0009608700000000, -0.0006252300000000, -0.0000299200000000 ] - [ 0.0007708400000000, -0.0008083600000000, 0.0000932200000000 ] - [ 0.0011345100000000, 0.0015739100000000, -0.0008916700000000 ] - [ 0.0022109800000000, -0.0002958900000000, -0.0008958400000000 ] - [ 0.0004833700000000, -0.0003539800000000, 0.0004002400000000 ] - [ 0.0027065000000000, -0.0005726000000000, 0.0014323800000000 ] - [ 0.0003568200000000, 0.0001621900000000, 0.0003680100000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026289600000000, 0.0058321000000000, -0.0084566600000000 ] - [ -0.0009235000000000, -0.0016307800000000, 0.0002820200000000 ] - [ -0.0009280400000000, -0.0096749900000000, 0.0069878200000000 ] - [ -0.0033471700000000, 0.0008086700000000, 0.0004718300000000 ] - [ -0.0338233300000000, 0.0104753600000000, 0.0081677700000000 ] - [ -0.0003023300000000, -0.0007705900000000, 0.0004049200000000 ] - [ -0.0029303500000000, 0.0023639300000000, -0.0003838800000000 ] - [ 0.0001965600000000, -0.0026301100000000, 0.0009942900000000 ] - [ 0.0045718600000000, -0.0000133000000000, -0.0014784700000000 ] - [ 0.0002904300000000, -0.0004447100000000, -0.0002988600000000 ] - [ 0.0028972500000000, 0.0025212300000000, -0.0001834800000000 ] - [ 0.0020774200000000, -0.0024551600000000, -0.0000991200000000 ] - [ 0.0219464800000000, 0.0095215200000000, 0.0048880900000000 ] - [ 0.0008681200000000, -0.0015781500000000, -0.0002727600000000 ] - [ 0.0016887800000000, -0.0012028000000000, -0.0003173900000000 ] - [ 0.0015171100000000, 0.0013558300000000, -0.0007820700000000 ] - [ -0.0020425400000000, 0.0049862500000000, 0.0021999100000000 ] - [ 0.0008385200000000, -0.0017993800000000, 0.0006850500000000 ] - [ 0.0013158000000000, -0.0033688700000000, -0.0016449200000000 ] - [ -0.0013604500000000, 0.0055688800000000, -0.0010781900000000 ] - [ -0.2078724800000000, 0.0810917500000000, 0.1146788000000000 ] - [ -0.0004912900000000, -0.0011534700000000, 0.0005127400000000 ] - [ -0.0019284700000000, -0.0007123000000000, 0.0010178900000000 ] - [ -0.0014033000000000, -0.0004280700000000, 0.0004966200000000 ] - [ -0.0018009200000000, -0.0010447000000000, -0.0111118900000000 ] - [ -0.0007950900000000, 0.0004971800000000, 0.0002154000000000 ] - [ -0.0036124900000000, -0.0009380000000000, -0.0008657700000000 ] - [ -0.0017384000000000, -0.0125366400000000, 0.0017900300000000 ] - [ 0.0067433300000000, 0.0102116600000000, 0.0098434600000000 ] - [ 0.0001659900000000, -0.0017880400000000, -0.0000105200000000 ] - [ 0.0070749100000000, 0.0087987700000000, -0.0058343900000000 ] - [ 0.0001012300000000, -0.0013243200000000, -0.0001216600000000 ] - [ 0.0136528100000000, -0.0017072200000000, -0.0004407100000000 ] - [ 0.0007182200000000, 0.0005060500000000, -0.0001272700000000 ] - [ 0.0019571900000000, -0.0002787500000000, 0.0002861000000000 ] - [ 0.0021439900000000, -0.0011703600000000, 0.0002188200000000 ] - [ 0.0051004600000000, -0.0007540700000000, -0.0058738200000000 ] - [ 0.0004467300000000, -0.0005929300000000, -0.0005013700000000 ] - [ 0.0053250300000000, -0.0035302100000000, 0.0009367000000000 ] - [ 0.0009070000000000, -0.0002660700000000, -0.0008312400000000 ] - [ 0.0001639500000000, 0.0002864700000000, -0.0003407400000000 ] - [ 0.0004315100000000, -0.0000924900000000, -0.0002642700000000 ] - [ -0.0637922800000000, 0.0052631600000000, 0.0216564700000000 ] - [ 0.0001882900000000, 0.0002833700000000, -0.0003438000000000 ] - [ -0.0015169600000000, 0.0021203400000000, 0.0011840900000000 ] - [ 0.0009093200000000, -0.0021231400000000, -0.0015589900000000 ] - [ -0.0001592900000000, -0.0011425400000000, 0.0002209700000000 ] - [ -0.0001489200000000, 0.0011116700000000, -0.0010329600000000 ] - [ -0.0002135600000000, -0.0026421500000000, -0.0000013700000000 ] - [ 0.0002751900000000, 0.0007495400000000, 0.0006858500000000 ] - [ -0.0010498200000000, 0.0023969100000000, -0.0014227000000000 ] - [ 0.0012821400000000, -0.0013604200000000, 0.0004582000000000 ] - [ 0.0005972900000000, 0.0008862200000000, 0.0010795500000000 ] - [ 0.0001509000000000, 0.0009790100000000, 0.0003067100000000 ] - [ -0.0015394800000000, 0.0249192700000000, 0.0080690200000000 ] - [ 0.0000885900000000, 0.0001721000000000, 0.0000427700000000 ] - [ 0.0047083500000000, 0.0018021800000000, 0.0198006000000000 ] - [ 0.0001860900000000, 0.0003910500000000, 0.0007620300000000 ] - [ 0.0010647800000000, -0.0002849700000000, -0.0003591600000000 ] - [ 0.0004177100000000, 0.0000182700000000, 0.0009981500000000 ] - [ 0.3110996100000000, -0.1335893700000000, -0.1764789700000000 ] - [ 0.0004824200000000, 0.0000576600000000, -0.0004340500000000 ] - [ 0.0023063400000000, 0.0008548200000000, -0.0009073500000000 ] - [ 0.0013309000000000, 0.0006754800000000, -0.0007849200000000 ] - [ 0.0044212600000000, -0.0017509500000000, 0.0034519100000000 ] - [ 0.0002900900000000, -0.0000151300000000, -0.0001660600000000 ] - [ 0.0027803300000000, 0.0012615200000000, 0.0004857600000000 ] - [ 0.0027825100000000, 0.0027820500000000, 0.0008382800000000 ] - [ 0.0008464600000000, -0.0000492400000000, 0.0016991100000000 ] - [ 0.0004097700000000, 0.0025443500000000, -0.0014187800000000 ] - [ 0.0008656500000000, 0.0039678000000000, 0.0116666800000000 ] - [ 0.0001806100000000, -0.0000421800000000, 0.0010002000000000 ] - [ 0.0004644900000000, 0.0118421200000000, -0.0038627500000000 ] - [ 0.0006941200000000, 0.0002901800000000, 0.0002322000000000 ] - [ 0.0004286200000000, -0.0001313100000000, 0.0000539200000000 ] - [ 0.0003708900000000, 0.0023227300000000, 0.0023182600000000 ] - [ -0.0060240800000000, -0.0079935800000000, 0.0067309400000000 ] - [ 0.0003902300000000, 0.0011229900000000, -0.0003322800000000 ] - [ 0.0013286700000000, -0.0041842800000000, -0.0030203600000000 ] - [ -0.0002137300000000, 0.0003924200000000, 0.0002287400000000 ] - [ -0.0092797300000000, -0.0078586500000000, -0.0107753300000000 ] - [ 0.0006528200000000, 0.0003383000000000, -0.0000365500000000 ] - [ 0.0009562500000000, -0.0027703200000000, 0.0024461700000000 ] - [ 0.0001554100000000, 0.0009673200000000, -0.0007901400000000 ] - [ -0.0006760700000000, -0.0000194100000000, 0.0015471600000000 ] - [ 0.0005333000000000, 0.0002241800000000, -0.0004408300000000 ] - [ 0.0017143100000000, -0.0008277700000000, -0.0005462000000000 ] - [ -0.0017751600000000, 0.0028912100000000, -0.0002223600000000 ] - [ -0.0182191400000000, 0.0066222300000000, 0.0034945700000000 ] - [ -0.0004722500000000, 0.0002279200000000, 0.0004119400000000 ] - [ -0.0010772600000000, -0.0006402500000000, 0.0005265100000000 ] - [ -0.0011325900000000, -0.0000294900000000, 0.0004147700000000 ] - [ -0.0029350000000000, -0.0027201000000000, -0.0007284900000000 ] - [ -0.0003550100000000, 0.0009390700000000, 0.0008017300000000 ] - [ -0.0028866600000000, -0.0003394200000000, -0.0027887900000000 ] - [ -0.0007203300000000, 0.0003228300000000, 0.0000343400000000 ] - [ -0.0025569800000000, 0.0002737500000000, 0.0020253600000000 ] - [ -0.0004622700000000, 0.0011051100000000, 0.0003794400000000 ] - [ -0.0029763800000000, -0.0043528400000000, 0.0004083700000000 ] - [ -0.0000628700000000, 0.0003061700000000, -0.0002462400000000 ] - [ -0.0008440100000000, 0.0003495500000000, 0.0000049600000000 ] - [ -0.0004481400000000, -0.0001985900000000, -0.0002192700000000 ] - [ -0.0004111900000000, -0.0001051700000000, -0.0000709500000000 ] - [ -0.0024468500000000, 0.0023093800000000, -0.0005280400000000 ] - [ -0.0025637500000000, -0.0001143400000000, 0.0004376400000000 ] - [ -0.0001581700000000, -0.0000590500000000, -0.0010700900000000 ] - [ -0.0004975100000000, -0.0001918200000000, -0.0013926200000000 ] - [ -0.0005727300000000, 0.0002590500000000, -0.0012295500000000 ] - [ -0.0091216800000000, -0.0025434200000000, -0.0028898900000000 ] - [ -0.0002982100000000, -0.0000330100000000, 0.0001574100000000 ] - [ -0.0011930900000000, 0.0003842100000000, -0.0001758800000000 ] - [ -0.0011928000000000, 0.0004617800000000, -0.0001831400000000 ] - [ -0.0041967800000000, -0.0014134800000000, 0.0026662500000000 ] - [ -0.0005655400000000, -0.0000987500000000, 0.0004743800000000 ] - [ -0.0034034000000000, 0.0015016300000000, 0.0013917200000000 ] - [ -0.0013044100000000, 0.0006174200000000, 0.0007667400000000 ] - [ -0.0027817700000000, 0.0005651800000000, 0.0025763000000000 ] - [ -0.0001780000000000, 0.0002825100000000, -0.0008298700000000 ] - [ -0.0010184300000000, 0.0007572600000000, -0.0023586500000000 ] - [ -0.0002761800000000, -0.0001297300000000, -0.0006865500000000 ] - [ -0.0023826100000000, 0.0029386900000000, -0.0017681400000000 ] - [ -0.0000670600000000, 0.0008638700000000, -0.0002236600000000 ] - [ -0.0007467100000000, 0.0004150100000000, 0.0008121500000000 ] - [ -0.0000091200000000, -0.0002596300000000, -0.0001380400000000 ] - [ 0.0005518900000000, -0.0042199500000000, 0.0018510600000000 ] - [ -0.0006833400000000, 0.0007927700000000, -0.0002262800000000 ] - [ 0.0000247700000000, 0.0010332100000000, 0.0000955500000000 ] - [ -0.0003722100000000, -0.0011755900000000, -0.0008433900000000 ] - [ 0.0010091600000000, -0.0029787200000000, -0.0027197400000000 ] - [ -0.0000838300000000, 0.0010510600000000, 0.0007592800000000 ] - [ 0.0001021000000000, 0.0003778700000000, 0.0006377700000000 ] - [ -0.0002495100000000, -0.0019958900000000, 0.0016195200000000 ] - [ -0.0017271600000000, 0.0000817800000000, 0.0016675700000000 ] - [ -0.0000554000000000, 0.0001444800000000, 0.0003676100000000 ] - [ -0.0022306300000000, 0.0007939600000000, -0.0006513400000000 ] - [ 0.0000728500000000, 0.0000394900000000, 0.0003990000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010766400000000, 0.0043501500000000, -0.0023120300000000 ] - [ -0.0005921300000000, -0.0023702100000000, 0.0002512100000000 ] - [ 0.0022425800000000, -0.0123547700000000, 0.0094925000000000 ] - [ -0.0018887900000000, -0.0018304400000000, 0.0002060700000000 ] - [ -0.0075904600000000, 0.0093757000000000, 0.0026026800000000 ] - [ -0.0001549800000000, -0.0016853700000000, 0.0005109900000000 ] - [ -0.0016900900000000, 0.0005659400000000, -0.0005881500000000 ] - [ 0.0006005000000000, -0.0022448900000000, 0.0010979700000000 ] - [ 0.0013830300000000, 0.0019227400000000, -0.0011530000000000 ] - [ -0.0000644500000000, -0.0010230400000000, -0.0002666500000000 ] - [ 0.0001789400000000, 0.0007907900000000, -0.0001283300000000 ] - [ 0.0013171900000000, -0.0020040400000000, -0.0003750000000000 ] - [ 0.0025577700000000, 0.0030459400000000, 0.0005971400000000 ] - [ 0.0006718200000000, -0.0022762200000000, -0.0002451100000000 ] - [ 0.0015355300000000, 0.0004716300000000, -0.0002776500000000 ] - [ 0.0003291200000000, -0.0005357000000000, -0.0005334500000000 ] - [ -0.0017086300000000, 0.0013702600000000, -0.0010364500000000 ] - [ 0.0014491700000000, -0.0020505500000000, 0.0010659100000000 ] - [ 0.0021161100000000, -0.0037093900000000, -0.0024135900000000 ] - [ -0.0013049800000000, 0.0008289300000000, 0.0007160700000000 ] - [ -0.0833618500000000, 0.1255081700000000, 0.0705301300000000 ] - [ -0.0001517300000000, -0.0022808700000000, 0.0004888500000000 ] - [ 0.0003548400000000, 0.0027886200000000, 0.0032095800000000 ] - [ -0.0004934100000000, -0.0013147100000000, 0.0000796300000000 ] - [ 0.0001135600000000, 0.0000538600000000, -0.0059293900000000 ] - [ -0.0006270400000000, -0.0005621400000000, 0.0003133500000000 ] - [ -0.0036525700000000, -0.0027530100000000, -0.0012483600000000 ] - [ -0.0001880000000000, -0.0094250600000000, 0.0018335100000000 ] - [ 0.0005988800000000, 0.0038776800000000, 0.0020134900000000 ] - [ 0.0000866400000000, -0.0021312200000000, -0.0000630400000000 ] - [ 0.0013393300000000, 0.0037158900000000, -0.0012649300000000 ] - [ 0.0000436900000000, -0.0015675000000000, -0.0000712200000000 ] - [ 0.0049542000000000, -0.0001658200000000, -0.0011024600000000 ] - [ 0.0003104900000000, -0.0002642500000000, -0.0001088800000000 ] - [ 0.0005602200000000, -0.0008633800000000, -0.0002193400000000 ] - [ 0.0009665900000000, -0.0003777000000000, 0.0000358100000000 ] - [ 0.0015877400000000, 0.0015254200000000, -0.0008320600000000 ] - [ 0.0002298300000000, -0.0016206700000000, -0.0005061000000000 ] - [ 0.0042310000000000, 0.0027152400000000, 0.0004161500000000 ] - [ -0.0000637700000000, -0.0011529700000000, -0.0005110300000000 ] - [ -0.0006367600000000, -0.0001697700000000, -0.0007884400000000 ] - [ -0.0000946900000000, 0.0004069000000000, -0.0003141700000000 ] - [ 0.0021303200000000, -0.0145299900000000, -0.0005654600000000 ] - [ 0.0002884800000000, 0.0005418700000000, -0.0003071600000000 ] - [ -0.0021412000000000, 0.0028102300000000, 0.0017770600000000 ] - [ 0.0003078900000000, -0.0004434200000000, -0.0009897900000000 ] - [ -0.0004454500000000, -0.0007206100000000, 0.0007727600000000 ] - [ -0.0002566200000000, 0.0012118500000000, -0.0011423900000000 ] - [ 0.0000073000000000, -0.0013952400000000, -0.0006491800000000 ] - [ 0.0001464200000000, 0.0009225800000000, 0.0008554700000000 ] - [ -0.0016237300000000, 0.0029181600000000, -0.0018920400000000 ] - [ 0.0008316600000000, 0.0002695000000000, 0.0006030500000000 ] - [ -0.0001202500000000, -0.0016865600000000, -0.0004765900000000 ] - [ 0.0000398100000000, 0.0016686400000000, 0.0005253700000000 ] - [ -0.0340723200000000, 0.0391163600000000, 0.0186313900000000 ] - [ -0.0000800000000000, 0.0010869400000000, -0.0001923300000000 ] - [ -0.0024755800000000, -0.0142593700000000, 0.0052121000000000 ] - [ 0.0000923200000000, 0.0006664900000000, 0.0005649400000000 ] - [ 0.0000602000000000, -0.0008848000000000, -0.0022015700000000 ] - [ 0.0001467400000000, 0.0004126200000000, 0.0013696600000000 ] - [ 0.1325475500000000, -0.1413740000000000, -0.1017108700000000 ] - [ 0.0000252000000000, 0.0004781700000000, -0.0002154500000000 ] - [ 0.0009459700000000, -0.0000578300000000, -0.0007701200000000 ] - [ 0.0007611600000000, 0.0006537600000000, -0.0005588500000000 ] - [ 0.0016720800000000, -0.0009650400000000, 0.0014360100000000 ] - [ -0.0000706800000000, 0.0003324500000000, -0.0003019000000000 ] - [ 0.0027141000000000, 0.0019750300000000, 0.0007244700000000 ] - [ 0.0011823100000000, 0.0019652800000000, 0.0002134600000000 ] - [ 0.0007834200000000, 0.0003670500000000, 0.0016627600000000 ] - [ 0.0000400800000000, 0.0018584300000000, -0.0009443900000000 ] - [ -0.0006642500000000, 0.0016042500000000, 0.0065596000000000 ] - [ 0.0001452300000000, 0.0002280300000000, 0.0010284100000000 ] - [ -0.0020028100000000, 0.0079315400000000, -0.0021112900000000 ] - [ 0.0007381800000000, 0.0013268000000000, 0.0000374700000000 ] - [ 0.0002928800000000, 0.0008114800000000, 0.0002578700000000 ] - [ 0.0000552200000000, 0.0012934500000000, 0.0013054900000000 ] - [ -0.0008643700000000, -0.0034403900000000, 0.0017870400000000 ] - [ 0.0004792000000000, 0.0013470200000000, -0.0004545300000000 ] - [ 0.0011957700000000, -0.0022412500000000, -0.0010484500000000 ] - [ -0.0002233900000000, 0.0004622500000000, 0.0002439300000000 ] - [ -0.0006490000000000, -0.0038530900000000, -0.0032473700000000 ] - [ 0.0007454500000000, 0.0005924500000000, 0.0001093600000000 ] - [ 0.0009845000000000, -0.0012174500000000, 0.0008003300000000 ] - [ 0.0001251100000000, 0.0009653700000000, -0.0008166600000000 ] - [ -0.0011943900000000, -0.0004806100000000, 0.0009526400000000 ] - [ 0.0006385000000000, 0.0004817900000000, -0.0004598000000000 ] - [ 0.0016409200000000, -0.0002390200000000, -0.0004072400000000 ] - [ -0.0019821600000000, 0.0024617300000000, -0.0001152300000000 ] - [ -0.0072667300000000, 0.0024460300000000, 0.0016903600000000 ] - [ -0.0003375900000000, 0.0003945800000000, 0.0003653700000000 ] - [ -0.0001694800000000, -0.0001073600000000, 0.0004276700000000 ] - [ -0.0006618800000000, -0.0000727200000000, 0.0003361500000000 ] - [ -0.0011737600000000, -0.0010373100000000, -0.0002235000000000 ] - [ -0.0002818600000000, 0.0009386300000000, 0.0008176700000000 ] - [ -0.0005223200000000, -0.0010918900000000, 0.0003737000000000 ] - [ -0.0007360200000000, 0.0005109000000000, -0.0000373700000000 ] - [ -0.0002265800000000, -0.0004385100000000, 0.0000794100000000 ] - [ -0.0004812700000000, 0.0012632400000000, 0.0004380300000000 ] - [ -0.0008778900000000, -0.0019759400000000, 0.0003222600000000 ] - [ 0.0000123700000000, 0.0003918500000000, -0.0002486600000000 ] - [ -0.0003749300000000, -0.0004907500000000, -0.0002358500000000 ] - [ -0.0002329300000000, 0.0001852800000000, -0.0000400700000000 ] - [ -0.0001598300000000, 0.0006460200000000, -0.0002693900000000 ] - [ -0.0010404000000000, 0.0011861900000000, -0.0001905200000000 ] - [ -0.0008995900000000, -0.0003854600000000, 0.0001776700000000 ] - [ -0.0000706700000000, 0.0001411600000000, -0.0011632600000000 ] - [ -0.0001130800000000, 0.0001049900000000, -0.0009680400000000 ] - [ -0.0002352700000000, 0.0001632700000000, -0.0011333400000000 ] - [ -0.0024486400000000, -0.0007940500000000, -0.0005220900000000 ] - [ 0.0000530300000000, 0.0002516200000000, 0.0002775000000000 ] - [ -0.0003798400000000, 0.0001557200000000, 0.0001206900000000 ] - [ -0.0003031600000000, 0.0001582000000000, 0.0000973600000000 ] - [ -0.0014963500000000, -0.0009048500000000, 0.0009277900000000 ] - [ -0.0001802500000000, 0.0002504300000000, 0.0002881200000000 ] - [ -0.0015853400000000, 0.0000139100000000, 0.0006329200000000 ] - [ -0.0007045000000000, 0.0005924300000000, 0.0005632100000000 ] - [ -0.0004261900000000, -0.0004330900000000, -0.0010467900000000 ] - [ -0.0001135600000000, 0.0005390800000000, -0.0006337600000000 ] - [ -0.0008141700000000, -0.0004009100000000, -0.0015562000000000 ] - [ -0.0000183300000000, 0.0002109500000000, -0.0009725100000000 ] - [ -0.0005198100000000, -0.0013546100000000, 0.0000841500000000 ] - [ 0.0000466800000000, 0.0015459700000000, -0.0004277500000000 ] - [ -0.0003319800000000, -0.0015153500000000, -0.0002662000000000 ] - [ 0.0001195700000000, 0.0005714600000000, 0.0000745600000000 ] - [ 0.0005484700000000, -0.0014536000000000, 0.0003692500000000 ] - [ -0.0008633200000000, 0.0010111900000000, -0.0002126500000000 ] - [ -0.0001826900000000, 0.0007807300000000, -0.0001096500000000 ] - [ 0.0004760200000000, 0.0004562900000000, 0.0003800200000000 ] - [ 0.0009635100000000, -0.0006299100000000, -0.0000856200000000 ] - [ -0.0002012100000000, 0.0011638000000000, 0.0007695600000000 ] - [ -0.0001550400000000, 0.0001257400000000, 0.0010161900000000 ] - [ 0.0006064700000000, -0.0002658100000000, 0.0002298300000000 ] - [ -0.0003158300000000, -0.0006151700000000, 0.0006264500000000 ] - [ -0.0002258600000000, 0.0004070500000000, 0.0003256000000000 ] - [ -0.0036519300000000, -0.0007725800000000, -0.0009659900000000 ] - [ 0.0006384500000000, 0.0005801100000000, 0.0004735300000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006344400000000, -0.0049109900000000, 0.0030700900000000 ] - [ 0.0001595000000000, 0.0018646900000000, 0.0004279100000000 ] - [ -0.0026625500000000, 0.0128028600000000, -0.0087426500000000 ] - [ 0.0014695000000000, 0.0023346300000000, 0.0004760100000000 ] - [ 0.0081438800000000, -0.0087819000000000, -0.0019725300000000 ] - [ 0.0005855200000000, 0.0021892900000000, 0.0001698800000000 ] - [ 0.0021236500000000, -0.0010581200000000, 0.0012675900000000 ] - [ -0.0001685100000000, 0.0017452400000000, -0.0004233400000000 ] - [ -0.0018247100000000, -0.0014293600000000, 0.0004774000000000 ] - [ -0.0003699200000000, 0.0015296000000000, -0.0004118600000000 ] - [ -0.0006142000000000, -0.0012845600000000, -0.0005510200000000 ] - [ -0.0017587600000000, 0.0015032600000000, -0.0003023600000000 ] - [ -0.0022100900000000, -0.0035903000000000, -0.0013062700000000 ] - [ -0.0002385000000000, 0.0017685300000000, -0.0004366100000000 ] - [ -0.0010997700000000, 0.0000471200000000, -0.0004031100000000 ] - [ 0.0001020700000000, 0.0010292400000000, -0.0001475600000000 ] - [ 0.0017216800000000, -0.0009157900000000, 0.0010412000000000 ] - [ -0.0014394900000000, 0.0025271400000000, -0.0010585300000000 ] - [ -0.0021009300000000, 0.0032185100000000, 0.0023957100000000 ] - [ 0.0013144500000000, -0.0013383400000000, -0.0007218300000000 ] - [ 0.0810947700000000, -0.1260477200000000, -0.0678072900000000 ] - [ 0.0003976900000000, 0.0016105500000000, 0.0001287200000000 ] - [ -0.0001067600000000, -0.0020852200000000, -0.0025773900000000 ] - [ 0.0007433300000000, 0.0019807100000000, 0.0005371100000000 ] - [ -0.0003496300000000, 0.0006047300000000, 0.0065829200000000 ] - [ 0.0003800800000000, 0.0012330800000000, 0.0003044700000000 ] - [ 0.0033919900000000, 0.0020819700000000, 0.0018578000000000 ] - [ -0.0000515200000000, 0.0088066100000000, -0.0012248300000000 ] - [ -0.0005914800000000, -0.0043428300000000, -0.0020021300000000 ] - [ -0.0000869100000000, 0.0016533800000000, 0.0000624700000000 ] - [ -0.0013430400000000, -0.0032295500000000, 0.0012654500000000 ] - [ -0.0000437500000000, 0.0020487300000000, 0.0000726700000000 ] - [ -0.0047321300000000, 0.0008219300000000, 0.0004792900000000 ] - [ -0.0000668900000000, 0.0009365000000000, -0.0005078600000000 ] - [ -0.0003160200000000, 0.0002003200000000, -0.0003986700000000 ] - [ -0.0007283200000000, -0.0002976700000000, -0.0006557400000000 ] - [ -0.0018566800000000, -0.0021751900000000, 0.0002335300000000 ] - [ -0.0004739700000000, 0.0009482400000000, -0.0001106500000000 ] - [ -0.0044591200000000, -0.0020113800000000, -0.0010321400000000 ] - [ -0.0001822700000000, 0.0018190400000000, -0.0001036500000000 ] - [ 0.0003056800000000, 0.0003394600000000, 0.0000479600000000 ] - [ -0.0002400100000000, -0.0002279900000000, -0.0004262600000000 ] - [ -0.0022430500000000, 0.0142851800000000, -0.0002581600000000 ] - [ -0.0006168800000000, -0.0007166000000000, -0.0004300300000000 ] - [ 0.0012132300000000, -0.0031573600000000, -0.0024455300000000 ] - [ -0.0012340000000000, 0.0000896600000000, 0.0003195800000000 ] - [ -0.0004680800000000, 0.0010959000000000, -0.0014660300000000 ] - [ -0.0006626800000000, -0.0008473900000000, 0.0004603100000000 ] - [ -0.0003757500000000, 0.0004246300000000, 0.0004149900000000 ] - [ -0.0005201900000000, -0.0019070200000000, -0.0010932800000000 ] - [ 0.0012451700000000, -0.0019211000000000, 0.0016428900000000 ] - [ -0.0012113800000000, 0.0007256500000000, -0.0008515300000000 ] - [ -0.0001514300000000, 0.0024202900000000, 0.0008087600000000 ] - [ -0.0003105600000000, -0.0009094000000000, -0.0001788700000000 ] - [ 0.0329916800000000, -0.0387249500000000, -0.0177883600000000 ] - [ -0.0001903500000000, -0.0018442100000000, 0.0005401200000000 ] - [ 0.0025964600000000, 0.0143694700000000, -0.0035794500000000 ] - [ -0.0001022800000000, -0.0004384400000000, 0.0012465100000000 ] - [ -0.0000708300000000, 0.0006445100000000, 0.0039913900000000 ] - [ -0.0001564700000000, -0.0006376900000000, 0.0004430300000000 ] - [ -0.1294351900000000, 0.1402693900000000, 0.0987859400000000 ] - [ 0.0002435600000000, -0.0005633300000000, -0.0003581300000000 ] - [ -0.0006805900000000, 0.0001381100000000, 0.0001955700000000 ] - [ -0.0004939200000000, -0.0005661000000000, -0.0000134000000000 ] - [ -0.0019655300000000, 0.0010621800000000, -0.0020244700000000 ] - [ -0.0002046500000000, -0.0002440400000000, -0.0002728600000000 ] - [ -0.0029766000000000, -0.0020565100000000, -0.0012948400000000 ] - [ -0.0014656200000000, -0.0020647000000000, -0.0007919500000000 ] - [ -0.0007741700000000, -0.0001406600000000, 0.0001522000000000 ] - [ -0.0000364200000000, -0.0016406600000000, 0.0027682000000000 ] - [ 0.0006756600000000, -0.0018410100000000, -0.0047771700000000 ] - [ -0.0001396600000000, -0.0004537600000000, 0.0007814100000000 ] - [ 0.0023065100000000, -0.0087665700000000, 0.0024767300000000 ] - [ -0.0004694600000000, -0.0020806400000000, 0.0003102000000000 ] - [ -0.0000259200000000, -0.0000580700000000, 0.0000869300000000 ] - [ 0.0002101600000000, -0.0005347800000000, -0.0009644300000000 ] - [ 0.0012244300000000, 0.0044282200000000, -0.0020248400000000 ] - [ -0.0001127600000000, -0.0003607900000000, 0.0002142100000000 ] - [ -0.0008304600000000, 0.0012521600000000, 0.0008073600000000 ] - [ 0.0005917800000000, -0.0014485100000000, -0.0004844800000000 ] - [ 0.0015425600000000, 0.0034903400000000, 0.0025624600000000 ] - [ 0.0001706100000000, -0.0009539700000000, -0.0007888600000000 ] - [ -0.0000704400000000, 0.0015826300000000, -0.0014846700000000 ] - [ 0.0007915100000000, -0.0006037000000000, 0.0001380800000000 ] - [ 0.0015302200000000, 0.0006589100000000, -0.0016988600000000 ] - [ -0.0003078500000000, -0.0003065400000000, -0.0002781700000000 ] - [ -0.0013046400000000, 0.0000617200000000, -0.0003301600000000 ] - [ 0.0023248700000000, -0.0026543400000000, -0.0006246200000000 ] - [ 0.0069740500000000, -0.0022875400000000, -0.0009564500000000 ] - [ 0.0000095200000000, -0.0002193900000000, 0.0003725200000000 ] - [ -0.0001581200000000, -0.0000689800000000, 0.0003096100000000 ] - [ 0.0003327700000000, -0.0001010300000000, 0.0004023800000000 ] - [ 0.0002598400000000, 0.0013976500000000, 0.0009025200000000 ] - [ -0.0006347900000000, -0.0005770500000000, -0.0001393500000000 ] - [ -0.0003951700000000, 0.0007306900000000, 0.0002998500000000 ] - [ -0.0001772400000000, -0.0008753100000000, 0.0007199300000000 ] - [ -0.0001428400000000, 0.0014252400000000, 0.0001637200000000 ] - [ 0.0001172700000000, -0.0002795800000000, -0.0002002700000000 ] - [ 0.0005101900000000, 0.0009847200000000, -0.0000797900000000 ] - [ -0.0003773400000000, -0.0013762000000000, 0.0004885300000000 ] - [ 0.0001101500000000, -0.0002612200000000, -0.0001093400000000 ] - [ -0.0000319400000000, -0.0009466100000000, -0.0003071700000000 ] - [ -0.0001048200000000, 0.0001106300000000, -0.0000771100000000 ] - [ 0.0007804500000000, -0.0004290400000000, -0.0001568600000000 ] - [ 0.0009009100000000, 0.0001611900000000, -0.0019941200000000 ] - [ 0.0000660100000000, -0.0003689500000000, -0.0006480900000000 ] - [ 0.0001100800000000, 0.0001186900000000, -0.0008479500000000 ] - [ 0.0002320300000000, 0.0000651800000000, -0.0006791500000000 ] - [ 0.0027512100000000, 0.0008919300000000, 0.0011072200000000 ] - [ 0.0002227200000000, -0.0001648200000000, 0.0002974600000000 ] - [ 0.0006548000000000, -0.0002444800000000, 0.0004525000000000 ] - [ 0.0005773300000000, -0.0002431200000000, 0.0004758100000000 ] - [ 0.0012405100000000, 0.0008198200000000, -0.0003625400000000 ] - [ -0.0000869900000000, -0.0003375500000000, 0.0002842300000000 ] - [ 0.0013170000000000, 0.0000670000000000, -0.0000604700000000 ] - [ 0.0004366700000000, -0.0005042200000000, 0.0000113500000000 ] - [ 0.0004477800000000, 0.0006555700000000, -0.0007759700000000 ] - [ 0.0001239500000000, -0.0003121000000000, -0.0011755200000000 ] - [ 0.0008209100000000, 0.0001674500000000, -0.0002543900000000 ] - [ 0.0000290000000000, -0.0004368600000000, -0.0008389000000000 ] - [ 0.0007946300000000, 0.0020891000000000, -0.0004230800000000 ] - [ 0.0002241900000000, -0.0007856900000000, 0.0000803600000000 ] - [ 0.0006037700000000, 0.0007425900000000, -0.0000863000000000 ] - [ 0.0001514800000000, -0.0013221800000000, -0.0004203400000000 ] - [ -0.0001810100000000, 0.0004831000000000, -0.0001337000000000 ] - [ 0.0012296400000000, -0.0019940200000000, 0.0004541000000000 ] - [ 0.0005471800000000, 0.0002017700000000, 0.0003449800000000 ] - [ -0.0001043000000000, 0.0005396900000000, -0.0001375400000000 ] - [ -0.0000501400000000, 0.0010054500000000, 0.0007746400000000 ] - [ 0.0011179800000000, -0.0008018400000000, -0.0000917100000000 ] - [ 0.0010670100000000, -0.0004909100000000, -0.0003295000000000 ] - [ 0.0003125600000000, -0.0000896000000000, 0.0004468800000000 ] - [ 0.0006625800000000, 0.0004356200000000, 0.0001052500000000 ] - [ 0.0005575000000000, -0.0005823300000000, 0.0004129700000000 ] - [ 0.0039565100000000, 0.0009370000000000, 0.0016961700000000 ] - [ -0.0003083500000000, -0.0004040200000000, 0.0002650100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0024049900000000, 0.0088116700000000, -0.0147053000000000 ] - [ -0.0005031500000000, -0.0009422400000000, 0.0002893600000000 ] - [ -0.0007118700000000, -0.0033609900000000, 0.0043348000000000 ] - [ -0.0014381300000000, -0.0001262500000000, 0.0008144900000000 ] - [ 0.0002060500000000, 0.0003058300000000, 0.0050396400000000 ] - [ -0.0000033500000000, -0.0002698100000000, 0.0003878000000000 ] - [ -0.0012590500000000, 0.0001856900000000, -0.0008550600000000 ] - [ 0.0002145200000000, -0.0012671200000000, 0.0003770700000000 ] - [ 0.0018308200000000, 0.0005097400000000, -0.0018262400000000 ] - [ -0.0000173900000000, -0.0001343800000000, -0.0003533200000000 ] - [ 0.0008281800000000, 0.0006469900000000, 0.0004479800000000 ] - [ 0.0005482200000000, -0.0012930800000000, -0.0000801900000000 ] - [ 0.0052830200000000, 0.0025895400000000, 0.0018974200000000 ] - [ 0.0004900000000000, -0.0009082500000000, -0.0002758100000000 ] - [ 0.0008787200000000, -0.0004650900000000, -0.0006895200000000 ] - [ 0.0007241500000000, 0.0005860100000000, -0.0008475400000000 ] - [ -0.0010593000000000, 0.0015017600000000, -0.0012167900000000 ] - [ 0.0003615000000000, -0.0006136600000000, 0.0002558400000000 ] - [ 0.0005812200000000, -0.0017052500000000, -0.0006418900000000 ] - [ 0.0012946300000000, 0.0030126000000000, 0.0015589700000000 ] - [ -0.1257862100000000, 0.0747001000000000, 0.1797960800000000 ] - [ -0.0001202100000000, -0.0007935700000000, 0.0004105000000000 ] - [ -0.0009068000000000, -0.0009958100000000, -0.0029244200000000 ] - [ -0.0004771700000000, -0.0001045700000000, 0.0002250600000000 ] - [ -0.0017109700000000, -0.0000423500000000, -0.0094006900000000 ] - [ -0.0003935100000000, 0.0003015100000000, 0.0002487700000000 ] - [ -0.0014821200000000, -0.0007658900000000, 0.0002018900000000 ] - [ -0.0003594800000000, -0.0044336200000000, 0.0011964500000000 ] - [ 0.0002622600000000, 0.0018771900000000, 0.0018041800000000 ] - [ 0.0000613700000000, -0.0009306800000000, 0.0000003500000000 ] - [ 0.0042999400000000, 0.0053985700000000, -0.0037504500000000 ] - [ 0.0000411700000000, -0.0005050000000000, -0.0000508000000000 ] - [ 0.0054480800000000, -0.0007742100000000, -0.0005445000000000 ] - [ 0.0003496400000000, 0.0003888200000000, -0.0002422300000000 ] - [ 0.0007399800000000, -0.0004785200000000, -0.0001200900000000 ] - [ 0.0008970300000000, -0.0005440700000000, -0.0000965000000000 ] - [ 0.0044447600000000, -0.0009688800000000, -0.0009547900000000 ] - [ 0.0001090600000000, -0.0005219700000000, -0.0003850700000000 ] - [ 0.0018783800000000, -0.0000846000000000, 0.0000492200000000 ] - [ 0.0002162300000000, -0.0000662000000000, -0.0005178500000000 ] - [ 0.0002309400000000, 0.0002546100000000, 0.0001863100000000 ] - [ 0.0001107100000000, 0.0000334500000000, -0.0002707500000000 ] - [ -0.0079589600000000, 0.0011505600000000, -0.0108707000000000 ] - [ 0.0000369200000000, 0.0001133900000000, -0.0003508900000000 ] - [ -0.0009224200000000, 0.0008362200000000, 0.0002764700000000 ] - [ 0.0000374100000000, -0.0012142800000000, -0.0014178500000000 ] - [ -0.0012208600000000, -0.0015349700000000, 0.0025371000000000 ] - [ -0.0003539500000000, 0.0005688400000000, -0.0006154800000000 ] - [ -0.0016149100000000, -0.0032157100000000, -0.0011158500000000 ] - [ -0.0000106000000000, 0.0000546800000000, 0.0002101100000000 ] - [ -0.0006568400000000, 0.0013869700000000, -0.0007996600000000 ] - [ 0.0006554000000000, 0.0000554900000000, 0.0005274100000000 ] - [ 0.0003146100000000, 0.0018044000000000, 0.0031250800000000 ] - [ -0.0000177900000000, 0.0007801000000000, 0.0002840400000000 ] - [ -0.0075850400000000, 0.0098539200000000, -0.0105035200000000 ] - [ -0.0000569700000000, -0.0000931600000000, 0.0000812200000000 ] - [ -0.0305227600000000, 0.0086836400000000, 0.0496199300000000 ] - [ 0.0000602500000000, 0.0002806600000000, 0.0007604000000000 ] - [ 0.0008445400000000, -0.0006237300000000, 0.0018968900000000 ] - [ 0.0001478300000000, 0.0000165700000000, 0.0009778100000000 ] - [ 0.1758050200000000, -0.1023451700000000, -0.2085008100000000 ] - [ 0.0001976500000000, 0.0000627800000000, -0.0002991000000000 ] - [ 0.0006840700000000, 0.0004988100000000, 0.0003440300000000 ] - [ 0.0005524200000000, 0.0002820000000000, -0.0004003200000000 ] - [ 0.0037304500000000, -0.0017297800000000, 0.0033688600000000 ] - [ 0.0000693700000000, 0.0000245200000000, -0.0002016300000000 ] - [ 0.0010785900000000, 0.0004917400000000, -0.0000727400000000 ] - [ 0.0007370600000000, 0.0010052800000000, -0.0000664500000000 ] - [ 0.0003722300000000, 0.0002209900000000, 0.0010080900000000 ] - [ 0.0002181100000000, 0.0009759900000000, -0.0001815500000000 ] - [ -0.0011088900000000, 0.0028278000000000, 0.0083967600000000 ] - [ 0.0000792300000000, -0.0000661200000000, 0.0009234200000000 ] - [ 0.0005368600000000, 0.0034003100000000, -0.0022543700000000 ] - [ 0.0003506100000000, -0.0000575900000000, 0.0001351100000000 ] - [ 0.0002424100000000, 0.0003654900000000, 0.0002200800000000 ] - [ 0.0003978500000000, 0.0014820900000000, 0.0019060600000000 ] - [ -0.0041595400000000, -0.0039759200000000, 0.0035026800000000 ] - [ 0.0003161000000000, 0.0008328400000000, -0.0002571000000000 ] - [ 0.0010916000000000, -0.0013841500000000, -0.0008291400000000 ] - [ 0.0000342200000000, -0.0001293300000000, 0.0000245500000000 ] - [ 0.0005680800000000, -0.0020698300000000, -0.0035002900000000 ] - [ 0.0005662700000000, 0.0000894400000000, -0.0001742300000000 ] - [ 0.0007181000000000, -0.0015390700000000, 0.0014882200000000 ] - [ 0.0003395000000000, 0.0005097600000000, -0.0005012500000000 ] - [ -0.0005670200000000, -0.0002400700000000, 0.0014369100000000 ] - [ 0.0002876400000000, 0.0001590600000000, -0.0003864600000000 ] - [ 0.0007618800000000, -0.0003284300000000, -0.0005409500000000 ] - [ -0.0004192100000000, 0.0008073900000000, -0.0003570800000000 ] - [ -0.0080149400000000, 0.0029700000000000, 0.0017415000000000 ] - [ -0.0002379600000000, 0.0001379600000000, 0.0003737000000000 ] - [ -0.0003727300000000, -0.0001986800000000, 0.0004619400000000 ] - [ -0.0005119100000000, -0.0000701300000000, 0.0003972100000000 ] - [ -0.0019215100000000, -0.0016067200000000, -0.0003849700000000 ] - [ -0.0004142800000000, 0.0005046800000000, 0.0005149200000000 ] - [ -0.0007457500000000, -0.0005470500000000, 0.0001334200000000 ] - [ -0.0005940600000000, 0.0000834200000000, 0.0001704700000000 ] - [ -0.0017060500000000, 0.0005191700000000, 0.0015814700000000 ] - [ -0.0003472000000000, 0.0008267600000000, 0.0002802900000000 ] - [ -0.0004703400000000, -0.0010106900000000, -0.0000560900000000 ] - [ -0.0001358700000000, -0.0001635500000000, -0.0000272900000000 ] - [ -0.0004049300000000, -0.0002447200000000, -0.0000893800000000 ] - [ -0.0002429900000000, -0.0002562100000000, -0.0001753900000000 ] - [ -0.0002284700000000, 0.0002836100000000, -0.0001807300000000 ] - [ -0.0010764700000000, 0.0015578400000000, -0.0003593900000000 ] - [ -0.0010710300000000, -0.0001629200000000, 0.0000783800000000 ] - [ -0.0000701300000000, -0.0000929700000000, -0.0009238100000000 ] - [ -0.0001812700000000, 0.0000673700000000, -0.0010579600000000 ] - [ -0.0002276200000000, 0.0001707500000000, -0.0010132900000000 ] - [ -0.0031291800000000, -0.0008037900000000, -0.0008958900000000 ] - [ -0.0000791800000000, -0.0000024800000000, 0.0001982500000000 ] - [ -0.0004193800000000, 0.0001765200000000, 0.0001005800000000 ] - [ -0.0004117800000000, 0.0001545800000000, 0.0000993700000000 ] - [ -0.0024412900000000, -0.0006544400000000, 0.0012358800000000 ] - [ -0.0002407600000000, -0.0000139500000000, 0.0003171400000000 ] - [ -0.0011615500000000, 0.0003568200000000, 0.0005507200000000 ] - [ -0.0005325000000000, 0.0002847200000000, 0.0004302800000000 ] - [ -0.0009796300000000, 0.0000324300000000, -0.0008376100000000 ] - [ -0.0000609400000000, 0.0002218700000000, -0.0008133700000000 ] - [ -0.0004180100000000, -0.0000056300000000, -0.0012118000000000 ] - [ -0.0000882600000000, -0.0000955000000000, -0.0007527900000000 ] - [ -0.0006152400000000, 0.0007201000000000, -0.0006379300000000 ] - [ 0.0000595200000000, 0.0007429300000000, -0.0002296800000000 ] - [ -0.0005481900000000, 0.0001286800000000, 0.0001341100000000 ] - [ 0.0000801700000000, -0.0003252700000000, -0.0001433700000000 ] - [ -0.0001325100000000, -0.0013797000000000, 0.0000073700000000 ] - [ -0.0001786600000000, 0.0000721500000000, -0.0000384300000000 ] - [ 0.0001401100000000, 0.0007616900000000, 0.0001623300000000 ] - [ 0.0001807900000000, 0.0001516300000000, 0.0002862500000000 ] - [ 0.0006569200000000, -0.0004645300000000, -0.0000352700000000 ] - [ 0.0002387100000000, 0.0005401200000000, 0.0005071800000000 ] - [ 0.0003295900000000, 0.0001442300000000, 0.0004242700000000 ] - [ -0.0002510700000000, -0.0012259600000000, 0.0007661500000000 ] - [ -0.0032768200000000, 0.0004042900000000, 0.0007930000000000 ] - [ 0.0000128500000000, 0.0000517900000000, 0.0003560500000000 ] - [ -0.0010800300000000, 0.0000400900000000, -0.0002232800000000 ] - [ 0.0001584700000000, 0.0001362900000000, 0.0003593000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0027807000000000, -0.0092332300000000, 0.0152957100000000 ] - [ 0.0000737100000000, 0.0004415900000000, 0.0003900900000000 ] - [ 0.0002821200000000, 0.0039042800000000, -0.0037088000000000 ] - [ 0.0010061500000000, 0.0006319400000000, -0.0001412000000000 ] - [ 0.0002385500000000, 0.0001859700000000, -0.0043061000000000 ] - [ 0.0004323200000000, 0.0007759300000000, 0.0002899200000000 ] - [ 0.0016784900000000, -0.0006952300000000, 0.0015451700000000 ] - [ 0.0002137100000000, 0.0007707000000000, 0.0003069500000000 ] - [ -0.0022617300000000, -0.0000124400000000, 0.0011555700000000 ] - [ -0.0004127000000000, 0.0006392200000000, -0.0003267000000000 ] - [ -0.0012579300000000, -0.0011486600000000, -0.0011308400000000 ] - [ -0.0009724900000000, 0.0007904500000000, -0.0005984500000000 ] - [ -0.0049115700000000, -0.0031256700000000, -0.0025977000000000 ] - [ -0.0000618300000000, 0.0004086000000000, -0.0004045500000000 ] - [ -0.0004427500000000, 0.0009632400000000, 0.0000122100000000 ] - [ -0.0002909300000000, -0.0000770600000000, 0.0001679300000000 ] - [ 0.0010832600000000, -0.0010050500000000, 0.0011897700000000 ] - [ -0.0003650300000000, 0.0010966200000000, -0.0002605700000000 ] - [ -0.0005888300000000, 0.0012316000000000, 0.0006522100000000 ] - [ -0.0012736300000000, -0.0034893900000000, -0.0015340800000000 ] - [ 0.1194444500000000, -0.0714560800000000, -0.1754845800000000 ] - [ 0.0003703200000000, 0.0001284600000000, 0.0002073300000000 ] - [ 0.0011622500000000, 0.0016073600000000, 0.0035322700000000 ] - [ 0.0007265600000000, 0.0007748400000000, 0.0003903600000000 ] - [ 0.0014380200000000, 0.0007223600000000, 0.0100050000000000 ] - [ 0.0001447700000000, 0.0003624900000000, 0.0003676200000000 ] - [ 0.0012400500000000, 0.0001059100000000, 0.0004213000000000 ] - [ 0.0001047500000000, 0.0037395700000000, -0.0005721900000000 ] - [ -0.0002422500000000, -0.0023278100000000, -0.0017623800000000 ] - [ -0.0000602900000000, 0.0004506700000000, 0.0000004800000000 ] - [ -0.0043139000000000, -0.0049292300000000, 0.0037534700000000 ] - [ -0.0000410100000000, 0.0009883300000000, 0.0000489800000000 ] - [ -0.0051996000000000, 0.0014330600000000, -0.0000885700000000 ] - [ -0.0001024300000000, 0.0002795500000000, -0.0003768600000000 ] - [ -0.0004916600000000, -0.0001881000000000, -0.0004952500000000 ] - [ -0.0006498400000000, -0.0001238200000000, -0.0005202100000000 ] - [ -0.0046605500000000, 0.0002912400000000, 0.0003661500000000 ] - [ -0.0003592200000000, -0.0001421800000000, -0.0002298500000000 ] - [ -0.0021391000000000, 0.0007571700000000, -0.0006781300000000 ] - [ -0.0004652800000000, 0.0007372000000000, -0.0001017800000000 ] - [ -0.0005509400000000, -0.0000757700000000, -0.0009206500000000 ] - [ -0.0004164500000000, 0.0001321300000000, -0.0004643100000000 ] - [ 0.0078186500000000, -0.0013295100000000, 0.0099544500000000 ] - [ -0.0003429000000000, -0.0002789400000000, -0.0003826500000000 ] - [ 0.0000067000000000, -0.0012030600000000, -0.0009567800000000 ] - [ -0.0009595400000000, 0.0008557300000000, 0.0007415200000000 ] - [ 0.0002778800000000, 0.0018638700000000, -0.0031764900000000 ] - [ -0.0005688600000000, -0.0002110000000000, -0.0000548600000000 ] - [ 0.0012283000000000, 0.0021945500000000, 0.0008474300000000 ] - [ -0.0003616200000000, -0.0010502300000000, -0.0004599500000000 ] - [ 0.0002889200000000, -0.0003963700000000, 0.0005588200000000 ] - [ -0.0010249500000000, 0.0009317900000000, -0.0007657200000000 ] - [ -0.0005834400000000, -0.0009986500000000, -0.0027579000000000 ] - [ -0.0002518200000000, -0.0000047000000000, 0.0000664900000000 ] - [ 0.0073692700000000, -0.0106942400000000, 0.0106624900000000 ] - [ -0.0002112600000000, -0.0006857800000000, 0.0002715300000000 ] - [ 0.0297624500000000, -0.0081823800000000, -0.0462770600000000 ] - [ -0.0000702600000000, -0.0000453700000000, 0.0010352200000000 ] - [ -0.0008576900000000, 0.0004108200000000, -0.0000867000000000 ] - [ -0.0001557100000000, -0.0002497100000000, 0.0008200100000000 ] - [ -0.1684216800000000, 0.0981204600000000, 0.2032362800000000 ] - [ 0.0000530900000000, -0.0001401000000000, -0.0002654500000000 ] - [ -0.0004217400000000, -0.0004070900000000, -0.0009104500000000 ] - [ -0.0003017800000000, -0.0002046700000000, -0.0001600500000000 ] - [ -0.0039570400000000, 0.0017905500000000, -0.0039180200000000 ] - [ -0.0003277000000000, 0.0000562300000000, -0.0003632000000000 ] - [ -0.0013429300000000, -0.0005760200000000, -0.0004952700000000 ] - [ -0.0009839700000000, -0.0010771800000000, -0.0004936000000000 ] - [ -0.0003667500000000, 0.0000120300000000, 0.0007849500000000 ] - [ -0.0002122200000000, -0.0007377900000000, 0.0019723700000000 ] - [ 0.0011352800000000, -0.0030714800000000, -0.0066036900000000 ] - [ -0.0000753800000000, -0.0001648800000000, 0.0008766500000000 ] - [ -0.0002794100000000, -0.0041583900000000, 0.0026056600000000 ] - [ -0.0000847000000000, -0.0007195600000000, 0.0002144100000000 ] - [ 0.0000242900000000, 0.0004092900000000, 0.0001309000000000 ] - [ -0.0001282300000000, -0.0007133500000000, -0.0015571000000000 ] - [ 0.0045445500000000, 0.0049733400000000, -0.0037543500000000 ] - [ 0.0000495900000000, 0.0001609000000000, 0.0000112700000000 ] - [ -0.0007187900000000, 0.0003807100000000, 0.0005713000000000 ] - [ 0.0003324300000000, -0.0008619700000000, -0.0002716300000000 ] - [ 0.0003178400000000, 0.0016939700000000, 0.0028030200000000 ] - [ 0.0003508100000000, -0.0004490800000000, -0.0005008400000000 ] - [ 0.0002020300000000, 0.0019032300000000, -0.0021671100000000 ] - [ 0.0005809400000000, -0.0001538500000000, -0.0001669800000000 ] - [ 0.0008784700000000, 0.0004033300000000, -0.0021705400000000 ] - [ 0.0000187700000000, 0.0000067100000000, -0.0003470000000000 ] - [ -0.0004579500000000, 0.0001625700000000, -0.0001938200000000 ] - [ 0.0007124800000000, -0.0009610400000000, -0.0003756200000000 ] - [ 0.0077307400000000, -0.0028141900000000, -0.0010182600000000 ] - [ -0.0000663500000000, 0.0000272300000000, 0.0003596700000000 ] - [ 0.0000699000000000, 0.0000322700000000, 0.0002696800000000 ] - [ 0.0002024600000000, -0.0000948400000000, 0.0003345400000000 ] - [ 0.0010105100000000, 0.0019729200000000, 0.0010632600000000 ] - [ -0.0005079900000000, -0.0001472300000000, 0.0001558100000000 ] - [ -0.0001832600000000, 0.0001920900000000, 0.0005207000000000 ] - [ -0.0003236400000000, -0.0004442800000000, 0.0005037000000000 ] - [ 0.0013420600000000, 0.0004720400000000, -0.0013410300000000 ] - [ -0.0000192300000000, 0.0001671500000000, -0.0000335800000000 ] - [ 0.0000974600000000, 0.0000081800000000, 0.0002997800000000 ] - [ -0.0002296800000000, -0.0008250800000000, 0.0002694200000000 ] - [ 0.0001378300000000, -0.0005314400000000, -0.0002632200000000 ] - [ -0.0000215900000000, -0.0005178900000000, -0.0001758300000000 ] - [ -0.0000352400000000, 0.0004928800000000, -0.0001716700000000 ] - [ 0.0008113700000000, -0.0007819700000000, 0.0000084300000000 ] - [ 0.0010679000000000, -0.0000703400000000, -0.0018777200000000 ] - [ 0.0000660100000000, -0.0001424500000000, -0.0008744800000000 ] - [ 0.0001782600000000, 0.0001624700000000, -0.0007475100000000 ] - [ 0.0002208200000000, 0.0000627200000000, -0.0007902500000000 ] - [ 0.0033954000000000, 0.0008857900000000, 0.0014622800000000 ] - [ 0.0003366600000000, 0.0000790900000000, 0.0003652600000000 ] - [ 0.0006759900000000, -0.0002556800000000, 0.0004637700000000 ] - [ 0.0006661400000000, -0.0002319600000000, 0.0004619900000000 ] - [ 0.0021802400000000, 0.0005772200000000, -0.0006783300000000 ] - [ -0.0000092500000000, -0.0000662600000000, 0.0002440900000000 ] - [ 0.0009113100000000, -0.0002781200000000, 0.0000137900000000 ] - [ 0.0002808900000000, -0.0002058400000000, 0.0001328100000000 ] - [ 0.0009879700000000, 0.0001979700000000, -0.0009802000000000 ] - [ 0.0000705900000000, 0.0000087400000000, -0.0009849800000000 ] - [ 0.0004241600000000, -0.0002276600000000, -0.0005829100000000 ] - [ 0.0000972400000000, -0.0001390900000000, -0.0010427000000000 ] - [ 0.0008854900000000, 0.0000468700000000, 0.0002906500000000 ] - [ 0.0002101500000000, 0.0000327800000000, -0.0001212900000000 ] - [ 0.0008090000000000, -0.0008996300000000, -0.0004894100000000 ] - [ 0.0001896500000000, -0.0004526800000000, -0.0002094400000000 ] - [ 0.0004995400000000, 0.0003926600000000, 0.0002304600000000 ] - [ 0.0005509900000000, -0.0010679500000000, 0.0002840200000000 ] - [ 0.0002238900000000, 0.0002323400000000, 0.0000817600000000 ] - [ 0.0001821000000000, 0.0008360200000000, -0.0000389800000000 ] - [ 0.0002543800000000, 0.0008285200000000, 0.0007249300000000 ] - [ 0.0006823800000000, -0.0001820300000000, 0.0001651200000000 ] - [ 0.0005920900000000, -0.0004976400000000, 0.0002418800000000 ] - [ 0.0011682300000000, 0.0008656900000000, -0.0000994700000000 ] - [ 0.0035403700000000, -0.0005616500000000, -0.0000692500000000 ] - [ 0.0002946800000000, -0.0002187000000000, 0.0003766800000000 ] - [ 0.0013958300000000, 0.0001284700000000, 0.0009648300000000 ] - [ 0.0001443000000000, 0.0000280700000000, 0.0003745200000000 ]