# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/17653d16-c3f1-44cc-9493-011d67dd95f1/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 Li2Si2O5 / Pbcn (60) / materials id 3552](https://mdr.nims.go.jp/datasets/d7915676-69f0-4356-b514-15cf11dbebc6) ## 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:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.675111250000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.795646290000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.679168980000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.402085590000000, 0.692902710000000, 0.449234560000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.597914410000000, 0.692902710000000, 0.050765440000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.902085590000000, 0.807097290000000, 0.550765440000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.097914410000000, 0.807097290000000, 0.949234560000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.597914410000000, 0.307097290000000, 0.550765440000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.402085590000000, 0.307097290000000, 0.949234560000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.097914410000000, 0.192902710000000, 0.449234560000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.902085590000000, 0.192902710000000, 0.050765440000000 ] mass: 6.941000 - symbol: O # 9 coordinates: [ 0.851851380000000, 0.645420220000000, 0.861627760000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.148148620000000, 0.354579780000000, 0.138372240000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.851851380000000, 0.354579780000000, 0.361627760000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.648148620000000, 0.145420220000000, 0.861627760000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.351851380000000, 0.145420220000000, 0.638372240000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.241994090000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.148148620000000, 0.645420220000000, 0.638372240000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.351851380000000, 0.854579780000000, 0.138372240000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.758005910000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.741994090000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.577148460000000, 0.710334340000000, 0.567532660000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.258005910000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.077148460000000, 0.789665660000000, 0.432467340000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.922851540000000, 0.789665660000000, 0.067532660000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.577148460000000, 0.289665660000000, 0.067532660000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.422851540000000, 0.710334340000000, 0.932467340000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.922851540000000, 0.210334340000000, 0.567532660000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.077148460000000, 0.210334340000000, 0.932467340000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.422851540000000, 0.289665660000000, 0.432467340000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.648148620000000, 0.854579780000000, 0.361627760000000 ] mass: 15.999400 - symbol: Si # 29 coordinates: [ 0.906606400000000, 0.692964650000000, 0.352148720000000 ] mass: 28.085500 - symbol: Si # 30 coordinates: [ 0.406606400000000, 0.192964650000000, 0.147851280000000 ] mass: 28.085500 - symbol: Si # 31 coordinates: [ 0.593393600000000, 0.192964650000000, 0.352148720000000 ] mass: 28.085500 - symbol: Si # 32 coordinates: [ 0.906606400000000, 0.307035350000000, 0.852148720000000 ] mass: 28.085500 - symbol: Si # 33 coordinates: [ 0.093393600000000, 0.307035350000000, 0.647851280000000 ] mass: 28.085500 - symbol: Si # 34 coordinates: [ 0.593393600000000, 0.807035350000000, 0.852148720000000 ] mass: 28.085500 - symbol: Si # 35 coordinates: [ 0.406606400000000, 0.807035350000000, 0.647851280000000 ] mass: 28.085500 - symbol: Si # 36 coordinates: [ 0.093393600000000, 0.692964650000000, 0.147851280000000 ] mass: 28.085500 reciprocal_lattice: # without 2pi - [ 0.176207999446707, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.208522467990441, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.068123747424835 ] # c*unit_cell: lattice: - [ 5.675111250000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.795646290000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.679168980000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.402085590000000, 0.692902710000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.597914410000000, 0.692902710000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.902085590000000, 0.807097290000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.097914410000000, 0.807097290000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.597914410000000, 0.307097290000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.402085590000000, 0.307097290000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.097914410000000, 0.192902710000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.902085590000000, 0.192902710000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.851851380000000, 0.645420220000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.148148620000000, 0.354579780000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.851851380000000, 0.354579780000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.648148620000000, 0.145420220000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.351851380000000, 0.145420220000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.000000000000000, 0.241994090000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.148148620000000, 0.645420220000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.351851380000000, 0.854579780000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.758005910000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.741994090000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.577148460000000, 0.710334340000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.500000000000000, 0.258005910000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.077148460000000, 0.789665660000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.922851540000000, 0.789665660000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.577148460000000, 0.289665660000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.422851540000000, 0.710334340000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.922851540000000, 0.210334340000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.077148460000000, 0.210334340000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.422851540000000, 0.289665660000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.648148620000000, 0.854579780000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 28 - symbol: Si # 29 coordinates: [ 0.906606400000000, 0.692964650000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 29 - symbol: Si # 30 coordinates: [ 0.406606400000000, 0.192964650000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 30 - symbol: Si # 31 coordinates: [ 0.593393600000000, 0.192964650000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 31 - symbol: Si # 32 coordinates: [ 0.906606400000000, 0.307035350000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 32 - symbol: Si # 33 coordinates: [ 0.093393600000000, 0.307035350000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.593393600000000, 0.807035350000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 34 - symbol: Si # 35 coordinates: [ 0.406606400000000, 0.807035350000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.093393600000000, 0.692964650000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 36supercell: lattice: - [ 11.350222499999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.591292579999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.679168980000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.201042795000000, 0.346451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.701042795000000, 0.346451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.201042795000000, 0.846451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.701042795000000, 0.846451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.298957205000000, 0.346451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.798957205000000, 0.346451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.298957205000000, 0.846451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.798957205000000, 0.846451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 9 coordinates: [ 0.451042795000000, 0.403548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.951042795000000, 0.403548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.451042795000000, 0.903548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.951042795000000, 0.903548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.048957205000000, 0.403548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.548957205000000, 0.403548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.048957205000000, 0.903548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.548957205000000, 0.903548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.298957205000000, 0.153548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.798957205000000, 0.153548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.298957205000000, 0.653548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.798957205000000, 0.653548645000000, 0.550765440000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.201042795000000, 0.153548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.701042795000000, 0.153548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 23 coordinates: [ 0.201042795000000, 0.653548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 24 coordinates: [ 0.701042795000000, 0.653548645000000, 0.949234560000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 25 coordinates: [ 0.048957205000000, 0.096451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.548957205000000, 0.096451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.048957205000000, 0.596451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.548957205000000, 0.596451355000000, 0.449234560000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.451042795000000, 0.096451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.951042795000000, 0.096451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 31 coordinates: [ 0.451042795000000, 0.596451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 32 coordinates: [ 0.951042795000000, 0.596451355000000, 0.050765440000000 ] mass: 6.941000 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.425925690000000, 0.322710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.925925690000000, 0.322710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.425925690000000, 0.822710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.925925690000000, 0.822710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.074074310000000, 0.177289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.574074310000000, 0.177289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.074074310000000, 0.677289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.574074310000000, 0.677289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.425925690000000, 0.177289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.925925690000000, 0.177289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.425925690000000, 0.677289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.925925690000000, 0.677289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.324074310000000, 0.072710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.824074310000000, 0.072710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.324074310000000, 0.572710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 48 coordinates: [ 0.824074310000000, 0.572710110000000, 0.861627760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.175925690000000, 0.072710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.675925690000000, 0.072710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.175925690000000, 0.572710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.675925690000000, 0.572710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.120997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.120997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.620997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.620997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.074074310000000, 0.322710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.574074310000000, 0.322710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.074074310000000, 0.822710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.574074310000000, 0.822710110000000, 0.638372240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.175925690000000, 0.427289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.675925690000000, 0.427289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.175925690000000, 0.927289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.675925690000000, 0.927289890000000, 0.138372240000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.000000000000000, 0.379002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.379002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.879002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.879002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.250000000000000, 0.370997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.750000000000000, 0.370997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.250000000000000, 0.870997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.870997045000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.288574230000000, 0.355167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.788574230000000, 0.355167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.288574230000000, 0.855167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.788574230000000, 0.855167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.250000000000000, 0.129002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.750000000000000, 0.129002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.250000000000000, 0.629002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.750000000000000, 0.629002955000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.038574230000000, 0.394832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.538574230000000, 0.394832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.038574230000000, 0.894832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.538574230000000, 0.894832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.461425770000000, 0.394832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.961425770000000, 0.394832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.461425770000000, 0.894832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.961425770000000, 0.894832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.288574230000000, 0.144832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.788574230000000, 0.144832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.288574230000000, 0.644832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.788574230000000, 0.644832830000000, 0.067532660000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.211425770000000, 0.355167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.711425770000000, 0.355167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.211425770000000, 0.855167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.711425770000000, 0.855167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.461425770000000, 0.105167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.961425770000000, 0.105167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.461425770000000, 0.605167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.961425770000000, 0.605167170000000, 0.567532660000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.038574230000000, 0.105167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.538574230000000, 0.105167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.038574230000000, 0.605167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.538574230000000, 0.605167170000000, 0.932467340000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.211425770000000, 0.144832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.711425770000000, 0.144832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.211425770000000, 0.644832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.711425770000000, 0.644832830000000, 0.432467340000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.324074310000000, 0.427289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.824074310000000, 0.427289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.324074310000000, 0.927289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.824074310000000, 0.927289890000000, 0.361627760000000 ] mass: 15.999400 reduced_to: 109 - symbol: Si # 113 coordinates: [ 0.453303200000000, 0.346482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 114 coordinates: [ 0.953303200000000, 0.346482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 115 coordinates: [ 0.453303200000000, 0.846482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 116 coordinates: [ 0.953303200000000, 0.846482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 113 - symbol: Si # 117 coordinates: [ 0.203303200000000, 0.096482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 118 coordinates: [ 0.703303200000000, 0.096482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 119 coordinates: [ 0.203303200000000, 0.596482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 120 coordinates: [ 0.703303200000000, 0.596482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 117 - symbol: Si # 121 coordinates: [ 0.296696800000000, 0.096482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 122 coordinates: [ 0.796696800000000, 0.096482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 123 coordinates: [ 0.296696800000000, 0.596482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 124 coordinates: [ 0.796696800000000, 0.596482325000000, 0.352148720000000 ] mass: 28.085500 reduced_to: 121 - symbol: Si # 125 coordinates: [ 0.453303200000000, 0.153517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 125 - symbol: Si # 126 coordinates: [ 0.953303200000000, 0.153517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 125 - symbol: Si # 127 coordinates: [ 0.453303200000000, 0.653517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 125 - symbol: Si # 128 coordinates: [ 0.953303200000000, 0.653517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 125 - symbol: Si # 129 coordinates: [ 0.046696800000000, 0.153517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 129 - symbol: Si # 130 coordinates: [ 0.546696800000000, 0.153517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 129 - symbol: Si # 131 coordinates: [ 0.046696800000000, 0.653517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 129 - symbol: Si # 132 coordinates: [ 0.546696800000000, 0.653517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 129 - symbol: Si # 133 coordinates: [ 0.296696800000000, 0.403517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 133 - symbol: Si # 134 coordinates: [ 0.796696800000000, 0.403517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 133 - symbol: Si # 135 coordinates: [ 0.296696800000000, 0.903517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 133 - symbol: Si # 136 coordinates: [ 0.796696800000000, 0.903517675000000, 0.852148720000000 ] mass: 28.085500 reduced_to: 133 - symbol: Si # 137 coordinates: [ 0.203303200000000, 0.403517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 137 - symbol: Si # 138 coordinates: [ 0.703303200000000, 0.403517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 137 - symbol: Si # 139 coordinates: [ 0.203303200000000, 0.903517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 137 - symbol: Si # 140 coordinates: [ 0.703303200000000, 0.903517675000000, 0.647851280000000 ] mass: 28.085500 reduced_to: 137 - symbol: Si # 141 coordinates: [ 0.046696800000000, 0.346482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 141 - symbol: Si # 142 coordinates: [ 0.546696800000000, 0.346482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 141 - symbol: Si # 143 coordinates: [ 0.046696800000000, 0.846482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 141 - symbol: Si # 144 coordinates: [ 0.546696800000000, 0.846482325000000, 0.147851280000000 ] mass: 28.085500 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0528349700000000, 0.0065208600000000, -0.0032320000000000 ] - [ 0.0015589400000000, -0.0000095300000000, -0.0001850600000000 ] - [ -0.0004380900000000, 0.0000263100000000, 0.0001008600000000 ] - [ 0.0004887100000000, -0.0000441000000000, -0.0001345000000000 ] - [ -0.0001863600000000, -0.0000047300000000, 0.0000111000000000 ] - [ 0.0002528700000000, -0.0000014200000000, 0.0001188800000000 ] - [ -0.0000635000000000, 0.0000391400000000, 0.0000041900000000 ] - [ 0.0000805900000000, -0.0000071100000000, 0.0000645700000000 ] - [ 0.0026474800000000, 0.0005650900000000, 0.0019696800000000 ] - [ 0.0026284000000000, -0.0005942000000000, -0.0030596900000000 ] - [ -0.0000092400000000, -0.0001180500000000, 0.0001391000000000 ] - [ -0.0000115800000000, 0.0001882400000000, -0.0000423700000000 ] - [ -0.0001910400000000, -0.0000108500000000, 0.0000961700000000 ] - [ 0.0001479000000000, 0.0000006700000000, -0.0000701100000000 ] - [ -0.0000767700000000, 0.0000259800000000, -0.0000256700000000 ] - [ 0.0000919400000000, -0.0000148900000000, -0.0000312400000000 ] - [ -0.0004873900000000, -0.0039917900000000, 0.0026347500000000 ] - [ 0.0007055200000000, 0.0002314800000000, -0.0002644300000000 ] - [ -0.0004173400000000, 0.0011971800000000, 0.0005084000000000 ] - [ 0.0005462600000000, -0.0001997400000000, -0.0001710400000000 ] - [ -0.0001597100000000, -0.0000404500000000, 0.0000063500000000 ] - [ 0.0001385700000000, 0.0000013900000000, -0.0000187100000000 ] - [ -0.0001561500000000, 0.0000235500000000, -0.0000301400000000 ] - [ 0.0001223300000000, 0.0000013000000000, -0.0000137800000000 ] - [ 0.0000858900000000, 0.0042259000000000, -0.0000182200000000 ] - [ 0.0009389900000000, -0.0004463300000000, 0.0001730800000000 ] - [ 0.0000778800000000, -0.0045594700000000, -0.0003802100000000 ] - [ 0.0009282300000000, 0.0006371300000000, 0.0001141000000000 ] - [ -0.0000181200000000, -0.0000379400000000, -0.0000242400000000 ] - [ 0.0000300600000000, 0.0000873100000000, 0.0001442400000000 ] - [ 0.0000334800000000, 0.0000832700000000, -0.0000394700000000 ] - [ -0.0000183900000000, -0.0001514100000000, 0.0001371900000000 ] - [ -0.0000188700000000, 0.0000639500000000, -0.0000838500000000 ] - [ -0.0000748200000000, 0.0000714500000000, 0.0001151100000000 ] - [ 0.0001064500000000, -0.0000598400000000, 0.0000242700000000 ] - [ -0.0000443200000000, 0.0000423200000000, 0.0001055900000000 ] - [ 0.0008263300000000, -0.0007502400000000, -0.0004629300000000 ] - [ -0.0006984200000000, 0.0004786100000000, 0.0001512500000000 ] - [ 0.0005492700000000, -0.0000257200000000, -0.0000195500000000 ] - [ -0.0004856200000000, 0.0000428900000000, -0.0000411900000000 ] - [ -0.0002889600000000, 0.0026641600000000, 0.0008612100000000 ] - [ -0.0033287500000000, -0.0037216300000000, -0.0013784000000000 ] - [ -0.0005521000000000, -0.0025172900000000, 0.0000176500000000 ] - [ -0.0004581800000000, 0.0015101900000000, -0.0002545100000000 ] - [ 0.0000801600000000, 0.0001330200000000, -0.0000018800000000 ] - [ -0.0001952500000000, -0.0000657700000000, 0.0001280100000000 ] - [ -0.0000698500000000, -0.0001387600000000, -0.0000834600000000 ] - [ -0.0001315400000000, 0.0000104200000000, 0.0001002400000000 ] - [ 0.0012538600000000, -0.0002228700000000, -0.0001294200000000 ] - [ -0.0007617000000000, 0.0002216200000000, -0.0000374500000000 ] - [ 0.0023305500000000, -0.0013305000000000, -0.0002720000000000 ] - [ -0.0008204300000000, 0.0003152900000000, -0.0000151100000000 ] - [ -0.0000239100000000, -0.0001648900000000, 0.0007586100000000 ] - [ -0.0001243400000000, 0.0000777700000000, -0.0004153200000000 ] - [ 0.0002104100000000, 0.0000578800000000, 0.0004925400000000 ] - [ -0.0001457600000000, -0.0000609500000000, -0.0003606800000000 ] - [ 0.0027966600000000, 0.0000666900000000, 0.0019394800000000 ] - [ -0.0011950900000000, -0.0001637700000000, -0.0003349100000000 ] - [ 0.0007279000000000, 0.0002511700000000, 0.0001544100000000 ] - [ -0.0006499800000000, -0.0002694300000000, -0.0002163300000000 ] - [ 0.0011683200000000, 0.0005547000000000, -0.0002922400000000 ] - [ -0.0007591900000000, -0.0003481800000000, 0.0001032500000000 ] - [ 0.0004733800000000, 0.0000723700000000, -0.0000051500000000 ] - [ -0.0003760600000000, -0.0001848800000000, -0.0000996700000000 ] - [ 0.0001192800000000, -0.0003178400000000, -0.0055088900000000 ] - [ -0.0020066200000000, 0.0003089600000000, 0.0027854200000000 ] - [ 0.0004088800000000, 0.0000180500000000, -0.0006448100000000 ] - [ -0.0003983200000000, -0.0001149200000000, 0.0006590000000000 ] - [ 0.0008031700000000, -0.0001328000000000, -0.0020745700000000 ] - [ -0.0003223200000000, 0.0000477400000000, 0.0001200500000000 ] - [ 0.0002359600000000, -0.0000119100000000, 0.0000734900000000 ] - [ -0.0002224100000000, 0.0000311700000000, -0.0000243600000000 ] - [ 0.0088185200000000, -0.0004098400000000, 0.0013611900000000 ] - [ -0.0015744100000000, 0.0001194500000000, 0.0008457100000000 ] - [ 0.0004576900000000, -0.0000666300000000, -0.0003075600000000 ] - [ -0.0006203700000000, 0.0001151100000000, 0.0002425200000000 ] - [ 0.0011167400000000, 0.0001531600000000, 0.0011926900000000 ] - [ -0.0010817000000000, -0.0002044800000000, -0.0010551400000000 ] - [ 0.0016020400000000, -0.0011981900000000, 0.0020198800000000 ] - [ -0.0007964300000000, 0.0003216500000000, -0.0009935800000000 ] - [ 0.0201375400000000, -0.0038275900000000, 0.0018810500000000 ] - [ -0.0034022000000000, -0.0001433100000000, -0.0001908000000000 ] - [ 0.0007404900000000, -0.0001249000000000, 0.0000264200000000 ] - [ -0.0006917800000000, -0.0001130300000000, -0.0001104300000000 ] - [ -0.0000864200000000, -0.0000579600000000, 0.0004245500000000 ] - [ 0.0001482500000000, 0.0000347600000000, -0.0009423700000000 ] - [ -0.0000473800000000, -0.0000438400000000, 0.0000931900000000 ] - [ 0.0001139100000000, -0.0001013900000000, -0.0001458800000000 ] - [ 0.0003085900000000, -0.0000217600000000, 0.0000667700000000 ] - [ -0.0003532100000000, -0.0001079500000000, -0.0001574100000000 ] - [ 0.0002136500000000, -0.0000066600000000, 0.0002033600000000 ] - [ -0.0002812900000000, -0.0000542700000000, -0.0001553900000000 ] - [ 0.0002573800000000, 0.0001046500000000, -0.0003297500000000 ] - [ -0.0001721100000000, 0.0000468100000000, 0.0000616800000000 ] - [ 0.0001966200000000, 0.0000480400000000, -0.0000013600000000 ] - [ -0.0001123000000000, 0.0000351100000000, 0.0000352900000000 ] - [ -0.0008878500000000, 0.0007269000000000, -0.0007773900000000 ] - [ -0.0001335100000000, -0.0010366100000000, 0.0012898800000000 ] - [ -0.0008723000000000, -0.0008159200000000, -0.0008082600000000 ] - [ 0.0000908100000000, 0.0014804600000000, 0.0016800900000000 ] - [ 0.0000594200000000, 0.0000221500000000, 0.0000827900000000 ] - [ -0.0001421900000000, 0.0001057800000000, -0.0000583100000000 ] - [ 0.0000873500000000, 0.0000859500000000, 0.0000445200000000 ] - [ -0.0001701900000000, 0.0000191400000000, -0.0000425500000000 ] - [ 0.0078497900000000, -0.0001614200000000, 0.0000599300000000 ] - [ -0.0016371800000000, -0.0001428200000000, 0.0003700500000000 ] - [ 0.0038052600000000, -0.0011784100000000, -0.0005730700000000 ] - [ -0.0012547000000000, 0.0002844400000000, 0.0003740500000000 ] - [ 0.0049046200000000, -0.0018209900000000, -0.0008351500000000 ] - [ -0.0044475700000000, 0.0016231700000000, -0.0011229100000000 ] - [ 0.0004388700000000, -0.0001402500000000, -0.0001858600000000 ] - [ -0.0004957000000000, -0.0003079500000000, 0.0001197300000000 ] - [ 0.0106194000000000, -0.0021125700000000, -0.0051473100000000 ] - [ 0.0115250400000000, 0.0026900600000000, 0.0100737900000000 ] - [ 0.0005286200000000, 0.0008903700000000, -0.0003665300000000 ] - [ -0.0007414900000000, -0.0007390200000000, 0.0003203400000000 ] - [ -0.0013375000000000, 0.0001883200000000, -0.0007095400000000 ] - [ 0.0010289500000000, 0.0000594100000000, 0.0007320700000000 ] - [ -0.0014653200000000, -0.0006265300000000, -0.0012631800000000 ] - [ 0.0009619500000000, 0.0002962100000000, 0.0007333400000000 ] - [ -0.0025151000000000, -0.0051393100000000, -0.0022649900000000 ] - [ 0.0034444200000000, 0.0014738100000000, 0.0002770400000000 ] - [ -0.0041072300000000, 0.0103563000000000, -0.0020450200000000 ] - [ 0.0025743800000000, -0.0025119500000000, 0.0004707200000000 ] - [ -0.0000561500000000, -0.0001862800000000, 0.0003352300000000 ] - [ 0.0001558600000000, -0.0000392000000000, -0.0004952900000000 ] - [ 0.0000061800000000, 0.0001318600000000, 0.0002405100000000 ] - [ 0.0000718500000000, -0.0000737200000000, -0.0002996800000000 ] - [ -0.0012204300000000, 0.0015230100000000, -0.0021744900000000 ] - [ 0.0014551500000000, -0.0001478400000000, 0.0009155800000000 ] - [ -0.0018613400000000, -0.0005156500000000, -0.0014290900000000 ] - [ 0.0012595500000000, 0.0002913800000000, 0.0008361200000000 ] - [ 0.0001961600000000, 0.0001037800000000, 0.0008183400000000 ] - [ 0.0003019100000000, -0.0000475100000000, -0.0000986400000000 ] - [ -0.0002123700000000, -0.0000938900000000, -0.0000267600000000 ] - [ 0.0002646800000000, 0.0000567600000000, -0.0000450800000000 ] - [ -0.0083795500000000, 0.0007607800000000, 0.0016330400000000 ] - [ 0.0017467700000000, -0.0001809000000000, -0.0005220300000000 ] - [ -0.0010265400000000, 0.0001103900000000, 0.0002261300000000 ] - [ 0.0009703000000000, -0.0001367300000000, -0.0002077900000000 ] - [ -0.0020504900000000, 0.0004710700000000, 0.0033986500000000 ] - [ 0.0013425200000000, -0.0002832400000000, -0.0019441700000000 ] - [ -0.0005876300000000, 0.0001441000000000, 0.0005651900000000 ] - [ 0.0006475200000000, -0.0000148400000000, -0.0005333900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0544166900000000, -0.0072040200000000, 0.0035820500000000 ] - [ -0.0015677500000000, 0.0000065700000000, 0.0001163000000000 ] - [ 0.0004272500000000, -0.0000257600000000, -0.0001702300000000 ] - [ -0.0005011800000000, 0.0000418700000000, 0.0000590100000000 ] - [ 0.0001943200000000, 0.0000058300000000, 0.0000520300000000 ] - [ -0.0002496000000000, 0.0000088100000000, -0.0000572400000000 ] - [ 0.0000785700000000, -0.0000387500000000, 0.0000648900000000 ] - [ -0.0000747100000000, 0.0000129300000000, -0.0000022300000000 ] - [ -0.0026417600000000, -0.0005547100000000, -0.0018755300000000 ] - [ -0.0026637500000000, 0.0006032000000000, 0.0031475300000000 ] - [ -0.0000079700000000, 0.0001225500000000, -0.0000649500000000 ] - [ -0.0000061000000000, -0.0001903200000000, 0.0001088000000000 ] - [ 0.0001992600000000, 0.0000064500000000, -0.0001640800000000 ] - [ -0.0001454300000000, -0.0000060200000000, 0.0000049500000000 ] - [ 0.0000916500000000, -0.0000265200000000, -0.0000429700000000 ] - [ -0.0000857900000000, 0.0000085900000000, -0.0000321500000000 ] - [ 0.0004602400000000, 0.0039807800000000, -0.0025615100000000 ] - [ -0.0006994400000000, -0.0002333400000000, 0.0003332200000000 ] - [ 0.0004175800000000, -0.0012045500000000, -0.0004448200000000 ] - [ -0.0005349100000000, 0.0002030200000000, 0.0002447400000000 ] - [ 0.0001487700000000, 0.0000329000000000, -0.0000713700000000 ] - [ -0.0001485100000000, -0.0000016600000000, -0.0000451100000000 ] - [ 0.0001402000000000, -0.0000217500000000, -0.0000426200000000 ] - [ -0.0001351600000000, -0.0000042100000000, -0.0000489800000000 ] - [ -0.0000632700000000, -0.0042635000000000, -0.0000473600000000 ] - [ -0.0009206200000000, 0.0004401800000000, -0.0002434700000000 ] - [ -0.0000628500000000, 0.0045793700000000, 0.0003133200000000 ] - [ -0.0009234500000000, -0.0006291800000000, -0.0001789300000000 ] - [ 0.0000056100000000, 0.0000402600000000, 0.0000898000000000 ] - [ -0.0000435600000000, -0.0000856400000000, -0.0000753700000000 ] - [ -0.0000421800000000, -0.0000805300000000, 0.0001032100000000 ] - [ 0.0000059100000000, 0.0001547200000000, -0.0000703200000000 ] - [ 0.0000902800000000, -0.0000395400000000, 0.0002087100000000 ] - [ 0.0001490300000000, -0.0000441400000000, 0.0000098200000000 ] - [ -0.0000336500000000, 0.0000854700000000, 0.0001007200000000 ] - [ 0.0001135800000000, -0.0000176500000000, 0.0000181900000000 ] - [ -0.0009079600000000, 0.0007259700000000, 0.0003377900000000 ] - [ 0.0006194000000000, -0.0005068900000000, -0.0002770800000000 ] - [ -0.0006281500000000, -0.0000009400000000, -0.0001061700000000 ] - [ 0.0004083400000000, -0.0000693300000000, -0.0000845300000000 ] - [ 0.0003677400000000, -0.0026660500000000, -0.0007238400000000 ] - [ 0.0034225800000000, 0.0037104900000000, 0.0015134000000000 ] - [ 0.0006310200000000, 0.0024911800000000, 0.0001076800000000 ] - [ 0.0005313100000000, -0.0015413900000000, 0.0003807400000000 ] - [ -0.0001546600000000, -0.0001086100000000, 0.0001264500000000 ] - [ 0.0001158600000000, 0.0000919800000000, -0.0000026700000000 ] - [ -0.0000072800000000, 0.0001681800000000, 0.0002102200000000 ] - [ 0.0000545000000000, 0.0000167300000000, 0.0000246600000000 ] - [ -0.0011899000000000, 0.0002480800000000, 0.0000095400000000 ] - [ 0.0008333900000000, -0.0001947100000000, -0.0000878900000000 ] - [ -0.0022696400000000, 0.0013612600000000, 0.0001531800000000 ] - [ 0.0008926800000000, -0.0002918300000000, -0.0001098600000000 ] - [ 0.0000201400000000, 0.0002079600000000, -0.0007614900000000 ] - [ 0.0001235900000000, -0.0000346500000000, 0.0004130300000000 ] - [ -0.0002160100000000, -0.0000142100000000, -0.0004928000000000 ] - [ 0.0001445800000000, 0.0001050600000000, 0.0003601200000000 ] - [ -0.0028901200000000, -0.0000407500000000, -0.0020779800000000 ] - [ 0.0011203900000000, 0.0001901400000000, 0.0002057300000000 ] - [ -0.0008081500000000, -0.0002272500000000, -0.0002798300000000 ] - [ 0.0005708900000000, 0.0002970400000000, 0.0000889000000000 ] - [ -0.0010982900000000, -0.0005827600000000, 0.0001669700000000 ] - [ 0.0008306600000000, 0.0003230000000000, -0.0002269600000000 ] - [ -0.0004049600000000, -0.0000992400000000, -0.0001212200000000 ] - [ 0.0004486700000000, 0.0001586700000000, -0.0000239800000000 ] - [ -0.0001218800000000, 0.0002759300000000, 0.0055379800000000 ] - [ 0.0020105800000000, -0.0003578000000000, -0.0027843600000000 ] - [ -0.0004136100000000, -0.0000614700000000, 0.0006458800000000 ] - [ 0.0003986600000000, 0.0000726100000000, -0.0006614800000000 ] - [ -0.0008106300000000, 0.0001751000000000, 0.0020876900000000 ] - [ 0.0003196500000000, -0.0000047300000000, -0.0001246200000000 ] - [ -0.0002385700000000, 0.0000545400000000, -0.0000713500000000 ] - [ 0.0002199200000000, 0.0000116900000000, 0.0000226600000000 ] - [ -0.0087765800000000, 0.0005376400000000, -0.0011663000000000 ] - [ 0.0015058200000000, -0.0000135800000000, -0.0008945600000000 ] - [ -0.0005268000000000, 0.0001753900000000, 0.0002635300000000 ] - [ 0.0005432900000000, -0.0000064800000000, -0.0002849800000000 ] - [ -0.0011146100000000, -0.0001982000000000, -0.0012117000000000 ] - [ 0.0010832400000000, 0.0001630200000000, 0.0010624600000000 ] - [ -0.0016044500000000, 0.0011519000000000, -0.0020254100000000 ] - [ 0.0007957300000000, -0.0003639600000000, 0.0009947100000000 ] - [ -0.0217846300000000, 0.0041131100000000, -0.0021201600000000 ] - [ 0.0033165600000000, 0.0000306000000000, 0.0002468100000000 ] - [ -0.0008192300000000, 0.0000197800000000, 0.0000167700000000 ] - [ 0.0006196500000000, 0.0000081300000000, 0.0001582500000000 ] - [ 0.0001527000000000, -0.0000476100000000, -0.0004663000000000 ] - [ -0.0000751400000000, -0.0001393800000000, 0.0009016700000000 ] - [ 0.0001192200000000, -0.0000593300000000, -0.0001365500000000 ] - [ -0.0000449100000000, -0.0000054000000000, 0.0001049100000000 ] - [ -0.0003784800000000, -0.0000824000000000, -0.0001111200000000 ] - [ 0.0002784500000000, -0.0000005500000000, 0.0001124000000000 ] - [ -0.0002883100000000, -0.0000994000000000, -0.0002496700000000 ] - [ 0.0002091200000000, -0.0000526400000000, 0.0001115800000000 ] - [ -0.0001899800000000, 0.0000045700000000, 0.0003778300000000 ] - [ 0.0002425400000000, 0.0000551700000000, -0.0000206000000000 ] - [ -0.0001239700000000, 0.0000564700000000, 0.0000440000000000 ] - [ 0.0001820300000000, 0.0000703700000000, 0.0000069800000000 ] - [ 0.0009610400000000, -0.0006212200000000, 0.0007299000000000 ] - [ 0.0002037000000000, 0.0011524400000000, -0.0013442500000000 ] - [ 0.0009476800000000, 0.0009173000000000, 0.0007603300000000 ] - [ -0.0000195800000000, -0.0013835800000000, -0.0017300300000000 ] - [ -0.0001392200000000, 0.0000855300000000, -0.0000419500000000 ] - [ 0.0000719300000000, -0.0000002000000000, 0.0001059700000000 ] - [ -0.0001599000000000, 0.0000181600000000, 0.0000017300000000 ] - [ 0.0000957800000000, 0.0000892500000000, 0.0000850500000000 ] - [ -0.0078033400000000, 0.0001363500000000, -0.0000079400000000 ] - [ 0.0017119600000000, 0.0000388000000000, -0.0003293500000000 ] - [ -0.0037334700000000, 0.0010925100000000, 0.0006080700000000 ] - [ 0.0013245700000000, -0.0003935000000000, -0.0003326700000000 ] - [ -0.0046681700000000, 0.0019448100000000, 0.0006999300000000 ] - [ 0.0043543700000000, -0.0016502300000000, 0.0012372900000000 ] - [ -0.0004997300000000, 0.0001026500000000, 0.0003039600000000 ] - [ 0.0004174400000000, 0.0002855000000000, 0.0000048500000000 ] - [ -0.0106374300000000, 0.0021897600000000, 0.0050151100000000 ] - [ -0.0116889200000000, -0.0026147500000000, -0.0101579000000000 ] - [ -0.0006058800000000, -0.0008452200000000, 0.0003177700000000 ] - [ 0.0006839700000000, 0.0007850300000000, -0.0003674200000000 ] - [ 0.0012808400000000, -0.0001426600000000, 0.0007678900000000 ] - [ -0.0010967500000000, -0.0000151600000000, -0.0006893100000000 ] - [ 0.0014036600000000, 0.0006740100000000, 0.0013157200000000 ] - [ -0.0010303100000000, -0.0002511600000000, -0.0006885000000000 ] - [ 0.0024990100000000, 0.0051832500000000, 0.0022353800000000 ] - [ -0.0033974900000000, -0.0014353400000000, -0.0003287700000000 ] - [ 0.0041372400000000, -0.0103206700000000, 0.0020115400000000 ] - [ -0.0025163700000000, 0.0025580100000000, -0.0005188100000000 ] - [ -0.0000148700000000, 0.0001425900000000, -0.0003855900000000 ] - [ -0.0002182300000000, -0.0000090000000000, 0.0004502400000000 ] - [ -0.0000708500000000, -0.0001778900000000, -0.0002878800000000 ] - [ -0.0001392200000000, 0.0000305500000000, 0.0002501200000000 ] - [ 0.0012977300000000, -0.0015775700000000, 0.0022309400000000 ] - [ -0.0013951500000000, 0.0001008700000000, -0.0008631200000000 ] - [ 0.0019378300000000, 0.0004690700000000, 0.0014789800000000 ] - [ -0.0011994500000000, -0.0003427400000000, -0.0007858300000000 ] - [ -0.0001362200000000, -0.0001543200000000, -0.0008742800000000 ] - [ -0.0002425100000000, 0.0000011600000000, 0.0000526000000000 ] - [ 0.0002738800000000, 0.0000492800000000, -0.0000216300000000 ] - [ -0.0002023300000000, -0.0001061400000000, -0.0000019900000000 ] - [ 0.0083613400000000, -0.0008155100000000, -0.0016536800000000 ] - [ -0.0018154000000000, 0.0001396200000000, 0.0005757400000000 ] - [ 0.0009617000000000, -0.0001533900000000, -0.0001799600000000 ] - [ -0.0010334400000000, 0.0000904300000000, 0.0002556500000000 ] - [ 0.0021227800000000, -0.0004274200000000, -0.0033628800000000 ] - [ -0.0012820400000000, 0.0003318000000000, 0.0019905700000000 ] - [ 0.0006524900000000, -0.0000951100000000, -0.0005207800000000 ] - [ -0.0005879300000000, 0.0000621200000000, 0.0005820600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0067359000000000, -0.0431806000000000, 0.0008519100000000 ] - [ -0.0000115100000000, -0.0002210000000000, 0.0000090300000000 ] - [ 0.0000203300000000, 0.0033945900000000, 0.0000335000000000 ] - [ -0.0000458300000000, 0.0001855900000000, -0.0000300200000000 ] - [ 0.0000094200000000, -0.0002500400000000, 0.0000181200000000 ] - [ 0.0000089600000000, -0.0000500500000000, 0.0000045300000000 ] - [ -0.0000300000000000, 0.0002305600000000, 0.0000645200000000 ] - [ 0.0000138100000000, 0.0000574900000000, 0.0000325800000000 ] - [ 0.0005876500000000, -0.0007088500000000, 0.0005285400000000 ] - [ -0.0005578300000000, -0.0007087400000000, 0.0006513100000000 ] - [ -0.0001913300000000, 0.0005201700000000, -0.0001246500000000 ] - [ 0.0001111500000000, 0.0005187500000000, -0.0000654000000000 ] - [ -0.0000044300000000, -0.0000740300000000, -0.0000549300000000 ] - [ 0.0000060300000000, -0.0000386500000000, -0.0000531300000000 ] - [ 0.0000344900000000, 0.0000714700000000, -0.0000109600000000 ] - [ -0.0000076300000000, 0.0000336300000000, -0.0000224800000000 ] - [ -0.0039585600000000, 0.0028101700000000, -0.0059162300000000 ] - [ 0.0002382700000000, -0.0001849600000000, 0.0000799400000000 ] - [ 0.0012135800000000, 0.0016737500000000, 0.0020104100000000 ] - [ -0.0001950900000000, 0.0001446400000000, 0.0000570700000000 ] - [ 0.0000334200000000, -0.0000515900000000, 0.0000705900000000 ] - [ -0.0000052100000000, -0.0000260100000000, -0.0000387200000000 ] - [ -0.0000288100000000, 0.0000504200000000, -0.0000995400000000 ] - [ -0.0000070100000000, 0.0000225200000000, -0.0000406500000000 ] - [ 0.0045594900000000, 0.0029297700000000, -0.0001595900000000 ] - [ -0.0006224100000000, 0.0001091300000000, -0.0002286900000000 ] - [ -0.0042721100000000, 0.0029513400000000, -0.0000565400000000 ] - [ 0.0004478900000000, 0.0001073400000000, 0.0000923800000000 ] - [ -0.0001568100000000, 0.0000033400000000, 0.0001097900000000 ] - [ 0.0000755600000000, 0.0000122300000000, 0.0000793000000000 ] - [ 0.0000841500000000, 0.0000131200000000, -0.0000406200000000 ] - [ -0.0000433500000000, 0.0000037400000000, -0.0000111100000000 ] - [ -0.0000260600000000, 0.0001483300000000, 0.0000573700000000 ] - [ -0.0000481900000000, 0.0001849100000000, 0.0001134300000000 ] - [ 0.0001139000000000, -0.0001240200000000, 0.0000665600000000 ] - [ 0.0000959600000000, -0.0001516700000000, 0.0000182100000000 ] - [ -0.0006190200000000, 0.0005452500000000, -0.0004330600000000 ] - [ -0.0000325500000000, 0.0002409200000000, -0.0000400400000000 ] - [ 0.0003227700000000, -0.0004491600000000, 0.0002223100000000 ] - [ -0.0000064400000000, -0.0002133700000000, -0.0000256100000000 ] - [ 0.0039311700000000, 0.0027043200000000, -0.0014952700000000 ] - [ -0.0003311500000000, 0.0014608200000000, 0.0002450700000000 ] - [ -0.0020741800000000, -0.0022566100000000, 0.0006967200000000 ] - [ 0.0003329400000000, -0.0007694100000000, 0.0001613100000000 ] - [ -0.0000024800000000, -0.0000034500000000, 0.0000720500000000 ] - [ -0.0001194400000000, -0.0000478400000000, 0.0001191700000000 ] - [ -0.0000660000000000, 0.0000249700000000, 0.0000278300000000 ] - [ 0.0000267600000000, 0.0000689000000000, 0.0000087300000000 ] - [ -0.0001900100000000, -0.0008408300000000, 0.0011852600000000 ] - [ 0.0002483900000000, -0.0001020600000000, 0.0000617600000000 ] - [ 0.0002160100000000, 0.0001763400000000, -0.0014199200000000 ] - [ -0.0000878200000000, 0.0000952800000000, -0.0001872000000000 ] - [ -0.0002028200000000, 0.0001654700000000, 0.0005897200000000 ] - [ 0.0000212400000000, 0.0001137200000000, 0.0003032100000000 ] - [ 0.0002492000000000, -0.0001114300000000, -0.0005718200000000 ] - [ -0.0000126000000000, -0.0000455900000000, -0.0002624200000000 ] - [ 0.0003386800000000, 0.0016458800000000, 0.0003310700000000 ] - [ 0.0001305000000000, 0.0004502200000000, -0.0000637800000000 ] - [ -0.0003118100000000, -0.0010501700000000, -0.0001362400000000 ] - [ -0.0001820500000000, -0.0003832000000000, -0.0000949600000000 ] - [ 0.0003061600000000, 0.0006178200000000, 0.0002895500000000 ] - [ -0.0000096800000000, 0.0000170200000000, 0.0000701100000000 ] - [ -0.0004102400000000, -0.0008221800000000, -0.0004511400000000 ] - [ 0.0000589500000000, -0.0000673600000000, -0.0001120600000000 ] - [ 0.0000527300000000, 0.0006092600000000, 0.0008985500000000 ] - [ -0.0009761900000000, 0.0010272900000000, 0.0008859400000000 ] - [ -0.0001334900000000, -0.0004476000000000, -0.0000950600000000 ] - [ 0.0003546400000000, -0.0006179100000000, -0.0002660000000000 ] - [ -0.0000466100000000, 0.0001624400000000, -0.0002909400000000 ] - [ -0.0000080500000000, 0.0001095800000000, -0.0000797600000000 ] - [ 0.0000881000000000, -0.0002987500000000, 0.0002217000000000 ] - [ -0.0000022600000000, -0.0000754500000000, 0.0000344300000000 ] - [ 0.0002036600000000, 0.0071092500000000, 0.0008454700000000 ] - [ 0.0000677800000000, 0.0003523200000000, -0.0001812500000000 ] - [ -0.0000436800000000, -0.0016782900000000, -0.0000711600000000 ] - [ -0.0000680800000000, -0.0002652100000000, -0.0000183200000000 ] - [ 0.0001631500000000, -0.0004114800000000, -0.0049789700000000 ] - [ -0.0000333700000000, -0.0000141100000000, -0.0001505000000000 ] - [ 0.0001509900000000, -0.0004499100000000, 0.0029640900000000 ] - [ 0.0000886800000000, -0.0000942300000000, 0.0002549600000000 ] - [ -0.0051038400000000, 0.0072286100000000, -0.0005965500000000 ] - [ -0.0010400900000000, 0.0012058000000000, -0.0002408200000000 ] - [ -0.0007459100000000, -0.0021582300000000, -0.0001691000000000 ] - [ 0.0003642400000000, -0.0008886700000000, 0.0000626300000000 ] - [ 0.0000387900000000, 0.0000933800000000, 0.0000992200000000 ] - [ 0.0000577000000000, 0.0001354200000000, 0.0000980000000000 ] - [ 0.0001070600000000, -0.0002070200000000, -0.0000643500000000 ] - [ -0.0000577600000000, -0.0002267300000000, -0.0000641000000000 ] - [ -0.0000080300000000, 0.0000795100000000, -0.0008300400000000 ] - [ -0.0000566100000000, -0.0000157700000000, -0.0000489800000000 ] - [ -0.0000453700000000, -0.0001644000000000, 0.0005199500000000 ] - [ -0.0000427400000000, -0.0001005300000000, 0.0000517100000000 ] - [ 0.0000323100000000, 0.0002027500000000, -0.0000348800000000 ] - [ 0.0000246600000000, 0.0001114400000000, 0.0000267100000000 ] - [ 0.0000478000000000, -0.0000792600000000, 0.0000391300000000 ] - [ 0.0000443400000000, -0.0000069600000000, 0.0000303000000000 ] - [ 0.0010152800000000, 0.0001522300000000, 0.0008599800000000 ] - [ -0.0009664700000000, -0.0000181700000000, 0.0008026700000000 ] - [ -0.0006207300000000, -0.0001846900000000, -0.0006710600000000 ] - [ 0.0007866600000000, -0.0004378800000000, -0.0007082300000000 ] - [ -0.0000896100000000, 0.0000664800000000, 0.0000592000000000 ] - [ 0.0000009500000000, 0.0000766200000000, 0.0000509600000000 ] - [ -0.0000108100000000, 0.0000387900000000, -0.0000259900000000 ] - [ -0.0000555900000000, 0.0000279500000000, 0.0000050100000000 ] - [ 0.0003445900000000, 0.0146894000000000, 0.0002720700000000 ] - [ 0.0000646800000000, 0.0000662500000000, 0.0000320400000000 ] - [ -0.0017059100000000, -0.0079970200000000, 0.0021804700000000 ] - [ 0.0000884800000000, -0.0002189500000000, -0.0000237800000000 ] - [ -0.0016268600000000, 0.0073109600000000, -0.0007547500000000 ] - [ 0.0005161400000000, -0.0001468100000000, 0.0003945000000000 ] - [ 0.0028315800000000, -0.0050125000000000, -0.0011880400000000 ] - [ -0.0001097300000000, -0.0002060400000000, -0.0000221400000000 ] - [ 0.0026174900000000, -0.0075727200000000, 0.0002631100000000 ] - [ -0.0002224800000000, -0.0026206400000000, -0.0013226800000000 ] - [ -0.0012830500000000, 0.0036300500000000, -0.0000338100000000 ] - [ 0.0003137100000000, 0.0015054100000000, 0.0003427400000000 ] - [ 0.0013039000000000, 0.0005252800000000, 0.0028943300000000 ] - [ -0.0000133500000000, 0.0000038400000000, 0.0001570700000000 ] - [ -0.0009210300000000, -0.0002112800000000, -0.0020694300000000 ] - [ -0.0000767000000000, 0.0000750800000000, -0.0002252700000000 ] - [ -0.0098525100000000, 0.0082117500000000, 0.0109472100000000 ] - [ 0.0002359900000000, 0.0002206800000000, 0.0001810700000000 ] - [ 0.0081173000000000, 0.0067176900000000, -0.0095513900000000 ] - [ -0.0002767200000000, 0.0002555700000000, -0.0002235400000000 ] - [ -0.0000243600000000, -0.0001917200000000, -0.0001428700000000 ] - [ 0.0001772700000000, -0.0001738200000000, -0.0003586500000000 ] - [ -0.0000556700000000, 0.0001464200000000, 0.0000998700000000 ] - [ -0.0002018800000000, 0.0001325100000000, 0.0003088300000000 ] - [ 0.0010211700000000, -0.0008057200000000, -0.0022212300000000 ] - [ -0.0004849100000000, -0.0006332800000000, -0.0006300200000000 ] - [ -0.0008102100000000, 0.0013816600000000, 0.0012955100000000 ] - [ 0.0004352300000000, 0.0004107100000000, 0.0005520400000000 ] - [ 0.0001160800000000, -0.0002002800000000, 0.0001599200000000 ] - [ 0.0000996400000000, -0.0001827200000000, 0.0000176700000000 ] - [ -0.0000675700000000, 0.0001376700000000, -0.0001759700000000 ] - [ 0.0000029600000000, 0.0001407900000000, -0.0000631100000000 ] - [ -0.0000858300000000, -0.0028324800000000, 0.0033359200000000 ] - [ -0.0001574900000000, -0.0003451200000000, 0.0001930500000000 ] - [ -0.0000313900000000, 0.0020504400000000, -0.0004169700000000 ] - [ 0.0000485200000000, 0.0003842500000000, -0.0000370200000000 ] - [ 0.0001499500000000, -0.0011005400000000, -0.0002875900000000 ] - [ 0.0000761100000000, -0.0003940800000000, -0.0004196800000000 ] - [ 0.0002783000000000, 0.0009409500000000, 0.0000550200000000 ] - [ -0.0000679600000000, 0.0003894400000000, 0.0001747900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0069742400000000, 0.0453221200000000, -0.0005070300000000 ] - [ 0.0000025000000000, 0.0002155700000000, -0.0000790300000000 ] - [ -0.0000332100000000, -0.0033805400000000, -0.0000972800000000 ] - [ 0.0000376000000000, -0.0001914800000000, -0.0000397200000000 ] - [ -0.0000003800000000, 0.0002523600000000, 0.0000435100000000 ] - [ -0.0000013800000000, 0.0000546900000000, 0.0000587200000000 ] - [ 0.0000482900000000, -0.0002333000000000, 0.0000031300000000 ] - [ -0.0000049300000000, -0.0000544200000000, 0.0000287100000000 ] - [ -0.0006101400000000, 0.0007000100000000, -0.0004646400000000 ] - [ 0.0005602400000000, 0.0006985700000000, -0.0005927800000000 ] - [ 0.0001844400000000, -0.0005176400000000, 0.0001992100000000 ] - [ -0.0001275100000000, -0.0005242500000000, 0.0001330800000000 ] - [ 0.0000138000000000, 0.0000640300000000, -0.0000090200000000 ] - [ 0.0000005200000000, 0.0000291400000000, -0.0000109100000000 ] - [ -0.0000183200000000, -0.0000757200000000, -0.0000579500000000 ] - [ 0.0000165600000000, -0.0000439700000000, -0.0000410500000000 ] - [ 0.0040129400000000, -0.0028316800000000, 0.0060424400000000 ] - [ -0.0002273900000000, 0.0001822500000000, -0.0000131200000000 ] - [ -0.0011865800000000, -0.0016720000000000, -0.0019215900000000 ] - [ 0.0002061800000000, -0.0001489900000000, 0.0000142600000000 ] - [ -0.0000424500000000, 0.0000412100000000, -0.0001350800000000 ] - [ -0.0000037800000000, 0.0000209900000000, -0.0000243000000000 ] - [ 0.0000142900000000, -0.0000516100000000, 0.0000282000000000 ] - [ -0.0000028500000000, -0.0000318100000000, -0.0000211900000000 ] - [ -0.0045858400000000, -0.0029554900000000, 0.0000958300000000 ] - [ 0.0006425400000000, -0.0001106200000000, 0.0001584900000000 ] - [ 0.0042186400000000, -0.0029357500000000, -0.0000118900000000 ] - [ -0.0004358400000000, -0.0001119300000000, -0.0001580900000000 ] - [ 0.0001480700000000, -0.0000041800000000, -0.0000449100000000 ] - [ -0.0000878000000000, -0.0000136100000000, -0.0000122600000000 ] - [ -0.0000904700000000, -0.0000129000000000, 0.0001029500000000 ] - [ 0.0000326700000000, -0.0000037900000000, 0.0000757700000000 ] - [ 0.0000997900000000, -0.0001273200000000, 0.0000695200000000 ] - [ 0.0001253400000000, -0.0001612000000000, 0.0000135500000000 ] - [ -0.0000414900000000, 0.0001467300000000, 0.0000580000000000 ] - [ -0.0000256000000000, 0.0001714600000000, 0.0001054600000000 ] - [ 0.0005476600000000, -0.0005806900000000, 0.0003061500000000 ] - [ -0.0000451000000000, -0.0002737000000000, -0.0000881100000000 ] - [ -0.0003969800000000, 0.0004214700000000, -0.0003472900000000 ] - [ -0.0000710300000000, 0.0001858300000000, -0.0001008500000000 ] - [ -0.0038882800000000, -0.0027499500000000, 0.0016261500000000 ] - [ 0.0004046800000000, -0.0015075100000000, -0.0001205800000000 ] - [ 0.0021287200000000, 0.0022335700000000, -0.0005616200000000 ] - [ -0.0002506800000000, 0.0007492000000000, -0.0000338300000000 ] - [ -0.0000712900000000, 0.0000223100000000, 0.0000533200000000 ] - [ 0.0000417700000000, 0.0000702100000000, 0.0000081800000000 ] - [ -0.0000101000000000, 0.0000032300000000, 0.0001012400000000 ] - [ -0.0000992200000000, -0.0000441200000000, 0.0001165600000000 ] - [ 0.0002670900000000, 0.0008579200000000, -0.0013186700000000 ] - [ -0.0001762200000000, 0.0001223300000000, -0.0001866400000000 ] - [ -0.0001472300000000, -0.0001353900000000, 0.0012846000000000 ] - [ 0.0001567800000000, -0.0000723000000000, 0.0000638200000000 ] - [ 0.0002023200000000, -0.0001322700000000, -0.0005897000000000 ] - [ -0.0000212900000000, -0.0000766400000000, -0.0003037000000000 ] - [ -0.0002483800000000, 0.0001514700000000, 0.0005684000000000 ] - [ 0.0000123200000000, 0.0000856600000000, 0.0002621000000000 ] - [ -0.0004274600000000, -0.0016348700000000, -0.0004426700000000 ] - [ -0.0002043500000000, -0.0004294300000000, -0.0000633400000000 ] - [ 0.0002413300000000, 0.0010728000000000, 0.0000075600000000 ] - [ 0.0001026200000000, 0.0004077900000000, -0.0000345500000000 ] - [ -0.0002285400000000, -0.0006434200000000, -0.0004157200000000 ] - [ 0.0000832600000000, -0.0000445800000000, -0.0001961600000000 ] - [ 0.0004829400000000, 0.0007952200000000, 0.0003288200000000 ] - [ 0.0000140600000000, 0.0000356100000000, -0.0000129200000000 ] - [ -0.0000543500000000, -0.0006556300000000, -0.0009188000000000 ] - [ 0.0009811200000000, -0.0010779500000000, -0.0008917300000000 ] - [ 0.0001355900000000, 0.0004030000000000, 0.0000987900000000 ] - [ -0.0003573400000000, 0.0005723700000000, 0.0002700600000000 ] - [ 0.0000444500000000, -0.0001197800000000, 0.0003127900000000 ] - [ 0.0000078900000000, -0.0000706200000000, 0.0000793900000000 ] - [ -0.0000901400000000, 0.0003367400000000, -0.0002278700000000 ] - [ 0.0000021600000000, 0.0001128900000000, -0.0000355800000000 ] - [ -0.0002939000000000, -0.0070259500000000, -0.0009348900000000 ] - [ -0.0001454200000000, -0.0002476200000000, 0.0001416400000000 ] - [ -0.0000290400000000, 0.0017783700000000, 0.0000134700000000 ] - [ -0.0000112000000000, 0.0003715700000000, -0.0000212800000000 ] - [ -0.0001646400000000, 0.0003668000000000, 0.0050043600000000 ] - [ 0.0000328500000000, -0.0000318900000000, 0.0001514400000000 ] - [ -0.0001574800000000, 0.0004168500000000, -0.0029436000000000 ] - [ -0.0000883400000000, 0.0000531900000000, -0.0002566200000000 ] - [ 0.0050163900000000, -0.0074015700000000, 0.0006282100000000 ] - [ 0.0009723600000000, -0.0013174600000000, 0.0002849900000000 ] - [ 0.0006849200000000, 0.0020473000000000, 0.0002125700000000 ] - [ -0.0004457200000000, 0.0007752700000000, -0.0000190200000000 ] - [ 0.0000338400000000, -0.0002014900000000, -0.0001402000000000 ] - [ 0.0000218100000000, -0.0002430600000000, -0.0001433700000000 ] - [ -0.0000298000000000, 0.0001004800000000, 0.0000263700000000 ] - [ 0.0001343000000000, 0.0001165300000000, 0.0000285600000000 ] - [ -0.0000636600000000, -0.0001901300000000, 0.0007946900000000 ] - [ -0.0000182600000000, -0.0000962300000000, 0.0000036300000000 ] - [ -0.0000309200000000, 0.0000552300000000, -0.0005604400000000 ] - [ -0.0000300500000000, -0.0000082200000000, -0.0000931000000000 ] - [ 0.0000402000000000, -0.0000970000000000, 0.0000802100000000 ] - [ 0.0000503200000000, -0.0000128800000000, 0.0000138500000000 ] - [ 0.0000323900000000, 0.0001794700000000, -0.0000013200000000 ] - [ 0.0000333200000000, 0.0001097900000000, 0.0000091900000000 ] - [ -0.0009417500000000, -0.0000585500000000, -0.0009021500000000 ] - [ 0.0010517600000000, 0.0001161000000000, -0.0008490900000000 ] - [ 0.0006938200000000, 0.0002904200000000, 0.0006239700000000 ] - [ -0.0006976600000000, 0.0005460000000000, 0.0006686800000000 ] - [ 0.0000088300000000, 0.0000384900000000, -0.0000201000000000 ] - [ -0.0000729600000000, 0.0000261900000000, -0.0000052600000000 ] - [ -0.0000606200000000, 0.0000625800000000, 0.0000703500000000 ] - [ -0.0000215900000000, 0.0000768700000000, 0.0000354400000000 ] - [ -0.0001349900000000, -0.0162430100000000, -0.0004739000000000 ] - [ 0.0000163700000000, -0.0001786400000000, 0.0000046100000000 ] - [ 0.0017492400000000, 0.0077942900000000, -0.0021023500000000 ] - [ -0.0000136100000000, 0.0001132100000000, 0.0000612700000000 ] - [ 0.0016299200000000, -0.0072798000000000, 0.0008058100000000 ] - [ -0.0006129200000000, 0.0001251900000000, -0.0002765300000000 ] - [ -0.0029038000000000, 0.0049688800000000, 0.0013125300000000 ] - [ 0.0000380600000000, 0.0001725000000000, 0.0001500200000000 ] - [ -0.0027228000000000, 0.0076510500000000, -0.0002900300000000 ] - [ 0.0002030400000000, 0.0026887200000000, 0.0013186800000000 ] - [ 0.0012326200000000, -0.0035804600000000, -0.0000170800000000 ] - [ -0.0003915000000000, -0.0014662500000000, -0.0003946400000000 ] - [ -0.0013715100000000, -0.0004815600000000, -0.0028613600000000 ] - [ -0.0000499800000000, 0.0000402600000000, -0.0001120100000000 ] - [ 0.0008537700000000, 0.0002468400000000, 0.0021058400000000 ] - [ 0.0000140600000000, -0.0000362000000000, 0.0002695900000000 ] - [ 0.0099445200000000, -0.0082373700000000, -0.0110272900000000 ] - [ -0.0001745900000000, -0.0001681400000000, -0.0002236400000000 ] - [ -0.0079266800000000, -0.0066977200000000, 0.0093714800000000 ] - [ 0.0003379700000000, -0.0002294000000000, 0.0001832900000000 ] - [ -0.0000414400000000, 0.0001463400000000, 0.0000947100000000 ] - [ -0.0002366400000000, 0.0001237200000000, 0.0003150900000000 ] - [ -0.0000045400000000, -0.0001967100000000, -0.0001437300000000 ] - [ 0.0001341500000000, -0.0001792000000000, -0.0003529200000000 ] - [ -0.0009612700000000, 0.0007837300000000, 0.0022726300000000 ] - [ 0.0005480200000000, 0.0005884500000000, 0.0006753200000000 ] - [ 0.0008656500000000, -0.0014354200000000, -0.0012455100000000 ] - [ -0.0003665500000000, -0.0004682300000000, -0.0005038200000000 ] - [ -0.0000552800000000, 0.0001443400000000, -0.0002153000000000 ] - [ -0.0000385100000000, 0.0001322300000000, -0.0000633500000000 ] - [ 0.0001342500000000, -0.0001843600000000, 0.0001371700000000 ] - [ 0.0000606400000000, -0.0001930500000000, 0.0000199900000000 ] - [ 0.0000448000000000, 0.0027294100000000, -0.0033457700000000 ] - [ 0.0000954400000000, 0.0002960500000000, -0.0001515200000000 ] - [ -0.0000383300000000, -0.0020970600000000, 0.0004765400000000 ] - [ -0.0001073200000000, -0.0004307800000000, 0.0000802500000000 ] - [ -0.0000922400000000, 0.0011490500000000, 0.0003438600000000 ] - [ -0.0000132400000000, 0.0004403300000000, 0.0004680300000000 ] - [ -0.0002159100000000, -0.0008963600000000, -0.0000187800000000 ] - [ 0.0001340400000000, -0.0003460200000000, -0.0001349500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0038481500000000, 0.0005580000000000, -0.0397987700000000 ] - [ -0.0001564500000000, 0.0000436600000000, -0.0005912500000000 ] - [ 0.0001309900000000, 0.0000640700000000, -0.0007220800000000 ] - [ -0.0001007500000000, 0.0000035000000000, -0.0004522800000000 ] - [ -0.0000153900000000, 0.0000144700000000, 0.0007533400000000 ] - [ 0.0000906800000000, 0.0000319900000000, 0.0004258300000000 ] - [ -0.0000212400000000, -0.0000306900000000, 0.0004912300000000 ] - [ 0.0000371000000000, 0.0000017500000000, 0.0003364000000000 ] - [ 0.0030969400000000, 0.0006197300000000, -0.0013057200000000 ] - [ -0.0019331500000000, 0.0004978700000000, -0.0013125300000000 ] - [ 0.0000699400000000, -0.0000969500000000, -0.0005493400000000 ] - [ -0.0001071900000000, -0.0001635700000000, -0.0005536600000000 ] - [ -0.0001260400000000, 0.0000197300000000, 0.0005718000000000 ] - [ 0.0000411600000000, 0.0000173800000000, 0.0004324600000000 ] - [ -0.0000014300000000, -0.0000244400000000, 0.0003803500000000 ] - [ 0.0000041000000000, -0.0000130400000000, 0.0003190700000000 ] - [ 0.0026191700000000, -0.0059988100000000, 0.0000337900000000 ] - [ -0.0002945100000000, 0.0000446600000000, -0.0005163200000000 ] - [ 0.0004817200000000, 0.0019663700000000, -0.0011350000000000 ] - [ -0.0002030300000000, 0.0000207800000000, -0.0004240600000000 ] - [ 0.0000350000000000, -0.0001073300000000, 0.0005512500000000 ] - [ 0.0000079800000000, 0.0000059000000000, 0.0003230700000000 ] - [ -0.0000010800000000, 0.0000665100000000, 0.0005244200000000 ] - [ 0.0000128300000000, 0.0000063100000000, 0.0003024700000000 ] - [ 0.0003601800000000, -0.0000110900000000, -0.0019446200000000 ] - [ -0.0001369500000000, 0.0001258000000000, -0.0009456700000000 ] - [ -0.0000062400000000, -0.0001366000000000, -0.0019438600000000 ] - [ -0.0002055800000000, -0.0001924300000000, -0.0009411800000000 ] - [ -0.0001086500000000, 0.0000440000000000, 0.0004738400000000 ] - [ 0.0000638900000000, 0.0000715600000000, 0.0004896900000000 ] - [ -0.0001128600000000, -0.0000437400000000, 0.0004885000000000 ] - [ 0.0000514900000000, -0.0000749800000000, 0.0004741300000000 ] - [ -0.0005001300000000, 0.0002784700000000, -0.0006906700000000 ] - [ 0.0002836300000000, -0.0001065500000000, -0.0004647500000000 ] - [ -0.0000980800000000, -0.0000466700000000, -0.0003020300000000 ] - [ 0.0001627700000000, -0.0001052000000000, -0.0003217500000000 ] - [ -0.0002602100000000, -0.0002659000000000, -0.0008083600000000 ] - [ 0.0002212500000000, -0.0003313200000000, -0.0005101100000000 ] - [ -0.0004678600000000, 0.0003526200000000, -0.0005477600000000 ] - [ 0.0000663000000000, 0.0000435900000000, -0.0003462100000000 ] - [ 0.0013325600000000, -0.0014648000000000, 0.0006396700000000 ] - [ -0.0008564700000000, -0.0008015300000000, 0.0003259500000000 ] - [ 0.0011291900000000, 0.0023322600000000, 0.0005037900000000 ] - [ -0.0001112900000000, 0.0002314800000000, 0.0003401600000000 ] - [ -0.0000885500000000, 0.0001753300000000, -0.0004135400000000 ] - [ 0.0002312400000000, 0.0001409000000000, -0.0003414200000000 ] - [ -0.0004483600000000, -0.0005619700000000, -0.0007031000000000 ] - [ 0.0001586800000000, 0.0000258700000000, -0.0003270300000000 ] - [ 0.0000175000000000, 0.0022539800000000, -0.0001510300000000 ] - [ -0.0002625300000000, 0.0002190200000000, 0.0000160200000000 ] - [ 0.0024638800000000, -0.0038051300000000, -0.0014343000000000 ] - [ -0.0002116500000000, -0.0000112400000000, 0.0000307000000000 ] - [ 0.0008130100000000, 0.0007582800000000, -0.0016307400000000 ] - [ -0.0001757900000000, 0.0001907200000000, -0.0004651800000000 ] - [ 0.0008735700000000, -0.0003120400000000, -0.0012056300000000 ] - [ -0.0001972500000000, -0.0001720400000000, -0.0003745900000000 ] - [ 0.0034848900000000, 0.0021144300000000, -0.0028904400000000 ] - [ -0.0008841400000000, -0.0000105400000000, -0.0000120600000000 ] - [ 0.0002453500000000, -0.0002946800000000, 0.0001870900000000 ] - [ -0.0002561200000000, -0.0001947400000000, -0.0000183000000000 ] - [ -0.0001130400000000, 0.0001520800000000, -0.0011013500000000 ] - [ 0.0003445800000000, 0.0001760400000000, -0.0004916300000000 ] - [ -0.0002479200000000, -0.0003679600000000, -0.0005760100000000 ] - [ 0.0001534900000000, -0.0000455800000000, -0.0003014800000000 ] - [ -0.0011533100000000, 0.0000134900000000, -0.0008115100000000 ] - [ 0.0017163300000000, -0.0003953400000000, -0.0019502500000000 ] - [ -0.0001847100000000, -0.0000342000000000, 0.0001158300000000 ] - [ 0.0003590800000000, 0.0000612100000000, -0.0004330600000000 ] - [ -0.0005596400000000, -0.0002740800000000, -0.0049970300000000 ] - [ -0.0000337200000000, -0.0000318900000000, -0.0003153100000000 ] - [ -0.0003504700000000, 0.0001542200000000, -0.0007063300000000 ] - [ -0.0000141700000000, 0.0000524400000000, -0.0002144000000000 ] - [ 0.0018100600000000, -0.0001869200000000, 0.0093158700000000 ] - [ 0.0000951800000000, 0.0000210300000000, 0.0007155100000000 ] - [ -0.0003609800000000, 0.0001685000000000, 0.0010706800000000 ] - [ 0.0000757900000000, 0.0001466000000000, 0.0004303900000000 ] - [ -0.0000943100000000, -0.0013561200000000, -0.0012904300000000 ] - [ -0.0000870000000000, -0.0001564600000000, -0.0001198000000000 ] - [ -0.0005245000000000, 0.0013275700000000, -0.0015443000000000 ] - [ -0.0000234000000000, 0.0001129400000000, -0.0000641200000000 ] - [ 0.0010589300000000, -0.0001899800000000, 0.0066997300000000 ] - [ 0.0018193000000000, -0.0003193100000000, 0.0023350600000000 ] - [ -0.0002684800000000, -0.0000570200000000, 0.0007682100000000 ] - [ 0.0004087600000000, 0.0001545200000000, 0.0008926500000000 ] - [ 0.0000784600000000, 0.0000008600000000, -0.0008766400000000 ] - [ -0.0002845200000000, 0.0000446500000000, -0.0010007200000000 ] - [ 0.0000741600000000, -0.0000173900000000, -0.0005368700000000 ] - [ -0.0002102500000000, 0.0000263800000000, -0.0005399800000000 ] - [ 0.0001363000000000, -0.0000316100000000, -0.0010465100000000 ] - [ 0.0000265900000000, -0.0000760400000000, -0.0004874700000000 ] - [ 0.0001524300000000, 0.0001448300000000, -0.0010127800000000 ] - [ 0.0000241500000000, 0.0000640500000000, -0.0004658800000000 ] - [ 0.0001605200000000, 0.0001685300000000, -0.0014417200000000 ] - [ 0.0001660400000000, 0.0000921600000000, -0.0005241100000000 ] - [ 0.0001371300000000, 0.0001229900000000, -0.0006801100000000 ] - [ 0.0001477600000000, 0.0001198900000000, -0.0004329900000000 ] - [ -0.0010064100000000, 0.0010636300000000, 0.0006491900000000 ] - [ 0.0011769600000000, 0.0011184400000000, 0.0009684900000000 ] - [ -0.0010966900000000, -0.0008909900000000, 0.0006331300000000 ] - [ 0.0011861300000000, -0.0003141600000000, 0.0010505900000000 ] - [ -0.0000938600000000, 0.0001548300000000, -0.0008133800000000 ] - [ -0.0002174300000000, 0.0001915300000000, -0.0006097800000000 ] - [ -0.0000498800000000, 0.0000684500000000, -0.0007378200000000 ] - [ -0.0002600000000000, 0.0000830200000000, -0.0005960500000000 ] - [ 0.0000207600000000, 0.0008759400000000, 0.0078185700000000 ] - [ -0.0000373000000000, -0.0001601700000000, 0.0006901300000000 ] - [ -0.0006914900000000, 0.0016964000000000, 0.0036067800000000 ] - [ 0.0000208900000000, 0.0001450600000000, 0.0006286200000000 ] - [ 0.0004662900000000, 0.0001219800000000, 0.0058428000000000 ] - [ -0.0006162200000000, 0.0004232100000000, 0.0001948800000000 ] - [ 0.0001226600000000, -0.0005163200000000, 0.0002695200000000 ] - [ -0.0001458500000000, -0.0001391200000000, 0.0003024700000000 ] - [ -0.0087210000000000, 0.0029241000000000, -0.0003857200000000 ] - [ 0.0059497700000000, 0.0001159900000000, 0.0005757000000000 ] - [ -0.0010870500000000, -0.0006995700000000, -0.0004666700000000 ] - [ 0.0000448600000000, -0.0001048600000000, -0.0006402900000000 ] - [ 0.0003091800000000, 0.0006638800000000, 0.0025061900000000 ] - [ -0.0003406900000000, 0.0002015400000000, 0.0005470100000000 ] - [ 0.0003361800000000, -0.0006532600000000, 0.0024446300000000 ] - [ -0.0002595700000000, -0.0002725600000000, 0.0005445500000000 ] - [ -0.0021037000000000, 0.0069591300000000, 0.0006012600000000 ] - [ 0.0007332900000000, 0.0005535100000000, -0.0004786000000000 ] - [ -0.0007053200000000, -0.0111063000000000, -0.0002487600000000 ] - [ 0.0003808200000000, -0.0005696000000000, -0.0005097300000000 ] - [ 0.0003637500000000, -0.0004993200000000, 0.0010643200000000 ] - [ -0.0005329800000000, -0.0000587000000000, 0.0018080500000000 ] - [ 0.0005321900000000, 0.0002796300000000, 0.0008957700000000 ] - [ -0.0003428900000000, 0.0001555300000000, 0.0014354600000000 ] - [ -0.0026998700000000, -0.0052040500000000, 0.0012887400000000 ] - [ 0.0011661700000000, -0.0006281700000000, 0.0002759800000000 ] - [ -0.0030870400000000, 0.0019942100000000, 0.0001700800000000 ] - [ 0.0007098800000000, 0.0004142700000000, 0.0002431700000000 ] - [ 0.0011205400000000, 0.0004157000000000, 0.0035699100000000 ] - [ -0.0003468500000000, 0.0000272000000000, 0.0007816600000000 ] - [ 0.0000822900000000, -0.0001302800000000, 0.0011747500000000 ] - [ -0.0002561900000000, -0.0001630300000000, 0.0005922000000000 ] - [ -0.0029952600000000, 0.0048113700000000, 0.0164837900000000 ] - [ 0.0004494300000000, 0.0001904200000000, -0.0002220500000000 ] - [ 0.0009435600000000, -0.0013164900000000, -0.0003079800000000 ] - [ 0.0001585300000000, -0.0002318700000000, -0.0001572200000000 ] - [ 0.0006596000000000, 0.0002599100000000, 0.0025424900000000 ] - [ -0.0005983300000000, 0.0002180100000000, 0.0019437800000000 ] - [ 0.0006893500000000, -0.0001986100000000, 0.0005181000000000 ] - [ -0.0001556800000000, -0.0000175600000000, 0.0008105100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0029650700000000, -0.0008108100000000, 0.0390096200000000 ] - [ 0.0001479300000000, -0.0000450100000000, 0.0005221200000000 ] - [ -0.0001398900000000, -0.0000633300000000, 0.0006490600000000 ] - [ 0.0000922200000000, -0.0000043500000000, 0.0003789800000000 ] - [ 0.0000265000000000, -0.0000109400000000, -0.0006923300000000 ] - [ -0.0000857000000000, -0.0000231800000000, -0.0003628700000000 ] - [ 0.0000389100000000, 0.0000315600000000, -0.0004217400000000 ] - [ -0.0000302000000000, 0.0000051700000000, -0.0002729800000000 ] - [ -0.0031039800000000, -0.0006202200000000, 0.0013646500000000 ] - [ 0.0019149500000000, -0.0004943100000000, 0.0013590000000000 ] - [ -0.0000804900000000, 0.0001006200000000, 0.0006203700000000 ] - [ 0.0000965000000000, 0.0001584600000000, 0.0006154200000000 ] - [ 0.0001348100000000, -0.0000252200000000, -0.0006379500000000 ] - [ -0.0000347400000000, -0.0000237300000000, -0.0004970900000000 ] - [ 0.0000162000000000, 0.0000229100000000, -0.0004478000000000 ] - [ 0.0000050400000000, 0.0000060700000000, -0.0003820100000000 ] - [ -0.0025818100000000, 0.0059617000000000, 0.0000115000000000 ] - [ 0.0003029700000000, -0.0000475100000000, 0.0005773700000000 ] - [ -0.0004715100000000, -0.0019664000000000, 0.0011899300000000 ] - [ 0.0002129900000000, -0.0000212000000000, 0.0004918300000000 ] - [ -0.0000437000000000, 0.0000986100000000, -0.0006161000000000 ] - [ -0.0000159600000000, -0.0000076600000000, -0.0003866600000000 ] - [ -0.0000129600000000, -0.0000637000000000, -0.0005973500000000 ] - [ -0.0000224500000000, -0.0000106600000000, -0.0003647100000000 ] - [ -0.0003380500000000, 0.0000300600000000, 0.0018746000000000 ] - [ 0.0001523600000000, -0.0001247300000000, 0.0008703300000000 ] - [ 0.0000244900000000, 0.0001170500000000, 0.0018729300000000 ] - [ 0.0002138900000000, 0.0001947100000000, 0.0008732200000000 ] - [ 0.0001001300000000, -0.0000413200000000, -0.0004080200000000 ] - [ -0.0000771900000000, -0.0000706000000000, -0.0004222400000000 ] - [ 0.0001066400000000, 0.0000472100000000, -0.0004245900000000 ] - [ -0.0000623200000000, 0.0000799400000000, -0.0004083600000000 ] - [ 0.0005696800000000, -0.0002526200000000, 0.0008119300000000 ] - [ -0.0002045600000000, 0.0001326000000000, 0.0005864900000000 ] - [ 0.0001707800000000, 0.0000725600000000, 0.0004242400000000 ] - [ -0.0000906700000000, 0.0001286300000000, 0.0004426600000000 ] - [ 0.0001867600000000, 0.0002405700000000, 0.0006851300000000 ] - [ -0.0002989000000000, 0.0003034500000000, 0.0003819400000000 ] - [ 0.0003938200000000, -0.0003810200000000, 0.0004212800000000 ] - [ -0.0001424900000000, -0.0000692700000000, 0.0002188900000000 ] - [ -0.0012562100000000, 0.0014453900000000, -0.0005313200000000 ] - [ 0.0009242000000000, 0.0007624500000000, -0.0002123100000000 ] - [ -0.0010508800000000, -0.0023589300000000, -0.0003814800000000 ] - [ 0.0001842500000000, -0.0002524100000000, -0.0002192300000000 ] - [ 0.0000144900000000, -0.0001512100000000, 0.0005355200000000 ] - [ -0.0003058200000000, -0.0001138000000000, 0.0004638400000000 ] - [ 0.0003703200000000, 0.0005891600000000, 0.0008264800000000 ] - [ -0.0002307400000000, 0.0000017100000000, 0.0004490700000000 ] - [ 0.0000520700000000, -0.0022108600000000, 0.0000285600000000 ] - [ 0.0003344800000000, -0.0001935300000000, -0.0001377600000000 ] - [ -0.0023849500000000, 0.0038086200000000, 0.0013016000000000 ] - [ 0.0002825200000000, 0.0000354800000000, -0.0001515000000000 ] - [ -0.0008078200000000, -0.0007086100000000, 0.0016211000000000 ] - [ 0.0001746400000000, -0.0001474800000000, 0.0004664800000000 ] - [ -0.0008705600000000, 0.0003534000000000, 0.0012022200000000 ] - [ 0.0001954400000000, 0.0002156800000000, 0.0003767000000000 ] - [ -0.0035341000000000, -0.0020666600000000, 0.0027276500000000 ] - [ 0.0008096200000000, 0.0000356400000000, -0.0001124700000000 ] - [ -0.0003167900000000, 0.0003180600000000, -0.0003081400000000 ] - [ 0.0001782200000000, 0.0002216200000000, -0.0001068400000000 ] - [ 0.0001885800000000, -0.0001835700000000, 0.0009815300000000 ] - [ -0.0002715500000000, -0.0002006800000000, 0.0003659500000000 ] - [ 0.0003220200000000, 0.0003466000000000, 0.0004521300000000 ] - [ -0.0000801700000000, 0.0000184000000000, 0.0001760000000000 ] - [ 0.0011710700000000, -0.0000578300000000, 0.0007966700000000 ] - [ -0.0017113900000000, 0.0003495100000000, 0.0019398600000000 ] - [ 0.0001866600000000, -0.0000085400000000, -0.0001235600000000 ] - [ -0.0003572500000000, -0.0001040400000000, 0.0004263600000000 ] - [ 0.0005444200000000, 0.0003166300000000, 0.0050005500000000 ] - [ 0.0000351200000000, 0.0000747100000000, 0.0003152500000000 ] - [ 0.0003477500000000, -0.0001104400000000, 0.0007048300000000 ] - [ 0.0000151900000000, -0.0000096900000000, 0.0002157600000000 ] - [ -0.0014567200000000, 0.0003489000000000, -0.0085292600000000 ] - [ -0.0001656200000000, 0.0000870500000000, -0.0007539000000000 ] - [ 0.0002898100000000, -0.0000585400000000, -0.0011102900000000 ] - [ -0.0001527700000000, -0.0000365800000000, -0.0004674700000000 ] - [ 0.0000881400000000, 0.0013296700000000, 0.0012809900000000 ] - [ 0.0000852200000000, 0.0001134900000000, 0.0001151100000000 ] - [ 0.0005168100000000, -0.0013749100000000, 0.0015324600000000 ] - [ 0.0000224300000000, -0.0001540100000000, 0.0000570100000000 ] - [ -0.0010746100000000, 0.0000710900000000, -0.0066385000000000 ] - [ -0.0018909300000000, 0.0002167200000000, -0.0022903500000000 ] - [ 0.0001955200000000, -0.0000484000000000, -0.0007254600000000 ] - [ -0.0004819800000000, -0.0002622800000000, -0.0008465500000000 ] - [ -0.0000120800000000, -0.0001062900000000, 0.0008325100000000 ] - [ 0.0003637600000000, -0.0001493200000000, 0.0009582400000000 ] - [ -0.0000014400000000, -0.0000855500000000, 0.0004925000000000 ] - [ 0.0002844200000000, -0.0001329200000000, 0.0004983300000000 ] - [ -0.0002062000000000, -0.0000723900000000, 0.0010066200000000 ] - [ -0.0000981900000000, -0.0000324900000000, 0.0004398400000000 ] - [ -0.0002270100000000, -0.0002523500000000, 0.0009670300000000 ] - [ -0.0000934200000000, -0.0001709000000000, 0.0004201500000000 ] - [ -0.0000912700000000, -0.0000592400000000, 0.0014854400000000 ] - [ -0.0000918200000000, 0.0000100700000000, 0.0005622400000000 ] - [ -0.0000614600000000, -0.0000184700000000, 0.0007193400000000 ] - [ -0.0000743400000000, -0.0000137800000000, 0.0004721100000000 ] - [ 0.0010771300000000, -0.0009579300000000, -0.0006866000000000 ] - [ -0.0010934300000000, -0.0010032400000000, -0.0010008200000000 ] - [ 0.0011695500000000, 0.0009935300000000, -0.0006752400000000 ] - [ -0.0011026100000000, 0.0004177800000000, -0.0010815000000000 ] - [ 0.0000164300000000, -0.0000462100000000, 0.0008502700000000 ] - [ 0.0001472500000000, -0.0000853100000000, 0.0006543200000000 ] - [ -0.0000196800000000, 0.0000354500000000, 0.0007809700000000 ] - [ 0.0001856100000000, 0.0000256400000000, 0.0006355600000000 ] - [ 0.0000532300000000, -0.0009237600000000, -0.0077612100000000 ] - [ 0.0001128200000000, 0.0000529900000000, -0.0006507300000000 ] - [ 0.0007661600000000, -0.0017787200000000, -0.0035765200000000 ] - [ 0.0000489600000000, -0.0002510300000000, -0.0005884200000000 ] - [ -0.0002824700000000, -0.0000017500000000, -0.0059356500000000 ] - [ 0.0005204000000000, -0.0004445400000000, -0.0000842700000000 ] - [ -0.0001869400000000, 0.0004766900000000, -0.0001580600000000 ] - [ 0.0000699900000000, 0.0001121900000000, -0.0001803800000000 ] - [ 0.0086542600000000, -0.0028752100000000, 0.0003527200000000 ] - [ -0.0060249200000000, -0.0000519900000000, -0.0005465600000000 ] - [ 0.0010153700000000, 0.0007469000000000, 0.0004212800000000 ] - [ -0.0001083100000000, 0.0001471400000000, 0.0005994400000000 ] - [ -0.0003725000000000, -0.0006253000000000, -0.0024696200000000 ] - [ 0.0002764500000000, -0.0001562000000000, -0.0004956900000000 ] - [ -0.0003961400000000, 0.0007098100000000, -0.0023964800000000 ] - [ 0.0001946600000000, 0.0003170700000000, -0.0004938400000000 ] - [ 0.0021741500000000, -0.0069474100000000, -0.0005760000000000 ] - [ -0.0006677600000000, -0.0005025700000000, 0.0004342300000000 ] - [ 0.0007861200000000, 0.0111684500000000, 0.0002412400000000 ] - [ -0.0003131100000000, 0.0006068300000000, 0.0004695400000000 ] - [ -0.0004279000000000, 0.0004538600000000, -0.0011150900000000 ] - [ 0.0004682500000000, 0.0000108800000000, -0.0018452200000000 ] - [ -0.0005894800000000, -0.0003246700000000, -0.0009433300000000 ] - [ 0.0002740800000000, -0.0001975300000000, -0.0014803600000000 ] - [ 0.0027415200000000, 0.0051038700000000, -0.0012407500000000 ] - [ -0.0011008100000000, 0.0005808400000000, -0.0002324700000000 ] - [ 0.0031323200000000, -0.0020277500000000, -0.0001316100000000 ] - [ -0.0006426100000000, -0.0004651900000000, -0.0001990600000000 ] - [ -0.0010527900000000, -0.0004652700000000, -0.0036144500000000 ] - [ 0.0004034900000000, -0.0000732500000000, -0.0008285500000000 ] - [ -0.0000159200000000, 0.0000855900000000, -0.0012188300000000 ] - [ 0.0003172500000000, 0.0001120700000000, -0.0006398500000000 ] - [ 0.0030229300000000, -0.0048163400000000, -0.0162541600000000 ] - [ -0.0005136200000000, -0.0002326300000000, 0.0002630100000000 ] - [ -0.0010025200000000, 0.0012626600000000, 0.0003503400000000 ] - [ -0.0002186800000000, 0.0001863600000000, 0.0001967100000000 ] - [ -0.0006040500000000, -0.0002135400000000, -0.0025084800000000 ] - [ 0.0006627800000000, -0.0001694400000000, -0.0018901700000000 ] - [ -0.0006292200000000, 0.0002474400000000, -0.0004689900000000 ] - [ 0.0002201700000000, 0.0000653000000000, -0.0007589600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000599800000000, -0.0000612500000000, -0.0005656300000000 ] - [ -0.0001176300000000, -0.0000862400000000, 0.0002100200000000 ] - [ 0.0000637000000000, 0.0000754100000000, -0.0001684400000000 ] - [ -0.0000831600000000, 0.0000598300000000, 0.0000888200000000 ] - [ 0.0028325800000000, -0.0003755300000000, 0.0035353900000000 ] - [ -0.0011552300000000, -0.0001605700000000, -0.0008161900000000 ] - [ 0.0007769300000000, 0.0002745400000000, 0.0003170200000000 ] - [ -0.0006081600000000, 0.0001483200000000, -0.0001863000000000 ] - [ 0.0011255300000000, -0.0002644300000000, 0.0001842400000000 ] - [ -0.0007998900000000, 0.0000465700000000, -0.0002724300000000 ] - [ 0.0004311500000000, 0.0004462600000000, 0.0003265400000000 ] - [ -0.0004179800000000, -0.0000258500000000, -0.0000833900000000 ] - [ -0.0043911800000000, 0.0005599600000000, 0.0005357400000000 ] - [ 0.0049300700000000, -0.0015355000000000, -0.0002510200000000 ] - [ -0.0004569300000000, -0.0000792900000000, 0.0000746000000000 ] - [ 0.0004736600000000, 0.0028507700000000, -0.0001842700000000 ] - [ 0.0008683900000000, -0.0005800400000000, -0.0001908800000000 ] - [ -0.0006546600000000, 0.0000043900000000, 0.0002926100000000 ] - [ 0.0005899700000000, 0.0003547300000000, -0.0003966300000000 ] - [ -0.0004409100000000, 0.0000319300000000, 0.0001439400000000 ] - [ -0.0003436000000000, -0.0038962300000000, 0.0012642900000000 ] - [ -0.0033727200000000, 0.0003742200000000, -0.0009236900000000 ] - [ -0.0006009700000000, 0.0020910900000000, 0.0010532600000000 ] - [ -0.0004997000000000, -0.0003013800000000, -0.0001782900000000 ] - [ -0.0000910200000000, -0.0000624700000000, -0.0002266200000000 ] - [ -0.0000187300000000, 0.0000290200000000, 0.0003661400000000 ] - [ -0.0001525700000000, 0.0000820000000000, -0.0003013800000000 ] - [ 0.0001204200000000, -0.0000323800000000, 0.0000179900000000 ] - [ 0.0022927000000000, 0.0001806100000000, -0.0023802900000000 ] - [ -0.0008576300000000, -0.0001169000000000, 0.0002781800000000 ] - [ 0.0012151900000000, -0.0002247400000000, 0.0000467900000000 ] - [ -0.0008009000000000, 0.0002143300000000, 0.0003289500000000 ] - [ -0.2500262700000000, 0.1347574000000000, -0.0179194000000000 ] - [ 0.0036914300000000, -0.0006442600000000, 0.0000492200000000 ] - [ -0.0031223200000000, -0.0008635200000000, -0.0004267700000000 ] - [ 0.0018378100000000, -0.0009133400000000, 0.0001758000000000 ] - [ 0.0000912700000000, 0.0003435700000000, -0.0004549200000000 ] - [ 0.0002471000000000, 0.0001928600000000, 0.0009982700000000 ] - [ 0.0003298600000000, -0.0005168400000000, -0.0003018900000000 ] - [ 0.0001081100000000, -0.0000939800000000, 0.0002219800000000 ] - [ -0.0005020600000000, -0.0001085900000000, 0.0000022500000000 ] - [ 0.0005783000000000, 0.0002637500000000, 0.0001229100000000 ] - [ -0.0004783400000000, -0.0002772700000000, 0.0000755500000000 ] - [ 0.0004219300000000, 0.0000398400000000, 0.0001436200000000 ] - [ -0.0039348000000000, 0.0121206100000000, 0.0000473700000000 ] - [ 0.0024157800000000, 0.0002338500000000, -0.0001596100000000 ] - [ -0.0039745000000000, -0.0127556100000000, 0.0003366100000000 ] - [ 0.0024223600000000, 0.0015377200000000, -0.0002213600000000 ] - [ -0.0000837300000000, 0.0008295200000000, 0.0003563100000000 ] - [ 0.0017113700000000, -0.0009671500000000, -0.0013573000000000 ] - [ 0.0017150000000000, -0.0027620800000000, 0.0020875000000000 ] - [ -0.0000893400000000, 0.0006805700000000, -0.0004175700000000 ] - [ 0.0012067400000000, 0.0004440700000000, -0.0003378200000000 ] - [ 0.0000916700000000, -0.0114639100000000, -0.0144151700000000 ] - [ 0.0013074900000000, -0.0004447600000000, -0.0002683600000000 ] - [ -0.0021416100000000, 0.0007742000000000, 0.0004817200000000 ] - [ 0.0026297900000000, 0.0017421000000000, 0.0021093800000000 ] - [ 0.0008267900000000, 0.0012497900000000, -0.0020451400000000 ] - [ 0.0002230500000000, -0.0003986700000000, 0.0001656500000000 ] - [ -0.0001689500000000, -0.0007904300000000, -0.0003974800000000 ] - [ 0.0003626800000000, -0.0004320300000000, -0.0014344300000000 ] - [ 0.0003577700000000, 0.0004586200000000, 0.0004080900000000 ] - [ 0.0001706400000000, 0.0000966800000000, -0.0002590100000000 ] - [ 0.0001690700000000, -0.0002619300000000, 0.0003611800000000 ] - [ 0.0004816200000000, 0.0000466200000000, -0.0006567400000000 ] - [ -0.0004008600000000, 0.0000678100000000, 0.0010935000000000 ] - [ 0.0003026100000000, -0.0000929100000000, -0.0002919200000000 ] - [ -0.0003303900000000, -0.0000838500000000, 0.0007514400000000 ] - [ 0.0154141100000000, -0.0066374000000000, 0.0227482200000000 ] - [ 0.0018493500000000, 0.0006143200000000, -0.0009988100000000 ] - [ -0.0002931300000000, -0.0000147600000000, 0.0006638500000000 ] - [ 0.0007326400000000, -0.0003310900000000, -0.0001109400000000 ] - [ -0.0011100900000000, 0.0005866800000000, 0.0029343400000000 ] - [ 0.0010363300000000, 0.0001829600000000, -0.0007683800000000 ] - [ -0.0007460900000000, -0.0001344300000000, 0.0003605000000000 ] - [ 0.0006557900000000, -0.0003163000000000, -0.0004300400000000 ] - [ -0.0003281700000000, 0.0000303300000000, -0.0005781300000000 ] - [ 0.0004715500000000, -0.0000398400000000, 0.0007832800000000 ] - [ -0.0003530800000000, -0.0001706600000000, -0.0006862900000000 ] - [ 0.0003566400000000, 0.0000290600000000, 0.0005115900000000 ] - [ 0.0003500500000000, 0.0000091700000000, 0.0003433500000000 ] - [ -0.0003889500000000, 0.0000788400000000, -0.0000838200000000 ] - [ 0.0002002500000000, -0.0000410600000000, 0.0001914700000000 ] - [ -0.0002412600000000, -0.0002655600000000, -0.0001531900000000 ] - [ -0.0019090600000000, 0.0009077300000000, 0.0023572900000000 ] - [ 0.0016901800000000, 0.0000219300000000, -0.0007303300000000 ] - [ -0.0009942700000000, -0.0012259300000000, 0.0013254100000000 ] - [ 0.0007166400000000, -0.0001366100000000, -0.0001463200000000 ] - [ -0.0015127800000000, 0.0011369400000000, -0.0012499900000000 ] - [ 0.0011711400000000, -0.0002108000000000, 0.0007838400000000 ] - [ -0.0008255400000000, -0.0008086400000000, -0.0012338100000000 ] - [ 0.0006799100000000, 0.0000243800000000, 0.0002354900000000 ] - [ 0.0259141500000000, -0.0072692000000000, -0.0111333800000000 ] - [ 0.0061013400000000, 0.0014628200000000, 0.0006581900000000 ] - [ -0.0000099700000000, -0.0000731800000000, -0.0003304400000000 ] - [ 0.0017431600000000, -0.0009458300000000, -0.0002450700000000 ] - [ -0.0009534100000000, 0.0000586400000000, -0.0024864300000000 ] - [ 0.0009445200000000, 0.0005861500000000, 0.0004293200000000 ] - [ -0.0009017300000000, -0.0001289000000000, -0.0002470800000000 ] - [ 0.0011459800000000, -0.0000913600000000, 0.0004725900000000 ] - [ 0.0022185400000000, 0.0012918500000000, 0.0002447900000000 ] - [ 0.0038568500000000, -0.0226819100000000, 0.0085924200000000 ] - [ 0.0026508100000000, -0.0016097100000000, 0.0003215600000000 ] - [ -0.0026943600000000, 0.0034829100000000, -0.0000032000000000 ] - [ -0.0002567100000000, 0.0001874700000000, 0.0002996700000000 ] - [ 0.0003642200000000, -0.0000830500000000, -0.0001880900000000 ] - [ -0.0002116800000000, -0.0001598300000000, 0.0003354800000000 ] - [ 0.0002335200000000, -0.0000910700000000, -0.0000582900000000 ] - [ -0.0006404900000000, 0.0001895800000000, 0.0002665200000000 ] - [ 0.0004482600000000, -0.0001368000000000, 0.0000258500000000 ] - [ -0.0005018000000000, 0.0001196400000000, 0.0001069300000000 ] - [ 0.0003954000000000, -0.0002231300000000, 0.0000787100000000 ] - [ 0.0010130200000000, -0.0000546600000000, -0.0006069400000000 ] - [ -0.0009382300000000, -0.0002350000000000, 0.0001838900000000 ] - [ 0.0007759300000000, 0.0003185800000000, -0.0003480600000000 ] - [ -0.0006913800000000, 0.0000593400000000, 0.0000444300000000 ] - [ 0.0001341900000000, -0.0005207800000000, 0.0010612400000000 ] - [ -0.0010781100000000, 0.0003168600000000, -0.0014802100000000 ] - [ 0.0000902000000000, 0.0010962900000000, 0.0014276500000000 ] - [ -0.0007460500000000, -0.0004817900000000, -0.0005917800000000 ] - [ 0.0009554800000000, -0.0001211900000000, 0.0001608400000000 ] - [ -0.0008544000000000, 0.0001351000000000, -0.0003963700000000 ] - [ 0.0009074400000000, -0.0000278100000000, 0.0001197400000000 ] - [ -0.0006309300000000, 0.0001326400000000, -0.0003176400000000 ] - [ 0.0444792400000000, -0.0281035800000000, 0.0021866600000000 ] - [ -0.0044907700000000, -0.0004833900000000, -0.0003361900000000 ] - [ 0.0117273700000000, 0.0013135700000000, 0.0004525900000000 ] - [ -0.0039044100000000, 0.0007922400000000, -0.0005495800000000 ] - [ -0.0015948100000000, -0.0025097900000000, -0.0005906600000000 ] - [ -0.0026478400000000, -0.0014802400000000, 0.0094189700000000 ] - [ -0.0024629100000000, 0.0013829200000000, -0.0003989500000000 ] - [ 0.0011866500000000, 0.0002050100000000, 0.0005057600000000 ] - [ 0.1591389600000000, -0.0605682700000000, 0.0065844900000000 ] - [ -0.0066981300000000, -0.0016563900000000, 0.0019289400000000 ] - [ 0.0018706000000000, -0.0007499300000000, -0.0007583200000000 ] - [ -0.0029985200000000, 0.0005767400000000, 0.0005881100000000 ] - [ -0.0028925700000000, 0.0013743300000000, -0.0131078100000000 ] - [ -0.0019586100000000, -0.0014920700000000, 0.0023098100000000 ] - [ 0.0007030300000000, -0.0001018400000000, -0.0008062800000000 ] - [ -0.0011723000000000, 0.0016799600000000, 0.0008185300000000 ] - [ -0.0013363500000000, -0.0004312000000000, 0.0016539900000000 ] - [ -0.0000846200000000, -0.0005070600000000, -0.0020243000000000 ] - [ -0.0006092300000000, 0.0004426700000000, 0.0003253500000000 ] - [ 0.0000954300000000, 0.0004946800000000, -0.0012290600000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000529000000000, 0.0000647800000000, 0.0005048900000000 ] - [ 0.0001091600000000, 0.0000858100000000, -0.0002773600000000 ] - [ -0.0000731400000000, -0.0000789700000000, 0.0001013500000000 ] - [ 0.0000753300000000, -0.0000621600000000, -0.0001648000000000 ] - [ -0.0028518500000000, 0.0003919600000000, -0.0034831900000000 ] - [ 0.0011640300000000, 0.0001716800000000, 0.0008774600000000 ] - [ -0.0007588800000000, -0.0002795100000000, -0.0002459600000000 ] - [ 0.0006178800000000, -0.0001417300000000, 0.0002507500000000 ] - [ -0.0011388900000000, 0.0002704800000000, -0.0001181500000000 ] - [ 0.0007945300000000, -0.0000465300000000, 0.0003423700000000 ] - [ -0.0004441900000000, -0.0004468500000000, -0.0002489200000000 ] - [ 0.0004098500000000, 0.0000216500000000, 0.0001488100000000 ] - [ 0.0044140800000000, -0.0005673600000000, -0.0006000600000000 ] - [ -0.0046359200000000, 0.0017237000000000, 0.0004976800000000 ] - [ 0.0004635900000000, 0.0000764200000000, -0.0001434400000000 ] - [ -0.0004628800000000, -0.0028819400000000, 0.0001272500000000 ] - [ -0.0008644800000000, 0.0005876400000000, 0.0002534600000000 ] - [ 0.0006668200000000, -0.0000058900000000, -0.0002287500000000 ] - [ -0.0005859600000000, -0.0003634500000000, 0.0004622400000000 ] - [ 0.0004562200000000, -0.0000308100000000, -0.0000692100000000 ] - [ 0.0003149200000000, 0.0039226400000000, -0.0013254800000000 ] - [ 0.0033815200000000, -0.0003620800000000, 0.0008577600000000 ] - [ 0.0005853100000000, -0.0021116500000000, -0.0011268200000000 ] - [ 0.0004913800000000, 0.0002921300000000, 0.0001147200000000 ] - [ 0.0000980600000000, 0.0000627400000000, 0.0001635200000000 ] - [ 0.0000410500000000, -0.0000300700000000, -0.0004457100000000 ] - [ 0.0001608500000000, -0.0000811500000000, 0.0002380300000000 ] - [ -0.0001128100000000, 0.0000351400000000, -0.0000836100000000 ] - [ -0.0023056700000000, -0.0001838700000000, 0.0024691600000000 ] - [ 0.0008520200000000, 0.0001220600000000, -0.0002097400000000 ] - [ -0.0012280700000000, 0.0002320700000000, 0.0000169200000000 ] - [ 0.0007958300000000, -0.0002123600000000, -0.0002680700000000 ] - [ 0.2597020400000000, -0.1413316200000000, 0.0186308700000000 ] - [ -0.0036202300000000, 0.0006675200000000, 0.0000723900000000 ] - [ 0.0031957000000000, 0.0009277900000000, 0.0005513800000000 ] - [ -0.0017733500000000, 0.0009451000000000, -0.0000538600000000 ] - [ -0.0001624400000000, -0.0003769800000000, 0.0003327700000000 ] - [ -0.0003300100000000, -0.0002212100000000, -0.0011293900000000 ] - [ -0.0004067500000000, 0.0004951400000000, 0.0001786800000000 ] - [ -0.0001854700000000, 0.0000709800000000, -0.0003469000000000 ] - [ 0.0005736400000000, 0.0000836600000000, 0.0001199700000000 ] - [ -0.0005032000000000, -0.0002930700000000, 0.0000022000000000 ] - [ 0.0005544900000000, 0.0002521700000000, 0.0000478700000000 ] - [ -0.0003477800000000, -0.0000652400000000, -0.0000194900000000 ] - [ 0.0039456700000000, -0.0119930100000000, 0.0000840700000000 ] - [ -0.0025046700000000, -0.0002138900000000, 0.0002851700000000 ] - [ 0.0039071600000000, 0.0129494500000000, -0.0002137100000000 ] - [ -0.0024997900000000, -0.0015053200000000, 0.0003443100000000 ] - [ 0.0001643300000000, -0.0008116300000000, -0.0004787100000000 ] - [ -0.0016582500000000, 0.0010001500000000, 0.0012497100000000 ] - [ -0.0016549100000000, 0.0028124700000000, -0.0022261900000000 ] - [ 0.0001595600000000, -0.0006545200000000, 0.0002932100000000 ] - [ -0.0012093200000000, -0.0004079900000000, 0.0003357400000000 ] - [ -0.0002142900000000, 0.0115107400000000, 0.0144630100000000 ] - [ -0.0013120600000000, 0.0004934100000000, 0.0002662400000000 ] - [ 0.0021481000000000, -0.0007240500000000, -0.0004856400000000 ] - [ -0.0027247500000000, -0.0017273400000000, -0.0022493200000000 ] - [ -0.0009153400000000, -0.0012433400000000, 0.0019246500000000 ] - [ -0.0002924300000000, 0.0004303400000000, -0.0002878100000000 ] - [ 0.0000903400000000, 0.0008275900000000, 0.0002726000000000 ] - [ -0.0002867100000000, 0.0004078900000000, 0.0013219000000000 ] - [ -0.0002915300000000, -0.0004856600000000, -0.0005302100000000 ] - [ -0.0000948700000000, -0.0001206400000000, 0.0001336400000000 ] - [ -0.0000981900000000, 0.0002345100000000, -0.0004860300000000 ] - [ -0.0004841500000000, -0.0000900600000000, 0.0006623700000000 ] - [ 0.0004013400000000, -0.0001107300000000, -0.0010997200000000 ] - [ -0.0003032900000000, 0.0000508100000000, 0.0002929600000000 ] - [ 0.0003306200000000, 0.0000419100000000, -0.0007544400000000 ] - [ -0.0156430300000000, 0.0067818000000000, -0.0230705100000000 ] - [ -0.0018505000000000, -0.0005718400000000, 0.0009849900000000 ] - [ 0.0003050800000000, 0.0000744700000000, -0.0006401900000000 ] - [ -0.0007387100000000, 0.0003766000000000, 0.0001087200000000 ] - [ 0.0010522000000000, -0.0004861500000000, -0.0030007700000000 ] - [ -0.0011111100000000, -0.0000769500000000, 0.0007227100000000 ] - [ 0.0006834800000000, 0.0002468800000000, -0.0004056800000000 ] - [ -0.0007365100000000, 0.0004288300000000, 0.0003927800000000 ] - [ 0.0003295100000000, -0.0000731800000000, 0.0005766000000000 ] - [ -0.0004736900000000, -0.0000026800000000, -0.0007839700000000 ] - [ 0.0003543400000000, 0.0001296100000000, 0.0006890400000000 ] - [ -0.0003574800000000, -0.0000712600000000, -0.0005127200000000 ] - [ -0.0004268200000000, -0.0001149100000000, -0.0003020400000000 ] - [ 0.0003181300000000, -0.0001859400000000, 0.0001290200000000 ] - [ -0.0002672100000000, -0.0000619600000000, -0.0001490600000000 ] - [ 0.0001664100000000, 0.0001601600000000, 0.0002010900000000 ] - [ 0.0019689600000000, -0.0010248300000000, -0.0024281200000000 ] - [ -0.0016212400000000, -0.0001270700000000, 0.0006952500000000 ] - [ 0.0010676500000000, 0.0011291000000000, -0.0013764800000000 ] - [ -0.0006455500000000, 0.0000307900000000, 0.0001070000000000 ] - [ 0.0014607200000000, -0.0012486700000000, 0.0012010200000000 ] - [ -0.0012489200000000, 0.0000990200000000, -0.0008303600000000 ] - [ 0.0007554000000000, 0.0007112400000000, 0.0011952000000000 ] - [ -0.0007535800000000, -0.0001287900000000, -0.0002781300000000 ] - [ -0.0263486600000000, 0.0075062200000000, 0.0114614600000000 ] - [ -0.0060130300000000, -0.0013620400000000, -0.0006002700000000 ] - [ 0.0001012400000000, 0.0002055900000000, 0.0003612500000000 ] - [ -0.0016823900000000, 0.0010584700000000, 0.0002879300000000 ] - [ 0.0010256500000000, 0.0000428900000000, 0.0024593800000000 ] - [ -0.0008716700000000, -0.0004823000000000, -0.0004763900000000 ] - [ 0.0009797300000000, 0.0002343900000000, 0.0002025100000000 ] - [ -0.0010750100000000, 0.0001982900000000, -0.0005175200000000 ] - [ -0.0022983200000000, -0.0011974500000000, -0.0002042000000000 ] - [ -0.0039861400000000, 0.0226628300000000, -0.0084557600000000 ] - [ -0.0027296400000000, 0.0017282000000000, -0.0002776600000000 ] - [ 0.0026233600000000, -0.0033759900000000, 0.0000472200000000 ] - [ 0.0003243400000000, -0.0002977600000000, -0.0002554700000000 ] - [ -0.0002910900000000, -0.0000239600000000, 0.0002291500000000 ] - [ 0.0002818700000000, 0.0000571000000000, -0.0002963200000000 ] - [ -0.0001615500000000, -0.0000160800000000, 0.0000973400000000 ] - [ 0.0005690700000000, -0.0002153800000000, -0.0001451200000000 ] - [ -0.0005258600000000, 0.0001097800000000, 0.0000986000000000 ] - [ 0.0004263200000000, -0.0001475200000000, 0.0000171200000000 ] - [ -0.0004712800000000, 0.0001969900000000, 0.0000451900000000 ] - [ -0.0010814500000000, 0.0000995300000000, 0.0005624500000000 ] - [ 0.0008792400000000, 0.0002865600000000, -0.0002335100000000 ] - [ -0.0008426200000000, -0.0002740500000000, 0.0002989400000000 ] - [ 0.0006293000000000, -0.0000155200000000, -0.0000934500000000 ] - [ -0.0002060000000000, 0.0005687300000000, -0.0010110200000000 ] - [ 0.0010228400000000, -0.0002710900000000, 0.0015323700000000 ] - [ -0.0001548000000000, -0.0010589500000000, -0.0013881900000000 ] - [ 0.0006862800000000, 0.0005270700000000, 0.0006369200000000 ] - [ -0.0008910300000000, 0.0001709500000000, -0.0002098700000000 ] - [ 0.0009172400000000, -0.0000872200000000, 0.0003492700000000 ] - [ -0.0008474000000000, 0.0000734500000000, -0.0001692800000000 ] - [ 0.0006952700000000, -0.0000853900000000, 0.0002737200000000 ] - [ -0.0448671900000000, 0.0284130900000000, -0.0022228500000000 ] - [ 0.0044449400000000, 0.0004535600000000, 0.0002920400000000 ] - [ -0.0118286900000000, -0.0014011000000000, -0.0005025600000000 ] - [ 0.0038471700000000, -0.0008487000000000, 0.0005043800000000 ] - [ 0.0016596500000000, 0.0024815700000000, 0.0006436300000000 ] - [ 0.0027454700000000, 0.0014642900000000, -0.0094590200000000 ] - [ 0.0025384400000000, -0.0014446500000000, 0.0004484000000000 ] - [ -0.0011242000000000, -0.0002665300000000, -0.0004547200000000 ] - [ -0.1677894500000000, 0.0662223100000000, -0.0075839600000000 ] - [ 0.0067550900000000, 0.0016041600000000, -0.0019698800000000 ] - [ -0.0018216100000000, 0.0005975100000000, 0.0007008000000000 ] - [ 0.0030810200000000, -0.0006271300000000, -0.0006378500000000 ] - [ 0.0028492600000000, -0.0014225600000000, 0.0132235200000000 ] - [ 0.0019100500000000, 0.0014558500000000, -0.0022480600000000 ] - [ -0.0007838300000000, 0.0000580100000000, 0.0008393900000000 ] - [ 0.0011227200000000, -0.0017419000000000, -0.0007772100000000 ] - [ 0.0014048800000000, 0.0004861900000000, -0.0016230600000000 ] - [ 0.0001592400000000, 0.0005565500000000, 0.0020810400000000 ] - [ 0.0006719100000000, -0.0003988600000000, -0.0002813100000000 ] - [ -0.0000280000000000, -0.0004521700000000, 0.0012836800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000483600000000, 0.0001363000000000, 0.0002328100000000 ] - [ 0.0000530400000000, 0.0001695200000000, -0.0001516900000000 ] - [ -0.0000760600000000, -0.0001382900000000, -0.0000915400000000 ] - [ 0.0000259700000000, -0.0001638100000000, -0.0001511700000000 ] - [ -0.0000468300000000, 0.0016376200000000, -0.0020397400000000 ] - [ 0.0001781400000000, 0.0004399000000000, 0.0000553800000000 ] - [ -0.0002296100000000, -0.0010623600000000, 0.0003378300000000 ] - [ 0.0002852600000000, -0.0003932100000000, 0.0002394900000000 ] - [ -0.0005700300000000, 0.0006300100000000, 0.0001999900000000 ] - [ 0.0003289800000000, 0.0000297900000000, 0.0002202900000000 ] - [ -0.0000881000000000, -0.0008076100000000, -0.0003190700000000 ] - [ 0.0001664300000000, -0.0000566400000000, 0.0000011900000000 ] - [ 0.0016231400000000, -0.0001388000000000, -0.0004659500000000 ] - [ -0.0018329700000000, 0.0072940900000000, -0.0000579500000000 ] - [ -0.0002853300000000, -0.0001927600000000, 0.0000890900000000 ] - [ -0.0001198300000000, -0.0049903500000000, 0.0004613700000000 ] - [ -0.0007306100000000, 0.0005571000000000, -0.0002211600000000 ] - [ 0.0004955100000000, 0.0002514000000000, -0.0002838000000000 ] - [ -0.0000064400000000, -0.0004379700000000, 0.0003981600000000 ] - [ 0.0000618100000000, -0.0002010700000000, 0.0000928700000000 ] - [ -0.0026613700000000, 0.0026938900000000, 0.0014182700000000 ] - [ 0.0037025200000000, 0.0014750900000000, 0.0007458500000000 ] - [ 0.0025036700000000, -0.0022337700000000, -0.0023891500000000 ] - [ -0.0015345800000000, -0.0007599700000000, -0.0002750400000000 ] - [ 0.0000058900000000, 0.0000534200000000, -0.0000192500000000 ] - [ 0.0001595300000000, 0.0000089700000000, -0.0006082000000000 ] - [ 0.0000830600000000, -0.0000602600000000, 0.0000962000000000 ] - [ -0.0001172600000000, -0.0000129700000000, 0.0001315600000000 ] - [ -0.0013452900000000, 0.0001479800000000, 0.0038286600000000 ] - [ 0.0002971700000000, 0.0000800600000000, 0.0000579500000000 ] - [ -0.0002387300000000, -0.0008422900000000, -0.0022061100000000 ] - [ 0.0002019500000000, -0.0001109100000000, -0.0001710800000000 ] - [ 0.1376403800000000, -0.3289742800000000, -0.0130022100000000 ] - [ -0.0006111800000000, -0.0006157100000000, -0.0000516000000000 ] - [ -0.0008488900000000, 0.0101610900000000, 0.0001966200000000 ] - [ -0.0008880500000000, 0.0010652400000000, 0.0000220300000000 ] - [ 0.0003213700000000, -0.0005193200000000, -0.0000649700000000 ] - [ 0.0001657300000000, -0.0014074000000000, -0.0009602500000000 ] - [ -0.0005442000000000, 0.0005311800000000, 0.0001559500000000 ] - [ -0.0001194600000000, 0.0009764800000000, 0.0003569700000000 ] - [ 0.0001317200000000, -0.0002958100000000, 0.0002790400000000 ] - [ -0.0002378200000000, -0.0002431500000000, 0.0000694700000000 ] - [ 0.0003008700000000, 0.0003287500000000, 0.0000595400000000 ] - [ -0.0000128900000000, 0.0000983500000000, 0.0000719400000000 ] - [ 0.0126897600000000, 0.0295712000000000, 0.0006474600000000 ] - [ -0.0015531900000000, -0.0001788900000000, 0.0002022100000000 ] - [ -0.0122607400000000, 0.0300389400000000, 0.0006801600000000 ] - [ -0.0002589900000000, -0.0001836000000000, -0.0000039700000000 ] - [ 0.0007007000000000, -0.0006049800000000, 0.0002200000000000 ] - [ -0.0027397800000000, 0.0012045800000000, 0.0021690400000000 ] - [ -0.0009403100000000, 0.0011909000000000, -0.0011295300000000 ] - [ 0.0008599300000000, -0.0006156000000000, -0.0008091500000000 ] - [ -0.0002815400000000, -0.0005438600000000, 0.0003092700000000 ] - [ -0.0094500300000000, 0.0114397300000000, 0.0212490500000000 ] - [ -0.0005694900000000, 0.0005439300000000, -0.0002078000000000 ] - [ 0.0031978400000000, 0.0036185600000000, -0.0054078400000000 ] - [ -0.0017631000000000, -0.0013307100000000, -0.0014404500000000 ] - [ -0.0012834600000000, -0.0035432500000000, 0.0010139300000000 ] - [ 0.0003729900000000, 0.0007820100000000, 0.0000622600000000 ] - [ 0.0007711600000000, 0.0025792100000000, -0.0004790600000000 ] - [ -0.0004316300000000, -0.0002981900000000, 0.0005571300000000 ] - [ 0.0004534500000000, -0.0002946700000000, 0.0002150400000000 ] - [ 0.0002850800000000, 0.0003916600000000, -0.0002081900000000 ] - [ -0.0000697300000000, 0.0003895800000000, -0.0004885800000000 ] - [ -0.0001971500000000, -0.0001840200000000, 0.0003134400000000 ] - [ 0.0001731000000000, -0.0003854200000000, 0.0007155100000000 ] - [ -0.0000779700000000, 0.0001342700000000, 0.0000834000000000 ] - [ 0.0000568000000000, 0.0002287300000000, -0.0004076400000000 ] - [ -0.0090580700000000, -0.0040782900000000, -0.0104796200000000 ] - [ -0.0002875200000000, -0.0007435400000000, -0.0004744200000000 ] - [ 0.0012164300000000, 0.0032463700000000, 0.0023449300000000 ] - [ -0.0004883900000000, 0.0008199100000000, 0.0000415900000000 ] - [ 0.0004710300000000, -0.0006787700000000, -0.0017130300000000 ] - [ -0.0005295300000000, -0.0004120100000000, 0.0000335000000000 ] - [ 0.0002584400000000, 0.0006158200000000, 0.0003280000000000 ] - [ -0.0003676900000000, 0.0007582600000000, 0.0003254100000000 ] - [ 0.0001299800000000, -0.0000471000000000, -0.0002451200000000 ] - [ -0.0001934100000000, -0.0000531200000000, -0.0003785000000000 ] - [ 0.0000841200000000, 0.0000368400000000, 0.0007318600000000 ] - [ 0.0000286100000000, 0.0000379600000000, 0.0002041500000000 ] - [ -0.0001963300000000, -0.0001570700000000, -0.0001321900000000 ] - [ 0.0001206400000000, -0.0003476700000000, 0.0002221300000000 ] - [ -0.0000884400000000, 0.0000349100000000, 0.0000345100000000 ] - [ 0.0000240600000000, 0.0003283300000000, 0.0002606800000000 ] - [ 0.0014246900000000, -0.0021426200000000, 0.0030996400000000 ] - [ -0.0004546800000000, -0.0003517900000000, 0.0003660600000000 ] - [ 0.0003469700000000, 0.0021328800000000, -0.0015393300000000 ] - [ -0.0001331200000000, 0.0002493300000000, -0.0001111400000000 ] - [ 0.0012862700000000, -0.0010459600000000, -0.0011812500000000 ] - [ -0.0008004300000000, -0.0003673800000000, -0.0006793700000000 ] - [ -0.0006509300000000, 0.0009102800000000, 0.0017131200000000 ] - [ 0.0000698800000000, 0.0002409600000000, 0.0001697600000000 ] - [ -0.0096693100000000, -0.0071750300000000, 0.0028945400000000 ] - [ 0.0000554100000000, -0.0022775500000000, 0.0001040700000000 ] - [ 0.0014282000000000, 0.0053248400000000, -0.0010254700000000 ] - [ -0.0010120400000000, 0.0024678700000000, 0.0000249900000000 ] - [ 0.0004754500000000, -0.0002154400000000, 0.0033463600000000 ] - [ -0.0002773900000000, -0.0003868400000000, -0.0000687700000000 ] - [ 0.0004558400000000, 0.0003253700000000, -0.0011749800000000 ] - [ -0.0004346000000000, 0.0003093100000000, -0.0003320100000000 ] - [ -0.0002051000000000, -0.0009500500000000, -0.0001917800000000 ] - [ -0.0130407500000000, 0.0195064800000000, -0.0089559900000000 ] - [ -0.0014121800000000, 0.0009814300000000, 0.0001255700000000 ] - [ 0.0047137000000000, 0.0066757600000000, 0.0029113100000000 ] - [ 0.0001839000000000, -0.0002638600000000, -0.0000305600000000 ] - [ -0.0002134500000000, -0.0001352400000000, 0.0003090200000000 ] - [ 0.0000891300000000, 0.0001164000000000, -0.0000390700000000 ] - [ 0.0000240700000000, 0.0000541300000000, 0.0000534700000000 ] - [ 0.0001635700000000, -0.0001802000000000, 0.0000686300000000 ] - [ -0.0001604700000000, -0.0000733800000000, 0.0001244100000000 ] - [ 0.0000930800000000, 0.0000596000000000, 0.0000893800000000 ] - [ -0.0002464000000000, 0.0001591300000000, 0.0000930400000000 ] - [ -0.0001902700000000, 0.0005516000000000, -0.0003752100000000 ] - [ 0.0002934600000000, 0.0003553800000000, -0.0001352000000000 ] - [ -0.0004071800000000, -0.0005007500000000, -0.0000236000000000 ] - [ 0.0001948300000000, -0.0002211700000000, -0.0001124200000000 ] - [ -0.0009402300000000, -0.0000376300000000, 0.0006216400000000 ] - [ 0.0004968200000000, 0.0000511200000000, 0.0013854600000000 ] - [ 0.0008861300000000, -0.0001256400000000, -0.0013899700000000 ] - [ -0.0002440800000000, -0.0001918800000000, -0.0005644200000000 ] - [ -0.0001929600000000, 0.0000921200000000, -0.0000441000000000 ] - [ 0.0005195400000000, -0.0000404300000000, 0.0000210000000000 ] - [ -0.0003497000000000, -0.0000165100000000, -0.0003269400000000 ] - [ 0.0000910600000000, 0.0000013600000000, -0.0001783200000000 ] - [ -0.0334683000000000, 0.1859059600000000, 0.0092944900000000 ] - [ 0.0013883700000000, 0.0016423800000000, -0.0001130800000000 ] - [ -0.0114572900000000, -0.0185624400000000, 0.0026828800000000 ] - [ 0.0013431500000000, -0.0015754100000000, 0.0003495300000000 ] - [ 0.0002346600000000, 0.0021934900000000, -0.0000453300000000 ] - [ 0.0053042400000000, 0.0056737500000000, -0.0139889600000000 ] - [ 0.0011936700000000, -0.0015884800000000, 0.0006487600000000 ] - [ -0.0026405900000000, -0.0022779000000000, 0.0050296100000000 ] - [ -0.0616612500000000, 0.0672800300000000, -0.0019535100000000 ] - [ 0.0003009700000000, 0.0011009400000000, 0.0001422200000000 ] - [ -0.0015102900000000, -0.0181207000000000, -0.0012282600000000 ] - [ 0.0022269200000000, -0.0013611800000000, -0.0002667500000000 ] - [ 0.0021094000000000, -0.0007296200000000, 0.0074770600000000 ] - [ 0.0009323200000000, 0.0020988500000000, 0.0006266700000000 ] - [ -0.0014372600000000, -0.0005321700000000, -0.0016314800000000 ] - [ 0.0005922800000000, -0.0032310700000000, -0.0007685000000000 ] - [ 0.0005872700000000, 0.0008996700000000, -0.0006810000000000 ] - [ -0.0013970800000000, 0.0024224800000000, -0.0008956900000000 ] - [ 0.0001140800000000, -0.0008143500000000, 0.0000503400000000 ] - [ 0.0005453700000000, -0.0017086200000000, 0.0009812300000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000561400000000, -0.0001335200000000, -0.0002997400000000 ] - [ -0.0000631400000000, -0.0001717200000000, 0.0000881500000000 ] - [ 0.0000686300000000, 0.0001366200000000, 0.0000278900000000 ] - [ -0.0000345200000000, 0.0001639100000000, 0.0000820100000000 ] - [ 0.0000604000000000, -0.0016360500000000, 0.0021414300000000 ] - [ -0.0001750700000000, -0.0004335400000000, 0.0000086300000000 ] - [ 0.0002456600000000, 0.0010665500000000, -0.0002792600000000 ] - [ -0.0002806100000000, 0.0004012900000000, -0.0001775500000000 ] - [ 0.0005680600000000, -0.0006268100000000, -0.0001367000000000 ] - [ -0.0003420300000000, -0.0000287500000000, -0.0001573900000000 ] - [ 0.0000797100000000, 0.0008132600000000, 0.0003980700000000 ] - [ -0.0001771300000000, 0.0000513600000000, 0.0000645300000000 ] - [ -0.0016519700000000, 0.0001391800000000, 0.0004042100000000 ] - [ 0.0019368400000000, -0.0072872600000000, 0.0000659000000000 ] - [ 0.0003075300000000, 0.0001897800000000, -0.0001608100000000 ] - [ 0.0001242700000000, 0.0049955600000000, -0.0005331400000000 ] - [ 0.0007446900000000, -0.0005641100000000, 0.0002854700000000 ] - [ -0.0004906700000000, -0.0002578900000000, 0.0003495300000000 ] - [ 0.0000182900000000, 0.0004379100000000, -0.0003365400000000 ] - [ -0.0000517800000000, 0.0002032200000000, -0.0000212000000000 ] - [ 0.0026682800000000, -0.0027538400000000, -0.0014929800000000 ] - [ -0.0037295300000000, -0.0014897400000000, -0.0008158200000000 ] - [ -0.0025041800000000, 0.0022590100000000, 0.0023074100000000 ] - [ 0.0015185900000000, 0.0007646300000000, 0.0002101100000000 ] - [ -0.0000001400000000, -0.0000544400000000, -0.0000445700000000 ] - [ -0.0001440000000000, -0.0000092100000000, 0.0005403000000000 ] - [ -0.0000757800000000, 0.0000627100000000, -0.0001594500000000 ] - [ 0.0001245000000000, 0.0000174900000000, -0.0001947800000000 ] - [ 0.0013455100000000, -0.0001585000000000, -0.0037822100000000 ] - [ -0.0003109300000000, -0.0000815900000000, 0.0000125300000000 ] - [ 0.0002325100000000, 0.0008597900000000, 0.0022637700000000 ] - [ -0.0002135000000000, 0.0001194400000000, 0.0002403200000000 ] - [ -0.1384273900000000, 0.3425111900000000, 0.0146295600000000 ] - [ 0.0006996100000000, 0.0006485900000000, 0.0001787300000000 ] - [ 0.0009409000000000, -0.0101591000000000, -0.0000723300000000 ] - [ 0.0009686200000000, -0.0010498800000000, 0.0001013600000000 ] - [ -0.0003980800000000, 0.0004977100000000, -0.0000613900000000 ] - [ -0.0002479900000000, 0.0013929300000000, 0.0008402100000000 ] - [ 0.0004697200000000, -0.0005637200000000, -0.0002802700000000 ] - [ 0.0000464700000000, -0.0010106100000000, -0.0004782600000000 ] - [ -0.0000619600000000, 0.0002730800000000, -0.0001586100000000 ] - [ 0.0003183800000000, 0.0002181700000000, 0.0000545800000000 ] - [ -0.0002299600000000, -0.0003592800000000, 0.0000631600000000 ] - [ 0.0000903500000000, -0.0001259700000000, 0.0000525300000000 ] - [ -0.0130176400000000, -0.0300261700000000, -0.0005250000000000 ] - [ 0.0014911100000000, 0.0002127300000000, -0.0000791300000000 ] - [ 0.0118595900000000, -0.0295603400000000, -0.0005507000000000 ] - [ 0.0001893900000000, 0.0002080000000000, 0.0001289600000000 ] - [ -0.0006355300000000, 0.0006465400000000, -0.0003475400000000 ] - [ 0.0028338000000000, -0.0011818900000000, -0.0023081700000000 ] - [ 0.0010260600000000, -0.0011962300000000, 0.0010249700000000 ] - [ -0.0007820200000000, 0.0006363200000000, 0.0006849600000000 ] - [ 0.0002843200000000, 0.0005947600000000, -0.0003107400000000 ] - [ 0.0095757800000000, -0.0115470600000000, -0.0215257300000000 ] - [ 0.0005726300000000, -0.0005070700000000, 0.0002075800000000 ] - [ -0.0031868500000000, -0.0035682600000000, 0.0053822100000000 ] - [ 0.0017079400000000, 0.0013770200000000, 0.0013341700000000 ] - [ 0.0012108800000000, 0.0035914600000000, -0.0011425100000000 ] - [ -0.0004541600000000, -0.0007654100000000, -0.0001901800000000 ] - [ -0.0008467100000000, -0.0025570100000000, 0.0003476300000000 ] - [ 0.0005103500000000, 0.0002639300000000, -0.0006928700000000 ] - [ -0.0003882300000000, 0.0002670400000000, -0.0003399000000000 ] - [ -0.0002118400000000, -0.0004145300000000, 0.0000867800000000 ] - [ 0.0001461600000000, -0.0004165900000000, 0.0003704300000000 ] - [ 0.0001998500000000, 0.0001415800000000, -0.0003189300000000 ] - [ -0.0001753300000000, 0.0003450900000000, -0.0007249500000000 ] - [ 0.0000786200000000, -0.0001787400000000, -0.0000835300000000 ] - [ -0.0000584200000000, -0.0002733800000000, 0.0004137000000000 ] - [ 0.0091994400000000, 0.0040170400000000, 0.0106706900000000 ] - [ 0.0002896300000000, 0.0007881900000000, 0.0004796400000000 ] - [ -0.0012385300000000, -0.0032221500000000, -0.0023889600000000 ] - [ 0.0004948900000000, -0.0007790300000000, -0.0000420300000000 ] - [ -0.0005415000000000, 0.0007892200000000, 0.0016923400000000 ] - [ 0.0004651500000000, 0.0005201000000000, -0.0000785800000000 ] - [ -0.0003287200000000, -0.0005086600000000, -0.0003849700000000 ] - [ 0.0002983700000000, -0.0006536200000000, -0.0003705500000000 ] - [ -0.0001322100000000, 0.0000050800000000, 0.0002424700000000 ] - [ 0.0001951600000000, 0.0000109100000000, 0.0003820000000000 ] - [ -0.0000871400000000, -0.0000831500000000, -0.0007355600000000 ] - [ -0.0000269800000000, -0.0000829700000000, -0.0002045000000000 ] - [ 0.0001246700000000, 0.0000522200000000, 0.0001779100000000 ] - [ -0.0001931100000000, 0.0002420300000000, -0.0001783800000000 ] - [ 0.0000232200000000, -0.0001386000000000, 0.0000088000000000 ] - [ -0.0000986200000000, -0.0004362900000000, -0.0002159100000000 ] - [ -0.0013796200000000, 0.0020256800000000, -0.0031888300000000 ] - [ 0.0005394900000000, 0.0002479000000000, -0.0004176600000000 ] - [ -0.0002769000000000, -0.0022446900000000, 0.0015118300000000 ] - [ 0.0002061100000000, -0.0003569700000000, 0.0000723600000000 ] - [ -0.0013603600000000, 0.0009621000000000, 0.0011389600000000 ] - [ 0.0007354600000000, 0.0002629800000000, 0.0006372200000000 ] - [ 0.0005745500000000, -0.0010299600000000, -0.0017545400000000 ] - [ -0.0001360800000000, -0.0003522300000000, -0.0002139200000000 ] - [ 0.0099666100000000, 0.0071617100000000, -0.0029347900000000 ] - [ 0.0000059500000000, 0.0023866800000000, -0.0000655400000000 ] - [ -0.0013832100000000, -0.0052481900000000, 0.0010927500000000 ] - [ 0.0010969300000000, -0.0023715000000000, 0.0000186600000000 ] - [ -0.0004119500000000, 0.0003230600000000, -0.0034161800000000 ] - [ 0.0003552800000000, 0.0005014100000000, 0.0000247600000000 ] - [ -0.0003874900000000, -0.0002285800000000, 0.0011254300000000 ] - [ 0.0005148000000000, -0.0002088800000000, 0.0002912800000000 ] - [ 0.0001331600000000, 0.0010757400000000, 0.0002359500000000 ] - [ 0.0132192300000000, -0.0196854400000000, 0.0092043800000000 ] - [ 0.0013543000000000, -0.0008987100000000, -0.0000760000000000 ] - [ -0.0047458100000000, -0.0065341500000000, -0.0028322800000000 ] - [ -0.0001199000000000, 0.0001588600000000, 0.0000774200000000 ] - [ 0.0002883700000000, 0.0000296300000000, -0.0002704000000000 ] - [ -0.0000230800000000, -0.0002229600000000, 0.0000817700000000 ] - [ 0.0000488700000000, -0.0001634500000000, -0.0000146500000000 ] - [ -0.0002397100000000, 0.0001548100000000, 0.0000538800000000 ] - [ 0.0000872900000000, 0.0000446300000000, -0.0000014400000000 ] - [ -0.0001728300000000, -0.0000858600000000, 0.0000336500000000 ] - [ 0.0001741400000000, -0.0001866000000000, 0.0000295200000000 ] - [ 0.0001277200000000, -0.0005116200000000, 0.0003305300000000 ] - [ -0.0003619100000000, -0.0003089800000000, 0.0000883600000000 ] - [ 0.0003481100000000, 0.0005508300000000, -0.0000283700000000 ] - [ -0.0002611700000000, 0.0002675700000000, 0.0000629400000000 ] - [ 0.0008804400000000, 0.0000740400000000, -0.0005686800000000 ] - [ -0.0005635200000000, -0.0000115300000000, -0.0013452300000000 ] - [ -0.0009458600000000, 0.0001900900000000, 0.0014456200000000 ] - [ 0.0001765700000000, 0.0002456300000000, 0.0006122700000000 ] - [ 0.0002640800000000, -0.0000470300000000, -0.0000047700000000 ] - [ -0.0004647500000000, 0.0000870800000000, -0.0000705800000000 ] - [ 0.0004184200000000, 0.0000651900000000, 0.0002787100000000 ] - [ -0.0000315300000000, 0.0000488100000000, 0.0001329300000000 ] - [ 0.0365422000000000, -0.1993529100000000, -0.0106304500000000 ] - [ -0.0014671500000000, -0.0017122300000000, 0.0000635100000000 ] - [ 0.0113636200000000, 0.0185048700000000, -0.0027305500000000 ] - [ -0.0014191900000000, 0.0015485500000000, -0.0004050700000000 ] - [ -0.0001732200000000, -0.0022722500000000, 0.0000931700000000 ] - [ -0.0052646600000000, -0.0057685400000000, 0.0141181400000000 ] - [ -0.0011425800000000, 0.0015629100000000, -0.0006002600000000 ] - [ 0.0027032400000000, 0.0022385200000000, -0.0049614100000000 ] - [ 0.0592192100000000, -0.0667258700000000, 0.0016243700000000 ] - [ -0.0002468600000000, -0.0011433700000000, -0.0001988300000000 ] - [ 0.0015914000000000, 0.0181471900000000, 0.0011910200000000 ] - [ -0.0021854600000000, 0.0013137300000000, 0.0002187400000000 ] - [ -0.0021968400000000, 0.0006996100000000, -0.0075417000000000 ] - [ -0.0010020600000000, -0.0021404000000000, -0.0005822800000000 ] - [ 0.0013941000000000, 0.0004806700000000, 0.0017177300000000 ] - [ -0.0006649800000000, 0.0031977200000000, 0.0008237000000000 ] - [ -0.0005319700000000, -0.0008599100000000, 0.0007449800000000 ] - [ 0.0014851200000000, -0.0023974300000000, 0.0009657900000000 ] - [ -0.0000514500000000, 0.0008676400000000, -0.0000063000000000 ] - [ -0.0004871500000000, 0.0017644600000000, -0.0009449500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001503800000000, -0.0000051400000000, -0.0007836900000000 ] - [ 0.0000473600000000, 0.0000495000000000, -0.0005602300000000 ] - [ -0.0000413000000000, 0.0000041500000000, -0.0003995700000000 ] - [ 0.0000398000000000, -0.0000443700000000, -0.0004212000000000 ] - [ 0.0020284000000000, -0.0003903300000000, -0.0027826600000000 ] - [ -0.0002697000000000, 0.0000061300000000, 0.0000832500000000 ] - [ 0.0002272800000000, 0.0000716200000000, 0.0002819600000000 ] - [ -0.0001498400000000, 0.0000340500000000, 0.0000774100000000 ] - [ 0.0002266300000000, 0.0003528500000000, -0.0010070800000000 ] - [ -0.0001696900000000, 0.0001333900000000, -0.0003961800000000 ] - [ -0.0000615500000000, -0.0003869500000000, -0.0004742900000000 ] - [ 0.0000316400000000, -0.0000512600000000, -0.0002067300000000 ] - [ 0.0011767500000000, -0.0003376700000000, 0.0001059500000000 ] - [ 0.0008969600000000, 0.0008469600000000, 0.0059476800000000 ] - [ -0.0000524600000000, 0.0000843100000000, 0.0002087400000000 ] - [ 0.0002508700000000, 0.0012429000000000, 0.0001812600000000 ] - [ -0.0003942700000000, -0.0003683100000000, -0.0007148700000000 ] - [ 0.0002183700000000, 0.0000224700000000, -0.0004131900000000 ] - [ 0.0000472900000000, 0.0002812900000000, -0.0004521500000000 ] - [ 0.0000285200000000, 0.0000374800000000, -0.0002445000000000 ] - [ 0.0007906100000000, 0.0015550100000000, 0.0005561500000000 ] - [ -0.0014462100000000, -0.0001813700000000, 0.0002349200000000 ] - [ -0.0000536800000000, -0.0006265600000000, 0.0004106000000000 ] - [ -0.0003231000000000, -0.0001006500000000, 0.0002478700000000 ] - [ -0.0000343600000000, -0.0000542100000000, -0.0004213900000000 ] - [ 0.0001564400000000, -0.0000362000000000, -0.0008037500000000 ] - [ -0.0000608400000000, 0.0000562400000000, -0.0004353600000000 ] - [ 0.0000674700000000, 0.0000117100000000, -0.0005084600000000 ] - [ 0.0002067600000000, 0.0013608400000000, -0.0013332500000000 ] - [ -0.0000512000000000, 0.0001272700000000, 0.0001250500000000 ] - [ 0.0000671100000000, -0.0012516100000000, -0.0000582400000000 ] - [ -0.0000303800000000, -0.0001227800000000, 0.0001107800000000 ] - [ -0.0186478800000000, -0.0141292900000000, -0.0727281200000000 ] - [ 0.0000300800000000, -0.0001025700000000, -0.0008789400000000 ] - [ -0.0004560100000000, 0.0001519100000000, -0.0009578800000000 ] - [ 0.0001530900000000, -0.0000281700000000, -0.0005815700000000 ] - [ -0.0004336000000000, -0.0000146600000000, 0.0003540100000000 ] - [ 0.0010274800000000, -0.0009191200000000, 0.0008881800000000 ] - [ -0.0002795100000000, 0.0002050400000000, 0.0001603700000000 ] - [ 0.0002456300000000, 0.0004081400000000, 0.0003205900000000 ] - [ -0.0000235800000000, -0.0002323900000000, 0.0008590600000000 ] - [ 0.0001003200000000, -0.0000208200000000, 0.0005586400000000 ] - [ 0.0000511500000000, -0.0000107600000000, 0.0006026900000000 ] - [ 0.0001209800000000, -0.0000219000000000, 0.0004879300000000 ] - [ -0.0003084100000000, 0.0006700300000000, -0.0053623400000000 ] - [ 0.0002442600000000, -0.0000541400000000, -0.0007418800000000 ] - [ -0.0000252800000000, 0.0006037200000000, -0.0053693800000000 ] - [ 0.0001865300000000, 0.0001564000000000, -0.0007418900000000 ] - [ 0.0003934700000000, 0.0007587300000000, -0.0000719100000000 ] - [ -0.0021175200000000, 0.0010883100000000, 0.0011242300000000 ] - [ 0.0013397400000000, -0.0022231500000000, 0.0011252800000000 ] - [ -0.0003808100000000, -0.0002700600000000, -0.0000727000000000 ] - [ 0.0006455200000000, 0.0002454800000000, -0.0015859500000000 ] - [ -0.0085822200000000, 0.0152011100000000, 0.0084935800000000 ] - [ 0.0006615400000000, -0.0002079700000000, -0.0014175200000000 ] - [ -0.0000397300000000, -0.0014062100000000, -0.0014283100000000 ] - [ 0.0021384500000000, 0.0013988400000000, 0.0014125300000000 ] - [ -0.0020193900000000, -0.0010674000000000, 0.0013491400000000 ] - [ 0.0001895300000000, -0.0001135800000000, -0.0002185400000000 ] - [ -0.0003742800000000, 0.0004264500000000, 0.0000540900000000 ] - [ -0.0004307300000000, 0.0002642600000000, 0.0005719800000000 ] - [ 0.0014211200000000, 0.0006154100000000, 0.0005761100000000 ] - [ -0.0003870300000000, -0.0004438400000000, 0.0002645200000000 ] - [ 0.0002338200000000, -0.0001615900000000, 0.0002648700000000 ] - [ -0.0002962200000000, -0.0000145500000000, 0.0011460600000000 ] - [ -0.0002576200000000, -0.0002038200000000, 0.0030919000000000 ] - [ -0.0002371600000000, -0.0000239900000000, 0.0008414500000000 ] - [ -0.0002713700000000, -0.0000218600000000, 0.0012739400000000 ] - [ 0.0198606000000000, -0.0067095300000000, 0.0118545100000000 ] - [ -0.0010515200000000, -0.0001911000000000, -0.0019523600000000 ] - [ -0.0002482600000000, -0.0000098500000000, -0.0013614500000000 ] - [ -0.0006186400000000, 0.0002365200000000, -0.0015913700000000 ] - [ 0.0002217600000000, -0.0000010200000000, 0.0020722700000000 ] - [ -0.0006481800000000, -0.0001205900000000, 0.0003630100000000 ] - [ 0.0001227200000000, 0.0001951600000000, 0.0001926000000000 ] - [ -0.0003796800000000, 0.0003961300000000, 0.0002424200000000 ] - [ 0.0001409600000000, -0.0001245100000000, 0.0014951400000000 ] - [ 0.0004874700000000, -0.0001035300000000, 0.0013330400000000 ] - [ 0.0001612200000000, 0.0000735100000000, 0.0011595900000000 ] - [ 0.0003968300000000, 0.0001213100000000, 0.0011646500000000 ] - [ 0.0001988600000000, -0.0000161100000000, 0.0008170400000000 ] - [ 0.0000306300000000, -0.0000488300000000, 0.0012691300000000 ] - [ 0.0000906000000000, 0.0000236200000000, 0.0005772000000000 ] - [ 0.0000459700000000, 0.0001528000000000, 0.0008810500000000 ] - [ 0.0023825000000000, 0.0012888300000000, 0.0071610100000000 ] - [ -0.0001671700000000, 0.0000088100000000, 0.0002546900000000 ] - [ -0.0000534000000000, -0.0005479800000000, 0.0005064600000000 ] - [ 0.0000650600000000, -0.0001047100000000, -0.0000079900000000 ] - [ -0.0011858300000000, -0.0011988800000000, 0.0012293800000000 ] - [ 0.0004687900000000, -0.0002102100000000, 0.0001970100000000 ] - [ -0.0005223300000000, 0.0005500400000000, 0.0001875800000000 ] - [ 0.0002389500000000, 0.0001614200000000, -0.0000040000000000 ] - [ -0.0157008700000000, 0.0031798800000000, -0.0027062800000000 ] - [ 0.0017790000000000, 0.0004248800000000, -0.0013750000000000 ] - [ 0.0003464200000000, 0.0004116300000000, -0.0007434000000000 ] - [ 0.0008941200000000, -0.0004020700000000, -0.0007680600000000 ] - [ 0.0001431300000000, 0.0004439500000000, 0.0020938300000000 ] - [ 0.0002946000000000, 0.0004645700000000, 0.0002583400000000 ] - [ -0.0001176000000000, -0.0002640200000000, 0.0004772800000000 ] - [ 0.0004452700000000, -0.0001241000000000, 0.0002307300000000 ] - [ -0.0004741700000000, -0.0004188200000000, -0.0007206400000000 ] - [ 0.0072628800000000, -0.0129424700000000, -0.0025174200000000 ] - [ -0.0004861200000000, 0.0006782900000000, -0.0006946400000000 ] - [ 0.0001186600000000, 0.0021872200000000, -0.0016391000000000 ] - [ -0.0000222800000000, 0.0001601800000000, 0.0009653500000000 ] - [ -0.0001797000000000, 0.0000137800000000, 0.0008707100000000 ] - [ -0.0000848300000000, -0.0000644600000000, 0.0008314600000000 ] - [ -0.0000904700000000, -0.0000002400000000, 0.0006803800000000 ] - [ -0.0002451600000000, -0.0000183400000000, 0.0008181200000000 ] - [ -0.0000013900000000, -0.0000760800000000, 0.0005631600000000 ] - [ -0.0000841300000000, -0.0000416000000000, 0.0005943000000000 ] - [ -0.0000535100000000, -0.0000451700000000, 0.0005107100000000 ] - [ 0.0004490700000000, 0.0002150700000000, -0.0026112400000000 ] - [ -0.0001197600000000, 0.0000273500000000, -0.0014169800000000 ] - [ -0.0000196900000000, 0.0000039000000000, -0.0015567900000000 ] - [ -0.0000656100000000, 0.0000228600000000, -0.0011048900000000 ] - [ 0.0008349600000000, 0.0006306500000000, -0.0017987200000000 ] - [ -0.0012850700000000, 0.0005531500000000, -0.0012347400000000 ] - [ 0.0003861800000000, -0.0006585300000000, -0.0012049100000000 ] - [ -0.0009202100000000, -0.0010089700000000, -0.0009107200000000 ] - [ 0.0000487900000000, 0.0000712800000000, -0.0017539300000000 ] - [ -0.0000164100000000, 0.0000428200000000, -0.0015455300000000 ] - [ 0.0001074900000000, -0.0000008600000000, -0.0015545100000000 ] - [ -0.0000981200000000, 0.0000543400000000, -0.0013932700000000 ] - [ 0.0010517500000000, 0.0115088100000000, 0.0355114600000000 ] - [ -0.0001491900000000, 0.0002241800000000, 0.0021805300000000 ] - [ 0.0005627100000000, 0.0003473800000000, 0.0046032500000000 ] - [ -0.0002306000000000, -0.0000491200000000, 0.0019244200000000 ] - [ -0.0012640000000000, -0.0018476700000000, 0.0007390600000000 ] - [ 0.0037264200000000, 0.0009350500000000, -0.0085210300000000 ] - [ -0.0017133100000000, 0.0009071400000000, 0.0007645000000000 ] - [ 0.0003512600000000, 0.0003163500000000, -0.0002169000000000 ] - [ 0.0084156700000000, -0.0033521200000000, 0.0330030900000000 ] - [ -0.0001681000000000, -0.0002757900000000, 0.0032288900000000 ] - [ 0.0000991200000000, -0.0005703400000000, 0.0010486400000000 ] - [ -0.0003510100000000, 0.0001437800000000, 0.0023120200000000 ] - [ -0.0026585300000000, 0.0016760400000000, -0.0087342000000000 ] - [ 0.0026610700000000, 0.0011375100000000, 0.0005719500000000 ] - [ -0.0001072500000000, -0.0007169300000000, 0.0006619100000000 ] - [ 0.0014676800000000, -0.0017740800000000, 0.0006367900000000 ] - [ 0.0006763800000000, 0.0000135400000000, -0.0011948000000000 ] - [ -0.0027818800000000, 0.0013240000000000, -0.0041835200000000 ] - [ 0.0004579900000000, -0.0000319900000000, -0.0005851200000000 ] - [ 0.0000367600000000, -0.0000798800000000, -0.0012542100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001423800000000, 0.0000077600000000, 0.0007211800000000 ] - [ -0.0000579600000000, -0.0000512600000000, 0.0004955900000000 ] - [ 0.0000350000000000, -0.0000052100000000, 0.0003311800000000 ] - [ -0.0000472600000000, 0.0000427200000000, 0.0003488300000000 ] - [ -0.0019879800000000, 0.0003842200000000, 0.0028341100000000 ] - [ 0.0002718700000000, 0.0000029000000000, -0.0000188500000000 ] - [ -0.0002091000000000, -0.0000721300000000, -0.0002134600000000 ] - [ 0.0001563900000000, -0.0000276400000000, -0.0000120700000000 ] - [ -0.0002336900000000, -0.0003512800000000, 0.0010739900000000 ] - [ 0.0001610800000000, -0.0001323000000000, 0.0004612100000000 ] - [ 0.0000557400000000, 0.0003911200000000, 0.0005475100000000 ] - [ -0.0000443400000000, 0.0000492800000000, 0.0002696800000000 ] - [ -0.0011852800000000, 0.0003342800000000, -0.0001699800000000 ] - [ -0.0006339600000000, -0.0007107700000000, -0.0058292900000000 ] - [ 0.0000625800000000, -0.0000859800000000, -0.0002712700000000 ] - [ -0.0002390500000000, -0.0012566300000000, -0.0002417900000000 ] - [ 0.0004047700000000, 0.0003696300000000, 0.0007782600000000 ] - [ -0.0002093100000000, -0.0000250700000000, 0.0004776100000000 ] - [ -0.0000388200000000, -0.0002874600000000, 0.0005153400000000 ] - [ -0.0000162600000000, -0.0000360500000000, 0.0003146900000000 ] - [ -0.0007967300000000, -0.0015655300000000, -0.0006118700000000 ] - [ 0.0014444300000000, 0.0001858600000000, -0.0002991600000000 ] - [ 0.0000381300000000, 0.0006313500000000, -0.0004717500000000 ] - [ 0.0003128800000000, 0.0000973700000000, -0.0003098200000000 ] - [ 0.0000415800000000, 0.0000533300000000, 0.0003578600000000 ] - [ -0.0001410600000000, 0.0000376900000000, 0.0007346500000000 ] - [ 0.0000695900000000, -0.0000565200000000, 0.0003736600000000 ] - [ -0.0000599100000000, -0.0000079300000000, 0.0004454200000000 ] - [ -0.0002188100000000, -0.0013444100000000, 0.0014009600000000 ] - [ 0.0000423300000000, -0.0001257900000000, -0.0000572500000000 ] - [ -0.0000716600000000, 0.0012492000000000, 0.0001238300000000 ] - [ 0.0000205500000000, 0.0001263600000000, -0.0000433600000000 ] - [ 0.0178826200000000, 0.0134771500000000, 0.0722282200000000 ] - [ 0.0000520600000000, 0.0001287700000000, 0.0010084400000000 ] - [ 0.0005203000000000, -0.0001154300000000, 0.0010870000000000 ] - [ -0.0000785300000000, 0.0000524400000000, 0.0007098900000000 ] - [ 0.0003567200000000, -0.0000118900000000, -0.0004812800000000 ] - [ -0.0010987100000000, 0.0008807800000000, -0.0010158100000000 ] - [ 0.0002034600000000, -0.0002324600000000, -0.0002889600000000 ] - [ -0.0003207600000000, -0.0004280700000000, -0.0004482200000000 ] - [ 0.0000927800000000, 0.0002042100000000, -0.0007314100000000 ] - [ -0.0000219900000000, -0.0000068600000000, -0.0004298600000000 ] - [ 0.0000212600000000, -0.0000159700000000, -0.0004755900000000 ] - [ -0.0000436700000000, -0.0000042100000000, -0.0003592700000000 ] - [ 0.0002439600000000, -0.0005588800000000, 0.0054965100000000 ] - [ -0.0003194700000000, 0.0000802300000000, 0.0008714300000000 ] - [ -0.0000598600000000, -0.0005688900000000, 0.0054894600000000 ] - [ -0.0002577600000000, -0.0001245300000000, 0.0008709400000000 ] - [ -0.0003191700000000, -0.0007343600000000, -0.0000514400000000 ] - [ 0.0021944000000000, -0.0010644000000000, -0.0012521900000000 ] - [ -0.0012684900000000, 0.0022541200000000, -0.0012508400000000 ] - [ 0.0004528700000000, 0.0002978200000000, -0.0000522100000000 ] - [ -0.0006450300000000, -0.0002056700000000, 0.0015886900000000 ] - [ 0.0086785700000000, -0.0153465000000000, -0.0085596000000000 ] - [ -0.0006617200000000, 0.0002508800000000, 0.0014206500000000 ] - [ 0.0000338300000000, 0.0014580100000000, 0.0014368200000000 ] - [ -0.0022188700000000, -0.0013745900000000, -0.0015429900000000 ] - [ 0.0019507000000000, 0.0010904900000000, -0.0014839900000000 ] - [ -0.0002618600000000, 0.0001396800000000, 0.0000939400000000 ] - [ 0.0002961100000000, -0.0003994800000000, -0.0001824200000000 ] - [ 0.0005056400000000, -0.0002923700000000, -0.0007031900000000 ] - [ -0.0013375100000000, -0.0006364600000000, -0.0006988200000000 ] - [ 0.0004588700000000, 0.0004150400000000, -0.0003924500000000 ] - [ -0.0001617700000000, 0.0001329200000000, -0.0003917200000000 ] - [ 0.0002968900000000, -0.0000266000000000, -0.0011477400000000 ] - [ 0.0002573900000000, 0.0001597600000000, -0.0030732800000000 ] - [ 0.0002377700000000, -0.0000177100000000, -0.0008428400000000 ] - [ 0.0002703600000000, -0.0000195100000000, -0.0012755600000000 ] - [ -0.0200981400000000, 0.0068078900000000, -0.0119308700000000 ] - [ 0.0010551600000000, 0.0002335400000000, 0.0019528700000000 ] - [ 0.0002523000000000, 0.0000548500000000, 0.0013767800000000 ] - [ 0.0006202000000000, -0.0001962500000000, 0.0015950300000000 ] - [ -0.0002880100000000, 0.0001076300000000, -0.0021190800000000 ] - [ 0.0005831000000000, 0.0002289500000000, -0.0004112500000000 ] - [ -0.0001892300000000, -0.0000854800000000, -0.0002392600000000 ] - [ 0.0003073100000000, -0.0002884300000000, -0.0002847600000000 ] - [ -0.0001433600000000, 0.0000824200000000, -0.0014959700000000 ] - [ -0.0004855000000000, 0.0000615800000000, -0.0013305700000000 ] - [ -0.0001638300000000, -0.0001141600000000, -0.0011631100000000 ] - [ -0.0003946600000000, -0.0001609100000000, -0.0011631200000000 ] - [ -0.0002716000000000, -0.0000877400000000, -0.0007692200000000 ] - [ -0.0001009000000000, -0.0000573500000000, -0.0012179400000000 ] - [ -0.0001559900000000, -0.0001266900000000, -0.0005293800000000 ] - [ -0.0001192600000000, -0.0002586900000000, -0.0008304200000000 ] - [ -0.0022892500000000, -0.0013653300000000, -0.0071050300000000 ] - [ 0.0002459600000000, -0.0001127000000000, -0.0003041700000000 ] - [ 0.0001227600000000, 0.0004462900000000, -0.0005592100000000 ] - [ 0.0000080700000000, -0.0000028200000000, -0.0000369500000000 ] - [ 0.0011104500000000, 0.0010886200000000, -0.0012728300000000 ] - [ -0.0005388300000000, 0.0000991400000000, -0.0002474600000000 ] - [ 0.0004460700000000, -0.0006528800000000, -0.0002403800000000 ] - [ -0.0003051100000000, -0.0002667400000000, -0.0000465500000000 ] - [ 0.0156939800000000, -0.0030896000000000, 0.0027215200000000 ] - [ -0.0017035900000000, -0.0003237700000000, 0.0014165200000000 ] - [ -0.0002672200000000, -0.0002996100000000, 0.0007829700000000 ] - [ -0.0008283300000000, 0.0005074900000000, 0.0008145400000000 ] - [ -0.0000768100000000, -0.0003446000000000, -0.0021431500000000 ] - [ -0.0002197800000000, -0.0003581300000000, -0.0003052400000000 ] - [ 0.0001896500000000, 0.0003682900000000, -0.0005225300000000 ] - [ -0.0003704200000000, 0.0002290700000000, -0.0002754600000000 ] - [ 0.0004047200000000, 0.0005269800000000, 0.0007643300000000 ] - [ -0.0072733800000000, 0.0129692500000000, 0.0025672700000000 ] - [ 0.0004252900000000, -0.0005766100000000, 0.0007452400000000 ] - [ -0.0001917900000000, -0.0020709800000000, 0.0016769500000000 ] - [ 0.0000848700000000, -0.0002686700000000, -0.0009151100000000 ] - [ 0.0002511200000000, -0.0001207200000000, -0.0008265000000000 ] - [ 0.0001497300000000, -0.0000393700000000, -0.0007864500000000 ] - [ 0.0001631500000000, -0.0001073600000000, -0.0006369200000000 ] - [ 0.0001687200000000, -0.0000050400000000, -0.0006912700000000 ] - [ -0.0000726700000000, 0.0000482300000000, -0.0004357700000000 ] - [ 0.0000066700000000, 0.0000131600000000, -0.0004672400000000 ] - [ -0.0000187200000000, 0.0000175300000000, -0.0003845200000000 ] - [ -0.0005078700000000, -0.0001698700000000, 0.0025582200000000 ] - [ 0.0000539700000000, 0.0000210000000000, 0.0013722600000000 ] - [ -0.0000440900000000, 0.0000417900000000, 0.0015099000000000 ] - [ -0.0000010500000000, 0.0000214800000000, 0.0010594800000000 ] - [ -0.0008933600000000, -0.0005843400000000, 0.0018465700000000 ] - [ 0.0012163700000000, -0.0005030200000000, 0.0012828600000000 ] - [ -0.0004457900000000, 0.0007060400000000, 0.0012567800000000 ] - [ 0.0008492400000000, 0.0010435000000000, 0.0009561600000000 ] - [ 0.0000208500000000, -0.0000221300000000, 0.0017067600000000 ] - [ 0.0000744400000000, 0.0000049500000000, 0.0014992500000000 ] - [ -0.0000398300000000, 0.0000438100000000, 0.0015091400000000 ] - [ 0.0001579200000000, -0.0000073800000000, 0.0013500300000000 ] - [ -0.0012254700000000, -0.0105863000000000, -0.0352967000000000 ] - [ 0.0000829900000000, -0.0002700000000000, -0.0022287800000000 ] - [ -0.0005860500000000, -0.0004046100000000, -0.0046550900000000 ] - [ 0.0001578300000000, 0.0000052400000000, -0.0019764500000000 ] - [ 0.0013259800000000, 0.0018024100000000, -0.0006961900000000 ] - [ -0.0036610400000000, -0.0009725000000000, 0.0085719300000000 ] - [ 0.0017777200000000, -0.0009560800000000, -0.0007233100000000 ] - [ -0.0002847700000000, -0.0003714200000000, 0.0002595500000000 ] - [ -0.0075594800000000, 0.0029903600000000, -0.0327946300000000 ] - [ 0.0002188200000000, 0.0002253300000000, -0.0032752600000000 ] - [ -0.0000403800000000, 0.0004877600000000, -0.0011050800000000 ] - [ 0.0004134200000000, -0.0001918700000000, -0.0023629500000000 ] - [ 0.0025947300000000, -0.0017212800000000, 0.0087753400000000 ] - [ -0.0027329900000000, -0.0011847800000000, -0.0005250300000000 ] - [ 0.0000382500000000, 0.0006741100000000, -0.0006262900000000 ] - [ -0.0015302200000000, 0.0017324200000000, -0.0005945000000000 ] - [ -0.0006147300000000, 0.0000318100000000, 0.0012458700000000 ] - [ 0.0028248900000000, -0.0012590600000000, 0.0042113900000000 ] - [ -0.0003947600000000, 0.0000811000000000, 0.0006309100000000 ] - [ 0.0000321500000000, 0.0001226600000000, 0.0013056500000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000261000000000, -0.0002003400000000, 0.0007784600000000 ] - [ -0.0001307100000000, 0.0000214700000000, -0.0002088600000000 ] - [ 0.0002090700000000, 0.0002490400000000, 0.0008409600000000 ] - [ -0.0001516600000000, -0.0000129400000000, -0.0002329300000000 ] - [ -0.0001198500000000, -0.0000202100000000, -0.0001433200000000 ] - [ -0.0000214900000000, 0.0002065500000000, 0.0008422900000000 ] - [ -0.0001372300000000, 0.0000124200000000, -0.0001630800000000 ] - [ 0.0002149300000000, -0.0002446500000000, 0.0009018400000000 ] - [ -0.0008007300000000, -0.0000865600000000, 0.0000553600000000 ] - [ 0.0015977800000000, -0.0001511500000000, 0.0005546900000000 ] - [ -0.0010898600000000, 0.0000340600000000, 0.0001237900000000 ] - [ 0.0011097200000000, -0.0001722100000000, 0.0001250700000000 ] - [ 0.0016082000000000, 0.0001551700000000, 0.0004883200000000 ] - [ -0.0007949000000000, 0.0000854000000000, -0.0000100000000000 ] - [ 0.0011222900000000, 0.0001577400000000, 0.0000556600000000 ] - [ -0.0010784600000000, -0.0000356100000000, 0.0000528100000000 ] - [ -0.0020064000000000, -0.0009816700000000, 0.0017481800000000 ] - [ 0.0001169800000000, 0.0000538300000000, -0.0011253400000000 ] - [ -0.0003952300000000, 0.0003547100000000, 0.0003905500000000 ] - [ 0.0004157000000000, -0.0001330400000000, -0.0001486300000000 ] - [ 0.0001219900000000, -0.0000565700000000, -0.0011987500000000 ] - [ -0.0020132700000000, 0.0009758900000000, 0.0016797200000000 ] - [ 0.0004033300000000, 0.0001346300000000, -0.0002221600000000 ] - [ -0.0004057800000000, -0.0003571300000000, 0.0003272200000000 ] - [ 0.0008149100000000, 0.0000447200000000, 0.0005157800000000 ] - [ -0.0003155100000000, 0.0000075000000000, -0.0000004800000000 ] - [ 0.0002394300000000, -0.0000876900000000, 0.0003161000000000 ] - [ -0.0002190800000000, 0.0000044500000000, -0.0000167300000000 ] - [ -0.0003265400000000, -0.0000072400000000, 0.0000669700000000 ] - [ 0.0007939100000000, -0.0000455400000000, 0.0005904300000000 ] - [ -0.0002248400000000, -0.0000005300000000, 0.0000456600000000 ] - [ 0.0002307400000000, 0.0000913700000000, 0.0003810800000000 ] - [ 0.0012440000000000, -0.0002683300000000, 0.0007077500000000 ] - [ 0.0002324600000000, -0.0094799000000000, -0.0085488600000000 ] - [ 0.0013479100000000, -0.0005585100000000, 0.0007249600000000 ] - [ -0.0021027200000000, 0.0032013300000000, 0.0000253300000000 ] - [ -0.0004403600000000, 0.0001592400000000, -0.0003216700000000 ] - [ 0.0004439900000000, -0.0002127000000000, -0.0003586200000000 ] - [ -0.0003693400000000, 0.0000447000000000, -0.0003326800000000 ] - [ 0.0002648200000000, -0.0000917300000000, -0.0002991200000000 ] - [ 0.0005188600000000, 0.0001853400000000, -0.0002355400000000 ] - [ -0.0003602500000000, -0.0001890200000000, -0.0001927100000000 ] - [ 0.0003400800000000, 0.0000641800000000, -0.0001761100000000 ] - [ -0.0002907800000000, -0.0000705200000000, -0.0002086100000000 ] - [ 0.0018149500000000, 0.0003010200000000, 0.0011183300000000 ] - [ 0.0153716100000000, 0.0090855900000000, -0.0197578600000000 ] - [ 0.0006965700000000, 0.0005061400000000, 0.0006827900000000 ] - [ -0.0003350000000000, -0.0012150900000000, 0.0003126000000000 ] - [ 0.0156856200000000, -0.0091720200000000, -0.0202015800000000 ] - [ 0.0018845800000000, -0.0002752900000000, 0.0009888300000000 ] - [ -0.0002630900000000, 0.0012391600000000, 0.0001883400000000 ] - [ 0.0007734100000000, -0.0004787100000000, 0.0005570800000000 ] - [ -0.1129288200000000, -0.0001467100000000, 0.1859051700000000 ] - [ 0.0013292400000000, 0.0000223600000000, 0.0001645100000000 ] - [ -0.0016978200000000, 0.0000203100000000, 0.0027115800000000 ] - [ 0.0007159500000000, 0.0000216400000000, 0.0001683800000000 ] - [ 0.0000733700000000, 0.0095451800000000, -0.0087114100000000 ] - [ 0.0011700100000000, 0.0002978000000000, 0.0005816800000000 ] - [ -0.0021877000000000, -0.0031825000000000, -0.0000990400000000 ] - [ 0.0012700100000000, 0.0005839900000000, 0.0005979400000000 ] - [ -0.0003159600000000, -0.0001012200000000, -0.0002246700000000 ] - [ 0.0003942600000000, -0.0000407700000000, -0.0004568100000000 ] - [ -0.0002922600000000, -0.0001436200000000, -0.0002042300000000 ] - [ 0.0005099600000000, 0.0001810500000000, -0.0005468700000000 ] - [ -0.0000848600000000, -0.0000220200000000, -0.0008582300000000 ] - [ 0.0003754100000000, -0.0000214500000000, -0.0007145300000000 ] - [ -0.0000712600000000, -0.0000211300000000, -0.0006567700000000 ] - [ 0.0004041500000000, -0.0000213700000000, -0.0007407600000000 ] - [ 0.0018136100000000, 0.0015395000000000, 0.0020668800000000 ] - [ 0.0018133800000000, -0.0014864200000000, 0.0020713700000000 ] - [ 0.0018163400000000, -0.0018837900000000, 0.0028319800000000 ] - [ 0.0018107900000000, 0.0019173700000000, 0.0028277800000000 ] - [ 0.0016560900000000, 0.0009220100000000, -0.0009077400000000 ] - [ -0.0003304600000000, -0.0002779900000000, 0.0010789000000000 ] - [ 0.0018289000000000, -0.0029920300000000, -0.0013236200000000 ] - [ -0.0003328900000000, 0.0004401600000000, 0.0011068100000000 ] - [ -0.0001416000000000, -0.0000458400000000, -0.0009162100000000 ] - [ -0.0001389300000000, 0.0000034800000000, -0.0009120900000000 ] - [ -0.0001493300000000, -0.0000214600000000, -0.0006759500000000 ] - [ -0.0001473100000000, -0.0000213600000000, -0.0006742800000000 ] - [ -0.0006908100000000, -0.0000661900000000, -0.0009671100000000 ] - [ 0.0003370400000000, -0.0000205600000000, -0.0000837400000000 ] - [ -0.0007136900000000, -0.0000733200000000, -0.0005576500000000 ] - [ 0.0003951500000000, -0.0000769300000000, -0.0001127500000000 ] - [ 0.0004053700000000, -0.0000856800000000, -0.0001264900000000 ] - [ -0.0006157700000000, -0.0000420900000000, -0.0010122700000000 ] - [ 0.0004665900000000, -0.0000275200000000, -0.0001554400000000 ] - [ -0.0006408600000000, -0.0000258600000000, -0.0006026700000000 ] - [ -0.0000170500000000, -0.0000556400000000, 0.0000409800000000 ] - [ 0.0002530800000000, -0.0001072200000000, -0.0016771800000000 ] - [ -0.0000371300000000, -0.0000942600000000, 0.0000106500000000 ] - [ 0.0000624500000000, 0.0001041600000000, -0.0007779600000000 ] - [ -0.0002672500000000, 0.0003846700000000, 0.0011296300000000 ] - [ 0.0017348500000000, -0.0008157800000000, -0.0008636300000000 ] - [ -0.0002638800000000, -0.0003326800000000, 0.0011551100000000 ] - [ 0.0018904300000000, 0.0030853300000000, -0.0012726500000000 ] - [ 0.0020269500000000, 0.0002104400000000, 0.0003156800000000 ] - [ -0.0075018600000000, 0.0004499700000000, 0.0037249700000000 ] - [ 0.0011330300000000, 0.0001038900000000, 0.0002770200000000 ] - [ -0.0012213000000000, 0.0000939700000000, -0.0001352900000000 ] - [ -0.0075526800000000, -0.0003364200000000, 0.0037001300000000 ] - [ 0.0019569900000000, -0.0001039000000000, 0.0003646300000000 ] - [ -0.0012927300000000, 0.0000090800000000, -0.0000895200000000 ] - [ 0.0010608200000000, 0.0000007400000000, 0.0003212400000000 ] - [ 0.0003176400000000, 0.0000009300000000, -0.0016358200000000 ] - [ 0.0000564000000000, -0.0000498600000000, 0.0000817600000000 ] - [ 0.0001296900000000, -0.0002110300000000, -0.0007374200000000 ] - [ 0.0000361400000000, -0.0000126000000000, 0.0000515000000000 ] - [ 0.0003188300000000, 0.0000150500000000, -0.0003348000000000 ] - [ -0.0003902700000000, 0.0000708200000000, -0.0001010500000000 ] - [ 0.0004329900000000, -0.0002079900000000, -0.0004253000000000 ] - [ -0.0003653600000000, 0.0001181200000000, -0.0000805400000000 ] - [ -0.0007435400000000, -0.0001894400000000, 0.0006814600000000 ] - [ 0.0007311700000000, 0.0002268700000000, 0.0009979500000000 ] - [ -0.0008031600000000, 0.0000476200000000, 0.0007256300000000 ] - [ 0.0005641000000000, 0.0000428000000000, 0.0007752200000000 ] - [ 0.0004834200000000, 0.0000867800000000, 0.0005968300000000 ] - [ -0.0008408800000000, -0.0001603700000000, 0.0014961100000000 ] - [ 0.0004202800000000, 0.0001029200000000, 0.0005284100000000 ] - [ -0.0004188400000000, 0.0000505000000000, 0.0010178200000000 ] - [ -0.0007744000000000, 0.0002071600000000, 0.0014523600000000 ] - [ 0.0005361400000000, -0.0000414500000000, 0.0005460700000000 ] - [ -0.0003538200000000, -0.0000039600000000, 0.0009734600000000 ] - [ 0.0004784200000000, -0.0000531800000000, 0.0004826800000000 ] - [ -0.0032752000000000, -0.0001397800000000, -0.0009795000000000 ] - [ 0.0515276900000000, -0.0138123300000000, -0.0668550200000000 ] - [ -0.0018515700000000, 0.0003127600000000, -0.0006789200000000 ] - [ 0.0028327200000000, -0.0010351900000000, -0.0019886500000000 ] - [ 0.0510520800000000, 0.0139641700000000, -0.0678440400000000 ] - [ -0.0032070900000000, 0.0000881200000000, -0.0009270000000000 ] - [ 0.0028974600000000, 0.0009955600000000, -0.0019407400000000 ] - [ -0.0017899400000000, -0.0003588800000000, -0.0006297700000000 ] - [ -0.0016723300000000, -0.0010062600000000, -0.0032730000000000 ] - [ -0.0049713000000000, 0.0043446000000000, -0.0003207000000000 ] - [ -0.0022830000000000, 0.0010050400000000, -0.0039429700000000 ] - [ -0.0021015800000000, -0.0133333200000000, -0.0009805400000000 ] - [ -0.0050037400000000, -0.0043884000000000, -0.0002501100000000 ] - [ -0.0017366500000000, 0.0009552700000000, -0.0032140600000000 ] - [ -0.0021628200000000, 0.0133302500000000, -0.0009339900000000 ] - [ -0.0023409600000000, -0.0010406800000000, -0.0038801500000000 ] - [ 0.0007954000000000, -0.0001731600000000, 0.0010463600000000 ] - [ -0.0006814700000000, 0.0002363700000000, 0.0007275900000000 ] - [ 0.0006296000000000, 0.0000016700000000, 0.0008223600000000 ] - [ -0.0007408600000000, 0.0000004100000000, 0.0007717100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001895700000000, 0.0001505800000000, 0.0007053400000000 ] - [ 0.0000487100000000, 0.0000921400000000, 0.0001402900000000 ] - [ 0.0000321600000000, -0.0001352100000000, -0.0003671200000000 ] - [ -0.0000870700000000, -0.0000666100000000, -0.0002227100000000 ] - [ -0.0000487100000000, 0.0000921400000000, -0.0001402900000000 ] - [ 0.0001895700000000, 0.0001505800000000, -0.0007053400000000 ] - [ 0.0000870700000000, -0.0000666100000000, 0.0002227100000000 ] - [ -0.0000321600000000, -0.0001352100000000, 0.0003671200000000 ] - [ -0.0003479400000000, -0.0000755800000000, 0.0001637000000000 ] - [ 0.0011738400000000, -0.0004337400000000, 0.0013859100000000 ] - [ 0.0001806100000000, 0.0000071400000000, -0.0001043800000000 ] - [ -0.0001819600000000, -0.0003985900000000, -0.0013071100000000 ] - [ -0.0011738400000000, -0.0004337400000000, -0.0013859100000000 ] - [ 0.0003479400000000, -0.0000755800000000, -0.0001637000000000 ] - [ 0.0001819600000000, -0.0003985900000000, 0.0013071100000000 ] - [ -0.0001806100000000, 0.0000071400000000, 0.0001043800000000 ] - [ 0.0003410900000000, 0.0010547100000000, -0.0003435900000000 ] - [ -0.0002981700000000, 0.0006290200000000, 0.0000659100000000 ] - [ -0.0000875200000000, -0.0005991600000000, 0.0001157400000000 ] - [ 0.0000442000000000, -0.0004277400000000, 0.0000182800000000 ] - [ 0.0002981700000000, 0.0006290200000000, -0.0000659100000000 ] - [ -0.0003410900000000, 0.0010547100000000, 0.0003435900000000 ] - [ -0.0000442000000000, -0.0004277400000000, -0.0000182800000000 ] - [ 0.0000875200000000, -0.0005991600000000, -0.0001157400000000 ] - [ 0.0001608300000000, 0.0001382000000000, -0.0003309100000000 ] - [ -0.0000203900000000, 0.0000883600000000, -0.0000824200000000 ] - [ 0.0000379500000000, -0.0003199800000000, 0.0001025900000000 ] - [ -0.0000066000000000, -0.0000944800000000, 0.0000015800000000 ] - [ 0.0000203900000000, 0.0000883600000000, 0.0000824200000000 ] - [ -0.0001608300000000, 0.0001382000000000, 0.0003309100000000 ] - [ 0.0000066000000000, -0.0000944800000000, -0.0000015800000000 ] - [ -0.0000379500000000, -0.0003199800000000, -0.0001025900000000 ] - [ 0.0004633400000000, -0.0005562200000000, 0.0002932200000000 ] - [ -0.0115175800000000, 0.0115875400000000, 0.0154557100000000 ] - [ -0.0004305500000000, 0.0005394400000000, -0.0001621500000000 ] - [ 0.0007777600000000, 0.0035990800000000, -0.0013542700000000 ] - [ 0.0000508300000000, -0.0003804100000000, -0.0002501700000000 ] - [ 0.0000315400000000, -0.0001765900000000, -0.0000608900000000 ] - [ -0.0001016300000000, 0.0002385300000000, -0.0000676900000000 ] - [ -0.0001083900000000, 0.0001433200000000, -0.0000691200000000 ] - [ -0.0000315400000000, -0.0001765900000000, 0.0000608900000000 ] - [ -0.0000508300000000, -0.0003804100000000, 0.0002501700000000 ] - [ 0.0001083900000000, 0.0001433200000000, 0.0000691200000000 ] - [ 0.0001016300000000, 0.0002385300000000, 0.0000676900000000 ] - [ -0.0006287500000000, -0.0007514200000000, -0.0001456300000000 ] - [ 0.0066675300000000, -0.0040084400000000, -0.0066982600000000 ] - [ 0.0003176100000000, 0.0008131100000000, 0.0002828600000000 ] - [ 0.0000060800000000, 0.0032488600000000, 0.0000338100000000 ] - [ -0.0066675300000000, -0.0040084400000000, 0.0066982600000000 ] - [ 0.0006287500000000, -0.0007514200000000, 0.0001456300000000 ] - [ -0.0000060800000000, 0.0032488600000000, -0.0000338100000000 ] - [ -0.0003176100000000, 0.0008131100000000, -0.0002828600000000 ] - [ 0.0000000000000000, -0.0671302500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003903500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019100400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004033300000000, 0.0000000000000000 ] - [ 0.0115175800000000, 0.0115875400000000, -0.0154557100000000 ] - [ -0.0004633400000000, -0.0005562200000000, -0.0002932200000000 ] - [ -0.0007777600000000, 0.0035990800000000, 0.0013542700000000 ] - [ 0.0004305500000000, 0.0005394400000000, 0.0001621500000000 ] - [ 0.0001874400000000, 0.0000448200000000, 0.0000272500000000 ] - [ -0.0000146900000000, 0.0000475700000000, 0.0000758300000000 ] - [ -0.0000160700000000, -0.0000383700000000, -0.0001691500000000 ] - [ 0.0000555800000000, -0.0000444600000000, -0.0001478500000000 ] - [ 0.0000000000000000, -0.0001561900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000711900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000528200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000222500000000, 0.0000000000000000 ] - [ 0.0019032100000000, 0.0006789900000000, 0.0014596100000000 ] - [ -0.0019032100000000, 0.0006789900000000, -0.0014596100000000 ] - [ -0.0015070800000000, 0.0006790000000000, -0.0005113700000000 ] - [ 0.0015070800000000, 0.0006790000000000, 0.0005113700000000 ] - [ 0.0026401400000000, 0.0000064400000000, -0.0009798000000000 ] - [ -0.0005899700000000, -0.0000545900000000, -0.0007547800000000 ] - [ -0.0007291400000000, 0.0007003800000000, 0.0006611300000000 ] - [ 0.0004467200000000, 0.0003960600000000, 0.0006330800000000 ] - [ -0.0000254900000000, -0.0000737400000000, -0.0000206800000000 ] - [ 0.0000254900000000, -0.0000737400000000, 0.0000206800000000 ] - [ -0.0000006300000000, 0.0000533100000000, -0.0000396400000000 ] - [ 0.0000006300000000, 0.0000533100000000, 0.0000396400000000 ] - [ -0.0003776500000000, -0.0001593100000000, -0.0007981300000000 ] - [ 0.0000125600000000, -0.0000883900000000, -0.0001000800000000 ] - [ 0.0000452300000000, 0.0000428000000000, 0.0003545300000000 ] - [ -0.0000070300000000, -0.0000097000000000, 0.0001459300000000 ] - [ -0.0000125600000000, -0.0000883900000000, 0.0001000800000000 ] - [ 0.0003776500000000, -0.0001593100000000, 0.0007981300000000 ] - [ 0.0000070300000000, -0.0000097000000000, -0.0001459300000000 ] - [ -0.0000452300000000, 0.0000428000000000, -0.0003545300000000 ] - [ -0.0000980900000000, -0.0002494400000000, -0.0000801600000000 ] - [ 0.0000458200000000, -0.0004701600000000, -0.0001825800000000 ] - [ -0.0000354000000000, 0.0001596600000000, -0.0000651800000000 ] - [ -0.0000709200000000, 0.0002768100000000, 0.0000251000000000 ] - [ 0.0005899700000000, -0.0000545900000000, 0.0007547800000000 ] - [ -0.0026401400000000, 0.0000064400000000, 0.0009798000000000 ] - [ -0.0004467200000000, 0.0003960600000000, -0.0006330800000000 ] - [ 0.0007291400000000, 0.0007003800000000, -0.0006611300000000 ] - [ -0.0000403300000000, -0.0004297000000000, 0.0000452900000000 ] - [ 0.0004304300000000, -0.0063803600000000, 0.0047415700000000 ] - [ 0.0001286300000000, 0.0005079800000000, -0.0000151200000000 ] - [ -0.0000432000000000, 0.0015940300000000, -0.0000596100000000 ] - [ -0.0004304300000000, -0.0063803600000000, -0.0047415700000000 ] - [ 0.0000403300000000, -0.0004297000000000, -0.0000452900000000 ] - [ 0.0000432000000000, 0.0015940300000000, 0.0000596100000000 ] - [ -0.0001286300000000, 0.0005079800000000, 0.0000151200000000 ] - [ -0.0000458200000000, -0.0004701600000000, 0.0001825800000000 ] - [ 0.0000980900000000, -0.0002494400000000, 0.0000801600000000 ] - [ 0.0000709200000000, 0.0002768100000000, -0.0000251000000000 ] - [ 0.0000354000000000, 0.0001596600000000, 0.0000651800000000 ] - [ 0.0000146900000000, 0.0000475700000000, -0.0000758300000000 ] - [ -0.0001874400000000, 0.0000448200000000, -0.0000272500000000 ] - [ -0.0000555800000000, -0.0000444600000000, 0.0001478500000000 ] - [ 0.0000160700000000, -0.0000383700000000, 0.0001691500000000 ] - [ -0.0000781600000000, 0.0002362400000000, 0.0001255800000000 ] - [ 0.0003936400000000, 0.0005915300000000, 0.0002684800000000 ] - [ -0.0000480400000000, -0.0001555000000000, -0.0001403800000000 ] - [ -0.0001796700000000, -0.0002878500000000, -0.0002397300000000 ] - [ 0.0000324200000000, 0.0001924700000000, 0.0001857800000000 ] - [ -0.0001371300000000, 0.0001865800000000, 0.0000759300000000 ] - [ -0.0000436700000000, -0.0002451600000000, 0.0000334000000000 ] - [ 0.0000464000000000, -0.0002208000000000, -0.0000723200000000 ] - [ 0.0001371300000000, 0.0001865800000000, -0.0000759300000000 ] - [ -0.0000324200000000, 0.0001924700000000, -0.0001857800000000 ] - [ -0.0000464000000000, -0.0002208000000000, 0.0000723200000000 ] - [ 0.0000436700000000, -0.0002451600000000, -0.0000334000000000 ] - [ 0.0002356500000000, 0.0012384300000000, -0.0000653700000000 ] - [ -0.0134076100000000, 0.0349534100000000, 0.0378447800000000 ] - [ -0.0001276700000000, -0.0011089500000000, 0.0000643400000000 ] - [ -0.0003719100000000, -0.0054514000000000, -0.0000343500000000 ] - [ 0.0134076100000000, 0.0349534100000000, -0.0378447800000000 ] - [ -0.0002356500000000, 0.0012384300000000, 0.0000653700000000 ] - [ 0.0003719100000000, -0.0054514000000000, 0.0000343500000000 ] - [ 0.0001276700000000, -0.0011089500000000, -0.0000643400000000 ] - [ -0.0014521700000000, -0.0007011300000000, -0.0016839300000000 ] - [ 0.0084813400000000, -0.0046778400000000, 0.0013828300000000 ] - [ 0.0019671600000000, -0.0000286400000000, 0.0016257400000000 ] - [ -0.0034580000000000, -0.0029370800000000, 0.0023424500000000 ] - [ -0.0084813400000000, -0.0046778400000000, -0.0013828300000000 ] - [ 0.0014521700000000, -0.0007011300000000, 0.0016839300000000 ] - [ 0.0034580000000000, -0.0029370800000000, -0.0023424500000000 ] - [ -0.0019671600000000, -0.0000286400000000, -0.0016257400000000 ] - [ -0.0003936400000000, 0.0005915300000000, -0.0002684800000000 ] - [ 0.0000781600000000, 0.0002362400000000, -0.0001255800000000 ] - [ 0.0001796700000000, -0.0002878500000000, 0.0002397300000000 ] - [ 0.0000480400000000, -0.0001555000000000, 0.0001403800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001813600000000, -0.0001437300000000, -0.0007589500000000 ] - [ -0.0000637700000000, -0.0000943700000000, -0.0001967900000000 ] - [ -0.0000417100000000, 0.0001337800000000, 0.0003056300000000 ] - [ 0.0000780900000000, 0.0000668800000000, 0.0001661000000000 ] - [ 0.0000637700000000, -0.0000943700000000, 0.0001967900000000 ] - [ -0.0001813600000000, -0.0001437300000000, 0.0007589500000000 ] - [ -0.0000780900000000, 0.0000668800000000, -0.0001661000000000 ] - [ 0.0000417100000000, 0.0001337800000000, -0.0003056300000000 ] - [ 0.0003368800000000, 0.0000771500000000, -0.0001052500000000 ] - [ -0.0011795100000000, 0.0004385200000000, -0.0013206400000000 ] - [ -0.0001893100000000, -0.0000073200000000, 0.0001623000000000 ] - [ 0.0001704000000000, 0.0003863200000000, 0.0013780400000000 ] - [ 0.0011795100000000, 0.0004385200000000, 0.0013206400000000 ] - [ -0.0003368800000000, 0.0000771500000000, 0.0001052500000000 ] - [ -0.0001704000000000, 0.0003863200000000, -0.0013780400000000 ] - [ 0.0001893100000000, -0.0000073200000000, -0.0001623000000000 ] - [ -0.0003233800000000, -0.0010456100000000, 0.0003975800000000 ] - [ 0.0002969600000000, -0.0006296900000000, -0.0000049600000000 ] - [ 0.0000994200000000, 0.0005986500000000, -0.0000546300000000 ] - [ -0.0000331700000000, 0.0004279900000000, 0.0000422000000000 ] - [ -0.0002969600000000, -0.0006296900000000, 0.0000049600000000 ] - [ 0.0003233800000000, -0.0010456100000000, -0.0003975800000000 ] - [ 0.0000331700000000, 0.0004279900000000, -0.0000422000000000 ] - [ -0.0000994200000000, 0.0005986500000000, 0.0000546300000000 ] - [ -0.0001425900000000, -0.0001404900000000, 0.0002636300000000 ] - [ 0.0000324300000000, -0.0000898000000000, 0.0000252400000000 ] - [ -0.0000277700000000, 0.0003177200000000, -0.0001586600000000 ] - [ 0.0000146200000000, 0.0000977700000000, -0.0000585000000000 ] - [ -0.0000324300000000, -0.0000898000000000, -0.0000252400000000 ] - [ 0.0001425900000000, -0.0001404900000000, -0.0002636300000000 ] - [ -0.0000146200000000, 0.0000977700000000, 0.0000585000000000 ] - [ 0.0000277700000000, 0.0003177200000000, 0.0001586600000000 ] - [ -0.0003844400000000, 0.0005837600000000, -0.0001525700000000 ] - [ 0.0114629400000000, -0.0113993200000000, -0.0150862000000000 ] - [ 0.0005106700000000, -0.0005099000000000, 0.0003032700000000 ] - [ -0.0007174100000000, -0.0035865200000000, 0.0015156700000000 ] - [ -0.0001310400000000, 0.0003481300000000, 0.0001070000000000 ] - [ -0.0001086600000000, 0.0001468700000000, -0.0000787500000000 ] - [ 0.0000211400000000, -0.0002643300000000, -0.0000708800000000 ] - [ 0.0000320900000000, -0.0001701400000000, -0.0000684000000000 ] - [ 0.0001086600000000, 0.0001468700000000, 0.0000787500000000 ] - [ 0.0001310400000000, 0.0003481300000000, -0.0001070000000000 ] - [ -0.0000320900000000, -0.0001701400000000, 0.0000684000000000 ] - [ -0.0000211400000000, -0.0002643300000000, 0.0000708800000000 ] - [ 0.0005542100000000, 0.0007805200000000, 0.0002849000000000 ] - [ -0.0067543200000000, 0.0040881000000000, 0.0068251000000000 ] - [ -0.0003930700000000, -0.0007840600000000, -0.0001434500000000 ] - [ -0.0000870500000000, -0.0032171900000000, 0.0001047900000000 ] - [ 0.0067543200000000, 0.0040881000000000, -0.0068251000000000 ] - [ -0.0005542100000000, 0.0007805200000000, -0.0002849000000000 ] - [ 0.0000870500000000, -0.0032171900000000, -0.0001047900000000 ] - [ 0.0003930700000000, -0.0007840600000000, 0.0001434500000000 ] - [ 0.0000000000000000, 0.0681256400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004273400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0018756500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003651300000000, 0.0000000000000000 ] - [ -0.0114629400000000, -0.0113993200000000, 0.0150862000000000 ] - [ 0.0003844400000000, 0.0005837600000000, 0.0001525700000000 ] - [ 0.0007174100000000, -0.0035865200000000, -0.0015156700000000 ] - [ -0.0005106700000000, -0.0005099000000000, -0.0003032700000000 ] - [ -0.0001089400000000, -0.0000759600000000, -0.0001654600000000 ] - [ 0.0000892500000000, -0.0000745700000000, -0.0002116500000000 ] - [ 0.0000907100000000, 0.0000125200000000, 0.0000318400000000 ] - [ 0.0000220200000000, 0.0000179900000000, 0.0000113100000000 ] - [ 0.0000000000000000, 0.0001178100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000336100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000894200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000592600000000, 0.0000000000000000 ] - [ -0.0018980200000000, -0.0006414700000000, -0.0014551100000000 ] - [ 0.0018980200000000, -0.0006414700000000, 0.0014551100000000 ] - [ 0.0015189800000000, -0.0006407400000000, 0.0005067300000000 ] - [ -0.0015189800000000, -0.0006407400000000, -0.0005067300000000 ] - [ -0.0026925500000000, 0.0000918400000000, 0.0009240800000000 ] - [ 0.0005230500000000, 0.0001581200000000, 0.0006951500000000 ] - [ 0.0006641300000000, -0.0005844700000000, -0.0007152300000000 ] - [ -0.0005167900000000, -0.0002884500000000, -0.0006874500000000 ] - [ 0.0000236400000000, 0.0000374200000000, 0.0000193500000000 ] - [ -0.0000236400000000, 0.0000374200000000, -0.0000193500000000 ] - [ -0.0000006900000000, -0.0000894700000000, 0.0000387400000000 ] - [ 0.0000006900000000, -0.0000894700000000, -0.0000387400000000 ] - [ 0.0003038400000000, 0.0000550000000000, 0.0008465500000000 ] - [ -0.0000766300000000, -0.0000171500000000, 0.0001519900000000 ] - [ -0.0001160900000000, -0.0001369400000000, -0.0003010700000000 ] - [ -0.0000631000000000, -0.0000903300000000, -0.0000926200000000 ] - [ 0.0000766300000000, -0.0000171500000000, -0.0001519900000000 ] - [ -0.0003038400000000, 0.0000550000000000, -0.0008465500000000 ] - [ 0.0000631000000000, -0.0000903300000000, 0.0000926200000000 ] - [ 0.0001160900000000, -0.0001369400000000, 0.0003010700000000 ] - [ 0.0000311800000000, 0.0001469400000000, 0.0000300400000000 ] - [ -0.0001070700000000, 0.0003616100000000, 0.0001249800000000 ] - [ -0.0000355600000000, -0.0002645100000000, 0.0000176500000000 ] - [ 0.0000050000000000, -0.0003820700000000, -0.0000747800000000 ] - [ -0.0005230500000000, 0.0001581200000000, -0.0006951500000000 ] - [ 0.0026925500000000, 0.0000918400000000, -0.0009240800000000 ] - [ 0.0005167900000000, -0.0002884500000000, 0.0006874500000000 ] - [ -0.0006641300000000, -0.0005844700000000, 0.0007152300000000 ] - [ 0.0001028700000000, 0.0005302200000000, -0.0001039000000000 ] - [ -0.0003822400000000, 0.0064932300000000, -0.0047621400000000 ] - [ -0.0000602300000000, -0.0004026600000000, -0.0000360800000000 ] - [ 0.0001091700000000, -0.0014918500000000, -0.0000001500000000 ] - [ 0.0003822400000000, 0.0064932300000000, 0.0047621400000000 ] - [ -0.0001028700000000, 0.0005302200000000, 0.0001039000000000 ] - [ -0.0001091700000000, -0.0014918500000000, 0.0000001500000000 ] - [ 0.0000602300000000, -0.0004026600000000, 0.0000360800000000 ] - [ 0.0001070700000000, 0.0003616100000000, -0.0001249800000000 ] - [ -0.0000311800000000, 0.0001469400000000, -0.0000300400000000 ] - [ -0.0000050000000000, -0.0003820700000000, 0.0000747800000000 ] - [ 0.0000355600000000, -0.0002645100000000, -0.0000176500000000 ] - [ -0.0000892500000000, -0.0000745700000000, 0.0002116500000000 ] - [ 0.0001089400000000, -0.0000759600000000, 0.0001654600000000 ] - [ -0.0000220200000000, 0.0000179900000000, -0.0000113100000000 ] - [ -0.0000907100000000, 0.0000125200000000, -0.0000318400000000 ] - [ 0.0000185400000000, -0.0001830000000000, -0.0001675100000000 ] - [ -0.0004511100000000, -0.0005336600000000, -0.0003095500000000 ] - [ -0.0000115100000000, 0.0002046900000000, 0.0000974600000000 ] - [ 0.0001172400000000, 0.0003356500000000, 0.0001970800000000 ] - [ -0.0000860400000000, -0.0001441300000000, -0.0001398800000000 ] - [ 0.0000738200000000, -0.0001383700000000, -0.0000327700000000 ] - [ -0.0000107500000000, 0.0002973600000000, 0.0000053400000000 ] - [ -0.0001068600000000, 0.0002696800000000, 0.0001114700000000 ] - [ -0.0000738200000000, -0.0001383700000000, 0.0000327700000000 ] - [ 0.0000860400000000, -0.0001441300000000, 0.0001398800000000 ] - [ 0.0001068600000000, 0.0002696800000000, -0.0001114700000000 ] - [ 0.0000107500000000, 0.0002973600000000, -0.0000053400000000 ] - [ -0.0002993700000000, -0.0012850800000000, 0.0000177500000000 ] - [ 0.0135330900000000, -0.0356789700000000, -0.0384398900000000 ] - [ 0.0000683700000000, 0.0010562900000000, -0.0001082600000000 ] - [ 0.0003090800000000, 0.0054123400000000, -0.0000148000000000 ] - [ -0.0135330900000000, -0.0356789700000000, 0.0384398900000000 ] - [ 0.0002993700000000, -0.0012850800000000, -0.0000177500000000 ] - [ -0.0003090800000000, 0.0054123400000000, 0.0000148000000000 ] - [ -0.0000683700000000, 0.0010562900000000, 0.0001082600000000 ] - [ 0.0015086700000000, 0.0006521200000000, 0.0016335200000000 ] - [ -0.0084054700000000, 0.0046268700000000, -0.0014172400000000 ] - [ -0.0019185400000000, -0.0000213700000000, -0.0016766000000000 ] - [ 0.0035416000000000, 0.0028381600000000, -0.0024222500000000 ] - [ 0.0084054700000000, 0.0046268700000000, 0.0014172400000000 ] - [ -0.0015086700000000, 0.0006521200000000, -0.0016335200000000 ] - [ -0.0035416000000000, 0.0028381600000000, 0.0024222500000000 ] - [ 0.0019185400000000, -0.0000213700000000, 0.0016766000000000 ] - [ 0.0004511100000000, -0.0005336600000000, 0.0003095500000000 ] - [ -0.0000185400000000, -0.0001830000000000, 0.0001675100000000 ] - [ -0.0001172400000000, 0.0003356500000000, -0.0001970800000000 ] - [ 0.0000115100000000, 0.0002046900000000, -0.0000974600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007542900000000, 0.0005895000000000, -0.0016595200000000 ] - [ -0.0004175400000000, 0.0003028400000000, -0.0005011300000000 ] - [ 0.0004870200000000, -0.0005687700000000, -0.0012393100000000 ] - [ -0.0003642500000000, -0.0002613900000000, -0.0004124900000000 ] - [ -0.0004100100000000, -0.0003024500000000, -0.0004338000000000 ] - [ 0.0007638600000000, -0.0005866000000000, -0.0015931500000000 ] - [ -0.0003541300000000, 0.0002635800000000, -0.0003435500000000 ] - [ 0.0004973500000000, 0.0005735400000000, -0.0011719500000000 ] - [ 0.0009904400000000, 0.0002574000000000, -0.0000312800000000 ] - [ -0.0020291000000000, 0.0029487100000000, -0.0015095800000000 ] - [ 0.0010492800000000, -0.0001470800000000, -0.0000862000000000 ] - [ -0.0012053600000000, -0.0049810800000000, -0.0012581200000000 ] - [ -0.0020181800000000, -0.0029617200000000, -0.0015673900000000 ] - [ 0.0009960500000000, -0.0002585600000000, -0.0000917000000000 ] - [ -0.0011961000000000, 0.0050028000000000, -0.0013169400000000 ] - [ 0.0010634200000000, 0.0001490500000000, -0.0001488100000000 ] - [ 0.0027908400000000, 0.0008884400000000, -0.0019155500000000 ] - [ -0.0055069600000000, 0.0009056900000000, -0.0007777300000000 ] - [ 0.0006642600000000, -0.0002711500000000, -0.0004001500000000 ] - [ -0.0006381900000000, -0.0000958800000000, 0.0001534200000000 ] - [ -0.0055371900000000, -0.0009148300000000, -0.0008318500000000 ] - [ 0.0027812300000000, -0.0008910800000000, -0.0019765400000000 ] - [ -0.0006514800000000, 0.0000972100000000, 0.0000874500000000 ] - [ 0.0006549200000000, 0.0002677100000000, -0.0004604200000000 ] - [ 0.0020811600000000, -0.0003047400000000, -0.0050263400000000 ] - [ -0.0001093900000000, -0.0000818500000000, -0.0003504200000000 ] - [ -0.0000685800000000, 0.0002248800000000, -0.0007405400000000 ] - [ 0.0000271000000000, 0.0000366300000000, -0.0002484300000000 ] - [ -0.0001273600000000, 0.0000807400000000, -0.0002824300000000 ] - [ 0.0020797500000000, 0.0003020900000000, -0.0049689400000000 ] - [ 0.0000203600000000, -0.0000328500000000, -0.0001831700000000 ] - [ -0.0000765600000000, -0.0002234100000000, -0.0006729900000000 ] - [ -0.0003001900000000, 0.0003235100000000, -0.0015276900000000 ] - [ -0.0144269100000000, 0.0214539100000000, 0.0085692700000000 ] - [ -0.0002295200000000, -0.0001930900000000, -0.0013589500000000 ] - [ 0.0005238100000000, -0.0053804000000000, -0.0013791300000000 ] - [ 0.0010596200000000, 0.0007084600000000, 0.0030249800000000 ] - [ -0.0007002300000000, 0.0003024100000000, 0.0010834000000000 ] - [ 0.0007152300000000, -0.0004265400000000, 0.0012113700000000 ] - [ -0.0003312800000000, 0.0000697300000000, 0.0007789900000000 ] - [ -0.0006222300000000, -0.0003294000000000, 0.0012093500000000 ] - [ 0.0011347800000000, -0.0007320900000000, 0.0031406600000000 ] - [ -0.0002549200000000, -0.0000977300000000, 0.0009046000000000 ] - [ 0.0007900500000000, 0.0003951200000000, 0.0013375900000000 ] - [ 0.0009516000000000, -0.0004637100000000, -0.0018947600000000 ] - [ -0.0230652600000000, -0.0105764900000000, 0.0119726600000000 ] - [ 0.0000709100000000, 0.0000561900000000, -0.0015331200000000 ] - [ -0.0006919800000000, 0.0023830500000000, -0.0013084300000000 ] - [ -0.0227534000000000, 0.0105736700000000, 0.0118114900000000 ] - [ 0.0010308700000000, 0.0004909300000000, -0.0020112200000000 ] - [ -0.0006151200000000, -0.0023521700000000, -0.0014289800000000 ] - [ 0.0001470700000000, -0.0000284900000000, -0.0016532300000000 ] - [ 0.1860233900000000, -0.0032045800000000, -0.5504146900000000 ] - [ 0.0001644300000000, 0.0000210600000000, -0.0033892100000000 ] - [ 0.0027112900000000, 0.0000209400000000, -0.0067280900000000 ] - [ 0.0001675000000000, 0.0000211500000000, -0.0024312200000000 ] - [ -0.0144500000000000, -0.0213203500000000, 0.0084824200000000 ] - [ -0.0003741300000000, -0.0002961300000000, -0.0016486400000000 ] - [ 0.0004442000000000, 0.0054084900000000, -0.0014864500000000 ] - [ -0.0003058900000000, 0.0002222300000000, -0.0014806200000000 ] - [ 0.0007274600000000, 0.0007211800000000, 0.0010983700000000 ] - [ -0.0004750100000000, 0.0001913000000000, 0.0011012000000000 ] - [ 0.0006165200000000, -0.0002589900000000, 0.0014335500000000 ] - [ -0.0007474800000000, -0.0003958700000000, 0.0012692100000000 ] - [ -0.0008583300000000, -0.0000193200000000, 0.0046933100000000 ] - [ -0.0007153200000000, -0.0000206900000000, 0.0024524900000000 ] - [ -0.0006566500000000, -0.0000214000000000, 0.0046116200000000 ] - [ -0.0007408800000000, -0.0000212400000000, 0.0024080300000000 ] - [ -0.0028350200000000, -0.0004937900000000, -0.0074484600000000 ] - [ -0.0028252900000000, 0.0005245700000000, -0.0074484400000000 ] - [ -0.0020762500000000, 0.0014797200000000, -0.0074450500000000 ] - [ -0.0020629900000000, -0.0014351600000000, -0.0074507900000000 ] - [ -0.0042311400000000, -0.0014392400000000, 0.0006956000000000 ] - [ 0.0030056100000000, -0.0019629500000000, -0.0015581500000000 ] - [ -0.0026159800000000, 0.0035242800000000, 0.0007971600000000 ] - [ 0.0024238700000000, 0.0015265900000000, -0.0015524600000000 ] - [ 0.0009155100000000, -0.0000009100000000, 0.0041001100000000 ] - [ 0.0009130800000000, -0.0000408900000000, 0.0040974100000000 ] - [ 0.0006752300000000, 0.0000184700000000, 0.0027687600000000 ] - [ 0.0006745000000000, -0.0000599000000000, 0.0027677200000000 ] - [ 0.0005217300000000, -0.0011971300000000, 0.0032024600000000 ] - [ -0.0000270200000000, -0.0001847900000000, 0.0008174500000000 ] - [ 0.0001837600000000, 0.0022971100000000, 0.0037697400000000 ] - [ -0.0000365800000000, 0.0001995600000000, 0.0008264600000000 ] - [ 0.0000427000000000, 0.0000790600000000, 0.0007720600000000 ] - [ 0.0005898000000000, 0.0010985900000000, 0.0031548000000000 ] - [ 0.0000351700000000, -0.0003055600000000, 0.0007798500000000 ] - [ 0.0002490800000000, -0.0024116600000000, 0.0037315900000000 ] - [ 0.0011304900000000, -0.0001081600000000, 0.0016386500000000 ] - [ -0.0020546400000000, -0.0001707900000000, 0.0034400200000000 ] - [ 0.0002139700000000, -0.0001164800000000, 0.0007498700000000 ] - [ -0.0007262800000000, -0.0003016100000000, 0.0015536000000000 ] - [ 0.0030778400000000, 0.0020766900000000, -0.0015261200000000 ] - [ -0.0041588500000000, 0.0015455600000000, 0.0007325900000000 ] - [ 0.0024999500000000, -0.0014240000000000, -0.0015219200000000 ] - [ -0.0025487900000000, -0.0034231700000000, 0.0008377300000000 ] - [ -0.0016212700000000, -0.0001504600000000, -0.0006561400000000 ] - [ 0.0015519400000000, 0.0010217700000000, 0.0319798700000000 ] - [ -0.0010430700000000, -0.0000683500000000, -0.0006581200000000 ] - [ 0.0011958900000000, -0.0003507600000000, -0.0005089400000000 ] - [ 0.0015517700000000, -0.0009250000000000, 0.0325892900000000 ] - [ -0.0016935500000000, 0.0002563500000000, -0.0006144200000000 ] - [ 0.0011232500000000, 0.0004574800000000, -0.0004712100000000 ] - [ -0.0011137700000000, 0.0001750300000000, -0.0006190800000000 ] - [ -0.0019836700000000, 0.0000631000000000, 0.0034868500000000 ] - [ 0.0011907800000000, 0.0000022900000000, 0.0016795100000000 ] - [ -0.0006581400000000, 0.0001935900000000, 0.0015998000000000 ] - [ 0.0002829200000000, 0.0000093300000000, 0.0007949000000000 ] - [ -0.0005491900000000, -0.0002173900000000, 0.0012255900000000 ] - [ 0.0006492000000000, -0.0007461400000000, 0.0012235600000000 ] - [ -0.0008209200000000, 0.0003659300000000, 0.0013935400000000 ] - [ 0.0005396900000000, 0.0002285500000000, 0.0015557600000000 ] - [ 0.0007476700000000, 0.0004557600000000, -0.0026484200000000 ] - [ -0.0006578400000000, 0.0016825500000000, -0.0055608300000000 ] - [ 0.0008265400000000, -0.0001325400000000, -0.0025546200000000 ] - [ -0.0010091500000000, -0.0009687500000000, -0.0054206100000000 ] - [ -0.0023530200000000, 0.0003935300000000, -0.0048511700000000 ] - [ 0.0013853300000000, 0.0004447300000000, -0.0048970800000000 ] - [ -0.0011492000000000, -0.0004401000000000, -0.0026650900000000 ] - [ 0.0004761200000000, -0.0001979600000000, -0.0031978200000000 ] - [ 0.0014443300000000, -0.0003958100000000, -0.0049452600000000 ] - [ -0.0022823500000000, -0.0003451400000000, -0.0048864500000000 ] - [ 0.0005381200000000, 0.0002439000000000, -0.0032457400000000 ] - [ -0.0010839800000000, 0.0004871900000000, -0.0027109300000000 ] - [ 0.0005217900000000, -0.0005452000000000, 0.0037333200000000 ] - [ -0.0663900400000000, 0.0385008900000000, 0.2293839500000000 ] - [ 0.0006027400000000, 0.0001199300000000, 0.0026811900000000 ] - [ -0.0036641300000000, 0.0018320500000000, 0.0057203900000000 ] - [ -0.0606443700000000, -0.0354176200000000, 0.2158332900000000 ] - [ 0.0005798900000000, 0.0004978900000000, 0.0037753600000000 ] - [ -0.0036020900000000, -0.0018846200000000, 0.0057544800000000 ] - [ 0.0006631500000000, -0.0001694000000000, 0.0027228800000000 ] - [ -0.0006850100000000, -0.0007068400000000, 0.0070982900000000 ] - [ 0.0132390700000000, -0.0073384800000000, 0.0071343300000000 ] - [ -0.0010015700000000, 0.0015786200000000, 0.0070547000000000 ] - [ 0.0057508000000000, 0.0158645400000000, 0.0065430800000000 ] - [ 0.0131984300000000, 0.0073100900000000, 0.0071655900000000 ] - [ -0.0007533800000000, 0.0006640600000000, 0.0071209500000000 ] - [ 0.0057041200000000, -0.0158931700000000, 0.0065497300000000 ] - [ -0.0010701200000000, -0.0016316000000000, 0.0070739400000000 ] - [ -0.0005945200000000, -0.0016455900000000, -0.0055176600000000 ] - [ 0.0008105200000000, -0.0004102100000000, -0.0026013400000000 ] - [ -0.0009488800000000, 0.0010238100000000, -0.0053794600000000 ] - [ 0.0008907500000000, 0.0001821800000000, -0.0025066000000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0087682000000000, 0.0002398700000000, 0.0014800500000000 ] - [ -0.0015488000000000, 0.0001047600000000, 0.0000996000000000 ] - [ 0.0004864400000000, -0.0000088000000000, -0.0003573000000000 ] - [ -0.0005886500000000, -0.0000306000000000, 0.0000789900000000 ] - [ 0.0002293600000000, 0.0000042600000000, 0.0001596500000000 ] - [ -0.0002059700000000, 0.0000154100000000, 0.0001589000000000 ] - [ 0.0001668100000000, -0.0000078200000000, 0.0001319400000000 ] - [ -0.0001449000000000, -0.0000023600000000, 0.0001414700000000 ] - [ 0.0217514300000000, 0.0053038400000000, -0.0011644500000000 ] - [ -0.0033601700000000, 0.0010023700000000, -0.0018175200000000 ] - [ 0.0007732200000000, 0.0007162400000000, 0.0002682500000000 ] - [ -0.0006619700000000, -0.0004057200000000, -0.0004142900000000 ] - [ 0.0001124200000000, 0.0000156100000000, 0.0002922300000000 ] - [ -0.0001162000000000, -0.0000001600000000, -0.0000752300000000 ] - [ 0.0000866200000000, -0.0000950500000000, 0.0002137900000000 ] - [ -0.0000796100000000, 0.0000669400000000, -0.0000680200000000 ] - [ 0.0078321700000000, 0.0002680000000000, 0.0000087300000000 ] - [ -0.0016712100000000, 0.0000252400000000, -0.0000431400000000 ] - [ 0.0037798400000000, -0.0017166000000000, -0.0007008100000000 ] - [ -0.0012839000000000, 0.0000525500000000, 0.0000219100000000 ] - [ 0.0003373200000000, -0.0000332900000000, 0.0001402600000000 ] - [ -0.0003205400000000, 0.0000200900000000, 0.0000318800000000 ] - [ 0.0002430600000000, 0.0000089400000000, 0.0001559400000000 ] - [ -0.0002508600000000, 0.0000058500000000, 0.0000283800000000 ] - [ 0.0000542100000000, -0.0007420200000000, -0.0011716100000000 ] - [ -0.0009008300000000, 0.0006594400000000, 0.0010984400000000 ] - [ -0.0001684400000000, 0.0010062900000000, -0.0011663400000000 ] - [ -0.0009212500000000, -0.0009841300000000, 0.0010131900000000 ] - [ 0.0001185400000000, 0.0000257800000000, 0.0000486000000000 ] - [ -0.0001411800000000, -0.0000165700000000, 0.0002556100000000 ] - [ 0.0000962800000000, -0.0000475600000000, 0.0000864000000000 ] - [ -0.0001136300000000, 0.0000380200000000, 0.0002146800000000 ] - [ -0.0010539200000000, 0.0005241600000000, 0.0003142700000000 ] - [ 0.0011129900000000, -0.0004829100000000, -0.0005505500000000 ] - [ -0.0006788700000000, 0.0003065800000000, 0.0002194700000000 ] - [ 0.0007355000000000, -0.0003215100000000, -0.0002804400000000 ] - [ -0.0003262100000000, 0.0001375200000000, -0.0001164500000000 ] - [ 0.0002874400000000, -0.0002654000000000, -0.0002802500000000 ] - [ -0.0002837900000000, 0.0000423000000000, -0.0001808000000000 ] - [ 0.0001597000000000, -0.0000259700000000, -0.0001900600000000 ] - [ -0.0014553200000000, -0.0013414400000000, -0.0010886100000000 ] - [ 0.0012499300000000, 0.0007531000000000, 0.0005651500000000 ] - [ -0.0007542900000000, 0.0005987500000000, -0.0004219800000000 ] - [ 0.0007568700000000, -0.0001152900000000, 0.0003339900000000 ] - [ -0.0009787000000000, -0.0004063000000000, 0.0002158600000000 ] - [ 0.0010714200000000, 0.0004875000000000, -0.0003434300000000 ] - [ -0.0010345100000000, -0.0004384900000000, -0.0000514300000000 ] - [ 0.0008719900000000, 0.0003328400000000, -0.0001934100000000 ] - [ -0.0026064000000000, 0.0047457700000000, -0.0002195600000000 ] - [ 0.0027286400000000, -0.0013726200000000, 0.0003943700000000 ] - [ 0.0040039100000000, -0.0130847900000000, -0.0073019600000000 ] - [ 0.0022969400000000, -0.0001511300000000, 0.0003783800000000 ] - [ 0.0016931600000000, 0.0026730100000000, -0.0041837900000000 ] - [ -0.0003027200000000, -0.0005394800000000, 0.0030493700000000 ] - [ 0.0018636100000000, -0.0006786700000000, -0.0025848600000000 ] - [ -0.0003014600000000, 0.0005005700000000, 0.0024701000000000 ] - [ 0.0258570600000000, 0.0097680700000000, -0.0156019400000000 ] - [ 0.0060396600000000, -0.0000153200000000, 0.0016850800000000 ] - [ -0.0000904300000000, -0.0013930100000000, 0.0002448900000000 ] - [ 0.0016747400000000, 0.0010697600000000, 0.0007993400000000 ] - [ -0.0003142400000000, -0.0001710200000000, -0.0001300100000000 ] - [ 0.0004261300000000, 0.0001473100000000, -0.0002979300000000 ] - [ -0.0001657700000000, -0.0000747000000000, -0.0001454800000000 ] - [ 0.0002700200000000, 0.0000409800000000, -0.0001857800000000 ] - [ 0.0000192200000000, 0.0000455900000000, 0.0011566500000000 ] - [ 0.0002865500000000, -0.0000955000000000, -0.0020213400000000 ] - [ 0.0000001400000000, -0.0000185700000000, 0.0002468900000000 ] - [ 0.0000962600000000, 0.0000195400000000, -0.0006931300000000 ] - [ -0.0075079300000000, -0.0004032300000000, -0.0016458300000000 ] - [ 0.0019946900000000, 0.0000915400000000, 0.0016638600000000 ] - [ -0.0012583600000000, 0.0000944200000000, -0.0011589800000000 ] - [ 0.0010984600000000, -0.0000756200000000, 0.0010821200000000 ] - [ -0.2096331600000000, 0.0528577900000000, 0.1476381000000000 ] - [ 0.0034660600000000, -0.0000041500000000, -0.0003849500000000 ] - [ -0.0024587100000000, 0.0002265400000000, 0.0009074900000000 ] - [ 0.0016284100000000, -0.0000683400000000, -0.0002480600000000 ] - [ -0.0006799700000000, -0.0000993100000000, -0.0002146100000000 ] - [ 0.0004317900000000, -0.0000470500000000, -0.0000015000000000 ] - [ -0.0006545200000000, 0.0003231600000000, -0.0005556300000000 ] - [ 0.0003737600000000, -0.0000628400000000, -0.0000116300000000 ] - [ 0.0023407200000000, -0.0000728000000000, 0.0035644000000000 ] - [ 0.0023482800000000, 0.0000525100000000, -0.0039524000000000 ] - [ 0.0000418700000000, 0.0001929600000000, 0.0007943800000000 ] - [ 0.0000361800000000, -0.0003310700000000, -0.0008998100000000 ] - [ -0.0000301700000000, -0.0000241000000000, -0.0003822300000000 ] - [ 0.0000439900000000, -0.0000596200000000, -0.0000982700000000 ] - [ -0.0000349000000000, -0.0000604400000000, -0.0001731400000000 ] - [ 0.0000559100000000, 0.0000038800000000, -0.0002042600000000 ] - [ -0.0002970700000000, -0.0000636500000000, -0.0001323400000000 ] - [ 0.0002854100000000, -0.0000300100000000, -0.0002376300000000 ] - [ -0.0002493600000000, -0.0000469100000000, -0.0002028800000000 ] - [ 0.0002401800000000, -0.0000068500000000, -0.0002209900000000 ] - [ -0.0004744200000000, 0.0000225400000000, -0.0001858700000000 ] - [ 0.0006482700000000, 0.0000949800000000, -0.0000228500000000 ] - [ -0.0003953300000000, -0.0000022300000000, -0.0002173200000000 ] - [ 0.0005139200000000, 0.0001447800000000, -0.0000336300000000 ] - [ 0.0040013000000000, -0.0069146800000000, 0.0006441900000000 ] - [ 0.0022905600000000, 0.0030358400000000, 0.0015327700000000 ] - [ 0.0040006500000000, 0.0065412400000000, 0.0011594000000000 ] - [ 0.0022954500000000, -0.0012562500000000, 0.0008149600000000 ] - [ -0.0000968300000000, 0.0001455900000000, -0.0009345500000000 ] - [ -0.0000375900000000, 0.0000068300000000, 0.0005556100000000 ] - [ -0.0000344200000000, 0.0000268300000000, -0.0006609200000000 ] - [ -0.0001001200000000, 0.0000728100000000, 0.0003978800000000 ] - [ -0.0030592700000000, 0.0014413500000000, 0.0022146300000000 ] - [ 0.0014906600000000, -0.0003434000000000, -0.0004082700000000 ] - [ -0.0020067800000000, -0.0001610700000000, 0.0011374500000000 ] - [ 0.0013296100000000, 0.0000776700000000, -0.0003766000000000 ] - [ -0.0019857500000000, 0.0013931000000000, -0.0022757700000000 ] - [ 0.0016184200000000, -0.0005103600000000, 0.0002675600000000 ] - [ -0.0010729400000000, 0.0002988400000000, 0.0001513900000000 ] - [ 0.0006464400000000, -0.0001849500000000, 0.0000323700000000 ] - [ 0.0008427600000000, 0.0009402500000000, 0.0055256400000000 ] - [ -0.0024479900000000, -0.0007345900000000, -0.0024564800000000 ] - [ 0.0007153600000000, -0.0003414800000000, 0.0010071400000000 ] - [ -0.0007263400000000, 0.0000564700000000, -0.0006761700000000 ] - [ 0.0004577300000000, 0.0000369900000000, 0.0004007400000000 ] - [ -0.0006053300000000, 0.0000615000000000, 0.0002065400000000 ] - [ 0.0005202300000000, 0.0001487200000000, 0.0005971500000000 ] - [ -0.0005399400000000, -0.0001663700000000, 0.0002295900000000 ] - [ 0.0033957100000000, 0.0008140100000000, 0.0000027700000000 ] - [ -0.0017941900000000, -0.0000059900000000, 0.0002376700000000 ] - [ 0.0028660100000000, -0.0023729000000000, 0.0002207600000000 ] - [ -0.0017004800000000, 0.0004964600000000, 0.0002241700000000 ] - [ 0.0014094900000000, -0.0001459300000000, -0.0025986100000000 ] - [ -0.0018360600000000, 0.0001695800000000, 0.0035835600000000 ] - [ 0.0014169300000000, -0.0003241000000000, -0.0018916300000000 ] - [ -0.0012879700000000, 0.0003852000000000, 0.0023552000000000 ] - [ -0.0026672600000000, -0.0174227800000000, 0.0016186700000000 ] - [ -0.0056661300000000, 0.0038196800000000, -0.0050250800000000 ] - [ -0.0068469600000000, 0.0044296400000000, 0.0004558500000000 ] - [ -0.0032288100000000, -0.0020953000000000, -0.0043446600000000 ] - [ 0.0020517000000000, -0.0000677800000000, 0.0013209600000000 ] - [ -0.0019904900000000, -0.0000556400000000, -0.0006555300000000 ] - [ 0.0014868000000000, 0.0003669500000000, 0.0009243400000000 ] - [ -0.0014677500000000, -0.0004729500000000, -0.0005475200000000 ] - [ 0.1469997300000000, -0.0490970300000000, -0.1236334800000000 ] - [ -0.0066608300000000, -0.0011783100000000, -0.0007666500000000 ] - [ 0.0037694100000000, -0.0012979900000000, -0.0003574600000000 ] - [ -0.0031690000000000, 0.0008969600000000, -0.0004461200000000 ] - [ 0.0005937800000000, -0.0000411500000000, -0.0003815500000000 ] - [ -0.0006197400000000, 0.0001983700000000, 0.0013534500000000 ] - [ 0.0003116400000000, -0.0000443600000000, 0.0000378700000000 ] - [ -0.0002484400000000, 0.0000375400000000, 0.0006003900000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0088243600000000, -0.0002526800000000, -0.0017825700000000 ] - [ 0.0015322400000000, -0.0001059300000000, -0.0001652900000000 ] - [ -0.0004974700000000, 0.0000068400000000, 0.0002881800000000 ] - [ 0.0005775900000000, 0.0000275600000000, -0.0001547900000000 ] - [ -0.0002167800000000, -0.0000031000000000, -0.0000913600000000 ] - [ 0.0002105200000000, -0.0000087500000000, -0.0000959900000000 ] - [ -0.0001505500000000, 0.0000091000000000, -0.0000621200000000 ] - [ 0.0001517600000000, 0.0000104700000000, -0.0000784300000000 ] - [ -0.0201567600000000, -0.0048248400000000, 0.0009781300000000 ] - [ 0.0033650200000000, -0.0010104600000000, 0.0018997700000000 ] - [ -0.0007807800000000, -0.0007133300000000, -0.0001934600000000 ] - [ 0.0006510300000000, 0.0004046500000000, 0.0004790800000000 ] - [ -0.0001106400000000, -0.0000213300000000, -0.0003574200000000 ] - [ 0.0001257500000000, -0.0000057000000000, 0.0000128000000000 ] - [ -0.0000750700000000, 0.0000943100000000, -0.0002798800000000 ] - [ 0.0000897100000000, -0.0000723500000000, 0.0000052600000000 ] - [ -0.0078199500000000, -0.0002206500000000, 0.0000445600000000 ] - [ 0.0016826000000000, -0.0000239600000000, 0.0001122400000000 ] - [ -0.0037567800000000, 0.0017413200000000, 0.0007620500000000 ] - [ 0.0012969000000000, -0.0000504900000000, 0.0000537900000000 ] - [ -0.0003479700000000, 0.0000215200000000, -0.0002041400000000 ] - [ 0.0003135800000000, -0.0000192900000000, -0.0000952000000000 ] - [ -0.0002579700000000, -0.0000056100000000, -0.0002257700000000 ] - [ 0.0002422500000000, -0.0000100500000000, -0.0000910900000000 ] - [ -0.0000526700000000, 0.0007426700000000, 0.0011132000000000 ] - [ 0.0009195600000000, -0.0006553700000000, -0.0011687300000000 ] - [ 0.0001695400000000, -0.0010093100000000, 0.0010973900000000 ] - [ 0.0009323700000000, 0.0009770800000000, -0.0010773700000000 ] - [ -0.0001270600000000, -0.0000239900000000, 0.0000184200000000 ] - [ 0.0001294200000000, 0.0000191600000000, -0.0001893100000000 ] - [ -0.0001009400000000, 0.0000522300000000, -0.0000209900000000 ] - [ 0.0001025700000000, -0.0000348500000000, -0.0001477300000000 ] - [ 0.0011085700000000, -0.0004885000000000, -0.0001979200000000 ] - [ -0.0010328100000000, 0.0005118400000000, 0.0006798700000000 ] - [ 0.0007513200000000, -0.0002807900000000, -0.0000948100000000 ] - [ -0.0006587100000000, 0.0003442900000000, 0.0004047500000000 ] - [ 0.0002516300000000, -0.0001660800000000, -0.0000085400000000 ] - [ -0.0003669800000000, 0.0002374300000000, 0.0001537000000000 ] - [ 0.0002082700000000, -0.0000700300000000, 0.0000558700000000 ] - [ -0.0002382200000000, -0.0000002000000000, 0.0000645500000000 ] - [ 0.0015184300000000, 0.0013069300000000, 0.0012056800000000 ] - [ -0.0011695900000000, -0.0007818300000000, -0.0004423400000000 ] - [ 0.0008238900000000, -0.0006259000000000, 0.0005449400000000 ] - [ -0.0006765800000000, 0.0000903800000000, -0.0002095700000000 ] - [ 0.0009005800000000, 0.0004369800000000, -0.0000927800000000 ] - [ -0.0011504300000000, -0.0004619000000000, 0.0004710600000000 ] - [ 0.0009411900000000, 0.0004479300000000, 0.0001666900000000 ] - [ -0.0009444000000000, -0.0003009000000000, 0.0003191000000000 ] - [ 0.0027108600000000, -0.0047132500000000, 0.0000924700000000 ] - [ -0.0026524500000000, 0.0013934500000000, -0.0005161000000000 ] - [ -0.0038370100000000, 0.0131732400000000, 0.0072358900000000 ] - [ -0.0022226100000000, 0.0001843400000000, -0.0004984400000000 ] - [ -0.0016948200000000, -0.0026539200000000, 0.0042084200000000 ] - [ 0.0002934600000000, 0.0005807700000000, -0.0030342500000000 ] - [ -0.0018543600000000, 0.0007217200000000, 0.0025791400000000 ] - [ 0.0002933800000000, -0.0004563100000000, -0.0024558200000000 ] - [ -0.0264081000000000, -0.0098707100000000, 0.0157966000000000 ] - [ -0.0060776600000000, 0.0000336000000000, -0.0017968100000000 ] - [ 0.0000203300000000, 0.0014191400000000, -0.0003676100000000 ] - [ -0.0017525400000000, -0.0010401000000000, -0.0009206700000000 ] - [ 0.0003930400000000, 0.0001431100000000, 0.0000035900000000 ] - [ -0.0003521900000000, -0.0001734000000000, 0.0001736000000000 ] - [ 0.0002419500000000, 0.0000495100000000, 0.0000213200000000 ] - [ -0.0001959100000000, -0.0000693900000000, 0.0000621700000000 ] - [ -0.0000173600000000, -0.0000890100000000, -0.0011625500000000 ] - [ -0.0002894400000000, 0.0000520700000000, 0.0020134400000000 ] - [ 0.0000015600000000, -0.0000244300000000, -0.0002493000000000 ] - [ -0.0000981400000000, -0.0000627200000000, 0.0006915500000000 ] - [ 0.0075449500000000, 0.0004162300000000, 0.0014558000000000 ] - [ -0.0019901800000000, -0.0000449400000000, -0.0016515500000000 ] - [ 0.0012571900000000, -0.0000505100000000, 0.0011584300000000 ] - [ -0.0010969300000000, 0.0001174000000000, -0.0010773300000000 ] - [ 0.2108988900000000, -0.0555789900000000, -0.1531552800000000 ] - [ -0.0035329400000000, 0.0001143600000000, 0.0003382200000000 ] - [ 0.0023852600000000, -0.0001168300000000, -0.0009525600000000 ] - [ -0.0017025000000000, 0.0001746100000000, 0.0002085900000000 ] - [ 0.0006769600000000, 0.0000558700000000, 0.0002170600000000 ] - [ -0.0004318600000000, 0.0000036200000000, -0.0000009700000000 ] - [ 0.0006521400000000, -0.0003649300000000, 0.0005555200000000 ] - [ -0.0003734600000000, 0.0000205500000000, 0.0000081900000000 ] - [ -0.0024138900000000, -0.0000315900000000, -0.0035349700000000 ] - [ -0.0024084500000000, -0.0001560100000000, 0.0039669400000000 ] - [ -0.0001057000000000, -0.0002968000000000, -0.0007535900000000 ] - [ -0.0001134000000000, 0.0002247900000000, 0.0009411200000000 ] - [ 0.0000957500000000, -0.0000818300000000, 0.0003381700000000 ] - [ 0.0000335800000000, -0.0000447800000000, 0.0000553700000000 ] - [ 0.0001055500000000, -0.0000435000000000, 0.0001298500000000 ] - [ 0.0000179300000000, -0.0001109500000000, 0.0001649000000000 ] - [ 0.0002283100000000, -0.0000393400000000, 0.0000900300000000 ] - [ -0.0003572000000000, -0.0000787000000000, 0.0001935200000000 ] - [ 0.0001767300000000, -0.0000594100000000, 0.0001576500000000 ] - [ -0.0003099200000000, -0.0000998700000000, 0.0001780100000000 ] - [ 0.0005456600000000, 0.0000896400000000, 0.0002007700000000 ] - [ -0.0005771800000000, 0.0000083600000000, 0.0000656600000000 ] - [ 0.0004709200000000, 0.0001075600000000, 0.0002574300000000 ] - [ -0.0004436600000000, -0.0000396100000000, 0.0000756400000000 ] - [ -0.0039253700000000, 0.0069648900000000, -0.0006889800000000 ] - [ -0.0022143000000000, -0.0029461100000000, -0.0015849800000000 ] - [ -0.0039257200000000, -0.0064036500000000, -0.0012003600000000 ] - [ -0.0022088000000000, 0.0013689200000000, -0.0008522500000000 ] - [ 0.0000256500000000, -0.0000369100000000, 0.0009786400000000 ] - [ -0.0000358600000000, 0.0001015700000000, -0.0005107400000000 ] - [ -0.0000313400000000, 0.0000767100000000, 0.0007046200000000 ] - [ 0.0000210600000000, 0.0000351800000000, -0.0003585300000000 ] - [ 0.0031274600000000, -0.0015351900000000, -0.0021480800000000 ] - [ -0.0014156400000000, 0.0002329500000000, 0.0004452400000000 ] - [ 0.0020746400000000, 0.0000468200000000, -0.0010838500000000 ] - [ -0.0012559500000000, -0.0001839900000000, 0.0004142300000000 ] - [ 0.0018905800000000, -0.0014115100000000, 0.0023947300000000 ] - [ -0.0016935000000000, 0.0004832800000000, -0.0001462900000000 ] - [ 0.0009879700000000, -0.0003237600000000, -0.0000264300000000 ] - [ -0.0007189600000000, 0.0001557500000000, 0.0000895000000000 ] - [ -0.0008888000000000, -0.0008930500000000, -0.0055352700000000 ] - [ 0.0023829400000000, 0.0007854800000000, 0.0024155800000000 ] - [ -0.0007701800000000, 0.0003886500000000, -0.0010522500000000 ] - [ 0.0006580300000000, -0.0000109300000000, 0.0006306100000000 ] - [ -0.0005215900000000, 0.0000082500000000, -0.0003536200000000 ] - [ 0.0005440900000000, -0.0000140000000000, -0.0001567400000000 ] - [ -0.0005832800000000, -0.0001004900000000, -0.0005466500000000 ] - [ 0.0004776700000000, 0.0002116400000000, -0.0001802900000000 ] - [ -0.0033065800000000, -0.0007635900000000, -0.0000605200000000 ] - [ 0.0018506300000000, 0.0000569100000000, -0.0002784900000000 ] - [ -0.0027881500000000, 0.0024147500000000, -0.0002767700000000 ] - [ 0.0017576800000000, -0.0004515200000000, -0.0002639700000000 ] - [ -0.0014590800000000, 0.0000869000000000, 0.0025424700000000 ] - [ 0.0017744300000000, -0.0002195300000000, -0.0036456200000000 ] - [ -0.0014567100000000, 0.0002843300000000, 0.0018374100000000 ] - [ 0.0012149000000000, -0.0004280200000000, -0.0024016200000000 ] - [ 0.0026885900000000, 0.0174792000000000, -0.0015672600000000 ] - [ 0.0057245600000000, -0.0038242300000000, 0.0050538000000000 ] - [ 0.0068765300000000, -0.0044721900000000, -0.0004149300000000 ] - [ 0.0032957600000000, 0.0020335800000000, 0.0043772900000000 ] - [ -0.0019279000000000, 0.0000348200000000, -0.0012850300000000 ] - [ 0.0020490200000000, 0.0000037600000000, 0.0005964000000000 ] - [ -0.0014231300000000, -0.0004142100000000, -0.0009686600000000 ] - [ 0.0015288800000000, 0.0004264900000000, 0.0004954200000000 ] - [ -0.1496843700000000, 0.0513590100000000, 0.1294125300000000 ] - [ 0.0065809000000000, 0.0011181700000000, 0.0008046200000000 ] - [ -0.0038302500000000, 0.0012418400000000, 0.0004073300000000 ] - [ 0.0031080700000000, -0.0009389500000000, 0.0004874800000000 ] - [ -0.0005363600000000, 0.0000894500000000, 0.0004324900000000 ] - [ 0.0006829000000000, -0.0001493100000000, -0.0013001500000000 ] - [ -0.0002518500000000, 0.0000944400000000, 0.0000079000000000 ] - [ 0.0003133800000000, 0.0000107800000000, -0.0005507200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004663300000000, 0.0070643600000000, -0.0002964000000000 ] - [ 0.0000610500000000, 0.0002973000000000, -0.0000670300000000 ] - [ -0.0001252900000000, -0.0017314700000000, 0.0000811600000000 ] - [ 0.0000563000000000, -0.0003208800000000, 0.0000525800000000 ] - [ -0.0000450300000000, 0.0001474600000000, -0.0000799600000000 ] - [ 0.0000071000000000, 0.0000645100000000, -0.0000093000000000 ] - [ 0.0000156300000000, -0.0001320100000000, -0.0000362400000000 ] - [ 0.0000210100000000, -0.0000570800000000, -0.0000348000000000 ] - [ 0.0039662200000000, 0.0072811900000000, -0.0001047000000000 ] - [ 0.0000770800000000, 0.0012663300000000, -0.0002360900000000 ] - [ 0.0000639300000000, -0.0020988300000000, 0.0000351700000000 ] - [ 0.0000561800000000, -0.0008365300000000, 0.0002435300000000 ] - [ 0.0000889000000000, 0.0001858800000000, -0.0001283500000000 ] - [ -0.0000016600000000, 0.0001439800000000, -0.0000858200000000 ] - [ -0.0000385300000000, -0.0001735300000000, -0.0001157500000000 ] - [ 0.0000125300000000, -0.0001584800000000, -0.0000658100000000 ] - [ -0.0000951600000000, 0.0147187700000000, 0.0008295800000000 ] - [ -0.0000885800000000, 0.0001178200000000, -0.0000737500000000 ] - [ -0.0011344700000000, -0.0079203900000000, 0.0017759500000000 ] - [ 0.0003451400000000, -0.0001659400000000, 0.0002366400000000 ] - [ -0.0000337200000000, 0.0001278100000000, -0.0000530600000000 ] - [ 0.0000502200000000, 0.0000375800000000, -0.0000095100000000 ] - [ -0.0000567800000000, -0.0001082900000000, -0.0002348300000000 ] - [ -0.0000031600000000, -0.0000490700000000, -0.0001487800000000 ] - [ -0.0014246200000000, -0.0004953200000000, -0.0003981300000000 ] - [ 0.0008761800000000, -0.0002417300000000, -0.0009772100000000 ] - [ 0.0010997100000000, -0.0000659200000000, 0.0010266000000000 ] - [ -0.0006693900000000, 0.0001061000000000, 0.0009776800000000 ] - [ 0.0000294600000000, -0.0000131100000000, 0.0000168500000000 ] - [ -0.0000421000000000, -0.0000262400000000, 0.0000078000000000 ] - [ -0.0000348100000000, 0.0000133800000000, -0.0000668500000000 ] - [ 0.0000484200000000, 0.0000254300000000, -0.0001050300000000 ] - [ 0.0005660600000000, -0.0007159300000000, 0.0000037500000000 ] - [ 0.0001706700000000, -0.0004525700000000, -0.0001139100000000 ] - [ -0.0001533200000000, 0.0005747600000000, 0.0002033600000000 ] - [ -0.0003369000000000, 0.0007195300000000, 0.0004047000000000 ] - [ 0.0002043600000000, -0.0002237200000000, 0.0001517200000000 ] - [ -0.0000689500000000, -0.0000950000000000, 0.0000047000000000 ] - [ -0.0001468600000000, 0.0001565000000000, -0.0000752300000000 ] - [ -0.0000759300000000, 0.0000962100000000, -0.0000092400000000 ] - [ -0.0011557500000000, -0.0010136500000000, 0.0012016000000000 ] - [ 0.0001948900000000, -0.0003259800000000, 0.0002173700000000 ] - [ 0.0007967800000000, 0.0009554600000000, -0.0005412100000000 ] - [ -0.0000385800000000, 0.0002830800000000, -0.0001518800000000 ] - [ 0.0001444600000000, 0.0002934700000000, -0.0002539700000000 ] - [ 0.0001075800000000, 0.0002743700000000, -0.0001151400000000 ] - [ -0.0000525300000000, -0.0002632200000000, 0.0004532300000000 ] - [ -0.0005720100000000, -0.0004311300000000, 0.0004741500000000 ] - [ 0.0034427400000000, 0.0066025600000000, -0.0021778400000000 ] - [ -0.0016279000000000, 0.0009548400000000, -0.0006859500000000 ] - [ -0.0227754800000000, 0.0197358400000000, 0.0129967400000000 ] - [ 0.0012833400000000, -0.0010025100000000, 0.0004133900000000 ] - [ 0.0008690900000000, -0.0000113200000000, -0.0014980900000000 ] - [ -0.0003312400000000, -0.0000819200000000, -0.0020134900000000 ] - [ -0.0030490700000000, 0.0006627200000000, 0.0034836000000000 ] - [ 0.0003843200000000, 0.0003636500000000, 0.0014797700000000 ] - [ 0.0074007200000000, -0.0071182300000000, -0.0032233000000000 ] - [ -0.0014529900000000, -0.0023141500000000, -0.0004359400000000 ] - [ 0.0000964100000000, 0.0053030900000000, -0.0004185300000000 ] - [ 0.0009653000000000, 0.0024347200000000, 0.0003949100000000 ] - [ -0.0000940600000000, -0.0003082100000000, -0.0000588300000000 ] - [ -0.0000255500000000, -0.0001168500000000, -0.0000253800000000 ] - [ 0.0002490100000000, 0.0003703200000000, 0.0001438900000000 ] - [ 0.0000272000000000, 0.0000740600000000, 0.0000133000000000 ] - [ 0.0000041300000000, -0.0002186900000000, 0.0000581700000000 ] - [ 0.0000534900000000, -0.0004361700000000, 0.0001175200000000 ] - [ 0.0000416300000000, 0.0001912500000000, 0.0000626800000000 ] - [ -0.0001576600000000, 0.0003087300000000, 0.0002454200000000 ] - [ -0.0003919600000000, -0.0064344900000000, 0.0009091700000000 ] - [ -0.0001566900000000, -0.0004588000000000, -0.0002037300000000 ] - [ -0.0000401400000000, 0.0015651700000000, -0.0003968500000000 ] - [ -0.0000519000000000, 0.0004777600000000, -0.0001182200000000 ] - [ 0.0543088700000000, -0.1033723300000000, -0.0773511600000000 ] - [ -0.0000916700000000, -0.0007342000000000, -0.0000156300000000 ] - [ 0.0001369400000000, 0.0037643800000000, -0.0001210300000000 ] - [ -0.0001580200000000, 0.0008300300000000, -0.0000667100000000 ] - [ 0.0000242700000000, 0.0000703700000000, 0.0023467900000000 ] - [ 0.0000243200000000, 0.0000204000000000, 0.0002526900000000 ] - [ 0.0000115100000000, -0.0001291600000000, -0.0011508000000000 ] - [ -0.0000325000000000, -0.0000562900000000, -0.0001324800000000 ] - [ -0.0001347500000000, -0.0015761400000000, -0.0003361500000000 ] - [ -0.0000173900000000, -0.0015730200000000, -0.0002592500000000 ] - [ 0.0002414900000000, 0.0010832800000000, -0.0000219900000000 ] - [ -0.0002823000000000, 0.0010803600000000, 0.0002538500000000 ] - [ 0.0000624400000000, -0.0001919200000000, 0.0000887800000000 ] - [ 0.0000317400000000, -0.0002149600000000, 0.0001022700000000 ] - [ 0.0000282300000000, 0.0000765600000000, 0.0000659200000000 ] - [ 0.0000947900000000, 0.0000748500000000, 0.0000866200000000 ] - [ -0.0000225600000000, -0.0001195100000000, 0.0003856700000000 ] - [ -0.0000608900000000, -0.0000687400000000, 0.0000538300000000 ] - [ -0.0000425200000000, -0.0000052700000000, -0.0000628400000000 ] - [ -0.0000816700000000, -0.0000526400000000, 0.0000713300000000 ] - [ 0.0000679400000000, -0.0001241100000000, 0.0004950200000000 ] - [ -0.0000067700000000, -0.0001744900000000, 0.0000618700000000 ] - [ 0.0000927800000000, 0.0003424500000000, 0.0000540800000000 ] - [ -0.0000562500000000, 0.0002387300000000, 0.0000793900000000 ] - [ -0.0064111700000000, 0.0046732800000000, -0.0009153100000000 ] - [ 0.0013510000000000, 0.0003654500000000, 0.0001525000000000 ] - [ 0.0070054400000000, 0.0047028800000000, 0.0007851200000000 ] - [ -0.0029596500000000, 0.0003493700000000, -0.0012106800000000 ] - [ -0.0000184000000000, 0.0000590500000000, -0.0001862500000000 ] - [ -0.0000609700000000, 0.0000307000000000, -0.0003393400000000 ] - [ -0.0000806300000000, 0.0000262500000000, 0.0006363500000000 ] - [ 0.0000532500000000, 0.0000567600000000, 0.0004215700000000 ] - [ 0.0015109400000000, 0.0048991200000000, 0.0080929200000000 ] - [ -0.0002488100000000, -0.0000667500000000, 0.0002978700000000 ] - [ -0.0000723900000000, 0.0020427700000000, -0.0035081600000000 ] - [ 0.0001676100000000, -0.0000488600000000, -0.0003399300000000 ] - [ 0.0009254100000000, -0.0020997800000000, -0.0012612600000000 ] - [ 0.0000391200000000, -0.0003143900000000, 0.0000021200000000 ] - [ -0.0012149500000000, 0.0021747800000000, 0.0005570500000000 ] - [ -0.0001210600000000, 0.0002909600000000, 0.0001122000000000 ] - [ -0.0001478100000000, 0.0031777000000000, -0.0007071800000000 ] - [ -0.0002479000000000, 0.0008104000000000, -0.0000274300000000 ] - [ 0.0004142600000000, -0.0020444800000000, -0.0001319700000000 ] - [ -0.0000381600000000, -0.0007807200000000, -0.0000671400000000 ] - [ -0.0006223100000000, -0.0002679100000000, -0.0012858000000000 ] - [ -0.0000088800000000, -0.0000543400000000, -0.0001950700000000 ] - [ 0.0002991600000000, 0.0002048700000000, 0.0004977900000000 ] - [ 0.0000677700000000, 0.0001090300000000, 0.0000015800000000 ] - [ 0.0033719000000000, -0.0019392700000000, -0.0047166500000000 ] - [ 0.0000731200000000, -0.0003088600000000, -0.0004133900000000 ] - [ -0.0019254200000000, 0.0006320400000000, 0.0035548100000000 ] - [ 0.0000282700000000, 0.0003376900000000, 0.0003607600000000 ] - [ -0.0005141300000000, 0.0006289700000000, 0.0016713000000000 ] - [ -0.0004558700000000, 0.0002614900000000, 0.0010786600000000 ] - [ 0.0000104200000000, -0.0006524200000000, -0.0013735900000000 ] - [ 0.0008732000000000, -0.0005401500000000, -0.0023813400000000 ] - [ -0.0056176400000000, -0.0007102500000000, 0.0023365500000000 ] - [ 0.0055102400000000, 0.0013808300000000, 0.0042295800000000 ] - [ 0.0115337200000000, -0.0061955000000000, -0.0001192600000000 ] - [ -0.0035418300000000, -0.0019587100000000, -0.0035626200000000 ] - [ -0.0007565700000000, 0.0002128300000000, -0.0015092500000000 ] - [ 0.0000934600000000, 0.0007977500000000, 0.0000396200000000 ] - [ 0.0000827300000000, -0.0009326700000000, 0.0001744800000000 ] - [ 0.0004096300000000, -0.0006882400000000, 0.0000419200000000 ] - [ -0.0495566900000000, 0.0631829200000000, 0.0611627600000000 ] - [ 0.0005019700000000, 0.0022099100000000, 0.0001640300000000 ] - [ -0.0006518400000000, -0.0085603100000000, 0.0005620200000000 ] - [ -0.0001402700000000, -0.0021571200000000, 0.0002387300000000 ] - [ 0.0000280800000000, 0.0004816500000000, -0.0002020400000000 ] - [ 0.0001018300000000, 0.0002534700000000, -0.0001859200000000 ] - [ -0.0001271900000000, -0.0003887600000000, -0.0001003800000000 ] - [ 0.0000878600000000, -0.0002107000000000, -0.0001849800000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004822900000000, -0.0070677500000000, 0.0002446500000000 ] - [ -0.0000713700000000, -0.0002986900000000, 0.0000005200000000 ] - [ 0.0001179800000000, 0.0017316000000000, -0.0001454100000000 ] - [ -0.0000647000000000, 0.0003206700000000, -0.0001259200000000 ] - [ 0.0000561600000000, -0.0001478000000000, 0.0001476100000000 ] - [ -0.0000018200000000, -0.0000558300000000, 0.0000734200000000 ] - [ 0.0000018700000000, 0.0001322000000000, 0.0001050400000000 ] - [ -0.0000139300000000, 0.0000634500000000, 0.0000983600000000 ] - [ -0.0039604300000000, -0.0073483900000000, 0.0001517400000000 ] - [ -0.0000964600000000, -0.0012548800000000, 0.0002963200000000 ] - [ -0.0000778200000000, 0.0021088800000000, 0.0000396300000000 ] - [ -0.0000633900000000, 0.0008302800000000, -0.0001769900000000 ] - [ -0.0000855600000000, -0.0001894100000000, 0.0000653300000000 ] - [ 0.0000090700000000, -0.0001485300000000, 0.0000223300000000 ] - [ 0.0000545200000000, 0.0001720700000000, 0.0000455900000000 ] - [ -0.0000041100000000, 0.0001523900000000, 0.0000028100000000 ] - [ 0.0002048300000000, -0.0161914600000000, -0.0009790100000000 ] - [ 0.0000940500000000, -0.0001237800000000, 0.0001379500000000 ] - [ 0.0011365200000000, 0.0078724400000000, -0.0016998700000000 ] - [ -0.0003337900000000, 0.0001684600000000, -0.0001626800000000 ] - [ 0.0000259000000000, -0.0001390100000000, -0.0000102900000000 ] - [ -0.0000575500000000, -0.0000391100000000, -0.0000544700000000 ] - [ 0.0000406700000000, 0.0001132400000000, 0.0001645300000000 ] - [ -0.0000062000000000, 0.0000461300000000, 0.0000861300000000 ] - [ 0.0014380700000000, 0.0004922400000000, 0.0003331500000000 ] - [ -0.0008633700000000, 0.0002389100000000, 0.0009093100000000 ] - [ -0.0010893300000000, 0.0000720600000000, -0.0010913800000000 ] - [ 0.0006766900000000, -0.0001007000000000, -0.0010408300000000 ] - [ -0.0000377800000000, 0.0000146300000000, 0.0000500000000000 ] - [ 0.0000301500000000, 0.0000272300000000, 0.0000640500000000 ] - [ 0.0000296500000000, -0.0000099800000000, 0.0001325500000000 ] - [ -0.0000574800000000, -0.0000215700000000, 0.0001719500000000 ] - [ -0.0005074600000000, 0.0007508400000000, 0.0001128200000000 ] - [ -0.0000892400000000, 0.0004791200000000, 0.0002364700000000 ] - [ 0.0002286500000000, -0.0005511300000000, -0.0000767000000000 ] - [ 0.0004089400000000, -0.0006927200000000, -0.0002790300000000 ] - [ -0.0002811600000000, 0.0001977000000000, -0.0002775600000000 ] - [ -0.0000096900000000, 0.0000682100000000, -0.0001310900000000 ] - [ 0.0000709600000000, -0.0001842000000000, -0.0000503600000000 ] - [ -0.0000004000000000, -0.0001231900000000, -0.0001165400000000 ] - [ 0.0012306000000000, 0.0009931800000000, -0.0010846200000000 ] - [ -0.0001153800000000, 0.0003030200000000, -0.0000914500000000 ] - [ -0.0007218800000000, -0.0009864800000000, 0.0006627200000000 ] - [ 0.0001134300000000, -0.0003120300000000, 0.0002757600000000 ] - [ -0.0002177900000000, -0.0002619800000000, 0.0003800200000000 ] - [ -0.0001816400000000, -0.0002445900000000, 0.0002392100000000 ] - [ -0.0000348600000000, 0.0002743800000000, -0.0003341100000000 ] - [ 0.0004951300000000, 0.0004563900000000, -0.0003476700000000 ] - [ -0.0034166800000000, -0.0066083800000000, 0.0020798900000000 ] - [ 0.0017097900000000, -0.0009260600000000, 0.0005672800000000 ] - [ 0.0225693600000000, -0.0194580800000000, -0.0129161000000000 ] - [ -0.0012045200000000, 0.0010217000000000, -0.0005330500000000 ] - [ -0.0008674900000000, 0.0000731900000000, 0.0014880300000000 ] - [ 0.0003302800000000, 0.0001300400000000, 0.0020255600000000 ] - [ 0.0030293100000000, -0.0006219500000000, -0.0034610900000000 ] - [ -0.0003874200000000, -0.0003224400000000, -0.0014699100000000 ] - [ -0.0073754100000000, 0.0072191900000000, 0.0030444400000000 ] - [ 0.0013732300000000, 0.0023497200000000, 0.0003112400000000 ] - [ -0.0001816500000000, -0.0052707600000000, 0.0002928700000000 ] - [ -0.0010392700000000, -0.0024050900000000, -0.0005158400000000 ] - [ 0.0001703200000000, 0.0002794800000000, -0.0000675700000000 ] - [ 0.0000981200000000, 0.0000913000000000, -0.0000981800000000 ] - [ -0.0001756300000000, -0.0003959700000000, -0.0002695300000000 ] - [ 0.0000468300000000, -0.0001012400000000, -0.0001373000000000 ] - [ -0.0000040000000000, 0.0001766200000000, -0.0000549100000000 ] - [ -0.0000541300000000, 0.0003947800000000, -0.0001170500000000 ] - [ -0.0000418900000000, -0.0002346400000000, -0.0000656900000000 ] - [ 0.0001588500000000, -0.0003521100000000, -0.0002504900000000 ] - [ 0.0003933900000000, 0.0064382200000000, -0.0010356900000000 ] - [ 0.0001582700000000, 0.0005002100000000, 0.0002030300000000 ] - [ 0.0000439900000000, -0.0015224700000000, 0.0004119800000000 ] - [ 0.0000536600000000, -0.0004344900000000, 0.0001227700000000 ] - [ -0.0541128600000000, 0.1057382800000000, 0.0771389300000000 ] - [ 0.0000275900000000, 0.0008402300000000, -0.0000274800000000 ] - [ -0.0002037600000000, -0.0036562200000000, 0.0000751000000000 ] - [ 0.0000840600000000, -0.0007210800000000, 0.0000257600000000 ] - [ -0.0000258800000000, -0.0001119500000000, -0.0023597800000000 ] - [ -0.0000238400000000, -0.0000624000000000, -0.0002526800000000 ] - [ -0.0000128500000000, 0.0000837900000000, 0.0011439600000000 ] - [ 0.0000329800000000, 0.0000127600000000, 0.0001311700000000 ] - [ 0.0000733900000000, 0.0014688200000000, 0.0003930200000000 ] - [ -0.0000550400000000, 0.0014714800000000, 0.0003087800000000 ] - [ -0.0003139400000000, -0.0011862800000000, 0.0000635700000000 ] - [ 0.0002105800000000, -0.0011885200000000, -0.0002101100000000 ] - [ 0.0000019200000000, 0.0000867800000000, -0.0001341200000000 ] - [ 0.0000447300000000, 0.0001109000000000, -0.0001474200000000 ] - [ 0.0000429400000000, -0.0001795400000000, -0.0001110000000000 ] - [ -0.0000228700000000, -0.0001811100000000, -0.0001286900000000 ] - [ -0.0000446000000000, 0.0000177800000000, -0.0004314400000000 ] - [ -0.0000105900000000, -0.0000398400000000, -0.0001011000000000 ] - [ -0.0000286800000000, -0.0001013500000000, 0.0000144600000000 ] - [ 0.0000128800000000, -0.0000545100000000, -0.0001165400000000 ] - [ -0.0000001600000000, 0.0002352600000000, -0.0004696700000000 ] - [ 0.0000784700000000, 0.0002762100000000, -0.0000213100000000 ] - [ -0.0000188500000000, -0.0002377600000000, -0.0000086200000000 ] - [ 0.0001263700000000, -0.0001328900000000, -0.0000360400000000 ] - [ 0.0065319000000000, -0.0046011700000000, 0.0008724800000000 ] - [ -0.0012762500000000, -0.0002358900000000, -0.0001907700000000 ] - [ -0.0068736600000000, -0.0045703000000000, -0.0008274100000000 ] - [ 0.0030207400000000, -0.0002524700000000, 0.0011603600000000 ] - [ -0.0000566900000000, 0.0000513600000000, 0.0002246800000000 ] - [ -0.0000088800000000, 0.0000783000000000, 0.0003875900000000 ] - [ 0.0000141800000000, 0.0000746200000000, -0.0005878900000000 ] - [ -0.0001283200000000, 0.0000496600000000, -0.0003790400000000 ] - [ -0.0014678300000000, -0.0050300000000000, -0.0081040800000000 ] - [ 0.0003246300000000, -0.0000385100000000, -0.0002580400000000 ] - [ 0.0001337400000000, -0.0021429000000000, 0.0035302300000000 ] - [ -0.0000957000000000, -0.0000610500000000, 0.0003796300000000 ] - [ -0.0010065700000000, 0.0020680300000000, 0.0013914300000000 ] - [ -0.0001102100000000, 0.0002844800000000, 0.0001229900000000 ] - [ 0.0011415500000000, -0.0022047500000000, -0.0004368700000000 ] - [ 0.0000458100000000, -0.0003169100000000, 0.0000103500000000 ] - [ 0.0000844200000000, -0.0031487700000000, 0.0006633200000000 ] - [ 0.0001769500000000, -0.0007672600000000, -0.0000289900000000 ] - [ -0.0004814900000000, 0.0020945500000000, 0.0000893200000000 ] - [ -0.0000223100000000, 0.0008271100000000, 0.0000233000000000 ] - [ 0.0005623500000000, 0.0003121700000000, 0.0013421900000000 ] - [ -0.0000550400000000, 0.0000993200000000, 0.0002447400000000 ] - [ -0.0003614900000000, -0.0001552100000000, -0.0004433800000000 ] - [ -0.0001329700000000, -0.0000634700000000, 0.0000469000000000 ] - [ -0.0033096500000000, 0.0019855900000000, 0.0046822800000000 ] - [ -0.0000168000000000, 0.0003541500000000, 0.0003673000000000 ] - [ 0.0019848900000000, -0.0005694700000000, -0.0035912100000000 ] - [ 0.0000329600000000, -0.0002850100000000, -0.0004041900000000 ] - [ 0.0004537600000000, -0.0006892900000000, -0.0017289400000000 ] - [ 0.0003870800000000, -0.0003128000000000, -0.0011145300000000 ] - [ -0.0000608400000000, 0.0006155100000000, 0.0013195000000000 ] - [ -0.0009384000000000, 0.0004990600000000, 0.0023219200000000 ] - [ 0.0057097500000000, 0.0005395000000000, -0.0023008900000000 ] - [ -0.0054669200000000, -0.0014487300000000, -0.0042030400000000 ] - [ -0.0114440700000000, 0.0061560500000000, 0.0001683800000000 ] - [ 0.0036021800000000, 0.0019139100000000, 0.0035966800000000 ] - [ 0.0008658600000000, -0.0002451400000000, 0.0015252900000000 ] - [ -0.0000367200000000, -0.0008397100000000, -0.0000865900000000 ] - [ -0.0000230600000000, 0.0008846500000000, -0.0002344700000000 ] - [ -0.0003471700000000, 0.0006344000000000, -0.0000935000000000 ] - [ 0.0492398600000000, -0.0640885400000000, -0.0607619100000000 ] - [ -0.0005672200000000, -0.0022439400000000, -0.0001158300000000 ] - [ 0.0005868600000000, 0.0085240900000000, -0.0005249800000000 ] - [ 0.0000739200000000, 0.0021125300000000, -0.0001967200000000 ] - [ 0.0000354700000000, -0.0004358300000000, 0.0002506500000000 ] - [ -0.0000372800000000, -0.0002060300000000, 0.0002375700000000 ] - [ 0.0001907500000000, 0.0004385100000000, 0.0001486500000000 ] - [ -0.0000249300000000, 0.0002595100000000, 0.0002380900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010068500000000, 0.0008656400000000, 0.0084776000000000 ] - [ 0.0008636000000000, -0.0001612900000000, 0.0006980700000000 ] - [ -0.0002909900000000, -0.0000434500000000, 0.0010517300000000 ] - [ 0.0002590000000000, 0.0000004500000000, 0.0004071700000000 ] - [ -0.0003497500000000, 0.0000578400000000, -0.0014336400000000 ] - [ 0.0000441200000000, -0.0000011100000000, -0.0005110600000000 ] - [ -0.0000131200000000, -0.0000191800000000, -0.0006662700000000 ] - [ 0.0000178000000000, -0.0000074500000000, -0.0004205100000000 ] - [ -0.0020258100000000, -0.0006287900000000, 0.0067128500000000 ] - [ 0.0002100500000000, -0.0002613000000000, 0.0023408200000000 ] - [ -0.0000108500000000, -0.0001896000000000, 0.0007812000000000 ] - [ 0.0001283300000000, 0.0000387200000000, 0.0009006300000000 ] - [ 0.0009300000000000, -0.0001240300000000, -0.0010144900000000 ] - [ -0.0004447500000000, -0.0001237100000000, -0.0008888100000000 ] - [ 0.0001349200000000, 0.0000462000000000, -0.0005539100000000 ] - [ -0.0001100400000000, 0.0000424800000000, -0.0005482000000000 ] - [ 0.0000457500000000, 0.0003781300000000, 0.0078259200000000 ] - [ 0.0003545000000000, 0.0000119900000000, 0.0007018400000000 ] - [ -0.0005852200000000, 0.0021539600000000, 0.0036177300000000 ] - [ 0.0003613000000000, -0.0000412600000000, 0.0006459800000000 ] - [ 0.0000855000000000, 0.0008132100000000, -0.0010616200000000 ] - [ -0.0001391400000000, 0.0000258900000000, -0.0004964600000000 ] - [ 0.0002199500000000, -0.0005414200000000, -0.0010248900000000 ] - [ -0.0001406800000000, -0.0000731500000000, -0.0004758900000000 ] - [ -0.0017001500000000, -0.0006898000000000, 0.0010281400000000 ] - [ 0.0007949000000000, -0.0006468700000000, 0.0006132100000000 ] - [ -0.0013110000000000, 0.0008268500000000, 0.0009483400000000 ] - [ 0.0007580500000000, 0.0008827300000000, 0.0006292600000000 ] - [ -0.0000265500000000, 0.0000491200000000, -0.0007265800000000 ] - [ 0.0000579900000000, 0.0000169600000000, -0.0005823000000000 ] - [ -0.0000660500000000, -0.0000381800000000, -0.0008001500000000 ] - [ 0.0000771500000000, -0.0000265800000000, -0.0005989400000000 ] - [ 0.0030167200000000, -0.0016969200000000, 0.0021628200000000 ] - [ -0.0007079300000000, 0.0000694300000000, 0.0004465000000000 ] - [ 0.0004220600000000, 0.0003719800000000, 0.0002762100000000 ] - [ -0.0003752400000000, 0.0003605200000000, 0.0003230100000000 ] - [ 0.0002385200000000, -0.0000677000000000, 0.0008784800000000 ] - [ -0.0002465200000000, 0.0002751500000000, 0.0007864300000000 ] - [ 0.0002761700000000, -0.0000729200000000, 0.0007470800000000 ] - [ -0.0001153800000000, 0.0000216900000000, 0.0005967700000000 ] - [ -0.0011888700000000, 0.0011434100000000, 0.0013111300000000 ] - [ 0.0008457900000000, 0.0006444700000000, 0.0002861100000000 ] - [ -0.0011758600000000, -0.0017429100000000, 0.0002778700000000 ] - [ 0.0002941200000000, -0.0002051100000000, 0.0000851700000000 ] - [ 0.0001872900000000, -0.0011428300000000, 0.0005604400000000 ] - [ -0.0005335600000000, -0.0002985100000000, 0.0003126900000000 ] - [ 0.0024456500000000, 0.0034124600000000, 0.0021873500000000 ] - [ -0.0004910600000000, -0.0000322900000000, 0.0003415500000000 ] - [ 0.0000651600000000, -0.0028457900000000, -0.0017268000000000 ] - [ -0.0002655700000000, -0.0000851000000000, -0.0007836100000000 ] - [ -0.0084763600000000, 0.0090804000000000, -0.0026509600000000 ] - [ -0.0001909600000000, 0.0002267700000000, -0.0008060300000000 ] - [ -0.0008819200000000, -0.0009267300000000, 0.0007029300000000 ] - [ 0.0011059600000000, -0.0007043000000000, -0.0015526000000000 ] - [ -0.0012920700000000, 0.0007102700000000, 0.0008074800000000 ] - [ 0.0011336300000000, 0.0006839400000000, -0.0015476600000000 ] - [ -0.0113288100000000, -0.0028836500000000, -0.0028287000000000 ] - [ 0.0005836600000000, -0.0000706800000000, -0.0014626200000000 ] - [ -0.0003815100000000, 0.0010722100000000, -0.0008245800000000 ] - [ -0.0003088900000000, 0.0000084800000000, -0.0008570900000000 ] - [ 0.0001438400000000, 0.0001862800000000, 0.0011825400000000 ] - [ -0.0002855000000000, -0.0001669800000000, 0.0007322600000000 ] - [ 0.0002139100000000, 0.0002253200000000, 0.0007943300000000 ] - [ -0.0001335700000000, -0.0000008200000000, 0.0004922700000000 ] - [ 0.0000598500000000, 0.0000333400000000, 0.0016625400000000 ] - [ -0.0016540500000000, 0.0001308600000000, 0.0034624000000000 ] - [ 0.0000308000000000, 0.0000191700000000, 0.0007755300000000 ] - [ -0.0007577300000000, -0.0000711000000000, 0.0015794600000000 ] - [ -0.0037853600000000, 0.0048095700000000, 0.0325806100000000 ] - [ -0.0003412200000000, 0.0000962300000000, -0.0006414300000000 ] - [ 0.0001091500000000, -0.0000071200000000, -0.0004983500000000 ] - [ -0.0003009300000000, 0.0000314600000000, -0.0006415500000000 ] - [ 0.1545298300000000, -0.0790154000000000, -0.2480506700000000 ] - [ -0.0003968100000000, 0.0000592900000000, -0.0011908700000000 ] - [ 0.0008953000000000, -0.0000425400000000, -0.0021704000000000 ] - [ -0.0002656800000000, 0.0000078800000000, -0.0007453700000000 ] - [ 0.0005800000000000, 0.0003054200000000, 0.0037510600000000 ] - [ 0.0001353000000000, 0.0000971700000000, 0.0008059100000000 ] - [ 0.0009874200000000, -0.0008413500000000, 0.0031774200000000 ] - [ 0.0001064200000000, -0.0001472200000000, 0.0007965500000000 ] - [ 0.0039200600000000, -0.0003350200000000, 0.0005572800000000 ] - [ -0.0035769300000000, -0.0004143600000000, 0.0005562700000000 ] - [ 0.0008850500000000, 0.0001820200000000, -0.0006486300000000 ] - [ -0.0008108200000000, -0.0000951300000000, -0.0006463400000000 ] - [ 0.0003937600000000, -0.0001639000000000, 0.0016409800000000 ] - [ 0.0001140700000000, -0.0001765700000000, 0.0011592800000000 ] - [ 0.0001870100000000, -0.0001393600000000, 0.0010088500000000 ] - [ 0.0002199700000000, -0.0001605300000000, 0.0008432800000000 ] - [ -0.0001444600000000, -0.0004612100000000, 0.0017861800000000 ] - [ -0.0002524600000000, -0.0001317700000000, 0.0007767400000000 ] - [ -0.0002167000000000, -0.0000122100000000, 0.0016272100000000 ] - [ -0.0002345200000000, -0.0001460600000000, 0.0007656200000000 ] - [ -0.0001603900000000, -0.0004313600000000, 0.0054547400000000 ] - [ -0.0000073500000000, 0.0000101000000000, 0.0005787600000000 ] - [ -0.0002019900000000, 0.0000209300000000, 0.0008036500000000 ] - [ -0.0000191700000000, -0.0000056000000000, 0.0004482000000000 ] - [ -0.0011573800000000, 0.0008683100000000, -0.0035194400000000 ] - [ -0.0007925500000000, -0.0011290800000000, -0.0021693500000000 ] - [ -0.0006472600000000, -0.0008584800000000, -0.0035237400000000 ] - [ -0.0015186100000000, 0.0002226000000000, -0.0021686000000000 ] - [ -0.0004183100000000, -0.0003482500000000, 0.0008765600000000 ] - [ 0.0006494100000000, -0.0005621800000000, 0.0008913700000000 ] - [ -0.0005705100000000, 0.0004170900000000, 0.0008891600000000 ] - [ 0.0009243000000000, 0.0002611700000000, 0.0008795000000000 ] - [ 0.0021983400000000, 0.0080186900000000, 0.0060273300000000 ] - [ -0.0003911100000000, 0.0002250600000000, -0.0004456100000000 ] - [ 0.0011414100000000, -0.0035644400000000, 0.0006824000000000 ] - [ -0.0003605500000000, -0.0004126600000000, -0.0004580300000000 ] - [ -0.0024229100000000, -0.0031438300000000, 0.0071537300000000 ] - [ 0.0006749100000000, -0.0004051400000000, 0.0003422000000000 ] - [ -0.0013877100000000, 0.0015107600000000, 0.0005952800000000 ] - [ 0.0000899300000000, 0.0000782500000000, 0.0000769500000000 ] - [ 0.0060563100000000, -0.0014497900000000, -0.0052665300000000 ] - [ -0.0019489100000000, -0.0005327400000000, -0.0020229400000000 ] - [ 0.0019953200000000, 0.0006718700000000, -0.0005660300000000 ] - [ -0.0004712300000000, 0.0001218800000000, -0.0004208300000000 ] - [ -0.0005622200000000, -0.0001973900000000, -0.0035112500000000 ] - [ 0.0003269800000000, -0.0000915200000000, -0.0013181700000000 ] - [ -0.0005658800000000, -0.0001369200000000, -0.0034431900000000 ] - [ 0.0002441800000000, 0.0002386700000000, -0.0013544900000000 ] - [ 0.0022803000000000, -0.0031002200000000, -0.0053437700000000 ] - [ -0.0003795900000000, -0.0004056300000000, -0.0003046800000000 ] - [ -0.0002476300000000, 0.0063794700000000, -0.0039409500000000 ] - [ -0.0000961900000000, 0.0007299800000000, -0.0002954300000000 ] - [ -0.0021869900000000, 0.0028973500000000, -0.0007449400000000 ] - [ 0.0011824000000000, 0.0004961300000000, -0.0014402800000000 ] - [ -0.0030094900000000, -0.0016947500000000, -0.0001854500000000 ] - [ 0.0009764500000000, -0.0006325400000000, -0.0012901700000000 ] - [ 0.0024295000000000, 0.0067490200000000, 0.0023277200000000 ] - [ -0.0005403700000000, 0.0014026500000000, 0.0039362500000000 ] - [ 0.0053295100000000, -0.0029559600000000, 0.0014590000000000 ] - [ -0.0003055600000000, -0.0006268200000000, 0.0030518700000000 ] - [ -0.0082315800000000, -0.0030842400000000, -0.0152675000000000 ] - [ 0.0008844200000000, -0.0001073500000000, -0.0001690500000000 ] - [ 0.0003608600000000, 0.0006255700000000, -0.0005522300000000 ] - [ 0.0006702500000000, 0.0002061600000000, -0.0000086000000000 ] - [ -0.1308128900000000, 0.0618430900000000, 0.1965152100000000 ] - [ 0.0001266700000000, -0.0004087600000000, 0.0014401300000000 ] - [ -0.0018722700000000, 0.0007935500000000, 0.0022991900000000 ] - [ 0.0003137000000000, -0.0000558400000000, 0.0011537500000000 ] - [ -0.0001485400000000, 0.0000938600000000, -0.0022906700000000 ] - [ 0.0005747900000000, -0.0001230500000000, -0.0033745600000000 ] - [ -0.0003900600000000, 0.0000549000000000, -0.0014357300000000 ] - [ 0.0002503900000000, -0.0000266400000000, -0.0019578100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0015267400000000, -0.0009152400000000, -0.0093611100000000 ] - [ -0.0008762200000000, 0.0001600800000000, -0.0007672200000000 ] - [ 0.0002804300000000, 0.0000412200000000, -0.0011255000000000 ] - [ -0.0002680700000000, -0.0000027800000000, -0.0004850000000000 ] - [ 0.0003576100000000, -0.0000563700000000, 0.0014927300000000 ] - [ -0.0000384500000000, 0.0000093500000000, 0.0005753900000000 ] - [ 0.0000291000000000, 0.0000196100000000, 0.0007318500000000 ] - [ -0.0000100700000000, 0.0000129000000000, 0.0004845200000000 ] - [ 0.0019616100000000, 0.0005981900000000, -0.0066260800000000 ] - [ -0.0002269000000000, 0.0002646400000000, -0.0022837400000000 ] - [ -0.0000021900000000, 0.0001915100000000, -0.0007125400000000 ] - [ -0.0001382700000000, -0.0000433400000000, -0.0008390800000000 ] - [ -0.0009143000000000, 0.0001177200000000, 0.0009474700000000 ] - [ 0.0004460900000000, 0.0001163000000000, 0.0008241600000000 ] - [ -0.0001183700000000, -0.0000468700000000, 0.0004890500000000 ] - [ 0.0001178200000000, -0.0000473300000000, 0.0004856900000000 ] - [ -0.0000218600000000, -0.0003525200000000, -0.0077581600000000 ] - [ -0.0003464700000000, -0.0000141100000000, -0.0006403800000000 ] - [ 0.0005946200000000, -0.0021311300000000, -0.0035666600000000 ] - [ -0.0003482300000000, 0.0000440800000000, -0.0005743900000000 ] - [ -0.0000921000000000, -0.0008119100000000, 0.0009950500000000 ] - [ 0.0001303900000000, -0.0000263500000000, 0.0004337200000000 ] - [ -0.0002305900000000, 0.0005375400000000, 0.0009563500000000 ] - [ 0.0001278900000000, 0.0000710400000000, 0.0004147500000000 ] - [ 0.0017089400000000, 0.0006874000000000, -0.0010984400000000 ] - [ -0.0007749000000000, 0.0006476800000000, -0.0006903900000000 ] - [ 0.0013227000000000, -0.0008288700000000, -0.0010177400000000 ] - [ -0.0007465000000000, -0.0008858400000000, -0.0007016800000000 ] - [ 0.0000164400000000, -0.0000467000000000, 0.0007926700000000 ] - [ -0.0000682000000000, -0.0000144100000000, 0.0006496000000000 ] - [ 0.0000585800000000, 0.0000405500000000, 0.0008627900000000 ] - [ -0.0000852000000000, 0.0000292000000000, 0.0006649000000000 ] - [ -0.0029184400000000, 0.0017080300000000, -0.0020275200000000 ] - [ 0.0007825000000000, -0.0000428500000000, -0.0003261500000000 ] - [ -0.0003456000000000, -0.0003411400000000, -0.0001546400000000 ] - [ 0.0004482000000000, -0.0003345900000000, -0.0002024800000000 ] - [ -0.0003167300000000, 0.0000390400000000, -0.0010030100000000 ] - [ 0.0001702100000000, -0.0003058500000000, -0.0009126700000000 ] - [ -0.0003558900000000, 0.0000478700000000, -0.0008723200000000 ] - [ 0.0000397500000000, -0.0000474600000000, -0.0007214200000000 ] - [ 0.0012638700000000, -0.0011799600000000, -0.0011889300000000 ] - [ -0.0007682300000000, -0.0006735800000000, -0.0001567000000000 ] - [ 0.0012559600000000, 0.0017231000000000, -0.0001477400000000 ] - [ -0.0002172300000000, 0.0001773100000000, 0.0000442900000000 ] - [ -0.0002609300000000, 0.0011574400000000, -0.0004384200000000 ] - [ 0.0004568100000000, 0.0003246500000000, -0.0001913400000000 ] - [ -0.0024996300000000, -0.0033503700000000, -0.0020478000000000 ] - [ 0.0004159000000000, 0.0000617100000000, -0.0002204800000000 ] - [ 0.0000153100000000, 0.0028966900000000, 0.0015878800000000 ] - [ 0.0003342700000000, 0.0001151600000000, 0.0006555400000000 ] - [ 0.0085688400000000, -0.0090780600000000, 0.0024330400000000 ] - [ 0.0002598900000000, -0.0002000600000000, 0.0006776200000000 ] - [ 0.0008876700000000, 0.0009758200000000, -0.0007264900000000 ] - [ -0.0010999100000000, 0.0007440200000000, 0.0015327400000000 ] - [ 0.0013013800000000, -0.0006678100000000, -0.0008275900000000 ] - [ -0.0011264400000000, -0.0006380700000000, 0.0015288100000000 ] - [ 0.0112620800000000, 0.0029449700000000, 0.0025978500000000 ] - [ -0.0006735100000000, 0.0000973800000000, 0.0013282100000000 ] - [ 0.0003098200000000, -0.0010469200000000, 0.0007004600000000 ] - [ 0.0002250800000000, 0.0000152400000000, 0.0007244000000000 ] - [ -0.0000702300000000, -0.0002141400000000, -0.0013057900000000 ] - [ 0.0003617600000000, 0.0001428100000000, -0.0008558700000000 ] - [ -0.0001417300000000, -0.0002529200000000, -0.0009188900000000 ] - [ 0.0002086100000000, -0.0000273900000000, -0.0006157500000000 ] - [ -0.0000630200000000, -0.0000758600000000, -0.0016564100000000 ] - [ 0.0016605700000000, -0.0001750100000000, -0.0034639500000000 ] - [ -0.0000331600000000, -0.0000614300000000, -0.0007713600000000 ] - [ 0.0007577300000000, 0.0000289100000000, -0.0015764500000000 ] - [ 0.0036428100000000, -0.0046959600000000, -0.0319919600000000 ] - [ 0.0003380400000000, -0.0000539400000000, 0.0006296900000000 ] - [ -0.0001167600000000, 0.0000505300000000, 0.0004820500000000 ] - [ 0.0002988200000000, 0.0000109200000000, 0.0006346200000000 ] - [ -0.1463017700000000, 0.0755281700000000, 0.2418949700000000 ] - [ 0.0003272100000000, 0.0000479100000000, 0.0011503300000000 ] - [ -0.0009640800000000, 0.0001544900000000, 0.0021278000000000 ] - [ 0.0001900200000000, 0.0001001400000000, 0.0007058900000000 ] - [ -0.0005815400000000, -0.0003486400000000, -0.0037503100000000 ] - [ -0.0001336100000000, -0.0001396300000000, -0.0007999900000000 ] - [ -0.0009917300000000, 0.0008054800000000, -0.0031799400000000 ] - [ -0.0001043500000000, 0.0001058000000000, -0.0007922700000000 ] - [ -0.0039991800000000, 0.0002317500000000, -0.0004997900000000 ] - [ 0.0035249000000000, 0.0003146700000000, -0.0005013400000000 ] - [ -0.0009556100000000, -0.0002844600000000, 0.0006975900000000 ] - [ 0.0007390300000000, -0.0000096100000000, 0.0007007200000000 ] - [ -0.0003244400000000, 0.0000576800000000, -0.0016820900000000 ] - [ -0.0000405500000000, 0.0000718000000000, -0.0012018800000000 ] - [ -0.0001141800000000, 0.0000351100000000, -0.0010520000000000 ] - [ -0.0001488200000000, 0.0000534200000000, -0.0008850800000000 ] - [ 0.0000767300000000, 0.0003533700000000, -0.0018253300000000 ] - [ 0.0001804300000000, 0.0000216600000000, -0.0008218200000000 ] - [ 0.0001442400000000, -0.0000910300000000, -0.0016707200000000 ] - [ 0.0001649500000000, 0.0000396600000000, -0.0008106900000000 ] - [ 0.0002264800000000, 0.0005349500000000, -0.0053616100000000 ] - [ 0.0000818900000000, 0.0000938200000000, -0.0005414100000000 ] - [ 0.0002734800000000, 0.0000852000000000, -0.0007638200000000 ] - [ 0.0000914400000000, 0.0001114600000000, -0.0004086800000000 ] - [ 0.0012030900000000, -0.0007441300000000, 0.0034822400000000 ] - [ 0.0008744000000000, 0.0012427400000000, 0.0021292100000000 ] - [ 0.0006882100000000, 0.0009323600000000, 0.0034770400000000 ] - [ 0.0015982600000000, -0.0001203300000000, 0.0021290900000000 ] - [ 0.0003370500000000, 0.0004526500000000, -0.0008404800000000 ] - [ -0.0007146200000000, 0.0006629500000000, -0.0008454900000000 ] - [ 0.0004942700000000, -0.0003079700000000, -0.0008477600000000 ] - [ -0.0009886400000000, -0.0001496500000000, -0.0008380400000000 ] - [ -0.0021646800000000, -0.0081800000000000, -0.0059959800000000 ] - [ 0.0004637100000000, -0.0003332900000000, 0.0004916700000000 ] - [ -0.0010810700000000, 0.0034736600000000, -0.0006318300000000 ] - [ 0.0004309100000000, 0.0003055400000000, 0.0005048700000000 ] - [ 0.0023610700000000, 0.0031442300000000, -0.0071107900000000 ] - [ -0.0007514400000000, 0.0003777000000000, -0.0002149700000000 ] - [ 0.0013130900000000, -0.0015420400000000, -0.0004676100000000 ] - [ -0.0001656200000000, -0.0001062500000000, 0.0000498700000000 ] - [ -0.0061559600000000, 0.0015027400000000, 0.0052352700000000 ] - [ 0.0018897400000000, 0.0005822500000000, 0.0019695700000000 ] - [ -0.0020629400000000, -0.0006273900000000, 0.0005093600000000 ] - [ 0.0004093200000000, -0.0000756700000000, 0.0003677300000000 ] - [ 0.0005039600000000, 0.0002458400000000, 0.0035566900000000 ] - [ -0.0003926000000000, 0.0001390500000000, 0.0013618600000000 ] - [ 0.0005080400000000, 0.0001816800000000, 0.0034920000000000 ] - [ -0.0003113400000000, -0.0001962600000000, 0.0013977200000000 ] - [ -0.0022113300000000, 0.0031596100000000, 0.0052924600000000 ] - [ 0.0004381500000000, 0.0004543600000000, 0.0002517600000000 ] - [ 0.0003158300000000, -0.0063708800000000, 0.0038927500000000 ] - [ 0.0001571200000000, -0.0006836900000000, 0.0002443400000000 ] - [ 0.0021054700000000, -0.0029186000000000, 0.0007070300000000 ] - [ -0.0012396600000000, -0.0005394100000000, 0.0014149200000000 ] - [ 0.0029267300000000, 0.0016345800000000, 0.0001529600000000 ] - [ -0.0010380700000000, 0.0005862200000000, 0.0012607600000000 ] - [ -0.0023882600000000, -0.0068431700000000, -0.0022642600000000 ] - [ 0.0006198700000000, -0.0014591300000000, -0.0038573300000000 ] - [ -0.0053100500000000, 0.0029285600000000, -0.0014129200000000 ] - [ 0.0003801100000000, 0.0005799400000000, -0.0029690100000000 ] - [ 0.0082270500000000, 0.0030122400000000, 0.0151242100000000 ] - [ -0.0008251800000000, 0.0000583600000000, 0.0001350800000000 ] - [ -0.0002910000000000, -0.0006653600000000, 0.0005223400000000 ] - [ -0.0006086000000000, -0.0002555300000000, -0.0000295900000000 ] - [ 0.1232817200000000, -0.0582909300000000, -0.1898501600000000 ] - [ -0.0001802900000000, 0.0003680100000000, -0.0013867200000000 ] - [ 0.0018169000000000, -0.0008544800000000, -0.0022386900000000 ] - [ -0.0003681400000000, 0.0000078200000000, -0.0011038500000000 ] - [ 0.0002164500000000, -0.0000451500000000, 0.0023324500000000 ] - [ -0.0005172100000000, 0.0001737200000000, 0.0034233000000000 ] - [ 0.0004568200000000, -0.0000079700000000, 0.0014773900000000 ] - [ -0.0001885800000000, 0.0000738500000000, 0.0020033100000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0105844700000000, 0.0026757400000000, -0.0086863000000000 ] - [ 0.0116366000000000, -0.0002051700000000, 0.0060062200000000 ] - [ 0.0005655800000000, -0.0012604700000000, -0.0010853600000000 ] - [ -0.0007202300000000, 0.0003513900000000, 0.0000407400000000 ] - [ -0.0020773400000000, -0.0001196600000000, 0.0006646600000000 ] - [ 0.0013132200000000, -0.0000398600000000, -0.0005984100000000 ] - [ -0.0006096500000000, -0.0002470200000000, 0.0006924400000000 ] - [ 0.0006202500000000, 0.0001052300000000, -0.0001555200000000 ] - [ -0.0083735900000000, 0.0000626300000000, 0.0030292000000000 ] - [ 0.0017767500000000, 0.0001269500000000, -0.0004416900000000 ] - [ -0.0010007500000000, -0.0000012700000000, -0.0009389900000000 ] - [ 0.0009974800000000, -0.0000819700000000, -0.0001530100000000 ] - [ 0.0002767800000000, 0.0000655100000000, 0.0003408000000000 ] - [ 0.0001648800000000, 0.0000830100000000, -0.0011179900000000 ] - [ 0.0002407100000000, -0.0000300800000000, 0.0002520600000000 ] - [ -0.0002410700000000, -0.0001053600000000, -0.0000811200000000 ] - [ -0.0012466100000000, 0.0009892100000000, -0.0026873400000000 ] - [ 0.0014296700000000, -0.0005194700000000, 0.0011750400000000 ] - [ -0.0018933800000000, -0.0008416400000000, -0.0030776300000000 ] - [ 0.0012330100000000, 0.0003997400000000, 0.0007161400000000 ] - [ -0.0000258500000000, -0.0000117600000000, 0.0003626100000000 ] - [ 0.0001802200000000, -0.0002078000000000, -0.0005328300000000 ] - [ 0.0000291200000000, 0.0000264200000000, 0.0005266500000000 ] - [ 0.0000976600000000, 0.0001649700000000, -0.0003407000000000 ] - [ 0.0025473800000000, 0.0003067700000000, -0.0003768900000000 ] - [ -0.0041445300000000, -0.0080257000000000, 0.0007175000000000 ] - [ 0.0034273900000000, -0.0002024800000000, -0.0007346200000000 ] - [ -0.0025234200000000, 0.0099026900000000, 0.0021148600000000 ] - [ -0.0014403800000000, -0.0008832200000000, -0.0003308700000000 ] - [ 0.0009898400000000, -0.0000443800000000, 0.0002602700000000 ] - [ -0.0013134400000000, 0.0013348600000000, -0.0003056500000000 ] - [ 0.0010565500000000, 0.0000205600000000, 0.0003413300000000 ] - [ 0.0010832800000000, -0.0001464800000000, 0.0005380700000000 ] - [ -0.0008687000000000, 0.0003415700000000, -0.0000249300000000 ] - [ 0.0008462800000000, -0.0003648900000000, 0.0000732400000000 ] - [ -0.0006246600000000, 0.0002397800000000, 0.0000287700000000 ] - [ -0.0016688400000000, 0.0001926000000000, -0.0013545900000000 ] - [ -0.0027149300000000, 0.0052512800000000, 0.0036246300000000 ] - [ -0.0025411200000000, 0.0011542000000000, -0.0018059300000000 ] - [ 0.0011224900000000, -0.0026823200000000, 0.0002554400000000 ] - [ 0.0449575700000000, 0.0352034400000000, 0.0011878600000000 ] - [ -0.0044350900000000, -0.0014405400000000, -0.0000517500000000 ] - [ 0.0118084900000000, 0.0113770600000000, 0.0006354700000000 ] - [ -0.0038400600000000, -0.0013987100000000, -0.0001320700000000 ] - [ 0.0008385600000000, 0.0003959200000000, -0.0000116700000000 ] - [ -0.0007020800000000, -0.0000480400000000, 0.0001902300000000 ] - [ 0.0008820400000000, 0.0002431900000000, 0.0000492400000000 ] - [ -0.0009223800000000, -0.0004787400000000, 0.0001062100000000 ] - [ -0.0006822700000000, -0.0001951900000000, 0.0008214300000000 ] - [ 0.0001662300000000, 0.0009273800000000, -0.0004793400000000 ] - [ -0.0010146600000000, 0.0005425500000000, 0.0011888700000000 ] - [ 0.0002121000000000, -0.0008992200000000, -0.0009238900000000 ] - [ -0.0007131100000000, -0.0000262300000000, 0.0007764500000000 ] - [ 0.0007636000000000, 0.0004451400000000, -0.0006235500000000 ] - [ -0.0007732000000000, 0.0000044500000000, 0.0008570400000000 ] - [ 0.0005972100000000, -0.0001255100000000, -0.0009755700000000 ] - [ -0.0014120600000000, -0.0005466800000000, 0.0005813500000000 ] - [ -0.0001537700000000, 0.0014516100000000, -0.0028578800000000 ] - [ -0.0006807700000000, -0.0000707400000000, 0.0003641300000000 ] - [ 0.0000262700000000, -0.0005002600000000, -0.0000591000000000 ] - [ -0.0018969900000000, -0.0009838100000000, -0.0027531900000000 ] - [ -0.0028130500000000, -0.0021626200000000, 0.0025678400000000 ] - [ -0.0011119600000000, -0.0006402300000000, -0.0015576300000000 ] - [ 0.0007877600000000, 0.0014041400000000, 0.0000135700000000 ] - [ -0.0032443400000000, -0.0002900500000000, 0.0005601100000000 ] - [ 0.0510239300000000, 0.0135647000000000, -0.0637676700000000 ] - [ -0.0018256600000000, 0.0000768300000000, 0.0006365400000000 ] - [ 0.0028691000000000, 0.0003152400000000, -0.0036366100000000 ] - [ 0.0005089500000000, 0.0000812200000000, 0.0023141100000000 ] - [ -0.0008066600000000, -0.0000824100000000, -0.0014149400000000 ] - [ 0.0004479500000000, 0.0000068700000000, 0.0011159800000000 ] - [ -0.0003856300000000, 0.0000988200000000, -0.0005082500000000 ] - [ 0.0008232600000000, -0.0000644200000000, 0.0060755000000000 ] - [ -0.0024472300000000, -0.0001625200000000, -0.0019464600000000 ] - [ 0.0007057800000000, 0.0005026100000000, 0.0020081400000000 ] - [ -0.0007304800000000, 0.0000476500000000, -0.0004628500000000 ] - [ -0.0021504800000000, -0.0035070500000000, -0.0057314900000000 ] - [ -0.0023130600000000, 0.0019295500000000, 0.0010572400000000 ] - [ -0.0049852200000000, 0.0084140400000000, -0.0132220700000000 ] - [ -0.0017019000000000, -0.0015068800000000, 0.0007306200000000 ] - [ -0.0066576500000000, -0.0005898900000000, -0.0001363300000000 ] - [ 0.1496525900000000, 0.0505155800000000, 0.1299025300000000 ] - [ -0.0031763300000000, 0.0000582900000000, -0.0003226500000000 ] - [ 0.0037709100000000, 0.0005625300000000, 0.0018682200000000 ] - [ 0.0020210500000000, -0.0008638900000000, 0.0081776200000000 ] - [ -0.0019803000000000, 0.0000126900000000, -0.0008722600000000 ] - [ 0.0014932300000000, 0.0000002500000000, -0.0003459000000000 ] - [ -0.0014612400000000, 0.0003248100000000, -0.0006553700000000 ] - [ 0.0013940600000000, 0.0004307700000000, -0.0021636400000000 ] - [ -0.0018389500000000, 0.0003662000000000, 0.0011938500000000 ] - [ 0.0013956800000000, -0.0000880700000000, -0.0029891800000000 ] - [ -0.0012862000000000, -0.0009596400000000, 0.0009901100000000 ] - [ 0.0005985300000000, 0.0000576300000000, -0.0001602500000000 ] - [ -0.0006120000000000, -0.0000177800000000, 0.0005639200000000 ] - [ 0.0003186900000000, 0.0002102400000000, -0.0004029200000000 ] - [ -0.0002425300000000, -0.0000028100000000, 0.0002379900000000 ] - [ 0.0028684900000000, 0.0020013600000000, 0.0002730700000000 ] - [ -0.0016945600000000, 0.0000573000000000, 0.0001003600000000 ] - [ 0.0033869100000000, -0.0032786200000000, -0.0022566500000000 ] - [ -0.0017853400000000, 0.0000058300000000, 0.0003861700000000 ] - [ -0.0005484300000000, 0.0001543800000000, -0.0002581700000000 ] - [ 0.0005160300000000, 0.0003831000000000, 0.0005572200000000 ] - [ -0.0006106600000000, 0.0000747800000000, -0.0003367300000000 ] - [ 0.0004518800000000, -0.0005370100000000, 0.0005504100000000 ] - [ -0.0026659000000000, -0.0056917600000000, 0.0024310300000000 ] - [ -0.0056790500000000, 0.0054599800000000, -0.0005733000000000 ] - [ -0.0068377900000000, 0.0114580800000000, 0.0053555400000000 ] - [ -0.0032223600000000, -0.0036345700000000, -0.0003306500000000 ] - [ 0.1588655800000000, -0.0575789700000000, -0.0074772800000000 ] - [ -0.0067782600000000, 0.0002526500000000, 0.0002550400000000 ] - [ 0.0017866800000000, -0.0015871200000000, -0.0000053400000000 ] - [ -0.0030843400000000, 0.0022018500000000, 0.0004466200000000 ] - [ -0.4330552100000000, -0.0374553900000000, -0.0513244300000000 ] - [ 0.0102151100000000, 0.0004293800000000, 0.0006480000000000 ] - [ -0.0063456200000000, -0.0019540900000000, 0.0011546800000000 ] - [ 0.0054430500000000, 0.0003242600000000, 0.0003058100000000 ] - [ 0.0018044100000000, 0.0009216500000000, 0.0078339200000000 ] - [ 0.0029904100000000, -0.0037511700000000, -0.0025898000000000 ] - [ 0.0030180700000000, 0.0003184500000000, 0.0114952100000000 ] - [ 0.0017864000000000, 0.0047065800000000, -0.0029452200000000 ] - [ 0.0088159700000000, 0.0244565300000000, 0.0005827000000000 ] - [ 0.0077229300000000, -0.0035655500000000, -0.0019054600000000 ] - [ 0.0086591600000000, -0.0532361200000000, 0.0049932700000000 ] - [ 0.0077059000000000, 0.0035999300000000, -0.0006411500000000 ] - [ -0.0015165400000000, -0.0001840200000000, 0.0000612200000000 ] - [ 0.0012295900000000, -0.0003577000000000, -0.0003947400000000 ] - [ -0.0016398700000000, 0.0004311000000000, 0.0002442800000000 ] - [ 0.0013663500000000, -0.0000538000000000, -0.0003773700000000 ] - [ 0.0020887900000000, 0.0005980000000000, -0.0009381100000000 ] - [ -0.0018623800000000, -0.0032499400000000, 0.0015878600000000 ] - [ 0.0020877700000000, -0.0001625000000000, -0.0011917700000000 ] - [ -0.0004815900000000, 0.0015113400000000, 0.0017789000000000 ] - [ -0.0018759000000000, -0.0000950000000000, -0.0011953600000000 ] - [ 0.0016328000000000, 0.0003652300000000, 0.0004899500000000 ] - [ -0.0012518400000000, -0.0003126500000000, -0.0003761800000000 ] - [ 0.0010133900000000, -0.0000459700000000, 0.0001487500000000 ] - [ 0.0018913400000000, -0.0006134000000000, -0.0038849000000000 ] - [ 0.0018748900000000, 0.0008770300000000, 0.0034524800000000 ] - [ 0.0002915100000000, 0.0000703500000000, -0.0019647400000000 ] - [ 0.0002826600000000, -0.0006030300000000, 0.0005325600000000 ] - [ 0.0045589200000000, 0.0004833300000000, 0.0017099400000000 ] - [ 0.0097152200000000, -0.0030038700000000, -0.0242064500000000 ] - [ 0.0031858700000000, -0.0012556400000000, 0.0006546100000000 ] - [ -0.0035777700000000, 0.0013718100000000, 0.0026062600000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0106724800000000, -0.0026666900000000, 0.0086899500000000 ] - [ -0.0115742600000000, 0.0002161900000000, -0.0059758600000000 ] - [ -0.0005669800000000, 0.0012554000000000, 0.0010184000000000 ] - [ 0.0007065500000000, -0.0003561900000000, -0.0001109500000000 ] - [ 0.0020994600000000, 0.0001214600000000, -0.0006008300000000 ] - [ -0.0013108600000000, 0.0000480200000000, 0.0006610200000000 ] - [ 0.0006323700000000, 0.0002469200000000, -0.0006275300000000 ] - [ -0.0006135600000000, -0.0000984000000000, 0.0002170000000000 ] - [ 0.0083711300000000, -0.0000679100000000, -0.0029915200000000 ] - [ -0.0017848300000000, -0.0001256500000000, 0.0005187800000000 ] - [ 0.0009905000000000, 0.0000063300000000, 0.0010083800000000 ] - [ -0.0010054900000000, 0.0000762200000000, 0.0002232900000000 ] - [ -0.0002662200000000, -0.0000711700000000, -0.0004082500000000 ] - [ -0.0001644600000000, -0.0000868100000000, 0.0010575300000000 ] - [ -0.0002252100000000, 0.0000282700000000, -0.0003196500000000 ] - [ 0.0002486900000000, 0.0000983400000000, 0.0000187400000000 ] - [ 0.0012765300000000, -0.0009904600000000, 0.0027547700000000 ] - [ -0.0014154200000000, 0.0005196100000000, -0.0010897800000000 ] - [ 0.0019090000000000, 0.0008361800000000, 0.0031396400000000 ] - [ -0.0012239900000000, -0.0003995400000000, -0.0006373400000000 ] - [ 0.0000185800000000, 0.0000058400000000, -0.0004287600000000 ] - [ -0.0001916100000000, 0.0002058700000000, 0.0004696500000000 ] - [ -0.0000429100000000, -0.0000245100000000, -0.0005951900000000 ] - [ -0.0001111800000000, -0.0001706300000000, 0.0002783000000000 ] - [ -0.0025427700000000, -0.0003105200000000, 0.0003183200000000 ] - [ 0.0041050700000000, 0.0080165200000000, -0.0007750900000000 ] - [ -0.0034141600000000, 0.0002083500000000, 0.0006695900000000 ] - [ 0.0024951500000000, -0.0098966400000000, -0.0021617000000000 ] - [ 0.0014338700000000, 0.0008907800000000, 0.0004002100000000 ] - [ -0.0010004600000000, 0.0000465400000000, -0.0001966800000000 ] - [ 0.0013092700000000, -0.0013410200000000, 0.0003745500000000 ] - [ -0.0010686900000000, -0.0000161700000000, -0.0002772600000000 ] - [ -0.0010135200000000, 0.0001726200000000, -0.0004175000000000 ] - [ 0.0009490200000000, -0.0003141000000000, 0.0001496300000000 ] - [ -0.0007737400000000, 0.0003924000000000, 0.0000501300000000 ] - [ 0.0006978100000000, -0.0002152800000000, 0.0000937400000000 ] - [ 0.0015879900000000, -0.0002161500000000, 0.0012356800000000 ] - [ 0.0026782900000000, -0.0053189000000000, -0.0037645700000000 ] - [ 0.0024618500000000, -0.0011826000000000, 0.0016852500000000 ] - [ -0.0011877500000000, 0.0026605200000000, -0.0003812200000000 ] - [ -0.0443951300000000, -0.0347328200000000, -0.0010894300000000 ] - [ 0.0045027300000000, 0.0014145400000000, 0.0001808500000000 ] - [ -0.0117490400000000, -0.0114449600000000, -0.0005127800000000 ] - [ 0.0039118500000000, 0.0013641400000000, 0.0002567300000000 ] - [ -0.0009155800000000, -0.0003717600000000, 0.0001357100000000 ] - [ 0.0006256400000000, 0.0000756500000000, -0.0000656000000000 ] - [ -0.0009629500000000, -0.0002146700000000, 0.0000757800000000 ] - [ 0.0008498600000000, 0.0005075800000000, 0.0000174300000000 ] - [ 0.0007505400000000, 0.0002265000000000, -0.0009472500000000 ] - [ -0.0000810300000000, -0.0009036000000000, 0.0003525100000000 ] - [ 0.0010853000000000, -0.0005180100000000, -0.0013118900000000 ] - [ -0.0001293600000000, 0.0009239300000000, 0.0008037500000000 ] - [ 0.0007132800000000, 0.0000680300000000, -0.0007817200000000 ] - [ -0.0007637300000000, -0.0004035700000000, 0.0006295600000000 ] - [ 0.0007724800000000, 0.0000381500000000, -0.0008598100000000 ] - [ -0.0005973500000000, 0.0001689700000000, 0.0009825600000000 ] - [ 0.0013310900000000, 0.0005734500000000, -0.0007102800000000 ] - [ 0.0000894300000000, -0.0014297500000000, 0.0027478300000000 ] - [ 0.0006019800000000, 0.0000958500000000, -0.0004887200000000 ] - [ -0.0000958400000000, 0.0005338000000000, -0.0000651900000000 ] - [ 0.0019708500000000, 0.0009500000000000, 0.0026413600000000 ] - [ 0.0029275700000000, 0.0021418800000000, -0.0026874200000000 ] - [ 0.0011833600000000, 0.0006172400000000, 0.0014403600000000 ] - [ -0.0007011100000000, -0.0014283300000000, -0.0001324200000000 ] - [ 0.0032399700000000, 0.0002475900000000, -0.0005419700000000 ] - [ -0.0515550200000000, -0.0133758600000000, 0.0631443800000000 ] - [ 0.0018204200000000, -0.0001182300000000, -0.0006285300000000 ] - [ -0.0028632700000000, -0.0003627000000000, 0.0036294000000000 ] - [ -0.0005126500000000, -0.0000395600000000, -0.0023204700000000 ] - [ 0.0008109400000000, 0.0001246900000000, 0.0014127800000000 ] - [ -0.0004514900000000, 0.0000360300000000, -0.0011169300000000 ] - [ 0.0003877700000000, -0.0000564200000000, 0.0005070700000000 ] - [ -0.0009085300000000, 0.0001690400000000, -0.0061366900000000 ] - [ 0.0023859500000000, 0.0002629800000000, 0.0018897400000000 ] - [ -0.0007824800000000, -0.0003903900000000, -0.0020504900000000 ] - [ 0.0006565300000000, 0.0000621800000000, 0.0004155600000000 ] - [ 0.0021126900000000, 0.0034955200000000, 0.0057243800000000 ] - [ 0.0023143400000000, -0.0019546600000000, -0.0010179000000000 ] - [ 0.0049888500000000, -0.0084692100000000, 0.0132163400000000 ] - [ 0.0017094000000000, 0.0014572500000000, -0.0007100800000000 ] - [ 0.0065853800000000, 0.0004789800000000, 0.0001707900000000 ] - [ -0.1470305100000000, -0.0483133200000000, -0.1241379600000000 ] - [ 0.0031012300000000, -0.0001561700000000, 0.0003599900000000 ] - [ -0.0038282500000000, -0.0006772900000000, -0.0018195600000000 ] - [ -0.0019590300000000, 0.0007585800000000, -0.0082819900000000 ] - [ 0.0020604000000000, -0.0001175400000000, 0.0008374900000000 ] - [ -0.0014179000000000, -0.0001046600000000, 0.0003047000000000 ] - [ 0.0015368600000000, -0.0004321700000000, 0.0006223800000000 ] - [ -0.0014747600000000, -0.0005382300000000, 0.0021297200000000 ] - [ 0.0017746100000000, -0.0004753400000000, -0.0012302000000000 ] - [ -0.0014785200000000, -0.0000181800000000, 0.0029484800000000 ] - [ 0.0012199700000000, 0.0008534800000000, -0.0010269300000000 ] - [ -0.0005311200000000, 0.0000510400000000, 0.0002035000000000 ] - [ 0.0006899700000000, 0.0001203000000000, -0.0005258000000000 ] - [ -0.0002437100000000, -0.0001061900000000, 0.0004428700000000 ] - [ 0.0003196200000000, 0.0001093600000000, -0.0001990600000000 ] - [ -0.0027882300000000, -0.0019090700000000, -0.0002914500000000 ] - [ 0.0017682800000000, 0.0000526500000000, -0.0001519300000000 ] - [ -0.0033163300000000, 0.0034027100000000, 0.0022346300000000 ] - [ 0.0018610600000000, 0.0000963000000000, -0.0004317000000000 ] - [ 0.0004697200000000, -0.0000462100000000, 0.0002969600000000 ] - [ -0.0005863600000000, -0.0002783400000000, -0.0005150400000000 ] - [ 0.0005396100000000, 0.0000291500000000, 0.0003819700000000 ] - [ -0.0005264900000000, 0.0006480300000000, -0.0005138800000000 ] - [ 0.0026918100000000, 0.0056354100000000, -0.0023865600000000 ] - [ 0.0057125100000000, -0.0055167800000000, 0.0005882200000000 ] - [ 0.0068861400000000, -0.0115207800000000, -0.0052850900000000 ] - [ 0.0033011200000000, 0.0035115500000000, 0.0003574800000000 ] - [ -0.1680659100000000, 0.0634071000000000, 0.0085182500000000 ] - [ 0.0066757500000000, -0.0002967500000000, -0.0001306100000000 ] - [ -0.0019054500000000, 0.0015160700000000, 0.0001333300000000 ] - [ 0.0029976400000000, -0.0022127700000000, -0.0003171300000000 ] - [ 0.4397381600000000, 0.0285170400000000, 0.0452497100000000 ] - [ -0.0102572100000000, -0.0003845100000000, -0.0007035800000000 ] - [ 0.0062658400000000, 0.0020331900000000, -0.0012047600000000 ] - [ -0.0054899000000000, -0.0002810800000000, -0.0003542700000000 ] - [ -0.0018585900000000, -0.0008788500000000, -0.0078158800000000 ] - [ -0.0030941800000000, 0.0037970500000000, 0.0025920200000000 ] - [ -0.0030661400000000, -0.0002608900000000, -0.0114669900000000 ] - [ -0.0018762600000000, -0.0046658000000000, 0.0029677900000000 ] - [ -0.0085746100000000, -0.0245635000000000, -0.0006291800000000 ] - [ -0.0076262400000000, 0.0035776600000000, 0.0018191500000000 ] - [ -0.0087324100000000, 0.0534676000000000, -0.0049907400000000 ] - [ -0.0076426000000000, -0.0035100900000000, 0.0005915900000000 ] - [ 0.0014556100000000, 0.0001397000000000, -0.0001101100000000 ] - [ -0.0012912600000000, 0.0003092100000000, 0.0003534400000000 ] - [ 0.0015853400000000, -0.0004792300000000, -0.0002900900000000 ] - [ -0.0014342500000000, 0.0000102800000000, 0.0003311000000000 ] - [ -0.0020210300000000, -0.0006476900000000, 0.0009940000000000 ] - [ 0.0019094100000000, 0.0032093900000000, -0.0015542700000000 ] - [ -0.0020193800000000, 0.0001174200000000, 0.0012403600000000 ] - [ 0.0005331700000000, -0.0015707600000000, -0.0017451900000000 ] - [ 0.0019481800000000, 0.0000450700000000, 0.0011527300000000 ] - [ -0.0015774900000000, -0.0004127900000000, -0.0005350600000000 ] - [ 0.0013196000000000, 0.0002674000000000, 0.0003323800000000 ] - [ -0.0009536400000000, -0.0000052800000000, -0.0001933500000000 ] - [ -0.0019509100000000, 0.0005738900000000, 0.0039407100000000 ] - [ -0.0019666400000000, -0.0009163900000000, -0.0034084100000000 ] - [ -0.0003457200000000, -0.0001214800000000, 0.0020130100000000 ] - [ -0.0003545700000000, 0.0005559300000000, -0.0004820700000000 ] - [ -0.0044967000000000, -0.0004387300000000, -0.0016877000000000 ] - [ -0.0097524300000000, 0.0030635300000000, 0.0241812900000000 ] - [ -0.0031209100000000, 0.0013046300000000, -0.0006214700000000 ] - [ 0.0036298400000000, -0.0013263500000000, -0.0025533800000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021435400000000, -0.0076026300000000, 0.0028602200000000 ] - [ 0.0026405500000000, -0.0026608700000000, 0.0000450200000000 ] - [ 0.0008594700000000, 0.0036006500000000, -0.0007568600000000 ] - [ -0.0007602500000000, 0.0014840400000000, -0.0001606700000000 ] - [ -0.0004382500000000, -0.0011264200000000, -0.0002009600000000 ] - [ 0.0003077800000000, -0.0004132400000000, -0.0001598600000000 ] - [ -0.0001105400000000, 0.0009155200000000, 0.0002571400000000 ] - [ 0.0000418900000000, 0.0003683600000000, 0.0000730700000000 ] - [ -0.0007985700000000, -0.0027985000000000, 0.0048317600000000 ] - [ 0.0001569700000000, -0.0003235800000000, 0.0002447800000000 ] - [ -0.0001372600000000, 0.0020734800000000, -0.0012529300000000 ] - [ 0.0001078300000000, 0.0004037500000000, -0.0001748100000000 ] - [ -0.0000210500000000, -0.0001628200000000, -0.0000831900000000 ] - [ 0.0001298500000000, -0.0001779400000000, -0.0004698800000000 ] - [ 0.0000876300000000, 0.0001623100000000, 0.0001045200000000 ] - [ -0.0000662200000000, 0.0001558300000000, 0.0000744200000000 ] - [ 0.0015546600000000, -0.0007940000000000, -0.0051142700000000 ] - [ -0.0001206800000000, -0.0006130700000000, -0.0005692400000000 ] - [ -0.0004915000000000, 0.0013999000000000, 0.0020474700000000 ] - [ 0.0003249500000000, 0.0004354800000000, 0.0004786300000000 ] - [ 0.0001606700000000, -0.0001737600000000, 0.0004427700000000 ] - [ 0.0000112700000000, -0.0001511300000000, 0.0000028600000000 ] - [ -0.0001616800000000, 0.0001690700000000, -0.0003388200000000 ] - [ 0.0000470100000000, 0.0001512000000000, -0.0002082900000000 ] - [ 0.0025356000000000, 0.0002402200000000, -0.0006206100000000 ] - [ -0.0103045500000000, 0.0066817200000000, -0.0111228600000000 ] - [ -0.0014488800000000, 0.0001896200000000, 0.0004942800000000 ] - [ 0.0052034600000000, 0.0082553600000000, 0.0069706900000000 ] - [ -0.0006537000000000, -0.0002263300000000, 0.0007154700000000 ] - [ 0.0002681100000000, 0.0000549200000000, 0.0003263900000000 ] - [ 0.0001627000000000, 0.0004958800000000, -0.0006120200000000 ] - [ 0.0000324600000000, -0.0000198400000000, -0.0001455800000000 ] - [ -0.0000419900000000, 0.0005422100000000, 0.0002517500000000 ] - [ -0.0002222500000000, 0.0003443800000000, 0.0000636700000000 ] - [ 0.0003334100000000, -0.0005126000000000, 0.0000417100000000 ] - [ 0.0000735400000000, -0.0002323400000000, 0.0000614700000000 ] - [ -0.0025298600000000, 0.0022153100000000, -0.0018839600000000 ] - [ -0.0015012100000000, 0.0056794300000000, 0.0008838500000000 ] - [ 0.0013757600000000, -0.0015861900000000, 0.0008715900000000 ] - [ 0.0001932200000000, -0.0022630800000000, 0.0002886100000000 ] - [ 0.0266732000000000, 0.1857122300000000, -0.0103699300000000 ] - [ 0.0005049100000000, 0.0016606000000000, -0.0001836900000000 ] - [ -0.0012810700000000, -0.0186281300000000, -0.0003174500000000 ] - [ -0.0007844100000000, -0.0015734000000000, 0.0000902500000000 ] - [ 0.0000132700000000, -0.0000292600000000, 0.0000383600000000 ] - [ -0.0001466800000000, -0.0000118200000000, 0.0000916300000000 ] - [ 0.0001095200000000, 0.0000845500000000, 0.0001064700000000 ] - [ -0.0001474500000000, -0.0000490200000000, 0.0000793600000000 ] - [ -0.0004670700000000, -0.0002071800000000, 0.0009633000000000 ] - [ 0.0011137900000000, -0.0001478500000000, 0.0006193900000000 ] - [ 0.0003283700000000, 0.0000469600000000, -0.0005873700000000 ] - [ -0.0005109100000000, -0.0000394700000000, -0.0006679400000000 ] - [ -0.0002115600000000, 0.0002310800000000, 0.0004325000000000 ] - [ 0.0001993100000000, 0.0005828800000000, 0.0016607900000000 ] - [ 0.0000234800000000, -0.0001576800000000, -0.0001583900000000 ] - [ 0.0000212500000000, -0.0002891300000000, -0.0009999800000000 ] - [ 0.0004180800000000, 0.0008910400000000, -0.0000518600000000 ] - [ 0.0004955300000000, 0.0024193600000000, -0.0013452000000000 ] - [ -0.0004567600000000, -0.0008283400000000, -0.0000053500000000 ] - [ -0.0005132100000000, -0.0017236100000000, 0.0000362600000000 ] - [ 0.0015093900000000, 0.0021081900000000, 0.0010985300000000 ] - [ -0.0013385100000000, -0.0007092900000000, 0.0016225500000000 ] - [ -0.0016720400000000, -0.0032246300000000, -0.0018111000000000 ] - [ 0.0001123300000000, -0.0005245200000000, -0.0007523600000000 ] - [ 0.0001130000000000, 0.0012386800000000, 0.0005216300000000 ] - [ 0.0137209500000000, 0.0349686400000000, -0.0365033300000000 ] - [ -0.0003344600000000, -0.0011037500000000, -0.0001416200000000 ] - [ 0.0010092900000000, -0.0054583500000000, -0.0018385500000000 ] - [ 0.0000635700000000, 0.0001902900000000, -0.0003677300000000 ] - [ -0.0001825900000000, 0.0001856500000000, -0.0004212700000000 ] - [ 0.0000775500000000, -0.0002497800000000, 0.0004611000000000 ] - [ 0.0000266400000000, -0.0002239900000000, 0.0002179500000000 ] - [ 0.0008762400000000, 0.0032167700000000, -0.0014885300000000 ] - [ -0.0007906100000000, 0.0008421800000000, -0.0005776900000000 ] - [ -0.0003955600000000, -0.0020139300000000, 0.0006239000000000 ] - [ -0.0000039700000000, -0.0007504500000000, 0.0000768600000000 ] - [ -0.0133007300000000, -0.0029011100000000, -0.0158448700000000 ] - [ 0.0010228100000000, -0.0000298000000000, -0.0015991800000000 ] - [ 0.0043799300000000, -0.0046541200000000, 0.0073231700000000 ] - [ -0.0009804100000000, -0.0006931400000000, 0.0006904600000000 ] - [ 0.0011063900000000, 0.0021719600000000, -0.0003647100000000 ] - [ 0.0502528300000000, 0.0631213000000000, 0.0601918400000000 ] - [ -0.0009503400000000, -0.0021854800000000, -0.0000106700000000 ] - [ 0.0012290000000000, -0.0086039700000000, 0.0008405700000000 ] - [ -0.0000204100000000, 0.0001790800000000, 0.0029957800000000 ] - [ 0.0000091400000000, 0.0007644800000000, 0.0000617300000000 ] - [ 0.0004257900000000, -0.0009615000000000, -0.0006614200000000 ] - [ -0.0004126600000000, -0.0007154700000000, -0.0002492500000000 ] - [ 0.0000807000000000, 0.0006028400000000, -0.0029240500000000 ] - [ -0.0002275500000000, 0.0002287100000000, -0.0005397000000000 ] - [ 0.0002684100000000, -0.0006847000000000, 0.0016442200000000 ] - [ -0.0004408500000000, -0.0005691800000000, 0.0005885700000000 ] - [ 0.0000989700000000, 0.0005126400000000, -0.0000473500000000 ] - [ -0.0001366500000000, 0.0002808100000000, 0.0001662800000000 ] - [ 0.0001055000000000, -0.0003606100000000, -0.0000103400000000 ] - [ 0.0000207500000000, -0.0001831700000000, 0.0000707600000000 ] - [ 0.0024245900000000, 0.0006441600000000, 0.0063402400000000 ] - [ -0.0004371600000000, 0.0003628900000000, 0.0006830600000000 ] - [ -0.0007521700000000, -0.0019055700000000, -0.0031623000000000 ] - [ 0.0000680200000000, -0.0002781000000000, -0.0004518900000000 ] - [ -0.0002263600000000, 0.0001389200000000, -0.0001970600000000 ] - [ 0.0000908900000000, 0.0002306600000000, 0.0001817200000000 ] - [ 0.0000023000000000, -0.0000238200000000, 0.0001371100000000 ] - [ -0.0000210300000000, -0.0002329200000000, 0.0002398900000000 ] - [ -0.0173947400000000, -0.0006737100000000, 0.0068092900000000 ] - [ 0.0038462800000000, 0.0013520800000000, 0.0014497100000000 ] - [ 0.0044952400000000, -0.0061978800000000, -0.0029148400000000 ] - [ -0.0020413500000000, -0.0019876400000000, -0.0005843400000000 ] - [ -0.0645913700000000, 0.0672200600000000, 0.0033526900000000 ] - [ -0.0016660500000000, 0.0011138900000000, 0.0003129100000000 ] - [ -0.0007255500000000, -0.0182151700000000, 0.0005874900000000 ] - [ 0.0005640000000000, -0.0013515100000000, -0.0001057100000000 ] - [ -0.0299672100000000, -0.4036434000000000, -0.0196087800000000 ] - [ 0.0003767100000000, -0.0038507100000000, -0.0005790700000000 ] - [ -0.0020195000000000, 0.0261683300000000, 0.0003773400000000 ] - [ 0.0002710200000000, 0.0029791000000000, 0.0003279100000000 ] - [ 0.0046489600000000, 0.0016709600000000, 0.0117001200000000 ] - [ 0.0002524400000000, -0.0002302300000000, 0.0030988300000000 ] - [ -0.0038038700000000, -0.0002493800000000, -0.0069397600000000 ] - [ 0.0008681200000000, 0.0016447600000000, -0.0020291200000000 ] - [ 0.0532915600000000, 0.0394399800000000, 0.0055267000000000 ] - [ -0.0035185000000000, 0.0010221700000000, 0.0012147000000000 ] - [ -0.0246953600000000, 0.0395973600000000, -0.0010753000000000 ] - [ 0.0036089300000000, 0.0010038300000000, -0.0003390100000000 ] - [ 0.0001286500000000, -0.0006997400000000, -0.0006639500000000 ] - [ 0.0003020400000000, -0.0004405600000000, -0.0001323700000000 ] - [ -0.0004855400000000, 0.0006085800000000, 0.0002170600000000 ] - [ -0.0000014500000000, 0.0003244300000000, -0.0000296600000000 ] - [ 0.0006541900000000, -0.0013149700000000, -0.0011472200000000 ] - [ -0.0031922500000000, -0.0039811500000000, -0.0030086900000000 ] - [ -0.0001062700000000, 0.0010264900000000, 0.0006234900000000 ] - [ 0.0015791600000000, 0.0021671400000000, 0.0021327100000000 ] - [ -0.0000357000000000, -0.0004557500000000, 0.0000645600000000 ] - [ 0.0004182300000000, -0.0001847200000000, 0.0001223800000000 ] - [ -0.0002565300000000, 0.0004266600000000, -0.0002660500000000 ] - [ 0.0000119600000000, 0.0002126300000000, -0.0002011300000000 ] - [ -0.0009229800000000, -0.0006600400000000, 0.0008775300000000 ] - [ 0.0005578600000000, -0.0006613000000000, 0.0014768400000000 ] - [ 0.0005438800000000, 0.0013114300000000, -0.0009265000000000 ] - [ -0.0001238700000000, 0.0013129000000000, -0.0005027800000000 ] - [ -0.0004280600000000, -0.0039699600000000, -0.0003831900000000 ] - [ 0.0030445900000000, -0.0035885000000000, -0.0063313900000000 ] - [ 0.0013097400000000, 0.0032825300000000, 0.0002111800000000 ] - [ -0.0013066600000000, 0.0035994600000000, 0.0024840000000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021589200000000, 0.0076252200000000, -0.0029389300000000 ] - [ -0.0026643000000000, 0.0026559200000000, -0.0001257100000000 ] - [ -0.0008747300000000, -0.0036062800000000, 0.0006931200000000 ] - [ 0.0007632200000000, -0.0014857300000000, 0.0000896600000000 ] - [ 0.0004595000000000, 0.0011276800000000, 0.0002712500000000 ] - [ -0.0003076700000000, 0.0004241900000000, 0.0002270800000000 ] - [ 0.0001309600000000, -0.0009186000000000, -0.0001898500000000 ] - [ -0.0000348100000000, -0.0003637800000000, -0.0000096900000000 ] - [ 0.0007798500000000, 0.0027710700000000, -0.0047999900000000 ] - [ -0.0001649500000000, 0.0003240700000000, -0.0001777400000000 ] - [ 0.0001263300000000, -0.0020715000000000, 0.0013266400000000 ] - [ -0.0001175900000000, -0.0004050100000000, 0.0002407400000000 ] - [ 0.0000301400000000, 0.0001586300000000, 0.0000190100000000 ] - [ -0.0001271400000000, 0.0001721700000000, 0.0004124900000000 ] - [ -0.0000719800000000, -0.0001629300000000, -0.0001695600000000 ] - [ 0.0000767200000000, -0.0001583800000000, -0.0001402600000000 ] - [ -0.0015440600000000, 0.0008039000000000, 0.0051898500000000 ] - [ 0.0001309500000000, 0.0006161200000000, 0.0006387300000000 ] - [ 0.0004917500000000, -0.0014105200000000, -0.0019775100000000 ] - [ -0.0003094700000000, -0.0004360600000000, -0.0004023600000000 ] - [ -0.0001687900000000, 0.0001696000000000, -0.0005090300000000 ] - [ -0.0000192400000000, 0.0001523400000000, -0.0000653500000000 ] - [ 0.0001455200000000, -0.0001680800000000, 0.0002664900000000 ] - [ -0.0000581600000000, -0.0001533700000000, 0.0001447900000000 ] - [ -0.0025373100000000, -0.0002414500000000, 0.0005593200000000 ] - [ 0.0103747500000000, -0.0067319100000000, 0.0111520600000000 ] - [ 0.0014605700000000, -0.0001965500000000, -0.0005611100000000 ] - [ -0.0051243900000000, -0.0081904000000000, -0.0069334600000000 ] - [ 0.0006474300000000, 0.0002351900000000, -0.0006480900000000 ] - [ -0.0002813700000000, -0.0000514300000000, -0.0002623800000000 ] - [ -0.0001681600000000, -0.0005053600000000, 0.0006757600000000 ] - [ -0.0000438500000000, 0.0000199300000000, 0.0002115000000000 ] - [ 0.0001132900000000, -0.0005187900000000, -0.0001324900000000 ] - [ 0.0003004100000000, -0.0003185300000000, 0.0000590900000000 ] - [ -0.0002590000000000, 0.0005403400000000, 0.0000811600000000 ] - [ -0.0000005600000000, 0.0002588600000000, 0.0000610700000000 ] - [ 0.0024610900000000, -0.0022515000000000, 0.0017660300000000 ] - [ 0.0014427900000000, -0.0057644400000000, -0.0010236400000000 ] - [ -0.0014521200000000, 0.0015636100000000, -0.0009926400000000 ] - [ -0.0002794700000000, 0.0022530500000000, -0.0004009700000000 ] - [ -0.0299253700000000, -0.1995543800000000, 0.0117574700000000 ] - [ -0.0004315500000000, -0.0016968700000000, 0.0003108700000000 ] - [ 0.0014332400000000, 0.0184415200000000, 0.0004347700000000 ] - [ 0.0008584800000000, 0.0015511600000000, 0.0000375100000000 ] - [ -0.0000880800000000, 0.0000522300000000, 0.0000838800000000 ] - [ 0.0000701300000000, 0.0000364800000000, 0.0000308500000000 ] - [ -0.0001844600000000, -0.0000540600000000, 0.0000157200000000 ] - [ 0.0000737500000000, 0.0000794300000000, 0.0000436500000000 ] - [ 0.0005430100000000, 0.0002308600000000, -0.0010894800000000 ] - [ -0.0010408600000000, 0.0001689900000000, -0.0007456200000000 ] - [ -0.0002587800000000, -0.0000148600000000, 0.0004662600000000 ] - [ 0.0005802900000000, 0.0000735600000000, 0.0005444700000000 ] - [ 0.0002120400000000, -0.0001905700000000, -0.0004354600000000 ] - [ -0.0001996300000000, -0.0005440100000000, -0.0016668100000000 ] - [ -0.0000240800000000, 0.0002019800000000, 0.0001565200000000 ] - [ -0.0000213700000000, 0.0003337500000000, 0.0009920700000000 ] - [ -0.0004997100000000, -0.0008675400000000, -0.0000712000000000 ] - [ -0.0005695500000000, -0.0024005100000000, 0.0012362400000000 ] - [ 0.0003832600000000, 0.0008566700000000, -0.0001200700000000 ] - [ 0.0004338100000000, 0.0017516000000000, -0.0001665000000000 ] - [ -0.0014388800000000, -0.0021320400000000, -0.0012244400000000 ] - [ 0.0014583600000000, 0.0007178500000000, -0.0017763600000000 ] - [ 0.0017507900000000, 0.0032031500000000, 0.0016946000000000 ] - [ -0.0000461800000000, 0.0004878000000000, 0.0006379800000000 ] - [ -0.0001155900000000, -0.0012847300000000, -0.0005224200000000 ] - [ -0.0140521400000000, -0.0356627400000000, 0.0373362900000000 ] - [ 0.0003345900000000, 0.0010629100000000, 0.0001457100000000 ] - [ -0.0010229700000000, 0.0054075600000000, 0.0018773500000000 ] - [ -0.0000653700000000, -0.0001466700000000, 0.0003713300000000 ] - [ 0.0001836600000000, -0.0001415200000000, 0.0004197600000000 ] - [ -0.0000786400000000, 0.0002919000000000, -0.0004657900000000 ] - [ -0.0000282500000000, 0.0002660200000000, -0.0002230400000000 ] - [ -0.0009561200000000, -0.0031104500000000, 0.0014640100000000 ] - [ 0.0007307500000000, -0.0007349400000000, 0.0005385800000000 ] - [ 0.0003342100000000, 0.0021249600000000, -0.0006748500000000 ] - [ -0.0000699600000000, 0.0008575200000000, -0.0001214700000000 ] - [ 0.0133624600000000, 0.0028752700000000, 0.0159144700000000 ] - [ -0.0010222600000000, -0.0000214300000000, 0.0016110000000000 ] - [ -0.0043549400000000, 0.0046524900000000, -0.0073247800000000 ] - [ 0.0009778900000000, 0.0006610300000000, -0.0006782800000000 ] - [ -0.0011876500000000, -0.0022807800000000, 0.0004122200000000 ] - [ -0.0501730100000000, -0.0641494400000000, -0.0598794100000000 ] - [ 0.0008860800000000, 0.0020856300000000, 0.0000542900000000 ] - [ -0.0013095900000000, 0.0084831100000000, -0.0008074600000000 ] - [ 0.0000817100000000, -0.0002773500000000, -0.0031020100000000 ] - [ 0.0000672900000000, -0.0008711100000000, -0.0001046700000000 ] - [ -0.0003564900000000, 0.0008553100000000, 0.0006287400000000 ] - [ 0.0004864000000000, 0.0006081600000000, 0.0002113300000000 ] - [ -0.0001516700000000, -0.0007153200000000, 0.0028915900000000 ] - [ 0.0001609200000000, -0.0003441800000000, 0.0004966700000000 ] - [ -0.0003389900000000, 0.0005854500000000, -0.0016862400000000 ] - [ 0.0003742700000000, 0.0004709800000000, -0.0006320800000000 ] - [ -0.0000320400000000, -0.0004038700000000, 0.0000921600000000 ] - [ 0.0002099400000000, -0.0001771500000000, -0.0001304500000000 ] - [ -0.0000341800000000, 0.0004678300000000, 0.0000530100000000 ] - [ 0.0000471200000000, 0.0002890200000000, -0.0000295600000000 ] - [ -0.0023635700000000, -0.0005553300000000, -0.0064104600000000 ] - [ 0.0005099200000000, -0.0002589300000000, -0.0007309200000000 ] - [ 0.0008233500000000, 0.0020204500000000, 0.0030980300000000 ] - [ 0.0000030200000000, 0.0003866300000000, 0.0004073200000000 ] - [ 0.0001526800000000, -0.0000329000000000, 0.0002374100000000 ] - [ -0.0001592000000000, -0.0001288000000000, -0.0001381800000000 ] - [ -0.0000717700000000, 0.0001306700000000, -0.0000932400000000 ] - [ -0.0000485400000000, 0.0003477300000000, -0.0002029000000000 ] - [ 0.0175067100000000, 0.0005775600000000, -0.0067813900000000 ] - [ -0.0037990100000000, -0.0014786100000000, -0.0014109100000000 ] - [ -0.0044077100000000, 0.0061555700000000, 0.0029711100000000 ] - [ 0.0020873900000000, 0.0018873800000000, 0.0006249100000000 ] - [ 0.0620958400000000, -0.0667885600000000, -0.0029893500000000 ] - [ 0.0015967900000000, -0.0011314700000000, -0.0001880600000000 ] - [ 0.0006231100000000, 0.0180536900000000, -0.0004699900000000 ] - [ -0.0006409900000000, 0.0013225000000000, 0.0002306400000000 ] - [ 0.0361521600000000, 0.4190657700000000, 0.0168468100000000 ] - [ -0.0004357800000000, 0.0039133600000000, 0.0005328100000000 ] - [ 0.0019678100000000, -0.0259556100000000, -0.0004496500000000 ] - [ -0.0003336700000000, -0.0029367900000000, -0.0003786600000000 ] - [ -0.0047220000000000, -0.0016199500000000, -0.0117077700000000 ] - [ -0.0003255200000000, 0.0002995000000000, -0.0030645700000000 ] - [ 0.0037453000000000, 0.0002802400000000, 0.0069785700000000 ] - [ -0.0009312800000000, -0.0016462000000000, 0.0020607500000000 ] - [ -0.0534151800000000, -0.0397415900000000, -0.0055357400000000 ] - [ 0.0035908700000000, -0.0009654600000000, -0.0012798600000000 ] - [ 0.0243268900000000, -0.0395814300000000, 0.0010308200000000 ] - [ -0.0035349700000000, -0.0009830300000000, 0.0002803300000000 ] - [ -0.0001937700000000, 0.0006595800000000, 0.0006195400000000 ] - [ -0.0003629600000000, 0.0003949600000000, 0.0000897500000000 ] - [ 0.0004251800000000, -0.0006586600000000, -0.0002556700000000 ] - [ -0.0000643300000000, -0.0003711400000000, -0.0000153800000000 ] - [ -0.0005923200000000, 0.0012741800000000, 0.0011986300000000 ] - [ 0.0032659800000000, 0.0039581200000000, 0.0030656100000000 ] - [ 0.0001724500000000, -0.0010780800000000, -0.0005758100000000 ] - [ -0.0015055500000000, -0.0022234000000000, -0.0020734000000000 ] - [ 0.0001019700000000, 0.0004032900000000, -0.0001102700000000 ] - [ -0.0003617900000000, 0.0001349100000000, -0.0001649200000000 ] - [ 0.0003219500000000, -0.0004696700000000, 0.0002233600000000 ] - [ 0.0000521600000000, -0.0002607500000000, 0.0001580300000000 ] - [ 0.0008707700000000, 0.0006084800000000, -0.0008382700000000 ] - [ -0.0006272000000000, 0.0006066100000000, -0.0014409100000000 ] - [ -0.0006119900000000, -0.0013576800000000, 0.0009827200000000 ] - [ 0.0000671000000000, -0.0013561100000000, 0.0005559300000000 ] - [ 0.0004931700000000, 0.0040304700000000, 0.0004317400000000 ] - [ -0.0030230900000000, 0.0036480000000000, 0.0064291200000000 ] - [ -0.0012519400000000, -0.0032394100000000, -0.0001724400000000 ] - [ 0.0013903900000000, -0.0035570200000000, -0.0024831900000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0050967300000000, 0.0002777700000000, -0.0004224800000000 ] - [ 0.0101245800000000, -0.0013110200000000, 0.0005217300000000 ] - [ -0.0003454000000000, -0.0000095600000000, -0.0004829400000000 ] - [ 0.0003370900000000, 0.0003661600000000, -0.0006603200000000 ] - [ 0.0033819700000000, 0.0003161600000000, 0.0025540500000000 ] - [ -0.0019628400000000, 0.0004498000000000, 0.0019519400000000 ] - [ 0.0005515200000000, -0.0000366300000000, 0.0005278200000000 ] - [ -0.0005527400000000, -0.0001512900000000, 0.0008179900000000 ] - [ -0.0016386300000000, 0.0033791600000000, 0.0165044600000000 ] - [ 0.0005428300000000, 0.0001719100000000, -0.0002131000000000 ] - [ -0.0002092400000000, -0.0004495600000000, -0.0002999700000000 ] - [ 0.0002267000000000, -0.0000611700000000, -0.0001461900000000 ] - [ 0.0000794800000000, -0.0000435100000000, 0.0007728100000000 ] - [ -0.0008409300000000, -0.0001898500000000, 0.0035563100000000 ] - [ 0.0000284500000000, 0.0000406700000000, 0.0005830900000000 ] - [ 0.0000072600000000, 0.0001520300000000, 0.0011656000000000 ] - [ -0.0022069500000000, -0.0022602500000000, 0.0012946700000000 ] - [ 0.0008956200000000, -0.0006556700000000, 0.0002807000000000 ] - [ -0.0014507300000000, 0.0012737600000000, 0.0001785200000000 ] - [ 0.0008185600000000, 0.0005281700000000, 0.0002531200000000 ] - [ 0.0003547900000000, 0.0001155400000000, 0.0010560500000000 ] - [ -0.0004754100000000, 0.0003338500000000, 0.0017928300000000 ] - [ 0.0002575200000000, -0.0001216100000000, 0.0008860100000000 ] - [ -0.0002793200000000, -0.0003342700000000, 0.0014271600000000 ] - [ -0.0004893800000000, -0.0002034100000000, -0.0005250600000000 ] - [ 0.0020464600000000, -0.0094831100000000, -0.0003053600000000 ] - [ -0.0002968300000000, 0.0002035300000000, -0.0004956100000000 ] - [ 0.0022674400000000, 0.0110035800000000, 0.0005371400000000 ] - [ 0.0012825900000000, 0.0020864200000000, 0.0024503600000000 ] - [ -0.0007164300000000, 0.0002479700000000, 0.0005525800000000 ] - [ 0.0007349800000000, -0.0028715800000000, 0.0025209800000000 ] - [ -0.0007161800000000, -0.0001321500000000, 0.0005561000000000 ] - [ -0.0005458800000000, -0.0003397700000000, -0.0025254800000000 ] - [ 0.0002491900000000, -0.0000977600000000, -0.0013327500000000 ] - [ -0.0002829800000000, 0.0000146500000000, -0.0014721500000000 ] - [ 0.0001073300000000, -0.0000752300000000, -0.0010208500000000 ] - [ -0.0006561800000000, -0.0000832800000000, 0.0006527200000000 ] - [ 0.0093741700000000, -0.0140549700000000, -0.0085955000000000 ] - [ -0.0004646300000000, 0.0006103900000000, 0.0006783500000000 ] - [ 0.0004370200000000, 0.0049797000000000, -0.0003050100000000 ] - [ 0.0024274300000000, -0.0093852900000000, 0.0353453200000000 ] - [ -0.0002731300000000, 0.0000738300000000, 0.0022666300000000 ] - [ 0.0005233700000000, -0.0026948100000000, 0.0046924900000000 ] - [ -0.0004839500000000, -0.0003884500000000, 0.0020117800000000 ] - [ -0.0001823100000000, -0.0002886300000000, -0.0014708600000000 ] - [ 0.0002541300000000, -0.0001418500000000, -0.0013096300000000 ] - [ -0.0002263000000000, -0.0000074500000000, -0.0016691900000000 ] - [ 0.0003330900000000, 0.0000585400000000, -0.0014614200000000 ] - [ 0.0006545800000000, 0.0006051000000000, -0.0009939200000000 ] - [ -0.0013762300000000, 0.0014351900000000, -0.0012919400000000 ] - [ 0.0015520400000000, -0.0013618600000000, -0.0013206600000000 ] - [ -0.0010030300000000, -0.0005835800000000, -0.0018801300000000 ] - [ 0.0007047400000000, 0.0001718100000000, -0.0026249700000000 ] - [ 0.0010216500000000, 0.0003154500000000, -0.0055449500000000 ] - [ 0.0007494600000000, -0.0000944500000000, -0.0025300900000000 ] - [ 0.0007982500000000, -0.0001943100000000, -0.0054008600000000 ] - [ 0.0016098800000000, 0.0007308500000000, -0.0012838200000000 ] - [ -0.0021049400000000, 0.0009428100000000, -0.0042671300000000 ] - [ 0.0002656000000000, -0.0000162700000000, -0.0006685100000000 ] - [ -0.0012999800000000, -0.0009513200000000, -0.0013417700000000 ] - [ -0.0022330700000000, 0.0005872600000000, 0.0004834800000000 ] - [ 0.0132245800000000, 0.0074912400000000, -0.0088311100000000 ] - [ -0.0007573100000000, -0.0008070900000000, 0.0005512300000000 ] - [ 0.0008635700000000, -0.0016852400000000, 0.0005793500000000 ] - [ -0.0009517900000000, 0.0000154700000000, 0.0037485600000000 ] - [ -0.0646010900000000, -0.0366337100000000, 0.2157052800000000 ] - [ -0.0006536400000000, -0.0001099000000000, 0.0026978300000000 ] - [ -0.0019593900000000, -0.0000145900000000, 0.0057250200000000 ] - [ -0.0005702300000000, -0.0001395300000000, -0.0048781100000000 ] - [ -0.0014780300000000, -0.0000297400000000, -0.0049216000000000 ] - [ -0.0005042000000000, 0.0000113100000000, -0.0026873300000000 ] - [ -0.0009976600000000, 0.0001169700000000, -0.0032216200000000 ] - [ 0.0055282500000000, -0.0006395900000000, -0.0052955700000000 ] - [ -0.0024741000000000, 0.0000513600000000, -0.0020072200000000 ] - [ 0.0009944500000000, -0.0000557400000000, -0.0005528900000000 ] - [ -0.0006950800000000, 0.0000102700000000, -0.0004073300000000 ] - [ 0.0009527700000000, -0.0023992200000000, 0.0065206700000000 ] - [ 0.0039083500000000, -0.0016751500000000, 0.0070555500000000 ] - [ 0.0002788700000000, -0.0014169100000000, 0.0071225800000000 ] - [ 0.0032440700000000, 0.0016356300000000, 0.0071018800000000 ] - [ 0.0007456800000000, 0.0000868500000000, 0.0014386400000000 ] - [ 0.1302675000000000, 0.0627354800000000, 0.1965541800000000 ] - [ 0.0004296800000000, 0.0001677500000000, 0.0011497100000000 ] - [ 0.0003486400000000, 0.0004918100000000, 0.0022993000000000 ] - [ -0.0012838800000000, 0.0014586800000000, -0.0152170600000000 ] - [ 0.0006661700000000, -0.0001150300000000, -0.0001747600000000 ] - [ -0.0009093200000000, -0.0002535200000000, -0.0005606000000000 ] - [ 0.0005585200000000, -0.0001193200000000, -0.0000099800000000 ] - [ -0.0026012100000000, -0.0017474900000000, -0.0007448200000000 ] - [ 0.0035726900000000, -0.0011479600000000, -0.0014504300000000 ] - [ -0.0018994100000000, 0.0012923700000000, -0.0001936800000000 ] - [ 0.0023422600000000, 0.0023013000000000, -0.0012993000000000 ] - [ -0.0003687700000000, 0.0002797700000000, -0.0022931700000000 ] - [ 0.0013620600000000, 0.0002615700000000, -0.0033805900000000 ] - [ 0.0000549100000000, 0.0001767700000000, -0.0014390600000000 ] - [ 0.0006123100000000, 0.0002639400000000, -0.0019628900000000 ] - [ -0.0002173600000000, 0.0036421000000000, -0.0039456400000000 ] - [ -0.0002043100000000, 0.0004371800000000, -0.0002861100000000 ] - [ 0.0000022000000000, -0.0046631200000000, -0.0053407300000000 ] - [ -0.0002160900000000, -0.0003391100000000, -0.0002921400000000 ] - [ -0.0002442100000000, 0.0000759100000000, -0.0013590500000000 ] - [ -0.0006077400000000, -0.0004174800000000, -0.0034469400000000 ] - [ -0.0002182100000000, 0.0002709100000000, -0.0013205200000000 ] - [ -0.0004159400000000, 0.0013648800000000, -0.0035156400000000 ] - [ 0.0016101800000000, 0.0022644800000000, 0.0023375000000000 ] - [ -0.0049992300000000, 0.0041629700000000, 0.0039249900000000 ] - [ 0.0004607500000000, -0.0001807700000000, 0.0014732600000000 ] - [ -0.0043148000000000, -0.0036216600000000, 0.0030320600000000 ] - [ -0.0066150000000000, 0.0014972000000000, 0.0328488000000000 ] - [ -0.0019795300000000, -0.0001852700000000, 0.0033129200000000 ] - [ 0.0006757500000000, 0.0011775200000000, 0.0011398700000000 ] - [ -0.0006522000000000, 0.0002299400000000, 0.0023986400000000 ] - [ -0.0557337900000000, -0.0220060200000000, -0.5219402700000000 ] - [ 0.0006416500000000, -0.0005264700000000, -0.0045909300000000 ] - [ 0.0011388400000000, 0.0004348700000000, -0.0066404400000000 ] - [ 0.0002981200000000, 0.0003738900000000, -0.0033518400000000 ] - [ 0.0029192900000000, 0.0020628700000000, -0.0018067400000000 ] - [ -0.0114905100000000, 0.0069701200000000, -0.0029488000000000 ] - [ 0.0025595500000000, -0.0030489300000000, -0.0029462500000000 ] - [ -0.0078529500000000, -0.0116809700000000, -0.0018030100000000 ] - [ -0.0049284500000000, -0.0009901700000000, -0.0097815600000000 ] - [ 0.0006406600000000, -0.0002818800000000, -0.0108017900000000 ] - [ -0.0005348200000000, 0.0055196700000000, -0.0097873400000000 ] - [ 0.0018772800000000, 0.0012631800000000, -0.0107985000000000 ] - [ 0.0000516000000000, 0.0006163400000000, 0.0061495300000000 ] - [ -0.0004021500000000, 0.0000852300000000, 0.0031856200000000 ] - [ 0.0002377300000000, -0.0002586300000000, 0.0057743700000000 ] - [ -0.0003850400000000, -0.0000153700000000, 0.0030103700000000 ] - [ -0.0009405700000000, -0.0012043800000000, 0.0023228300000000 ] - [ 0.0016166000000000, -0.0030648900000000, 0.0076404700000000 ] - [ -0.0011916100000000, 0.0005787900000000, 0.0021295800000000 ] - [ 0.0018026700000000, 0.0020791200000000, 0.0067183400000000 ] - [ 0.0012050700000000, -0.0001111600000000, 0.0052567400000000 ] - [ -0.0004813500000000, -0.0001667700000000, 0.0054444000000000 ] - [ 0.0003822800000000, 0.0002196800000000, 0.0032814000000000 ] - [ -0.0001393100000000, 0.0001526100000000, 0.0038146600000000 ] - [ -0.0034808700000000, 0.0014468200000000, 0.0062116600000000 ] - [ 0.0038958700000000, 0.0008420400000000, 0.0061840700000000 ] - [ -0.0005392000000000, -0.0005560600000000, 0.0026249100000000 ] - [ 0.0019660700000000, -0.0009836400000000, 0.0026228100000000 ] - [ 0.0017249000000000, 0.0004320600000000, -0.0027190900000000 ] - [ -0.0240365500000000, 0.0064726100000000, 0.0602926300000000 ] - [ 0.0006682000000000, -0.0001677600000000, -0.0020618900000000 ] - [ 0.0026069200000000, -0.0024594600000000, -0.0033780600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0050669500000000, -0.0002758400000000, 0.0003197400000000 ] - [ -0.0101055200000000, 0.0013271500000000, -0.0005990000000000 ] - [ 0.0003396200000000, 0.0000059500000000, 0.0004104500000000 ] - [ -0.0003478400000000, -0.0003708100000000, 0.0005841300000000 ] - [ -0.0033800400000000, -0.0003151900000000, -0.0024987700000000 ] - [ 0.0019709600000000, -0.0004395600000000, -0.0018856100000000 ] - [ -0.0005360800000000, 0.0000362200000000, -0.0004590400000000 ] - [ 0.0005614700000000, 0.0001572400000000, -0.0007540200000000 ] - [ 0.0016484600000000, -0.0033045200000000, -0.0162362300000000 ] - [ -0.0005532900000000, -0.0001705700000000, 0.0002726300000000 ] - [ 0.0001996900000000, 0.0004448900000000, 0.0003549900000000 ] - [ -0.0002357700000000, 0.0000573400000000, 0.0002061400000000 ] - [ -0.0000717500000000, 0.0000391200000000, -0.0008355300000000 ] - [ 0.0008513700000000, 0.0001850600000000, -0.0036238200000000 ] - [ -0.0000157600000000, -0.0000419300000000, -0.0006432700000000 ] - [ 0.0000013600000000, -0.0001590400000000, -0.0012252000000000 ] - [ 0.0021979700000000, 0.0022373800000000, -0.0012343100000000 ] - [ -0.0008836600000000, 0.0006540900000000, -0.0002248400000000 ] - [ 0.0014541500000000, -0.0012676700000000, -0.0001254500000000 ] - [ -0.0008062000000000, -0.0005281400000000, -0.0001904900000000 ] - [ -0.0003648400000000, -0.0001206700000000, -0.0011196700000000 ] - [ 0.0004696500000000, -0.0003370000000000, -0.0018558700000000 ] - [ -0.0002706400000000, 0.0001225800000000, -0.0009519000000000 ] - [ 0.0002708300000000, 0.0003293300000000, -0.0014860200000000 ] - [ 0.0004994900000000, 0.0002021600000000, 0.0004595900000000 ] - [ -0.0020130200000000, 0.0094405000000000, 0.0001927700000000 ] - [ 0.0003089100000000, -0.0002036000000000, 0.0004231600000000 ] - [ -0.0022348000000000, -0.0109735000000000, -0.0006322600000000 ] - [ -0.0012952300000000, -0.0020902900000000, -0.0023908600000000 ] - [ 0.0007078800000000, -0.0002453300000000, -0.0004881700000000 ] - [ -0.0007414300000000, 0.0028824600000000, -0.0024565700000000 ] - [ 0.0007047800000000, 0.0001358000000000, -0.0004883600000000 ] - [ 0.0006207400000000, 0.0003665200000000, 0.0026475700000000 ] - [ -0.0001713700000000, 0.0001265600000000, 0.0014572900000000 ] - [ 0.0003603400000000, 0.0000119800000000, 0.0015961900000000 ] - [ -0.0000326100000000, 0.0001021100000000, 0.0011450900000000 ] - [ 0.0005825000000000, 0.0000540200000000, -0.0007830800000000 ] - [ -0.0094996400000000, 0.0140510600000000, 0.0084976200000000 ] - [ 0.0003863300000000, -0.0006391300000000, -0.0008103800000000 ] - [ -0.0005189500000000, -0.0050109600000000, 0.0001716500000000 ] - [ -0.0019848700000000, 0.0105031900000000, -0.0354626000000000 ] - [ 0.0003531800000000, -0.0001052100000000, -0.0021421600000000 ] - [ -0.0004330700000000, 0.0027177400000000, -0.0045656300000000 ] - [ 0.0005682900000000, 0.0003651800000000, -0.0018871000000000 ] - [ 0.0001098800000000, 0.0003182300000000, 0.0015945800000000 ] - [ -0.0003333000000000, 0.0001705800000000, 0.0014351900000000 ] - [ 0.0001483800000000, 0.0000335800000000, 0.0017926800000000 ] - [ -0.0004104200000000, -0.0000309500000000, 0.0015857700000000 ] - [ -0.0005749500000000, -0.0005702700000000, 0.0008716100000000 ] - [ 0.0014377300000000, -0.0013992300000000, 0.0011682700000000 ] - [ -0.0014627900000000, 0.0013707800000000, 0.0011958300000000 ] - [ 0.0010684400000000, 0.0006098600000000, 0.0017622900000000 ] - [ -0.0007033700000000, -0.0001286400000000, 0.0026242500000000 ] - [ -0.0010222000000000, -0.0002721300000000, 0.0055338800000000 ] - [ -0.0007480000000000, 0.0001356000000000, 0.0025304800000000 ] - [ -0.0008004200000000, 0.0002348700000000, 0.0053987900000000 ] - [ -0.0016664400000000, -0.0006948100000000, 0.0011552900000000 ] - [ 0.0020020000000000, -0.0009179100000000, 0.0041277600000000 ] - [ -0.0003394000000000, 0.0000424000000000, 0.0005468800000000 ] - [ 0.0012139400000000, 0.0009774700000000, 0.0012163300000000 ] - [ 0.0023210600000000, -0.0006219800000000, -0.0006146600000000 ] - [ -0.0131113000000000, -0.0075276100000000, 0.0086774600000000 ] - [ 0.0008354600000000, 0.0007837000000000, -0.0006814400000000 ] - [ -0.0007874700000000, 0.0016636200000000, -0.0007091100000000 ] - [ 0.0009554200000000, -0.0000591800000000, -0.0037618200000000 ] - [ 0.0702215100000000, 0.0397342700000000, -0.2295164400000000 ] - [ 0.0006557700000000, 0.0000692700000000, -0.0027057900000000 ] - [ 0.0019686300000000, -0.0000255500000000, -0.0057508400000000 ] - [ 0.0005720500000000, 0.0001786200000000, 0.0048599500000000 ] - [ 0.0014723400000000, 0.0000700700000000, 0.0049194400000000 ] - [ 0.0005050700000000, 0.0000310900000000, 0.0026901900000000 ] - [ 0.0009954500000000, -0.0000742200000000, 0.0032221000000000 ] - [ -0.0055292200000000, 0.0007315500000000, 0.0052030700000000 ] - [ 0.0024022900000000, 0.0000503200000000, 0.0019816900000000 ] - [ -0.0010604800000000, 0.0001672700000000, 0.0005186600000000 ] - [ 0.0006177900000000, 0.0001005700000000, 0.0003778500000000 ] - [ -0.0009634100000000, 0.0023735700000000, -0.0065730400000000 ] - [ -0.0039145700000000, 0.0016344700000000, -0.0070755300000000 ] - [ -0.0002934300000000, 0.0013907000000000, -0.0071767700000000 ] - [ -0.0032423700000000, -0.0016736700000000, -0.0071191000000000 ] - [ -0.0008220300000000, -0.0001938500000000, -0.0013863700000000 ] - [ -0.1228292000000000, -0.0592548800000000, -0.1898098900000000 ] - [ -0.0004994000000000, -0.0002688900000000, -0.0011045300000000 ] - [ -0.0004132700000000, -0.0005960000000000, -0.0022373000000000 ] - [ 0.0013194000000000, -0.0015791600000000, 0.0151735600000000 ] - [ -0.0005888900000000, 0.0000099300000000, 0.0001279900000000 ] - [ 0.0009799900000000, 0.0001532500000000, 0.0005113800000000 ] - [ -0.0004866200000000, 0.0000131600000000, -0.0000334000000000 ] - [ 0.0025432300000000, 0.0016506700000000, 0.0007040700000000 ] - [ -0.0036547100000000, 0.0010425200000000, 0.0014042400000000 ] - [ 0.0018327500000000, -0.0014018800000000, 0.0001427200000000 ] - [ -0.0024110700000000, -0.0024047500000000, 0.0012493900000000 ] - [ 0.0004416600000000, -0.0001713700000000, 0.0023330800000000 ] - [ -0.0012938300000000, -0.0001598100000000, 0.0034200900000000 ] - [ 0.0000200800000000, -0.0000699800000000, 0.0014786600000000 ] - [ -0.0005429400000000, -0.0001574500000000, 0.0020018600000000 ] - [ 0.0002746000000000, -0.0035041500000000, 0.0038825700000000 ] - [ 0.0002798500000000, -0.0003264800000000, 0.0002498300000000 ] - [ 0.0000602600000000, 0.0047374000000000, 0.0052901700000000 ] - [ 0.0002950400000000, 0.0004442300000000, 0.0002585000000000 ] - [ 0.0001697600000000, 0.0000320000000000, 0.0013960000000000 ] - [ 0.0005389300000000, 0.0005256500000000, 0.0034917400000000 ] - [ 0.0001484100000000, -0.0001663700000000, 0.0013623000000000 ] - [ 0.0003422800000000, -0.0012598500000000, 0.0035563200000000 ] - [ -0.0015793000000000, -0.0023748800000000, -0.0022526500000000 ] - [ 0.0050736800000000, -0.0042725000000000, -0.0038661800000000 ] - [ -0.0004155200000000, 0.0001061300000000, -0.0013964900000000 ] - [ 0.0044029700000000, 0.0035359700000000, -0.0029861400000000 ] - [ 0.0075336400000000, -0.0020787500000000, -0.0329474500000000 ] - [ 0.0019216900000000, 0.0001544800000000, -0.0031907300000000 ] - [ -0.0007808400000000, -0.0012432500000000, -0.0010144200000000 ] - [ 0.0005784100000000, -0.0002568500000000, -0.0022766700000000 ] - [ 0.0407912700000000, 0.0144652300000000, 0.5298076300000000 ] - [ -0.0007104100000000, 0.0005853100000000, 0.0045529700000000 ] - [ -0.0012201500000000, -0.0003923700000000, 0.0066047400000000 ] - [ -0.0003628700000000, -0.0003322900000000, 0.0033114500000000 ] - [ -0.0029927200000000, -0.0020261200000000, 0.0018625600000000 ] - [ 0.0114713900000000, -0.0069471700000000, 0.0030163200000000 ] - [ -0.0026204300000000, 0.0031131600000000, 0.0030197100000000 ] - [ 0.0077959800000000, 0.0117261600000000, 0.0018662700000000 ] - [ 0.0050556300000000, 0.0011157600000000, 0.0097669200000000 ] - [ -0.0005927400000000, 0.0003376200000000, 0.0107683500000000 ] - [ 0.0006772400000000, -0.0055435800000000, 0.0097599900000000 ] - [ -0.0018471300000000, -0.0012321000000000, 0.0107714500000000 ] - [ -0.0001188100000000, -0.0006654600000000, -0.0061887800000000 ] - [ 0.0003442000000000, -0.0001359000000000, -0.0032263300000000 ] - [ -0.0002967500000000, 0.0002137000000000, -0.0058154800000000 ] - [ 0.0003223100000000, -0.0000298500000000, -0.0030538300000000 ] - [ 0.0009923600000000, 0.0011424700000000, -0.0022843700000000 ] - [ -0.0015241400000000, 0.0030101500000000, -0.0075687400000000 ] - [ 0.0012413100000000, -0.0006205600000000, -0.0020948500000000 ] - [ -0.0017214200000000, -0.0021262500000000, -0.0066687700000000 ] - [ -0.0011417100000000, 0.0000640000000000, -0.0052904400000000 ] - [ 0.0005422700000000, 0.0001199800000000, -0.0054865200000000 ] - [ -0.0003243000000000, -0.0002699800000000, -0.0033235500000000 ] - [ 0.0002013600000000, -0.0002052500000000, -0.0038578800000000 ] - [ 0.0033806500000000, -0.0014709700000000, -0.0061321600000000 ] - [ -0.0039305400000000, -0.0008748000000000, -0.0061591000000000 ] - [ 0.0004751200000000, 0.0005025100000000, -0.0025859100000000 ] - [ -0.0020122300000000, 0.0009272000000000, -0.0025886100000000 ] - [ -0.0016732300000000, -0.0003832600000000, 0.0027794400000000 ] - [ 0.0243525800000000, -0.0062870500000000, -0.0606461700000000 ] - [ -0.0006090200000000, 0.0002151700000000, 0.0021139000000000 ] - [ -0.0025523100000000, 0.0025072500000000, 0.0034489700000000 ]