# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/cc4834c8-adca-425b-a564-543a8ce881ab/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 Ba3Si5O13 / P2_1/c (14) / materials id 29223](https://mdr.nims.go.jp/datasets/a9325887-963c-4eca-a97a-1adb15bfbb6d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 20.263339630000001, 0.000000000000000, 0.004238620000000 ] # a - [ 0.000000000000000, 4.710601990000000, 0.000000000000000 ] # b - [ -2.091317470000000, 0.000000000000000, 13.705575319999999 ] # c points: - symbol: O # 1 coordinates: [ 0.497746300000000, 0.156987780000000, 0.287254430000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.502253700000000, 0.656987780000000, 0.212745570000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.502253700000000, 0.843012220000000, 0.712745570000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.497746300000000, 0.343012220000000, 0.787254430000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.478444180000000, 0.734935870000000, 0.405758410000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.521555820000000, 0.234935870000000, 0.094241590000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.521555820000000, 0.265064130000000, 0.594241590000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.478444180000000, 0.765064130000000, 0.905758410000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.597062950000000, 0.806241550000000, 0.355860520000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.402937050000000, 0.306241550000000, 0.144139480000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.402937050000000, 0.193758450000000, 0.644139480000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.597062950000000, 0.693758450000000, 0.855860520000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.687971640000000, 0.739184570000000, 0.228269360000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.312028360000000, 0.239184570000000, 0.271730640000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.312028360000000, 0.260815430000000, 0.771730640000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.687971640000000, 0.760815430000000, 0.728269360000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.698868660000000, 0.158814970000000, 0.355779340000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.301131340000000, 0.658814970000000, 0.144220660000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.301131340000000, 0.841185030000000, 0.644220660000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.698868660000000, 0.341185030000000, 0.855779340000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.790468610000000, 0.246095510000000, 0.514026190000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.715465230000000, 0.657146150000000, 0.428878950000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.284534770000000, 0.342853850000000, 0.571121050000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.715465230000000, 0.842853850000000, 0.928878950000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.665755300000000, 0.258835490000000, 0.540329080000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.334244700000000, 0.758835490000000, 0.959670920000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.334244700000000, 0.741164510000000, 0.459670920000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.665755300000000, 0.241164510000000, 0.040329080000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.865974390000000, 0.278176520000000, 0.367418910000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.134025610000000, 0.778176520000000, 0.132581090000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.134025610000000, 0.721823480000000, 0.632581090000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.865974390000000, 0.221823480000000, 0.867418910000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.981268600000000, 0.716953270000000, 0.161527880000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.018731400000000, 0.216953270000000, 0.338472120000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.018731400000000, 0.283046730000000, 0.838472120000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.981268600000000, 0.783046730000000, 0.661527880000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.851595330000000, 0.774150370000000, 0.178909790000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.148404670000000, 0.274150370000000, 0.321090210000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.148404670000000, 0.225849630000000, 0.821090210000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.851595330000000, 0.725849630000000, 0.678909790000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.915930320000000, 0.122732140000000, 0.062111530000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.084069680000000, 0.622732140000000, 0.437888470000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.084069680000000, 0.877267860000000, 0.937888470000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.915930320000000, 0.377267860000000, 0.562111530000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.886791510000000, 0.626597090000000, 0.001351860000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.113208490000000, 0.126597090000000, 0.498648140000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.113208490000000, 0.373402910000000, 0.998648140000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.886791510000000, 0.873402910000000, 0.501351860000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.790468610000000, 0.253904490000000, 0.014026190000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.209531390000000, 0.753904490000000, 0.485973810000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.209531390000000, 0.746095510000000, 0.985973810000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.284534770000000, 0.157146150000000, 0.071121050000000 ] mass: 15.999400 - symbol: Si # 53 coordinates: [ 0.516442700000000, 0.824768770000000, 0.318169290000000 ] mass: 28.085500 - symbol: Si # 54 coordinates: [ 0.483557300000000, 0.324768770000000, 0.181830710000000 ] mass: 28.085500 - symbol: Si # 55 coordinates: [ 0.483557300000000, 0.175231230000000, 0.681830710000000 ] mass: 28.085500 - symbol: Si # 56 coordinates: [ 0.516442700000000, 0.675231230000000, 0.818169290000000 ] mass: 28.085500 - symbol: Si # 57 coordinates: [ 0.674544500000000, 0.826708240000000, 0.334494370000000 ] mass: 28.085500 - symbol: Si # 58 coordinates: [ 0.325455500000000, 0.326708240000000, 0.165505630000000 ] mass: 28.085500 - symbol: Si # 59 coordinates: [ 0.325455500000000, 0.173291760000000, 0.665505630000000 ] mass: 28.085500 - symbol: Si # 60 coordinates: [ 0.674544500000000, 0.673291760000000, 0.834494370000000 ] mass: 28.085500 - symbol: Si # 61 coordinates: [ 0.714005620000000, 0.322943920000000, 0.462378390000000 ] mass: 28.085500 - symbol: Si # 62 coordinates: [ 0.285994380000000, 0.822943920000000, 0.037621610000000 ] mass: 28.085500 - symbol: Si # 63 coordinates: [ 0.285994380000000, 0.677056080000000, 0.537621610000000 ] mass: 28.085500 - symbol: Si # 64 coordinates: [ 0.714005620000000, 0.177056080000000, 0.962378390000000 ] mass: 28.085500 - symbol: Si # 65 coordinates: [ 0.863877330000000, 0.204279680000000, 0.478897000000000 ] mass: 28.085500 - symbol: Si # 66 coordinates: [ 0.136122670000000, 0.704279680000000, 0.021103000000000 ] mass: 28.085500 - symbol: Si # 67 coordinates: [ 0.136122670000000, 0.795720320000000, 0.521103000000000 ] mass: 28.085500 - symbol: Si # 68 coordinates: [ 0.863877330000000, 0.295720320000000, 0.978897000000000 ] mass: 28.085500 - symbol: Si # 69 coordinates: [ 0.907308420000000, 0.703720710000000, 0.607422340000000 ] mass: 28.085500 - symbol: Si # 70 coordinates: [ 0.092691580000000, 0.203720710000000, 0.892577660000000 ] mass: 28.085500 - symbol: Si # 71 coordinates: [ 0.092691580000000, 0.296279290000000, 0.392577660000000 ] mass: 28.085500 - symbol: Si # 72 coordinates: [ 0.907308420000000, 0.796279290000000, 0.107422340000000 ] mass: 28.085500 - symbol: Ba # 73 coordinates: [ 0.592535900000000, 0.750801400000000, 0.064691120000000 ] mass: 137.327000 - symbol: Ba # 74 coordinates: [ 0.407464100000000, 0.250801400000000, 0.435308880000000 ] mass: 137.327000 - symbol: Ba # 75 coordinates: [ 0.407464100000000, 0.249198600000000, 0.935308880000000 ] mass: 137.327000 - symbol: Ba # 76 coordinates: [ 0.592535900000000, 0.749198600000000, 0.564691120000000 ] mass: 137.327000 - symbol: Ba # 77 coordinates: [ 0.773878880000000, 0.296748220000000, 0.206363120000000 ] mass: 137.327000 - symbol: Ba # 78 coordinates: [ 0.226121120000000, 0.796748220000000, 0.293636880000000 ] mass: 137.327000 - symbol: Ba # 79 coordinates: [ 0.226121120000000, 0.703251780000000, 0.793636880000000 ] mass: 137.327000 - symbol: Ba # 80 coordinates: [ 0.773878880000000, 0.203251780000000, 0.706363120000000 ] mass: 137.327000 - symbol: Ba # 81 coordinates: [ 0.948862090000000, 0.723600630000000, 0.343074710000000 ] mass: 137.327000 - symbol: Ba # 82 coordinates: [ 0.051137910000000, 0.223600630000000, 0.156925290000000 ] mass: 137.327000 - symbol: Ba # 83 coordinates: [ 0.051137910000000, 0.276399370000000, 0.656925290000000 ] mass: 137.327000 - symbol: Ba # 84 coordinates: [ 0.948862090000000, 0.776399370000000, 0.843074710000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.049348631629444, 0.000000000000000, 0.007530049125092 ] # a* - [ 0.000000000000000, 0.212287092418946, 0.000000000000000 ] # b* - [ -0.000015261679434, 0.000000000000000, 0.072960679113117 ] # c*unit_cell: lattice: - [ 20.263339630000001, 0.000000000000000, 0.004238620000000 ] # a - [ 0.000000000000000, 4.710601990000000, 0.000000000000000 ] # b - [ -2.091317470000000, 0.000000000000000, 13.705575319999999 ] # c points: - symbol: O # 1 coordinates: [ 0.497746300000000, 0.156987780000000, 0.287254430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.502253700000000, 0.656987780000000, 0.212745570000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.502253700000000, 0.843012220000000, 0.712745570000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.497746300000000, 0.343012220000000, 0.787254430000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.478444180000000, 0.734935870000000, 0.405758410000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.521555820000000, 0.234935870000000, 0.094241590000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.521555820000000, 0.265064130000000, 0.594241590000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.478444180000000, 0.765064130000000, 0.905758410000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.597062950000000, 0.806241550000000, 0.355860520000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.402937050000000, 0.306241550000000, 0.144139480000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.402937050000000, 0.193758450000000, 0.644139480000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.597062950000000, 0.693758450000000, 0.855860520000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.687971640000000, 0.739184570000000, 0.228269360000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.312028360000000, 0.239184570000000, 0.271730640000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.312028360000000, 0.260815430000000, 0.771730640000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.687971640000000, 0.760815430000000, 0.728269360000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.698868660000000, 0.158814970000000, 0.355779340000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.301131340000000, 0.658814970000000, 0.144220660000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.301131340000000, 0.841185030000000, 0.644220660000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.698868660000000, 0.341185030000000, 0.855779340000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.790468610000000, 0.246095510000000, 0.514026190000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.715465230000000, 0.657146150000000, 0.428878950000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.284534770000000, 0.342853850000000, 0.571121050000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.715465230000000, 0.842853850000000, 0.928878950000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.665755300000000, 0.258835490000000, 0.540329080000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.334244700000000, 0.758835490000000, 0.959670920000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.334244700000000, 0.741164510000000, 0.459670920000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.665755300000000, 0.241164510000000, 0.040329080000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.865974390000000, 0.278176520000000, 0.367418910000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.134025610000000, 0.778176520000000, 0.132581090000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.134025610000000, 0.721823480000000, 0.632581090000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.865974390000000, 0.221823480000000, 0.867418910000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.981268600000000, 0.716953270000000, 0.161527880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.018731400000000, 0.216953270000000, 0.338472120000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.018731400000000, 0.283046730000000, 0.838472120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.981268600000000, 0.783046730000000, 0.661527880000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.851595330000000, 0.774150370000000, 0.178909790000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.148404670000000, 0.274150370000000, 0.321090210000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.148404670000000, 0.225849630000000, 0.821090210000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.851595330000000, 0.725849630000000, 0.678909790000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.915930320000000, 0.122732140000000, 0.062111530000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.084069680000000, 0.622732140000000, 0.437888470000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.084069680000000, 0.877267860000000, 0.937888470000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.915930320000000, 0.377267860000000, 0.562111530000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.886791510000000, 0.626597090000000, 0.001351860000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.113208490000000, 0.126597090000000, 0.498648140000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.113208490000000, 0.373402910000000, 0.998648140000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.886791510000000, 0.873402910000000, 0.501351860000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.790468610000000, 0.253904490000000, 0.014026190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.209531390000000, 0.753904490000000, 0.485973810000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.209531390000000, 0.746095510000000, 0.985973810000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.284534770000000, 0.157146150000000, 0.071121050000000 ] mass: 15.999400 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.516442700000000, 0.824768770000000, 0.318169290000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.483557300000000, 0.324768770000000, 0.181830710000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.483557300000000, 0.175231230000000, 0.681830710000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.516442700000000, 0.675231230000000, 0.818169290000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 57 coordinates: [ 0.674544500000000, 0.826708240000000, 0.334494370000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.325455500000000, 0.326708240000000, 0.165505630000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 59 coordinates: [ 0.325455500000000, 0.173291760000000, 0.665505630000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.674544500000000, 0.673291760000000, 0.834494370000000 ] mass: 28.085500 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.714005620000000, 0.322943920000000, 0.462378390000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.285994380000000, 0.822943920000000, 0.037621610000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.285994380000000, 0.677056080000000, 0.537621610000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.714005620000000, 0.177056080000000, 0.962378390000000 ] mass: 28.085500 reduced_to: 64 - symbol: Si # 65 coordinates: [ 0.863877330000000, 0.204279680000000, 0.478897000000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 66 coordinates: [ 0.136122670000000, 0.704279680000000, 0.021103000000000 ] mass: 28.085500 reduced_to: 66 - symbol: Si # 67 coordinates: [ 0.136122670000000, 0.795720320000000, 0.521103000000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 68 coordinates: [ 0.863877330000000, 0.295720320000000, 0.978897000000000 ] mass: 28.085500 reduced_to: 68 - symbol: Si # 69 coordinates: [ 0.907308420000000, 0.703720710000000, 0.607422340000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.092691580000000, 0.203720710000000, 0.892577660000000 ] mass: 28.085500 reduced_to: 70 - symbol: Si # 71 coordinates: [ 0.092691580000000, 0.296279290000000, 0.392577660000000 ] mass: 28.085500 reduced_to: 71 - symbol: Si # 72 coordinates: [ 0.907308420000000, 0.796279290000000, 0.107422340000000 ] mass: 28.085500 reduced_to: 72 - symbol: Ba # 73 coordinates: [ 0.592535900000000, 0.750801400000000, 0.064691120000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.407464100000000, 0.250801400000000, 0.435308880000000 ] mass: 137.327000 reduced_to: 74 - symbol: Ba # 75 coordinates: [ 0.407464100000000, 0.249198600000000, 0.935308880000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 76 coordinates: [ 0.592535900000000, 0.749198600000000, 0.564691120000000 ] mass: 137.327000 reduced_to: 76 - symbol: Ba # 77 coordinates: [ 0.773878880000000, 0.296748220000000, 0.206363120000000 ] mass: 137.327000 reduced_to: 77 - symbol: Ba # 78 coordinates: [ 0.226121120000000, 0.796748220000000, 0.293636880000000 ] mass: 137.327000 reduced_to: 78 - symbol: Ba # 79 coordinates: [ 0.226121120000000, 0.703251780000000, 0.793636880000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 80 coordinates: [ 0.773878880000000, 0.203251780000000, 0.706363120000000 ] mass: 137.327000 reduced_to: 80 - symbol: Ba # 81 coordinates: [ 0.948862090000000, 0.723600630000000, 0.343074710000000 ] mass: 137.327000 reduced_to: 81 - symbol: Ba # 82 coordinates: [ 0.051137910000000, 0.223600630000000, 0.156925290000000 ] mass: 137.327000 reduced_to: 82 - symbol: Ba # 83 coordinates: [ 0.051137910000000, 0.276399370000000, 0.656925290000000 ] mass: 137.327000 reduced_to: 83 - symbol: Ba # 84 coordinates: [ 0.948862090000000, 0.776399370000000, 0.843074710000000 ] mass: 137.327000 reduced_to: 84supercell: lattice: - [ 20.263339630000001, 0.000000000000000, 0.004238620000000 ] # a - [ 0.000000000000000, 4.710601990000000, 0.000000000000000 ] # b - [ -2.091317470000000, 0.000000000000000, 13.705575319999999 ] # c points: - symbol: O # 1 coordinates: [ 0.497746300000000, 0.156987780000000, 0.287254430000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.502253700000000, 0.656987780000000, 0.212745570000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.502253700000000, 0.843012220000000, 0.712745570000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.497746300000000, 0.343012220000000, 0.787254430000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.478444180000000, 0.734935870000000, 0.405758410000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.521555820000000, 0.234935870000000, 0.094241590000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.521555820000000, 0.265064130000000, 0.594241590000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.478444180000000, 0.765064130000000, 0.905758410000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.597062950000000, 0.806241550000000, 0.355860520000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.402937050000000, 0.306241550000000, 0.144139480000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.402937050000000, 0.193758450000000, 0.644139480000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.597062950000000, 0.693758450000000, 0.855860520000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.687971640000000, 0.739184570000000, 0.228269360000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.312028360000000, 0.239184570000000, 0.271730640000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.312028360000000, 0.260815430000000, 0.771730640000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.687971640000000, 0.760815430000000, 0.728269360000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.698868660000000, 0.158814970000000, 0.355779340000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.301131340000000, 0.658814970000000, 0.144220660000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.301131340000000, 0.841185030000000, 0.644220660000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.698868660000000, 0.341185030000000, 0.855779340000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.790468610000000, 0.246095510000000, 0.514026190000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.715465230000000, 0.657146150000000, 0.428878950000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.284534770000000, 0.342853850000000, 0.571121050000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.715465230000000, 0.842853850000000, 0.928878950000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.665755300000000, 0.258835490000000, 0.540329080000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.334244700000000, 0.758835490000000, 0.959670920000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.334244700000000, 0.741164510000000, 0.459670920000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.665755300000000, 0.241164510000000, 0.040329080000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.865974390000000, 0.278176520000000, 0.367418910000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.134025610000000, 0.778176520000000, 0.132581090000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.134025610000000, 0.721823480000000, 0.632581090000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.865974390000000, 0.221823480000000, 0.867418910000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.981268600000000, 0.716953270000000, 0.161527880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.018731400000000, 0.216953270000000, 0.338472120000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.018731400000000, 0.283046730000000, 0.838472120000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.981268600000000, 0.783046730000000, 0.661527880000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.851595330000000, 0.774150370000000, 0.178909790000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.148404670000000, 0.274150370000000, 0.321090210000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.148404670000000, 0.225849630000000, 0.821090210000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.851595330000000, 0.725849630000000, 0.678909790000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.915930320000000, 0.122732140000000, 0.062111530000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.084069680000000, 0.622732140000000, 0.437888470000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.084069680000000, 0.877267860000000, 0.937888470000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.915930320000000, 0.377267860000000, 0.562111530000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.886791510000000, 0.626597090000000, 0.001351860000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.113208490000000, 0.126597090000000, 0.498648140000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.113208490000000, 0.373402910000000, 0.998648140000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.886791510000000, 0.873402910000000, 0.501351860000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.790468610000000, 0.253904490000000, 0.014026190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.209531390000000, 0.753904490000000, 0.485973810000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.209531390000000, 0.746095510000000, 0.985973810000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.284534770000000, 0.157146150000000, 0.071121050000000 ] mass: 15.999400 reduced_to: 52 - symbol: Si # 53 coordinates: [ 0.516442700000000, 0.824768770000000, 0.318169290000000 ] mass: 28.085500 reduced_to: 53 - symbol: Si # 54 coordinates: [ 0.483557300000000, 0.324768770000000, 0.181830710000000 ] mass: 28.085500 reduced_to: 54 - symbol: Si # 55 coordinates: [ 0.483557300000000, 0.175231230000000, 0.681830710000000 ] mass: 28.085500 reduced_to: 55 - symbol: Si # 56 coordinates: [ 0.516442700000000, 0.675231230000000, 0.818169290000000 ] mass: 28.085500 reduced_to: 56 - symbol: Si # 57 coordinates: [ 0.674544500000000, 0.826708240000000, 0.334494370000000 ] mass: 28.085500 reduced_to: 57 - symbol: Si # 58 coordinates: [ 0.325455500000000, 0.326708240000000, 0.165505630000000 ] mass: 28.085500 reduced_to: 58 - symbol: Si # 59 coordinates: [ 0.325455500000000, 0.173291760000000, 0.665505630000000 ] mass: 28.085500 reduced_to: 59 - symbol: Si # 60 coordinates: [ 0.674544500000000, 0.673291760000000, 0.834494370000000 ] mass: 28.085500 reduced_to: 60 - symbol: Si # 61 coordinates: [ 0.714005620000000, 0.322943920000000, 0.462378390000000 ] mass: 28.085500 reduced_to: 61 - symbol: Si # 62 coordinates: [ 0.285994380000000, 0.822943920000000, 0.037621610000000 ] mass: 28.085500 reduced_to: 62 - symbol: Si # 63 coordinates: [ 0.285994380000000, 0.677056080000000, 0.537621610000000 ] mass: 28.085500 reduced_to: 63 - symbol: Si # 64 coordinates: [ 0.714005620000000, 0.177056080000000, 0.962378390000000 ] mass: 28.085500 reduced_to: 64 - symbol: Si # 65 coordinates: [ 0.863877330000000, 0.204279680000000, 0.478897000000000 ] mass: 28.085500 reduced_to: 65 - symbol: Si # 66 coordinates: [ 0.136122670000000, 0.704279680000000, 0.021103000000000 ] mass: 28.085500 reduced_to: 66 - symbol: Si # 67 coordinates: [ 0.136122670000000, 0.795720320000000, 0.521103000000000 ] mass: 28.085500 reduced_to: 67 - symbol: Si # 68 coordinates: [ 0.863877330000000, 0.295720320000000, 0.978897000000000 ] mass: 28.085500 reduced_to: 68 - symbol: Si # 69 coordinates: [ 0.907308420000000, 0.703720710000000, 0.607422340000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.092691580000000, 0.203720710000000, 0.892577660000000 ] mass: 28.085500 reduced_to: 70 - symbol: Si # 71 coordinates: [ 0.092691580000000, 0.296279290000000, 0.392577660000000 ] mass: 28.085500 reduced_to: 71 - symbol: Si # 72 coordinates: [ 0.907308420000000, 0.796279290000000, 0.107422340000000 ] mass: 28.085500 reduced_to: 72 - symbol: Ba # 73 coordinates: [ 0.592535900000000, 0.750801400000000, 0.064691120000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.407464100000000, 0.250801400000000, 0.435308880000000 ] mass: 137.327000 reduced_to: 74 - symbol: Ba # 75 coordinates: [ 0.407464100000000, 0.249198600000000, 0.935308880000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 76 coordinates: [ 0.592535900000000, 0.749198600000000, 0.564691120000000 ] mass: 137.327000 reduced_to: 76 - symbol: Ba # 77 coordinates: [ 0.773878880000000, 0.296748220000000, 0.206363120000000 ] mass: 137.327000 reduced_to: 77 - symbol: Ba # 78 coordinates: [ 0.226121120000000, 0.796748220000000, 0.293636880000000 ] mass: 137.327000 reduced_to: 78 - symbol: Ba # 79 coordinates: [ 0.226121120000000, 0.703251780000000, 0.793636880000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 80 coordinates: [ 0.773878880000000, 0.203251780000000, 0.706363120000000 ] mass: 137.327000 reduced_to: 80 - symbol: Ba # 81 coordinates: [ 0.948862090000000, 0.723600630000000, 0.343074710000000 ] mass: 137.327000 reduced_to: 81 - symbol: Ba # 82 coordinates: [ 0.051137910000000, 0.223600630000000, 0.156925290000000 ] mass: 137.327000 reduced_to: 82 - symbol: Ba # 83 coordinates: [ 0.051137910000000, 0.276399370000000, 0.656925290000000 ] mass: 137.327000 reduced_to: 83 - symbol: Ba # 84 coordinates: [ 0.948862090000000, 0.776399370000000, 0.843074710000000 ] mass: 137.327000 reduced_to: 84displacements:- atom: 1 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0633827800000000, 0.0537785300000000, -0.0240972100000000 ] - [ -0.0143925300000000, -0.0022325700000000, -0.0021960900000000 ] - [ -0.0009507500000000, 0.0005380900000000, -0.0008245900000000 ] - [ -0.0005784800000000, -0.0005133600000000, -0.0006913500000000 ] - [ -0.0091664600000000, 0.0061373000000000, -0.0061288700000000 ] - [ -0.0056660500000000, 0.0029843800000000, -0.0109039700000000 ] - [ -0.0017899800000000, -0.0000495500000000, -0.0011882900000000 ] - [ -0.0014816700000000, -0.0000088900000000, -0.0007286700000000 ] - [ 0.0113813200000000, -0.0156413800000000, 0.0091751200000000 ] - [ 0.0072942000000000, -0.0084725600000000, 0.0180953700000000 ] - [ -0.0013086000000000, 0.0003373200000000, -0.0015310600000000 ] - [ -0.0012058300000000, 0.0001092900000000, -0.0007371200000000 ] - [ 0.0021617800000000, -0.0001395700000000, -0.0017413300000000 ] - [ 0.0025929800000000, -0.0000418300000000, 0.0003396100000000 ] - [ -0.0001940100000000, -0.0001962900000000, -0.0004059200000000 ] - [ -0.0002085500000000, -0.0001094100000000, -0.0001418800000000 ] - [ 0.0019711600000000, 0.0008342200000000, 0.0012817900000000 ] - [ 0.0014981800000000, -0.0010143600000000, 0.0010268800000000 ] - [ 0.0002727500000000, -0.0003196400000000, -0.0008425000000000 ] - [ -0.0000615700000000, 0.0000322100000000, -0.0002348600000000 ] - [ 0.0016201200000000, -0.0004728700000000, 0.0007935900000000 ] - [ 0.0026510600000000, -0.0014544500000000, 0.0020328800000000 ] - [ 0.0003276300000000, 0.0004937900000000, -0.0008957500000000 ] - [ 0.0001727100000000, 0.0001010500000000, -0.0004283500000000 ] - [ -0.0004124100000000, -0.0000704500000000, 0.0018079800000000 ] - [ -0.0005406000000000, 0.0000254700000000, 0.0015455700000000 ] - [ 0.0013757200000000, -0.0000958600000000, -0.0008110800000000 ] - [ 0.0006346400000000, -0.0000641000000000, -0.0010326300000000 ] - [ 0.0013096300000000, 0.0000371400000000, 0.0000873900000000 ] - [ 0.0009152900000000, -0.0000544000000000, 0.0005686200000000 ] - [ 0.0005942400000000, 0.0000756800000000, 0.0000904700000000 ] - [ 0.0007812100000000, -0.0000270300000000, -0.0000610900000000 ] - [ 0.0013544400000000, 0.0000700100000000, 0.0000027700000000 ] - [ 0.0012080700000000, 0.0002879600000000, 0.0001960200000000 ] - [ 0.0008471200000000, -0.0002682500000000, 0.0003754900000000 ] - [ 0.0011331500000000, -0.0000705600000000, 0.0002508900000000 ] - [ 0.0010644600000000, 0.0001740000000000, -0.0000234800000000 ] - [ 0.0017888100000000, 0.0000914800000000, -0.0003822100000000 ] - [ 0.0010304500000000, -0.0001375200000000, 0.0000325300000000 ] - [ 0.0004304500000000, -0.0001199600000000, 0.0005526600000000 ] - [ 0.0008035800000000, 0.0001774200000000, 0.0001828200000000 ] - [ 0.0008573200000000, 0.0002721200000000, 0.0001639500000000 ] - [ 0.0007727100000000, -0.0004050800000000, 0.0004975000000000 ] - [ 0.0009327900000000, 0.0000057500000000, 0.0005769800000000 ] - [ 0.0006006500000000, 0.0002475100000000, -0.0001810100000000 ] - [ 0.0005585900000000, -0.0000543500000000, 0.0001470100000000 ] - [ 0.0005565900000000, 0.0001801300000000, 0.0005423100000000 ] - [ 0.0008226700000000, -0.0004393400000000, 0.0002226000000000 ] - [ 0.0008219800000000, 0.0001885400000000, -0.0005260400000000 ] - [ 0.0017332400000000, 0.0000506800000000, -0.0002306600000000 ] - [ 0.0015897400000000, 0.0001000100000000, 0.0008924800000000 ] - [ 0.0013313400000000, 0.0009456200000000, 0.0017275600000000 ] - [ 0.0421938300000000, -0.0313368700000000, 0.0043820300000000 ] - [ 0.0352933500000000, -0.0052361800000000, 0.0087092500000000 ] - [ 0.0022376100000000, -0.0004087800000000, 0.0014966800000000 ] - [ 0.0015208000000000, 0.0002508500000000, 0.0015533900000000 ] - [ -0.0102722400000000, -0.0008419400000000, 0.0011737500000000 ] - [ -0.0074532100000000, 0.0007035700000000, -0.0008062100000000 ] - [ 0.0002093400000000, -0.0000539800000000, 0.0012051400000000 ] - [ 0.0008032700000000, -0.0000476500000000, 0.0003095200000000 ] - [ -0.0015113100000000, 0.0010234400000000, -0.0042067300000000 ] - [ -0.0010331400000000, -0.0006589500000000, -0.0029014000000000 ] - [ -0.0020858600000000, 0.0000294200000000, 0.0017254400000000 ] - [ -0.0008401000000000, 0.0000569600000000, 0.0006461300000000 ] - [ -0.0023031700000000, 0.0001487400000000, -0.0005296900000000 ] - [ -0.0016764100000000, -0.0001206100000000, -0.0005097400000000 ] - [ -0.0015206200000000, 0.0000708100000000, 0.0002223500000000 ] - [ -0.0013273200000000, -0.0000755600000000, -0.0000144000000000 ] - [ -0.0011349400000000, -0.0001146100000000, -0.0008391500000000 ] - [ -0.0014434100000000, 0.0000768000000000, -0.0006435700000000 ] - [ -0.0020096200000000, -0.0000443900000000, 0.0000741800000000 ] - [ -0.0014742700000000, 0.0000551600000000, 0.0000605900000000 ] - [ -0.0001464800000000, 0.0003349000000000, 0.0024637600000000 ] - [ 0.0019409300000000, 0.0003988200000000, 0.0033768200000000 ] - [ 0.0034122800000000, -0.0001361800000000, -0.0001594200000000 ] - [ 0.0036302200000000, 0.0001902300000000, -0.0022068100000000 ] - [ -0.0022276900000000, -0.0000355200000000, 0.0009662700000000 ] - [ -0.0024021200000000, -0.0002098500000000, 0.0000390700000000 ] - [ -0.0006134600000000, 0.0000627400000000, -0.0005155600000000 ] - [ -0.0005283900000000, 0.0001255500000000, -0.0006699200000000 ] - [ -0.0014378100000000, -0.0000508400000000, -0.0000421900000000 ] - [ -0.0018059800000000, 0.0000274500000000, -0.0001958600000000 ] - [ -0.0014963300000000, -0.0000129200000000, -0.0002019200000000 ] - [ -0.0009502800000000, 0.0000273100000000, -0.0002046400000000 ]- atom: 1 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0642023600000000, -0.0537321700000000, 0.0233646500000000 ] - [ 0.0140458600000000, 0.0022801800000000, 0.0019764800000000 ] - [ 0.0006365900000000, -0.0005130300000000, 0.0005822200000000 ] - [ 0.0008944800000000, 0.0005458500000000, 0.0009504300000000 ] - [ 0.0088126800000000, -0.0060083400000000, 0.0065953700000000 ] - [ 0.0060145200000000, -0.0028832100000000, 0.0104276300000000 ] - [ 0.0021671600000000, -0.0000639200000000, 0.0007135300000000 ] - [ 0.0011085200000000, -0.0001045800000000, 0.0012203700000000 ] - [ -0.0112432400000000, 0.0150802500000000, -0.0091270300000000 ] - [ -0.0073466500000000, 0.0082303000000000, -0.0182386100000000 ] - [ 0.0013218100000000, -0.0000096300000000, 0.0016398100000000 ] - [ 0.0011929200000000, 0.0002209900000000, 0.0006484500000000 ] - [ -0.0020748700000000, 0.0003948400000000, 0.0014194500000000 ] - [ -0.0026903000000000, 0.0003055900000000, -0.0000482700000000 ] - [ 0.0001114400000000, -0.0000598500000000, 0.0007194400000000 ] - [ 0.0002908500000000, -0.0001482600000000, -0.0001595300000000 ] - [ -0.0021169900000000, -0.0006038100000000, -0.0010124100000000 ] - [ -0.0013414200000000, 0.0012481900000000, -0.0013018000000000 ] - [ -0.0001200900000000, 0.0000887200000000, 0.0005792400000000 ] - [ -0.0000948900000000, -0.0002647900000000, 0.0005059200000000 ] - [ -0.0020761100000000, 0.0001836200000000, -0.0010744800000000 ] - [ -0.0024967800000000, 0.0008609800000000, -0.0019925900000000 ] - [ -0.0004744600000000, 0.0000987200000000, 0.0008657100000000 ] - [ -0.0000317400000000, 0.0004924900000000, 0.0004675100000000 ] - [ 0.0002626400000000, 0.0001469300000000, -0.0020821800000000 ] - [ 0.0006978800000000, 0.0000519400000000, -0.0012674600000000 ] - [ -0.0012285700000000, 0.0000206400000000, 0.0010938000000000 ] - [ -0.0007988200000000, -0.0000127900000000, 0.0007530000000000 ] - [ -0.0010308900000000, -0.0000721900000000, -0.0003897900000000 ] - [ -0.0011943200000000, 0.0000193000000000, -0.0002707300000000 ] - [ -0.0008730500000000, -0.0000403600000000, 0.0002117400000000 ] - [ -0.0005050700000000, 0.0000624800000000, -0.0002383900000000 ] - [ -0.0011343100000000, 0.0002784600000000, -0.0001682100000000 ] - [ -0.0014311600000000, 0.0000603600000000, -0.0000330000000000 ] - [ -0.0010692700000000, -0.0000798400000000, -0.0002113800000000 ] - [ -0.0009122300000000, -0.0002779200000000, -0.0004145500000000 ] - [ -0.0016945100000000, 0.0000886200000000, 0.0004468700000000 ] - [ -0.0011624800000000, 0.0001710600000000, -0.0000436600000000 ] - [ -0.0004009300000000, -0.0001248500000000, -0.0004572900000000 ] - [ -0.0010609500000000, -0.0001424000000000, -0.0001265400000000 ] - [ -0.0007581300000000, 0.0002525600000000, -0.0001436800000000 ] - [ -0.0009067500000000, 0.0001577600000000, -0.0002047200000000 ] - [ -0.0008198700000000, -0.0000240300000000, -0.0005386800000000 ] - [ -0.0008855600000000, -0.0004346400000000, -0.0005367000000000 ] - [ -0.0004587000000000, -0.0000266800000000, -0.0001520100000000 ] - [ -0.0007034700000000, 0.0002757100000000, 0.0001847700000000 ] - [ -0.0007000400000000, -0.0004016100000000, -0.0002111100000000 ] - [ -0.0006783100000000, 0.0002170400000000, -0.0005551900000000 ] - [ -0.0012891700000000, 0.0000994400000000, 0.0002410800000000 ] - [ -0.0012775400000000, 0.0002387700000000, 0.0005153600000000 ] - [ -0.0011278000000000, -0.0003885400000000, -0.0006103800000000 ] - [ -0.0014730000000000, -0.0015399900000000, -0.0017699900000000 ] - [ -0.0426254700000000, 0.0319405800000000, -0.0041886000000000 ] - [ -0.0352728400000000, 0.0049083000000000, -0.0079364500000000 ] - [ -0.0022816700000000, 0.0002534700000000, -0.0016761800000000 ] - [ -0.0014833700000000, -0.0004101000000000, -0.0014049700000000 ] - [ 0.0103689100000000, 0.0009065900000000, -0.0012297000000000 ] - [ 0.0073085900000000, -0.0006485800000000, 0.0008976300000000 ] - [ -0.0003326600000000, -0.0000061100000000, -0.0011522800000000 ] - [ -0.0006717500000000, -0.0000124900000000, -0.0003825700000000 ] - [ 0.0019494800000000, -0.0009605300000000, 0.0035816500000000 ] - [ 0.0005812900000000, 0.0007209300000000, 0.0035222600000000 ] - [ 0.0016470200000000, -0.0000940500000000, -0.0011194400000000 ] - [ 0.0012983300000000, -0.0001194200000000, -0.0012651900000000 ] - [ 0.0021338100000000, -0.0001300000000000, 0.0004042000000000 ] - [ 0.0018414400000000, 0.0001392900000000, 0.0006370600000000 ] - [ 0.0016903800000000, -0.0000892500000000, -0.0000985000000000 ] - [ 0.0011665800000000, 0.0000574800000000, -0.0001116600000000 ] - [ 0.0015480400000000, 0.0000912000000000, 0.0007635100000000 ] - [ 0.0010312100000000, -0.0001000700000000, 0.0007180100000000 ] - [ 0.0016007000000000, 0.0000680300000000, -0.0000006400000000 ] - [ 0.0018885100000000, -0.0000318800000000, -0.0001335200000000 ] - [ 0.0002365100000000, -0.0003617200000000, -0.0032229500000000 ] - [ -0.0021206000000000, -0.0004140600000000, -0.0025146400000000 ] - [ -0.0034885400000000, 0.0001680500000000, 0.0009031700000000 ] - [ -0.0035649700000000, -0.0001576100000000, 0.0014413000000000 ] - [ 0.0022929000000000, -0.0001422600000000, -0.0006414200000000 ] - [ 0.0023434000000000, 0.0000330400000000, -0.0003533400000000 ] - [ 0.0005461700000000, 0.0001152000000000, 0.0001957600000000 ] - [ 0.0005957000000000, 0.0000524800000000, 0.0009809300000000 ] - [ 0.0018951700000000, 0.0000326700000000, 0.0001090800000000 ] - [ 0.0013512900000000, -0.0000455500000000, 0.0001312200000000 ] - [ 0.0010406100000000, 0.0000312100000000, 0.0001343700000000 ] - [ 0.0014085300000000, -0.0000092200000000, 0.0002694100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0524520500000000, -0.3326695300000000, 0.1692318800000000 ] - [ 0.0021916500000000, 0.0739902600000000, 0.0019980400000000 ] - [ 0.0003654000000000, 0.0002818800000000, -0.0013559400000000 ] - [ 0.0006841600000000, -0.0002213400000000, -0.0010286100000000 ] - [ 0.0030328600000000, 0.0237615000000000, -0.0118666100000000 ] - [ 0.0019045800000000, -0.0001722600000000, -0.0044510000000000 ] - [ 0.0009904400000000, 0.0002281600000000, -0.0014868400000000 ] - [ 0.0005567900000000, -0.0001993200000000, -0.0008580900000000 ] - [ -0.0150378800000000, 0.0100871600000000, -0.0038652500000000 ] - [ -0.0097426400000000, 0.0005905600000000, -0.0109595500000000 ] - [ 0.0009599000000000, 0.0001312700000000, -0.0002497200000000 ] - [ 0.0007367100000000, 0.0001613900000000, -0.0006325500000000 ] - [ -0.0008676000000000, 0.0004072000000000, 0.0019971100000000 ] - [ -0.0012127600000000, -0.0003134000000000, 0.0020191300000000 ] - [ -0.0000414600000000, -0.0001917000000000, -0.0007289700000000 ] - [ -0.0000678300000000, -0.0000612300000000, -0.0011839200000000 ] - [ -0.0010365900000000, -0.0005571300000000, 0.0004868500000000 ] - [ -0.0011098600000000, 0.0007660900000000, 0.0000302200000000 ] - [ 0.0003182100000000, -0.0001827400000000, -0.0005407500000000 ] - [ 0.0001197500000000, -0.0000191300000000, -0.0003186100000000 ] - [ -0.0012972700000000, 0.0001133500000000, -0.0004557500000000 ] - [ -0.0021348400000000, 0.0004883000000000, -0.0006835400000000 ] - [ 0.0001202100000000, 0.0004094200000000, -0.0003294100000000 ] - [ 0.0002751400000000, 0.0002038300000000, -0.0003975300000000 ] - [ -0.0005197000000000, 0.0001004900000000, -0.0006154100000000 ] - [ -0.0002997500000000, 0.0000346600000000, -0.0006010500000000 ] - [ 0.0012233900000000, 0.0000541000000000, 0.0000488800000000 ] - [ 0.0007913600000000, -0.0000678200000000, -0.0002418700000000 ] - [ -0.0002981500000000, -0.0000421600000000, -0.0000172100000000 ] - [ -0.0005953600000000, 0.0000097500000000, 0.0002433700000000 ] - [ -0.0003043200000000, 0.0000141200000000, -0.0000531800000000 ] - [ -0.0000461600000000, 0.0000206700000000, -0.0003775800000000 ] - [ -0.0002746800000000, 0.0002016700000000, -0.0000381100000000 ] - [ -0.0005011900000000, 0.0001482900000000, 0.0001391600000000 ] - [ -0.0005022500000000, -0.0001305400000000, -0.0001167000000000 ] - [ -0.0002857700000000, -0.0002176300000000, -0.0002741000000000 ] - [ -0.0006852000000000, 0.0001188800000000, 0.0003717900000000 ] - [ -0.0000997800000000, 0.0001462600000000, -0.0000270200000000 ] - [ -0.0000033600000000, -0.0001234100000000, -0.0004348000000000 ] - [ -0.0006725500000000, -0.0001361600000000, 0.0000093400000000 ] - [ -0.0001515900000000, 0.0002095500000000, -0.0000228200000000 ] - [ -0.0001906500000000, 0.0002328500000000, -0.0000321200000000 ] - [ -0.0004273900000000, -0.0001111500000000, -0.0002535300000000 ] - [ -0.0003768900000000, -0.0003086900000000, -0.0001860700000000 ] - [ -0.0000246200000000, 0.0000891100000000, -0.0001778100000000 ] - [ -0.0001618500000000, 0.0001168200000000, 0.0001869200000000 ] - [ -0.0004241400000000, -0.0002538900000000, 0.0000106700000000 ] - [ -0.0002878900000000, 0.0000231200000000, -0.0002926100000000 ] - [ -0.0000664800000000, 0.0001661300000000, -0.0000974400000000 ] - [ 0.0004888100000000, 0.0001134300000000, 0.0002364300000000 ] - [ -0.0008394300000000, -0.0003582300000000, -0.0002399500000000 ] - [ -0.0017335400000000, -0.0011740500000000, -0.0005475800000000 ] - [ -0.0313064100000000, 0.1668772400000000, -0.0586918300000000 ] - [ -0.0093283000000000, 0.0550114800000000, -0.0795801000000000 ] - [ -0.0014388700000000, -0.0000710200000000, 0.0018144300000000 ] - [ -0.0010072900000000, -0.0000866400000000, 0.0019356100000000 ] - [ 0.0078359600000000, 0.0016057500000000, -0.0032856500000000 ] - [ 0.0072249000000000, -0.0002401600000000, -0.0022327900000000 ] - [ -0.0008280700000000, 0.0000935900000000, 0.0009442600000000 ] - [ -0.0006534400000000, -0.0001393900000000, 0.0010424200000000 ] - [ 0.0012569500000000, -0.0010194800000000, 0.0004259000000000 ] - [ 0.0009390800000000, 0.0006885500000000, 0.0014365700000000 ] - [ -0.0008689500000000, -0.0001219600000000, 0.0008145100000000 ] - [ -0.0003301500000000, 0.0000059100000000, 0.0002432900000000 ] - [ 0.0010343400000000, -0.0000397400000000, -0.0000619300000000 ] - [ 0.0012024100000000, 0.0000664300000000, 0.0001284300000000 ] - [ 0.0001473400000000, -0.0000110600000000, 0.0001614200000000 ] - [ 0.0000190700000000, -0.0000001900000000, 0.0000820500000000 ] - [ 0.0007894700000000, 0.0000336000000000, 0.0003173400000000 ] - [ 0.0003470800000000, -0.0000613300000000, 0.0004322800000000 ] - [ 0.0002765800000000, 0.0000035600000000, -0.0001129000000000 ] - [ 0.0006729100000000, 0.0000146100000000, -0.0001263700000000 ] - [ -0.0023221100000000, 0.0000305400000000, -0.0005241200000000 ] - [ -0.0026221000000000, 0.0013394000000000, -0.0015286800000000 ] - [ -0.0002664300000000, 0.0001121800000000, 0.0028314400000000 ] - [ 0.0007872400000000, -0.0000155600000000, 0.0025584300000000 ] - [ 0.0003940200000000, -0.0001267100000000, -0.0006267300000000 ] - [ 0.0004618900000000, -0.0000446500000000, -0.0010623900000000 ] - [ 0.0002879600000000, 0.0000937600000000, 0.0005975600000000 ] - [ 0.0004346600000000, 0.0000931400000000, 0.0008888000000000 ] - [ 0.0007721400000000, 0.0000088000000000, -0.0000915000000000 ] - [ 0.0003271300000000, -0.0000263200000000, -0.0001371400000000 ] - [ 0.0001999100000000, 0.0000109700000000, 0.0001797300000000 ] - [ 0.0006711000000000, 0.0000059700000000, 0.0002574700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0550510400000000, 0.3447106400000000, -0.1700862400000000 ] - [ -0.0023211900000000, -0.0739804500000000, -0.0028716100000000 ] - [ -0.0006866500000000, -0.0002559200000000, 0.0011194400000000 ] - [ -0.0003747900000000, 0.0002529500000000, 0.0012919000000000 ] - [ -0.0035206000000000, -0.0238895200000000, 0.0126997700000000 ] - [ -0.0015642600000000, 0.0001692300000000, 0.0040869800000000 ] - [ -0.0006273900000000, -0.0003447200000000, 0.0010230400000000 ] - [ -0.0009371900000000, 0.0000853300000000, 0.0013480400000000 ] - [ 0.0152428000000000, -0.0104637800000000, 0.0038501600000000 ] - [ 0.0098253300000000, -0.0010733900000000, 0.0110822000000000 ] - [ -0.0009612300000000, 0.0001994000000000, 0.0003471900000000 ] - [ -0.0007553800000000, 0.0001678800000000, 0.0005416500000000 ] - [ 0.0009663900000000, -0.0001521100000000, -0.0023248500000000 ] - [ 0.0011390600000000, 0.0005693300000000, -0.0017281300000000 ] - [ -0.0000422100000000, -0.0000634900000000, 0.0010458600000000 ] - [ 0.0001538900000000, -0.0001955500000000, 0.0008878700000000 ] - [ 0.0008955000000000, 0.0007977700000000, -0.0002203500000000 ] - [ 0.0012783200000000, -0.0005428600000000, -0.0003029600000000 ] - [ -0.0001670400000000, -0.0000488000000000, 0.0002766000000000 ] - [ -0.0002754000000000, -0.0002144900000000, 0.0005910800000000 ] - [ 0.0008488900000000, -0.0004034600000000, 0.0001717400000000 ] - [ 0.0022979200000000, -0.0010879000000000, 0.0007272000000000 ] - [ -0.0002660500000000, 0.0001820700000000, 0.0002955300000000 ] - [ -0.0001320300000000, 0.0003905700000000, 0.0004378500000000 ] - [ 0.0003778200000000, -0.0000231700000000, 0.0003374700000000 ] - [ 0.0004520000000000, 0.0000424900000000, 0.0008886600000000 ] - [ -0.0010877400000000, -0.0001338800000000, 0.0002359300000000 ] - [ -0.0009510200000000, -0.0000092100000000, -0.0000396100000000 ] - [ 0.0005806200000000, 0.0000073600000000, -0.0002856500000000 ] - [ 0.0003220500000000, -0.0000449900000000, 0.0000568700000000 ] - [ 0.0000285800000000, 0.0000216800000000, 0.0003565800000000 ] - [ 0.0003255200000000, 0.0000149500000000, 0.0000784700000000 ] - [ 0.0005000700000000, 0.0001469900000000, -0.0001272300000000 ] - [ 0.0002838000000000, 0.0002011500000000, 0.0000247200000000 ] - [ 0.0002851700000000, -0.0002182400000000, 0.0002831000000000 ] - [ 0.0005109100000000, -0.0001306400000000, 0.0001108400000000 ] - [ 0.0000570300000000, 0.0001439200000000, 0.0000539500000000 ] - [ 0.0007365000000000, 0.0001161800000000, -0.0004029400000000 ] - [ 0.0006394800000000, -0.0001386600000000, 0.0000091300000000 ] - [ 0.0000433800000000, -0.0001258800000000, 0.0004198700000000 ] - [ 0.0002019400000000, 0.0002197900000000, 0.0000647600000000 ] - [ 0.0001432700000000, 0.0001966700000000, -0.0000097200000000 ] - [ 0.0003830700000000, -0.0003184600000000, 0.0002139300000000 ] - [ 0.0004291200000000, -0.0001190800000000, 0.0002291200000000 ] - [ 0.0001695400000000, 0.0001318000000000, -0.0001540600000000 ] - [ 0.0000185600000000, 0.0001038600000000, 0.0001439100000000 ] - [ 0.0002834300000000, 0.0000349200000000, 0.0003222100000000 ] - [ 0.0004357800000000, -0.0002454200000000, -0.0000387400000000 ] - [ -0.0003951900000000, 0.0001220600000000, -0.0001907000000000 ] - [ -0.0000316400000000, 0.0001755900000000, 0.0000498700000000 ] - [ 0.0013091600000000, 0.0000719600000000, 0.0005298200000000 ] - [ 0.0015974700000000, 0.0005880900000000, 0.0005134800000000 ] - [ 0.0341569200000000, -0.1790173100000000, 0.0629302500000000 ] - [ 0.0091101500000000, -0.0541066500000000, 0.0765031200000000 ] - [ 0.0014208300000000, -0.0000863300000000, -0.0020017300000000 ] - [ 0.0010550400000000, -0.0000694200000000, -0.0017927800000000 ] - [ -0.0077760100000000, -0.0015538700000000, 0.0032406600000000 ] - [ -0.0074117900000000, 0.0003023000000000, 0.0023236000000000 ] - [ 0.0007125300000000, -0.0001559200000000, -0.0008904700000000 ] - [ 0.0007850100000000, 0.0000807700000000, -0.0011173700000000 ] - [ -0.0008231500000000, 0.0010876600000000, -0.0010469500000000 ] - [ -0.0013966600000000, -0.0006306600000000, -0.0008330200000000 ] - [ 0.0004279300000000, 0.0000623800000000, -0.0002078000000000 ] - [ 0.0007833200000000, -0.0000683500000000, -0.0008622200000000 ] - [ -0.0012132500000000, 0.0000592400000000, -0.0000631100000000 ] - [ -0.0010454900000000, -0.0000481100000000, -0.0000049200000000 ] - [ 0.0000193300000000, -0.0000071100000000, -0.0000379900000000 ] - [ -0.0001878400000000, -0.0000181300000000, -0.0002084600000000 ] - [ -0.0003785200000000, -0.0000569700000000, -0.0003956000000000 ] - [ -0.0007695400000000, 0.0000389000000000, -0.0003609300000000 ] - [ -0.0006976500000000, 0.0000202000000000, 0.0001888800000000 ] - [ -0.0002613500000000, 0.0000090300000000, 0.0000513100000000 ] - [ 0.0023884100000000, -0.0000680500000000, -0.0002099100000000 ] - [ 0.0026121300000000, -0.0013668500000000, 0.0022909200000000 ] - [ 0.0002056000000000, -0.0000821400000000, -0.0020968500000000 ] - [ -0.0007436300000000, 0.0000474900000000, -0.0033540300000000 ] - [ -0.0003340100000000, -0.0000509300000000, 0.0009508700000000 ] - [ -0.0005308900000000, -0.0001343300000000, 0.0007541700000000 ] - [ -0.0003572600000000, 0.0000852400000000, -0.0009206600000000 ] - [ -0.0003740200000000, 0.0000857700000000, -0.0005807800000000 ] - [ -0.0003194300000000, -0.0000263000000000, 0.0001572600000000 ] - [ -0.0007911000000000, 0.0000092000000000, 0.0000727800000000 ] - [ -0.0006627900000000, 0.0000068300000000, -0.0002471900000000 ] - [ -0.0002171300000000, 0.0000118700000000, -0.0001950300000000 ]- atom: 1 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ -0.0130983600000000, 0.1564274700000000, -0.2556539000000000 ] - [ -0.0000738700000000, -0.0019182900000000, -0.0085677300000000 ] - [ -0.0007301400000000, -0.0012884500000000, 0.0037217500000000 ] - [ -0.0005419900000000, 0.0012397100000000, 0.0041926600000000 ] - [ -0.0041360500000000, -0.0230757100000000, 0.0098627400000000 ] - [ -0.0045555700000000, -0.0075755000000000, 0.0206531700000000 ] - [ -0.0002216300000000, -0.0004801800000000, 0.0043592000000000 ] - [ -0.0010881500000000, 0.0002263800000000, 0.0042363900000000 ] - [ 0.0137467100000000, -0.0078012000000000, -0.0052939900000000 ] - [ 0.0206991300000000, -0.0069496100000000, 0.0087890300000000 ] - [ -0.0012131600000000, -0.0000393800000000, 0.0030600400000000 ] - [ -0.0010834000000000, 0.0002415400000000, 0.0021241900000000 ] - [ 0.0003693200000000, -0.0001472500000000, -0.0041976800000000 ] - [ 0.0006853500000000, 0.0007888000000000, -0.0057747200000000 ] - [ 0.0000326200000000, 0.0001066500000000, 0.0032581700000000 ] - [ 0.0002659100000000, -0.0003158400000000, 0.0023047400000000 ] - [ 0.0014985500000000, 0.0002526200000000, -0.0011511100000000 ] - [ 0.0030666800000000, -0.0008474600000000, -0.0014195000000000 ] - [ -0.0007861200000000, 0.0002355600000000, 0.0016793000000000 ] - [ -0.0006821100000000, -0.0004438800000000, 0.0016305700000000 ] - [ 0.0013526300000000, -0.0003758400000000, 0.0000087600000000 ] - [ 0.0019569700000000, -0.0004838400000000, -0.0003107400000000 ] - [ -0.0011857800000000, -0.0000282600000000, 0.0018575200000000 ] - [ -0.0006127500000000, 0.0006737400000000, 0.0014366500000000 ] - [ 0.0019720600000000, 0.0000644100000000, 0.0004475100000000 ] - [ 0.0017569500000000, -0.0000119200000000, 0.0012441500000000 ] - [ -0.0039248600000000, -0.0000249500000000, 0.0009656800000000 ] - [ -0.0033392800000000, -0.0000077500000000, 0.0007337200000000 ] - [ 0.0004096000000000, 0.0000263500000000, -0.0006857000000000 ] - [ 0.0002900800000000, -0.0000746300000000, -0.0004842700000000 ] - [ -0.0003349100000000, -0.0000221400000000, 0.0008031700000000 ] - [ 0.0000814000000000, 0.0000488300000000, 0.0004054900000000 ] - [ 0.0001486100000000, 0.0001865500000000, -0.0003034600000000 ] - [ -0.0001425700000000, 0.0001503200000000, -0.0001944100000000 ] - [ 0.0001603100000000, -0.0002178700000000, 0.0004083800000000 ] - [ 0.0003192900000000, -0.0001412000000000, 0.0001854900000000 ] - [ -0.0004080000000000, 0.0001413200000000, -0.0000734100000000 ] - [ 0.0002302000000000, 0.0001120400000000, -0.0006404000000000 ] - [ 0.0005881100000000, -0.0001504000000000, 0.0002270400000000 ] - [ -0.0000212400000000, -0.0001223600000000, 0.0005239700000000 ] - [ -0.0001596500000000, 0.0002764800000000, -0.0000336200000000 ] - [ -0.0003316100000000, 0.0001065900000000, -0.0001647200000000 ] - [ 0.0004473500000000, -0.0003539400000000, 0.0002075400000000 ] - [ 0.0003823900000000, -0.0001225000000000, 0.0001586900000000 ] - [ -0.0001237200000000, 0.0000366500000000, -0.0001588000000000 ] - [ -0.0003891800000000, 0.0002413600000000, 0.0001086400000000 ] - [ 0.0003949700000000, 0.0000611100000000, 0.0002912200000000 ] - [ 0.0004202000000000, -0.0002284900000000, -0.0001145700000000 ] - [ -0.0017053700000000, 0.0000259000000000, -0.0000310800000000 ] - [ -0.0018305900000000, 0.0003375400000000, 0.0001308300000000 ] - [ 0.0021989900000000, 0.0001974500000000, 0.0006748200000000 ] - [ 0.0027598800000000, 0.0007546600000000, -0.0000913900000000 ] - [ -0.0026733400000000, -0.0357780800000000, 0.0602374500000000 ] - [ -0.0027426700000000, -0.0709848200000000, 0.1693267500000000 ] - [ 0.0011824800000000, 0.0005222500000000, -0.0067558100000000 ] - [ 0.0015731100000000, -0.0005404300000000, -0.0063568900000000 ] - [ -0.0071143500000000, -0.0007690400000000, 0.0050042800000000 ] - [ -0.0138053900000000, -0.0005478000000000, 0.0078295600000000 ] - [ 0.0019781600000000, -0.0002039300000000, -0.0039474000000000 ] - [ 0.0014438600000000, 0.0002125500000000, -0.0031004400000000 ] - [ -0.0025664500000000, 0.0005016000000000, 0.0001019100000000 ] - [ -0.0031109200000000, -0.0007006000000000, -0.0006960700000000 ] - [ 0.0034181200000000, -0.0001242400000000, -0.0023327000000000 ] - [ 0.0028225000000000, -0.0001757500000000, -0.0025646500000000 ] - [ -0.0013521500000000, 0.0000501400000000, 0.0002565500000000 ] - [ -0.0016594700000000, -0.0000500300000000, 0.0003543200000000 ] - [ 0.0013841200000000, -0.0000735200000000, -0.0003603500000000 ] - [ 0.0007647500000000, 0.0000281200000000, -0.0004639400000000 ] - [ -0.0002141700000000, -0.0000678700000000, -0.0003958700000000 ] - [ -0.0007060800000000, 0.0000619700000000, -0.0005282500000000 ] - [ -0.0000197800000000, 0.0000836000000000, 0.0004754600000000 ] - [ 0.0003094400000000, -0.0000371700000000, 0.0002052000000000 ] - [ 0.0071010900000000, -0.0003074400000000, -0.0015755000000000 ] - [ 0.0072565300000000, -0.0006245300000000, 0.0010480200000000 ] - [ -0.0027298600000000, -0.0001694600000000, -0.0061758500000000 ] - [ -0.0034751600000000, -0.0000369000000000, -0.0057918500000000 ] - [ 0.0005585300000000, -0.0000919300000000, 0.0019154900000000 ] - [ 0.0004133400000000, -0.0000707300000000, 0.0024405300000000 ] - [ -0.0004055500000000, 0.0000878900000000, -0.0021233300000000 ] - [ -0.0005065100000000, 0.0000831300000000, -0.0013317700000000 ] - [ 0.0001202100000000, -0.0000240100000000, 0.0004421800000000 ] - [ -0.0004646800000000, 0.0000127900000000, 0.0004321000000000 ] - [ -0.0003170300000000, 0.0000227400000000, -0.0005150600000000 ] - [ 0.0000231100000000, 0.0000002900000000, -0.0004001000000000 ]- atom: 1 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0144873500000000, -0.1627939400000000, 0.2653611600000000 ] - [ -0.0002431200000000, 0.0022174200000000, 0.0084718600000000 ] - [ 0.0004214100000000, 0.0013175600000000, -0.0039842200000000 ] - [ 0.0008615600000000, -0.0012139200000000, -0.0039519500000000 ] - [ 0.0036813700000000, 0.0229384700000000, -0.0093154700000000 ] - [ 0.0050705600000000, 0.0078481300000000, -0.0215604200000000 ] - [ 0.0006074900000000, 0.0003680700000000, -0.0048460900000000 ] - [ 0.0007185600000000, -0.0003407200000000, -0.0037701600000000 ] - [ -0.0138280500000000, 0.0075328400000000, 0.0051048400000000 ] - [ -0.0209042000000000, 0.0067160300000000, -0.0087856800000000 ] - [ 0.0012282200000000, 0.0003671600000000, -0.0029648100000000 ] - [ 0.0010874800000000, 0.0000878700000000, -0.0022248800000000 ] - [ -0.0002957800000000, 0.0004058900000000, 0.0039146900000000 ] - [ -0.0007704400000000, -0.0005381500000000, 0.0060965000000000 ] - [ -0.0001216100000000, -0.0003621100000000, -0.0029540500000000 ] - [ -0.0001781200000000, 0.0000610700000000, -0.0026255600000000 ] - [ -0.0016688100000000, -0.0000258500000000, 0.0014189700000000 ] - [ -0.0029251700000000, 0.0010881300000000, 0.0011566300000000 ] - [ 0.0009380500000000, -0.0004700600000000, -0.0019497300000000 ] - [ 0.0005339500000000, 0.0002106400000000, -0.0013675300000000 ] - [ -0.0018231000000000, 0.0000900500000000, -0.0003023700000000 ] - [ -0.0018354300000000, -0.0000985800000000, 0.0003389700000000 ] - [ 0.0010371000000000, 0.0006232200000000, -0.0018948100000000 ] - [ 0.0007629100000000, -0.0000816600000000, -0.0014032600000000 ] - [ -0.0021205700000000, 0.0000137600000000, -0.0007410300000000 ] - [ -0.0016165200000000, 0.0000888600000000, -0.0009627500000000 ] - [ 0.0040764100000000, -0.0000494200000000, -0.0006887100000000 ] - [ 0.0032072000000000, -0.0000690100000000, -0.0010136900000000 ] - [ -0.0001365100000000, -0.0000621100000000, 0.0003868300000000 ] - [ -0.0005724500000000, 0.0000395900000000, 0.0007852000000000 ] - [ 0.0000525800000000, 0.0000573300000000, -0.0005042900000000 ] - [ 0.0001961200000000, -0.0000136200000000, -0.0007074800000000 ] - [ 0.0000684600000000, 0.0001624000000000, 0.0001391400000000 ] - [ -0.0000827400000000, 0.0001982700000000, 0.0003596100000000 ] - [ -0.0003847200000000, -0.0001306900000000, -0.0002440100000000 ] - [ -0.0001035500000000, -0.0002086400000000, -0.0003533400000000 ] - [ -0.0002290800000000, 0.0001206800000000, 0.0005045100000000 ] - [ 0.0003990900000000, 0.0001501700000000, 0.0002119000000000 ] - [ 0.0000400900000000, -0.0001120600000000, -0.0006554400000000 ] - [ -0.0006148200000000, -0.0001402600000000, -0.0000989600000000 ] - [ 0.0002069500000000, 0.0001516900000000, 0.0000755600000000 ] - [ 0.0002793900000000, 0.0003219200000000, 0.0001219600000000 ] - [ -0.0004989800000000, -0.0000744200000000, -0.0002494300000000 ] - [ -0.0003394700000000, -0.0003078300000000, -0.0001211800000000 ] - [ 0.0002680200000000, 0.0001841400000000, -0.0001713800000000 ] - [ 0.0002419300000000, -0.0000202900000000, 0.0002209500000000 ] - [ -0.0005424900000000, -0.0002824800000000, 0.0000398400000000 ] - [ -0.0002798700000000, 0.0000092700000000, -0.0002195200000000 ] - [ 0.0012541600000000, 0.0002629900000000, -0.0002545700000000 ] - [ 0.0022833800000000, -0.0000484500000000, 0.0001557300000000 ] - [ -0.0017501100000000, -0.0004872000000000, -0.0003877300000000 ] - [ -0.0029162300000000, -0.0013509500000000, 0.0000532100000000 ] - [ 0.0028046400000000, 0.0358772000000000, -0.0604955200000000 ] - [ 0.0018825400000000, 0.0771123400000000, -0.1782689400000000 ] - [ -0.0012308400000000, -0.0006789100000000, 0.0066069800000000 ] - [ -0.0015525100000000, 0.0003815100000000, 0.0065408700000000 ] - [ 0.0073414000000000, 0.0008367400000000, -0.0051012000000000 ] - [ 0.0137139500000000, 0.0006140200000000, -0.0077938100000000 ] - [ -0.0021024200000000, 0.0001449800000000, 0.0040116300000000 ] - [ -0.0013349000000000, -0.0002745900000000, 0.0030506100000000 ] - [ 0.0030259900000000, -0.0004495000000000, -0.0006932700000000 ] - [ 0.0026753400000000, 0.0007648600000000, 0.0013082700000000 ] - [ -0.0038608000000000, 0.0000576700000000, 0.0029502600000000 ] - [ -0.0023875300000000, 0.0001133200000000, 0.0019568100000000 ] - [ 0.0011970100000000, -0.0000324200000000, -0.0003790400000000 ] - [ 0.0018363900000000, 0.0000688100000000, -0.0002310800000000 ] - [ -0.0012092400000000, 0.0000546600000000, 0.0004864600000000 ] - [ -0.0009361700000000, -0.0000467800000000, 0.0003406600000000 ] - [ 0.0006362200000000, 0.0000446800000000, 0.0003261200000000 ] - [ 0.0002958600000000, -0.0000862200000000, 0.0006057100000000 ] - [ -0.0003902600000000, -0.0000594800000000, -0.0003975000000000 ] - [ 0.0001106000000000, 0.0000612200000000, -0.0002850000000000 ] - [ -0.0070765400000000, 0.0002780700000000, 0.0007921900000000 ] - [ -0.0074919100000000, 0.0006147500000000, -0.0001362900000000 ] - [ 0.0026934100000000, 0.0002025800000000, 0.0069605600000000 ] - [ 0.0035170700000000, 0.0000711100000000, 0.0050594000000000 ] - [ -0.0004880200000000, -0.0000874400000000, -0.0016139300000000 ] - [ -0.0004754000000000, -0.0001084200000000, -0.0027565300000000 ] - [ 0.0003473500000000, 0.0000906900000000, 0.0018111000000000 ] - [ 0.0005723500000000, 0.0000955100000000, 0.0016576700000000 ] - [ 0.0003442100000000, 0.0000064300000000, -0.0003778800000000 ] - [ 0.0000111400000000, -0.0000306500000000, -0.0004982400000000 ] - [ -0.0001352100000000, -0.0000051400000000, 0.0004515900000000 ] - [ 0.0004384200000000, 0.0000172000000000, 0.0004677300000000 ]- atom: 5 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0088834100000000, 0.0032209500000000, -0.0051350900000000 ] - [ -0.0060437400000000, -0.0017435700000000, -0.0058497300000000 ] - [ -0.0021361100000000, 0.0008236200000000, -0.0008446700000000 ] - [ -0.0011369600000000, -0.0007324100000000, -0.0009849400000000 ] - [ -0.1865634700000000, -0.0617445700000000, 0.1623096200000000 ] - [ -0.0014459600000000, -0.0001688300000000, -0.0016671500000000 ] - [ -0.0053593300000000, -0.0003570400000000, -0.0012012400000000 ] - [ -0.0015591800000000, -0.0000439300000000, -0.0006077400000000 ] - [ 0.0354689700000000, 0.0054315500000000, -0.0129551400000000 ] - [ -0.0058836000000000, -0.0003084200000000, 0.0001396500000000 ] - [ -0.0030273400000000, 0.0002013700000000, -0.0029546800000000 ] - [ -0.0023009400000000, 0.0000614100000000, -0.0005049200000000 ] - [ 0.0037259800000000, -0.0006272100000000, -0.0039003100000000 ] - [ 0.0011024600000000, -0.0000264400000000, 0.0045674900000000 ] - [ -0.0001352500000000, -0.0003814100000000, -0.0018500200000000 ] - [ 0.0004762300000000, -0.0002097500000000, 0.0020527200000000 ] - [ 0.0034128200000000, 0.0021636000000000, 0.0010259600000000 ] - [ -0.0003934000000000, -0.0002769200000000, 0.0019697000000000 ] - [ 0.0009665500000000, -0.0008440700000000, -0.0029267900000000 ] - [ -0.0002630500000000, -0.0001796200000000, 0.0003419100000000 ] - [ 0.0028968400000000, -0.0006159000000000, 0.0008858200000000 ] - [ 0.0029955400000000, -0.0017562200000000, 0.0018964800000000 ] - [ 0.0010738600000000, 0.0013639200000000, -0.0027571100000000 ] - [ -0.0000055600000000, 0.0002588100000000, 0.0001778300000000 ] - [ 0.0007173400000000, -0.0000616300000000, 0.0018739900000000 ] - [ -0.0008009200000000, 0.0001048600000000, 0.0005240600000000 ] - [ 0.0097602000000000, 0.0004109200000000, -0.0038239900000000 ] - [ 0.0000134500000000, -0.0000287200000000, -0.0008684800000000 ] - [ 0.0018620500000000, 0.0000805100000000, -0.0000065400000000 ] - [ 0.0010359800000000, -0.0000255800000000, 0.0012002500000000 ] - [ 0.0013359900000000, 0.0001468500000000, -0.0004272200000000 ] - [ 0.0010851700000000, -0.0000296800000000, 0.0002145800000000 ] - [ 0.0017888700000000, 0.0000318500000000, 0.0001251400000000 ] - [ 0.0019183600000000, 0.0003733700000000, 0.0004787500000000 ] - [ 0.0012229700000000, -0.0002918900000000, 0.0003051300000000 ] - [ 0.0017975600000000, -0.0000083000000000, 0.0003241000000000 ] - [ 0.0015318400000000, 0.0001786400000000, -0.0000480000000000 ] - [ 0.0024126200000000, 0.0000954000000000, 0.0000023400000000 ] - [ 0.0013959100000000, -0.0001154100000000, -0.0002410200000000 ] - [ 0.0010484900000000, -0.0001261100000000, 0.0006074600000000 ] - [ 0.0010758400000000, 0.0001383500000000, 0.0003365100000000 ] - [ 0.0016775600000000, 0.0004518700000000, 0.0004989300000000 ] - [ 0.0008652100000000, -0.0003783900000000, 0.0005502100000000 ] - [ 0.0014637800000000, 0.0000816800000000, 0.0007529500000000 ] - [ 0.0007760800000000, 0.0003227000000000, -0.0000764100000000 ] - [ 0.0012353900000000, -0.0003367000000000, 0.0002710100000000 ] - [ 0.0005192800000000, 0.0001872100000000, 0.0005716500000000 ] - [ 0.0012452500000000, -0.0005825900000000, 0.0002793300000000 ] - [ 0.0009247800000000, 0.0001986200000000, -0.0004882400000000 ] - [ 0.0051900200000000, -0.0001872000000000, -0.0004296700000000 ] - [ 0.0010032100000000, -0.0001051700000000, 0.0004900500000000 ] - [ -0.0006186800000000, -0.0000381700000000, 0.0014970500000000 ] - [ 0.1494972200000000, 0.0490699300000000, -0.1343351300000000 ] - [ 0.0068305600000000, 0.0022926100000000, 0.0032866300000000 ] - [ 0.0056391500000000, -0.0004001700000000, 0.0025958300000000 ] - [ 0.0026148200000000, 0.0004129500000000, 0.0017153300000000 ] - [ -0.0139819400000000, -0.0001670700000000, 0.0013499200000000 ] - [ 0.0038917700000000, 0.0001404600000000, -0.0056847200000000 ] - [ 0.0005592800000000, 0.0002928200000000, 0.0040093000000000 ] - [ 0.0020578800000000, 0.0002745000000000, -0.0012970600000000 ] - [ -0.0030505400000000, 0.0011799200000000, -0.0039554700000000 ] - [ -0.0000636000000000, 0.0000314100000000, -0.0017343300000000 ] - [ -0.0067096800000000, -0.0005970500000000, 0.0056314200000000 ] - [ -0.0005633600000000, -0.0000857800000000, 0.0000026900000000 ] - [ -0.0035487700000000, 0.0002217200000000, -0.0004772700000000 ] - [ -0.0012082900000000, -0.0001479000000000, -0.0008586900000000 ] - [ -0.0037853700000000, 0.0002357800000000, 0.0005929400000000 ] - [ -0.0016711800000000, -0.0001067200000000, -0.0002608400000000 ] - [ -0.0020247900000000, -0.0001634800000000, -0.0010176700000000 ] - [ -0.0018599200000000, 0.0000734300000000, -0.0004412200000000 ] - [ -0.0030486900000000, -0.0001741700000000, -0.0004847100000000 ] - [ -0.0020572100000000, 0.0000745600000000, -0.0000414900000000 ] - [ 0.0012711500000000, -0.0000219800000000, 0.0024531300000000 ] - [ 0.0098864000000000, 0.0030973100000000, 0.0007743300000000 ] - [ 0.0022924800000000, 0.0000136000000000, 0.0016002700000000 ] - [ 0.0059315600000000, 0.0004257000000000, -0.0064002300000000 ] - [ -0.0026746200000000, 0.0000144800000000, 0.0014472000000000 ] - [ -0.0037880800000000, -0.0000821600000000, -0.0026915300000000 ] - [ -0.0011347700000000, 0.0000602300000000, 0.0007672000000000 ] - [ -0.0013640600000000, 0.0000830700000000, -0.0012976900000000 ] - [ -0.0022971600000000, -0.0000674500000000, -0.0001213100000000 ] - [ -0.0022603300000000, 0.0000289200000000, -0.0005830200000000 ] - [ -0.0023745800000000, -0.0000429200000000, 0.0000326300000000 ] - [ -0.0014709200000000, 0.0000372100000000, -0.0002980000000000 ]- atom: 5 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0090956700000000, -0.0033262900000000, 0.0055095700000000 ] - [ 0.0056389400000000, 0.0017235700000000, 0.0056605700000000 ] - [ 0.0018211200000000, -0.0007935700000000, 0.0005967900000000 ] - [ 0.0014529100000000, 0.0007617100000000, 0.0012346700000000 ] - [ 0.1833594900000000, 0.0598216400000000, -0.1561175500000000 ] - [ 0.0018077900000000, 0.0002912200000000, 0.0012267200000000 ] - [ 0.0057370000000000, 0.0002414600000000, 0.0006986100000000 ] - [ 0.0011817800000000, -0.0000699300000000, 0.0010930800000000 ] - [ -0.0348260200000000, -0.0056339800000000, 0.0125858900000000 ] - [ 0.0059330300000000, -0.0000220200000000, -0.0000324400000000 ] - [ 0.0030446300000000, 0.0001293700000000, 0.0030549000000000 ] - [ 0.0022821100000000, 0.0002685400000000, 0.0004130700000000 ] - [ -0.0036151700000000, 0.0008755300000000, 0.0035559200000000 ] - [ -0.0011806000000000, 0.0002841900000000, -0.0042736200000000 ] - [ 0.0000538700000000, 0.0001251200000000, 0.0021637100000000 ] - [ -0.0003922300000000, -0.0000481900000000, -0.0023498600000000 ] - [ -0.0035414400000000, -0.0019109700000000, -0.0007496600000000 ] - [ 0.0005556900000000, 0.0005067900000000, -0.0022417500000000 ] - [ -0.0008135200000000, 0.0006147500000000, 0.0026683500000000 ] - [ 0.0001055500000000, -0.0000523500000000, -0.0000716100000000 ] - [ -0.0033495000000000, 0.0003250000000000, -0.0011625400000000 ] - [ -0.0028345700000000, 0.0011529600000000, -0.0018454700000000 ] - [ -0.0012178300000000, -0.0007751100000000, 0.0027280800000000 ] - [ 0.0001456500000000, 0.0003340200000000, -0.0001404100000000 ] - [ -0.0008739900000000, 0.0001382600000000, -0.0021435100000000 ] - [ 0.0009565600000000, -0.0000277300000000, -0.0002395800000000 ] - [ -0.0096730200000000, -0.0004924000000000, 0.0041277000000000 ] - [ -0.0001740700000000, -0.0000484400000000, 0.0005861700000000 ] - [ -0.0015801800000000, -0.0001158000000000, -0.0002947500000000 ] - [ -0.0013115000000000, -0.0000100800000000, -0.0009008800000000 ] - [ -0.0016133300000000, -0.0001113600000000, 0.0007314800000000 ] - [ -0.0008076000000000, 0.0000651000000000, -0.0005142500000000 ] - [ -0.0015633000000000, 0.0003156400000000, -0.0002895800000000 ] - [ -0.0021395700000000, -0.0000254600000000, -0.0003158200000000 ] - [ -0.0014439000000000, -0.0000560600000000, -0.0001400000000000 ] - [ -0.0015724100000000, -0.0003394600000000, -0.0004856900000000 ] - [ -0.0021574500000000, 0.0000839900000000, 0.0004707200000000 ] - [ -0.0017818000000000, 0.0001669600000000, -0.0004288500000000 ] - [ -0.0007641900000000, -0.0001471300000000, -0.0001820700000000 ] - [ -0.0016771800000000, -0.0001363200000000, -0.0001799200000000 ] - [ -0.0010278000000000, 0.0002920300000000, -0.0002963100000000 ] - [ -0.0017261200000000, -0.0000221300000000, -0.0005397600000000 ] - [ -0.0009103700000000, -0.0000515900000000, -0.0005898600000000 ] - [ -0.0014137400000000, -0.0005100800000000, -0.0007099400000000 ] - [ -0.0006326900000000, -0.0001015500000000, -0.0002564200000000 ] - [ -0.0013793500000000, 0.0005581400000000, 0.0000610100000000 ] - [ -0.0006606500000000, -0.0004079000000000, -0.0002389300000000 ] - [ -0.0010989300000000, 0.0003590800000000, -0.0006100900000000 ] - [ -0.0013893200000000, 0.0000892400000000, 0.0002018200000000 ] - [ -0.0047380600000000, 0.0004764300000000, 0.0007149000000000 ] - [ -0.0005355000000000, -0.0001824700000000, -0.0002045900000000 ] - [ 0.0004825500000000, -0.0005522400000000, -0.0015325400000000 ] - [ -0.1469036000000000, -0.0468653900000000, 0.1287187300000000 ] - [ -0.0069097700000000, -0.0021494300000000, -0.0035584800000000 ] - [ -0.0056925700000000, 0.0002369800000000, -0.0027603400000000 ] - [ -0.0025720000000000, -0.0005688600000000, -0.0015549300000000 ] - [ 0.0140483100000000, 0.0002312000000000, -0.0014127600000000 ] - [ -0.0040540500000000, -0.0000779000000000, 0.0057675600000000 ] - [ -0.0006887000000000, -0.0003556300000000, -0.0039551900000000 ] - [ -0.0019219100000000, -0.0003342900000000, 0.0012249700000000 ] - [ 0.0034930600000000, -0.0011101400000000, 0.0033169300000000 ] - [ -0.0003934800000000, 0.0000282700000000, 0.0023444300000000 ] - [ 0.0062654800000000, 0.0005362200000000, -0.0050257300000000 ] - [ 0.0010180900000000, 0.0000239000000000, -0.0006163500000000 ] - [ 0.0033729100000000, -0.0002026600000000, 0.0003503600000000 ] - [ 0.0013665400000000, 0.0001661500000000, 0.0009848600000000 ] - [ 0.0039526700000000, -0.0002544500000000, -0.0004691900000000 ] - [ 0.0015064100000000, 0.0000883400000000, 0.0001359800000000 ] - [ 0.0024339700000000, 0.0001398800000000, 0.0009400200000000 ] - [ 0.0014435500000000, -0.0000963300000000, 0.0005133600000000 ] - [ 0.0026345400000000, 0.0001976700000000, 0.0005594900000000 ] - [ 0.0024659300000000, -0.0000514700000000, -0.0000299600000000 ] - [ -0.0011813300000000, -0.0000074400000000, -0.0032146700000000 ] - [ -0.0101647100000000, -0.0032025300000000, 0.0000854400000000 ] - [ -0.0023555000000000, 0.0000173900000000, -0.0008559200000000 ] - [ -0.0057470100000000, -0.0003881200000000, 0.0057542600000000 ] - [ 0.0027350600000000, -0.0001914800000000, -0.0011195000000000 ] - [ 0.0037246300000000, -0.0000961500000000, 0.0023843300000000 ] - [ 0.0010644300000000, 0.0001175300000000, -0.0010895100000000 ] - [ 0.0014310000000000, 0.0000947000000000, 0.0016074400000000 ] - [ 0.0027499400000000, 0.0000489500000000, 0.0001879700000000 ] - [ 0.0018002800000000, -0.0000470300000000, 0.0005192400000000 ] - [ 0.0019148300000000, 0.0000611700000000, -0.0001003500000000 ] - [ 0.0019255400000000, -0.0000191500000000, 0.0003619900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0063052600000000, 0.0238844100000000, -0.0223976200000000 ] - [ -0.0031130300000000, -0.0001508300000000, 0.0072809100000000 ] - [ -0.0001447800000000, 0.0002954900000000, -0.0005481200000000 ] - [ 0.0001126100000000, -0.0001241500000000, -0.0001600400000000 ] - [ -0.0607562200000000, -0.0762431700000000, 0.0763570200000000 ] - [ 0.0004225900000000, 0.0008183700000000, -0.0023706600000000 ] - [ -0.0000966900000000, 0.0019988800000000, -0.0007822600000000 ] - [ -0.0001961400000000, -0.0000721500000000, -0.0000552800000000 ] - [ 0.0040562500000000, -0.0064324100000000, -0.0014655900000000 ] - [ -0.0017139800000000, 0.0007084400000000, -0.0007300700000000 ] - [ 0.0000044200000000, 0.0001751800000000, -0.0003743500000000 ] - [ -0.0001102400000000, 0.0001664600000000, -0.0002123900000000 ] - [ 0.0006486100000000, 0.0001824400000000, -0.0005433800000000 ] - [ -0.0001137000000000, 0.0004714900000000, 0.0007712200000000 ] - [ -0.0000139300000000, -0.0001548300000000, -0.0001672500000000 ] - [ -0.0000661500000000, -0.0000313400000000, -0.0003106700000000 ] - [ -0.0001627700000000, 0.0001048300000000, 0.0003096700000000 ] - [ -0.0001152000000000, 0.0001569700000000, 0.0000367600000000 ] - [ 0.0001957700000000, -0.0001615300000000, -0.0003156600000000 ] - [ -0.0000737400000000, -0.0000617500000000, 0.0000019300000000 ] - [ -0.0001435700000000, -0.0001941200000000, -0.0000226500000000 ] - [ 0.0004675700000000, -0.0005530600000000, 0.0005175600000000 ] - [ 0.0001313000000000, 0.0003991600000000, -0.0003519800000000 ] - [ 0.0000732200000000, 0.0002374000000000, -0.0001052800000000 ] - [ -0.0003437900000000, 0.0000958300000000, 0.0000598600000000 ] - [ -0.0000246600000000, 0.0000420100000000, 0.0000782900000000 ] - [ 0.0006084800000000, 0.0020929300000000, 0.0000687900000000 ] - [ 0.0000732000000000, -0.0000490000000000, -0.0003116600000000 ] - [ 0.0002460100000000, -0.0000162100000000, -0.0000873300000000 ] - [ -0.0000934600000000, -0.0000155100000000, 0.0002330900000000 ] - [ -0.0000338400000000, 0.0000280600000000, 0.0000989800000000 ] - [ 0.0001789900000000, 0.0000116500000000, -0.0001838400000000 ] - [ 0.0002208500000000, 0.0001651900000000, -0.0000694700000000 ] - [ 0.0000217000000000, 0.0001880900000000, 0.0001241900000000 ] - [ -0.0000458600000000, -0.0001786500000000, 0.0000762900000000 ] - [ 0.0001966600000000, -0.0001660800000000, -0.0000606400000000 ] - [ -0.0001522300000000, 0.0001363700000000, 0.0001841200000000 ] - [ 0.0004421200000000, 0.0001325500000000, -0.0001698100000000 ] - [ 0.0003794700000000, -0.0001279700000000, -0.0002456400000000 ] - [ -0.0002835100000000, -0.0001283300000000, 0.0002471500000000 ] - [ 0.0000938400000000, 0.0002182300000000, 0.0000161100000000 ] - [ 0.0000931700000000, 0.0002376400000000, 0.0000271400000000 ] - [ 0.0000041000000000, -0.0002141300000000, -0.0000084800000000 ] - [ 0.0000944000000000, -0.0001929400000000, 0.0000817300000000 ] - [ 0.0001201300000000, 0.0001166500000000, -0.0001895700000000 ] - [ 0.0000286300000000, 0.0000730100000000, 0.0001888100000000 ] - [ -0.0000604400000000, -0.0001043200000000, 0.0001723700000000 ] - [ 0.0001327900000000, -0.0001406700000000, -0.0001138500000000 ] - [ -0.0001192200000000, 0.0001460100000000, -0.0002189800000000 ] - [ 0.0005857200000000, 0.0000592200000000, 0.0001430800000000 ] - [ 0.0001819300000000, -0.0001628500000000, 0.0001173800000000 ] - [ -0.0002677700000000, -0.0003675600000000, 0.0000368900000000 ] - [ 0.0481823000000000, 0.0541822300000000, -0.0576535800000000 ] - [ 0.0023338900000000, -0.0072455200000000, 0.0043552200000000 ] - [ 0.0001369800000000, -0.0000233000000000, 0.0003188000000000 ] - [ 0.0000909000000000, -0.0000646000000000, 0.0006495400000000 ] - [ -0.0014650900000000, -0.0011020800000000, -0.0004476500000000 ] - [ 0.0008871200000000, -0.0002294900000000, -0.0007421700000000 ] - [ -0.0002708200000000, -0.0000477300000000, 0.0005213400000000 ] - [ 0.0001392700000000, -0.0000415300000000, 0.0001605300000000 ] - [ 0.0003292100000000, 0.0002561000000000, -0.0008341600000000 ] - [ -0.0000858900000000, 0.0000960200000000, 0.0003113200000000 ] - [ -0.0007802300000000, 0.0002833300000000, 0.0006226200000000 ] - [ 0.0000871700000000, 0.0000008100000000, -0.0000622300000000 ] - [ -0.0002478200000000, 0.0000187300000000, -0.0001493600000000 ] - [ 0.0000953200000000, 0.0000032100000000, 0.0000131600000000 ] - [ -0.0002225500000000, -0.0000024400000000, 0.0000895200000000 ] - [ -0.0001962600000000, -0.0000115200000000, -0.0000112400000000 ] - [ 0.0001101500000000, -0.0000175100000000, -0.0001283900000000 ] - [ -0.0002862500000000, -0.0000098400000000, 0.0000556000000000 ] - [ -0.0003949000000000, -0.0000007300000000, -0.0000353900000000 ] - [ 0.0000412400000000, 0.0000135100000000, 0.0000027300000000 ] - [ 0.0000930100000000, 0.0001054500000000, -0.0001561200000000 ] - [ 0.0037270900000000, 0.0034132300000000, -0.0015195800000000 ] - [ 0.0002038300000000, 0.0000205400000000, 0.0008486400000000 ] - [ 0.0006361100000000, 0.0030516200000000, -0.0006977500000000 ] - [ -0.0002522100000000, -0.0000667300000000, 0.0002098100000000 ] - [ -0.0002428800000000, -0.0000689600000000, -0.0004638200000000 ] - [ -0.0001129800000000, 0.0000909600000000, 0.0000129400000000 ] - [ 0.0000775700000000, 0.0001008400000000, 0.0001316900000000 ] - [ 0.0000602400000000, -0.0000118200000000, -0.0000056800000000 ] - [ -0.0003403400000000, -0.0000073700000000, -0.0000818900000000 ] - [ -0.0003600200000000, 0.0000050400000000, -0.0000125800000000 ] - [ 0.0001519700000000, 0.0000101800000000, 0.0000412700000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058503200000000, -0.0237667300000000, 0.0222955400000000 ] - [ 0.0027580000000000, 0.0001911000000000, -0.0074232400000000 ] - [ -0.0001589200000000, -0.0002778300000000, 0.0003079400000000 ] - [ 0.0002078900000000, 0.0001603500000000, 0.0004284800000000 ] - [ 0.0608170700000000, 0.0772526600000000, -0.0757397400000000 ] - [ -0.0000370200000000, -0.0006837500000000, 0.0018909000000000 ] - [ 0.0005026900000000, -0.0021153800000000, 0.0003457100000000 ] - [ -0.0001712300000000, -0.0000398100000000, 0.0005457000000000 ] - [ -0.0042726300000000, 0.0060376300000000, 0.0014256800000000 ] - [ 0.0017526700000000, -0.0010253600000000, 0.0008191100000000 ] - [ 0.0000143700000000, 0.0001529900000000, 0.0004983500000000 ] - [ 0.0001165900000000, 0.0001649700000000, 0.0001248700000000 ] - [ -0.0005883600000000, 0.0000802800000000, 0.0002576300000000 ] - [ 0.0000234500000000, -0.0002128400000000, -0.0005056300000000 ] - [ -0.0000723800000000, -0.0001005000000000, 0.0004892300000000 ] - [ 0.0001488000000000, -0.0002258500000000, -0.0000058100000000 ] - [ -0.0000113900000000, 0.0001116700000000, -0.0000518500000000 ] - [ 0.0002755100000000, 0.0000790800000000, -0.0003109300000000 ] - [ -0.0000492900000000, -0.0000685800000000, 0.0000628700000000 ] - [ -0.0000782100000000, -0.0001710400000000, 0.0002663000000000 ] - [ -0.0003305000000000, -0.0000920000000000, -0.0002670200000000 ] - [ -0.0003391400000000, -0.0000278100000000, -0.0004955400000000 ] - [ -0.0002884200000000, 0.0001927400000000, 0.0003345300000000 ] - [ 0.0000719900000000, 0.0003563300000000, 0.0001433300000000 ] - [ 0.0001998500000000, -0.0000177200000000, -0.0003514000000000 ] - [ 0.0001789600000000, 0.0000346900000000, 0.0002049900000000 ] - [ -0.0004942800000000, -0.0021661600000000, 0.0002143800000000 ] - [ -0.0002256400000000, -0.0000276200000000, 0.0000370700000000 ] - [ 0.0000228200000000, -0.0000194400000000, -0.0002155100000000 ] - [ -0.0001901100000000, -0.0000195400000000, 0.0000623000000000 ] - [ -0.0002530600000000, 0.0000071900000000, 0.0002050200000000 ] - [ 0.0000939600000000, 0.0000243900000000, -0.0001175100000000 ] - [ -0.0000079900000000, 0.0001839100000000, -0.0000954600000000 ] - [ -0.0002550000000000, 0.0001592800000000, 0.0000368200000000 ] - [ -0.0001832900000000, -0.0001685100000000, 0.0000872600000000 ] - [ 0.0000161800000000, -0.0001829500000000, -0.0001052800000000 ] - [ -0.0004892000000000, 0.0001260600000000, 0.0002435400000000 ] - [ 0.0001774800000000, 0.0001301600000000, -0.0002588700000000 ] - [ 0.0002448600000000, -0.0001341800000000, -0.0001788100000000 ] - [ -0.0003542700000000, -0.0001339800000000, 0.0001767100000000 ] - [ -0.0000512200000000, 0.0002124200000000, 0.0000243200000000 ] - [ -0.0001522200000000, 0.0001911800000000, -0.0000725000000000 ] - [ -0.0000566500000000, -0.0002147400000000, -0.0000349900000000 ] - [ -0.0000538700000000, -0.0002381200000000, -0.0000448900000000 ] - [ 0.0000196300000000, 0.0001050500000000, -0.0001431100000000 ] - [ -0.0001803000000000, 0.0001522000000000, 0.0001423600000000 ] - [ -0.0000859500000000, -0.0001190600000000, 0.0001596400000000 ] - [ 0.0000051300000000, -0.0000794800000000, -0.0002227900000000 ] - [ -0.0003479700000000, 0.0001426800000000, -0.0000609900000000 ] - [ -0.0001523200000000, 0.0002326300000000, 0.0001400100000000 ] - [ 0.0002763900000000, -0.0001259900000000, 0.0001657600000000 ] - [ 0.0001277200000000, -0.0002255900000000, -0.0000808800000000 ] - [ -0.0480475100000000, -0.0548819800000000, 0.0576805300000000 ] - [ -0.0024126300000000, 0.0072929400000000, -0.0045263100000000 ] - [ -0.0001976600000000, -0.0001236400000000, -0.0005161400000000 ] - [ -0.0000730500000000, -0.0000985800000000, -0.0005049500000000 ] - [ 0.0016805900000000, 0.0011611000000000, 0.0003812300000000 ] - [ -0.0010430600000000, 0.0002829400000000, 0.0008373300000000 ] - [ 0.0001548100000000, -0.0000103200000000, -0.0004883400000000 ] - [ -0.0000277600000000, -0.0000202700000000, -0.0002223500000000 ] - [ 0.0001251100000000, -0.0002016900000000, 0.0002503800000000 ] - [ -0.0003630900000000, -0.0000318800000000, 0.0003046300000000 ] - [ 0.0003791600000000, -0.0003510500000000, -0.0000356000000000 ] - [ 0.0003650800000000, -0.0000625700000000, -0.0005558400000000 ] - [ 0.0000990300000000, -0.0000004900000000, 0.0000273100000000 ] - [ 0.0000760700000000, 0.0000167900000000, 0.0001169800000000 ] - [ 0.0004132700000000, -0.0000175800000000, 0.0000352500000000 ] - [ 0.0000389500000000, -0.0000066900000000, -0.0001149500000000 ] - [ 0.0003155500000000, -0.0000043800000000, 0.0000611000000000 ] - [ -0.0001182600000000, -0.0000131500000000, 0.0000192200000000 ] - [ -0.0000020700000000, 0.0000251300000000, 0.0001142100000000 ] - [ 0.0003852300000000, 0.0000095700000000, -0.0000778800000000 ] - [ -0.0000347100000000, -0.0001339000000000, -0.0006302200000000 ] - [ -0.0042209800000000, -0.0035681000000000, 0.0024235000000000 ] - [ -0.0002705500000000, 0.0000112400000000, -0.0001045300000000 ] - [ -0.0006030200000000, -0.0030250900000000, -0.0000114000000000 ] - [ 0.0003346200000000, -0.0001116400000000, 0.0001005000000000 ] - [ 0.0001920800000000, -0.0001075300000000, 0.0001656700000000 ] - [ 0.0000552700000000, 0.0000870600000000, -0.0003382700000000 ] - [ -0.0000062600000000, 0.0000774700000000, 0.0001906600000000 ] - [ 0.0004110000000000, -0.0000056500000000, 0.0000730600000000 ] - [ -0.0001059500000000, -0.0000105300000000, 0.0000198700000000 ] - [ -0.0000844600000000, 0.0000135500000000, -0.0000537000000000 ] - [ 0.0003143500000000, 0.0000078600000000, 0.0000254400000000 ]- atom: 5 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ -0.0047432700000000, -0.0125680800000000, 0.0095709800000000 ] - [ -0.0097280500000000, 0.0044328600000000, 0.0200502700000000 ] - [ -0.0008016700000000, -0.0013478300000000, 0.0044453400000000 ] - [ -0.0006135200000000, 0.0012163900000000, 0.0041480000000000 ] - [ 0.1803088700000000, 0.0821337400000000, -0.2552664600000000 ] - [ -0.0009970100000000, 0.0021860200000000, 0.0058827600000000 ] - [ 0.0000838000000000, -0.0005707000000000, 0.0054383200000000 ] - [ -0.0008239300000000, 0.0002373700000000, 0.0039472800000000 ] - [ -0.0150820700000000, -0.0019728000000000, -0.0048562400000000 ] - [ 0.0073788000000000, 0.0007407700000000, 0.0027116900000000 ] - [ -0.0027526600000000, 0.0001899200000000, 0.0019094600000000 ] - [ 0.0003376000000000, 0.0002298300000000, 0.0024327200000000 ] - [ -0.0023353500000000, 0.0002139700000000, -0.0003283900000000 ] - [ 0.0015891300000000, 0.0003915400000000, -0.0035207800000000 ] - [ -0.0006255500000000, 0.0001163500000000, 0.0025064600000000 ] - [ 0.0016872500000000, -0.0002782300000000, 0.0034336800000000 ] - [ -0.0016963100000000, -0.0014193600000000, -0.0022639700000000 ] - [ 0.0019182600000000, -0.0002760300000000, -0.0000027600000000 ] - [ -0.0011053200000000, -0.0000428800000000, 0.0011126700000000 ] - [ -0.0001431500000000, -0.0007902700000000, 0.0019105600000000 ] - [ 0.0001657600000000, -0.0000170500000000, -0.0012514400000000 ] - [ -0.0010329200000000, 0.0011741000000000, -0.0031147500000000 ] - [ -0.0012652300000000, 0.0000863200000000, 0.0010083900000000 ] - [ -0.0001492200000000, 0.0009288300000000, 0.0019958500000000 ] - [ 0.0030490600000000, 0.0000510300000000, -0.0028531300000000 ] - [ 0.0007459700000000, 0.0000383600000000, 0.0014428500000000 ] - [ -0.0057383700000000, -0.0001850700000000, 0.0001747000000000 ] - [ -0.0019358400000000, 0.0000314900000000, 0.0014350300000000 ] - [ -0.0002707000000000, -0.0000017400000000, -0.0007679500000000 ] - [ 0.0000180600000000, -0.0000466800000000, -0.0002090300000000 ] - [ -0.0006608600000000, -0.0000233800000000, 0.0005228700000000 ] - [ 0.0001669600000000, 0.0000594900000000, 0.0004142500000000 ] - [ -0.0002084200000000, 0.0002010000000000, -0.0001256500000000 ] - [ -0.0005211700000000, 0.0001146200000000, -0.0002321300000000 ] - [ -0.0001414400000000, -0.0001868300000000, 0.0003016500000000 ] - [ -0.0000092400000000, -0.0001862500000000, -0.0001219700000000 ] - [ -0.0010769900000000, 0.0000984300000000, 0.0003740300000000 ] - [ 0.0001458200000000, 0.0001040300000000, -0.0007027800000000 ] - [ 0.0001223200000000, -0.0001613100000000, 0.0001870500000000 ] - [ 0.0000601000000000, -0.0001588600000000, 0.0000305100000000 ] - [ -0.0002053600000000, 0.0001547000000000, 0.0002230300000000 ] - [ -0.0006059800000000, 0.0000223100000000, -0.0004162000000000 ] - [ 0.0001517200000000, -0.0003287700000000, 0.0001905900000000 ] - [ -0.0000700800000000, -0.0003275500000000, -0.0003242500000000 ] - [ -0.0001048800000000, 0.0001464800000000, 0.0001312500000000 ] - [ -0.0005676700000000, 0.0003618700000000, -0.0001033900000000 ] - [ 0.0001290100000000, 0.0000004200000000, 0.0003621600000000 ] - [ -0.0000084900000000, 0.0000108500000000, -0.0005499700000000 ] - [ -0.0009709200000000, 0.0001507500000000, 0.0005661300000000 ] - [ -0.0024471700000000, 0.0004003500000000, -0.0000891200000000 ] - [ 0.0013123200000000, 0.0000357700000000, 0.0007846300000000 ] - [ 0.0014468000000000, 0.0002896900000000, 0.0004633100000000 ] - [ -0.1444720900000000, -0.0639802500000000, 0.2242637600000000 ] - [ -0.0066373400000000, -0.0091495800000000, -0.0140045300000000 ] - [ 0.0034392000000000, 0.0001265000000000, -0.0077412000000000 ] - [ 0.0002745300000000, -0.0003686200000000, -0.0066628900000000 ] - [ 0.0085049200000000, 0.0001980900000000, 0.0020979100000000 ] - [ -0.0078295400000000, -0.0003167600000000, 0.0017640700000000 ] - [ 0.0029929700000000, -0.0002146500000000, -0.0028175000000000 ] - [ 0.0001504200000000, 0.0004627200000000, -0.0036623900000000 ] - [ -0.0015194400000000, -0.0006720000000000, 0.0054154200000000 ] - [ -0.0018333600000000, -0.0002627800000000, -0.0014630500000000 ] - [ 0.0037647000000000, 0.0000649500000000, -0.0016145500000000 ] - [ 0.0016850600000000, -0.0003511000000000, -0.0032680200000000 ] - [ 0.0001506500000000, -0.0000269100000000, 0.0007615600000000 ] - [ -0.0008500900000000, -0.0000162400000000, 0.0000597500000000 ] - [ 0.0018759900000000, -0.0001303900000000, -0.0000000700000000 ] - [ 0.0004070700000000, -0.0000183500000000, -0.0007563800000000 ] - [ 0.0001490000000000, 0.0000084200000000, 0.0005362900000000 ] - [ -0.0001718300000000, 0.0000360700000000, -0.0005223400000000 ] - [ 0.0003465900000000, 0.0001202800000000, 0.0008053700000000 ] - [ 0.0008422700000000, 0.0000081900000000, -0.0004422000000000 ] - [ 0.0044007800000000, 0.0002419000000000, -0.0051567000000000 ] - [ -0.0012799300000000, -0.0011962200000000, 0.0121629000000000 ] - [ -0.0007731000000000, -0.0000048100000000, -0.0042786600000000 ] - [ -0.0068459300000000, 0.0000211500000000, 0.0008914900000000 ] - [ 0.0017827800000000, -0.0001763500000000, 0.0000851400000000 ] - [ -0.0001536100000000, -0.0001466400000000, 0.0023767800000000 ] - [ 0.0004093500000000, 0.0000687300000000, -0.0017650600000000 ] - [ -0.0013022500000000, -0.0000246400000000, -0.0001833700000000 ] - [ 0.0008273700000000, 0.0000009000000000, 0.0003811700000000 ] - [ -0.0001042700000000, -0.0000005500000000, 0.0002326400000000 ] - [ 0.0001855300000000, 0.0000313900000000, -0.0002470500000000 ] - [ 0.0002047900000000, 0.0000076200000000, -0.0002564300000000 ]- atom: 5 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0051280500000000, 0.0127034000000000, -0.0092930400000000 ] - [ 0.0096069100000000, -0.0045317000000000, -0.0206819400000000 ] - [ 0.0004825500000000, 0.0013778700000000, -0.0046918100000000 ] - [ 0.0009247400000000, -0.0011899300000000, -0.0038989000000000 ] - [ -0.1904798700000000, -0.0866461400000000, 0.2654667700000000 ] - [ 0.0013742900000000, -0.0020965200000000, -0.0063782900000000 ] - [ 0.0002890800000000, 0.0004545700000000, -0.0059077300000000 ] - [ 0.0004472100000000, -0.0003519400000000, -0.0034709700000000 ] - [ 0.0149656600000000, 0.0016476800000000, 0.0048718800000000 ] - [ -0.0074054400000000, -0.0010799700000000, -0.0026132500000000 ] - [ 0.0027458600000000, 0.0001408900000000, -0.0018252800000000 ] - [ -0.0003436600000000, 0.0000988800000000, -0.0025288800000000 ] - [ 0.0024104800000000, 0.0000456100000000, 0.0000411100000000 ] - [ -0.0016712600000000, -0.0001364300000000, 0.0038538000000000 ] - [ 0.0005364100000000, -0.0003727500000000, -0.0022051100000000 ] - [ -0.0015953000000000, 0.0000227800000000, -0.0037345800000000 ] - [ 0.0015339200000000, 0.0016456900000000, 0.0025294900000000 ] - [ -0.0017715500000000, 0.0005072300000000, -0.0002567000000000 ] - [ 0.0012591200000000, -0.0001931600000000, -0.0013912500000000 ] - [ -0.0000073300000000, 0.0005562700000000, -0.0016408700000000 ] - [ -0.0006247200000000, -0.0002705200000000, 0.0009619000000000 ] - [ 0.0011727600000000, -0.0017631300000000, 0.0031447500000000 ] - [ 0.0011231500000000, 0.0005106600000000, -0.0010554900000000 ] - [ 0.0002974200000000, -0.0003345700000000, -0.0019575000000000 ] - [ -0.0031958600000000, 0.0000256400000000, 0.0025609800000000 ] - [ -0.0006054200000000, 0.0000392500000000, -0.0011600700000000 ] - [ 0.0058981400000000, 0.0001039900000000, 0.0000875100000000 ] - [ 0.0017951500000000, -0.0001080100000000, -0.0017136200000000 ] - [ 0.0005496400000000, -0.0000335000000000, 0.0004677800000000 ] - [ -0.0002956000000000, 0.0000116900000000, 0.0005151800000000 ] - [ 0.0003842400000000, 0.0000592000000000, -0.0002229200000000 ] - [ 0.0001138200000000, -0.0000240800000000, -0.0007138600000000 ] - [ 0.0004320300000000, 0.0001472500000000, -0.0000361900000000 ] - [ 0.0003019800000000, 0.0002343800000000, 0.0003983600000000 ] - [ -0.0000785200000000, -0.0001615800000000, -0.0001362100000000 ] - [ 0.0002326200000000, -0.0001623100000000, -0.0000422000000000 ] - [ 0.0004471000000000, 0.0001640200000000, 0.0000558300000000 ] - [ 0.0004887100000000, 0.0001583700000000, 0.0002772400000000 ] - [ 0.0005085900000000, -0.0001007800000000, -0.0006132800000000 ] - [ -0.0006879000000000, -0.0001036800000000, 0.0003957500000000 ] - [ 0.0002555800000000, 0.0002738600000000, -0.0001786800000000 ] - [ 0.0005597500000000, 0.0004073100000000, 0.0003760100000000 ] - [ -0.0001992800000000, -0.0001001800000000, -0.0002295400000000 ] - [ 0.0001184000000000, -0.0001016300000000, 0.0003652100000000 ] - [ 0.0002509600000000, 0.0000750200000000, -0.0004592300000000 ] - [ 0.0004253200000000, -0.0001422000000000, 0.0004342400000000 ] - [ -0.0002734800000000, -0.0002201900000000, -0.0000290700000000 ] - [ 0.0001533200000000, -0.0002313600000000, 0.0002183100000000 ] - [ 0.0005191800000000, 0.0001383200000000, -0.0008501700000000 ] - [ 0.0029156600000000, -0.0001121000000000, 0.0003752300000000 ] - [ -0.0008567500000000, -0.0003244800000000, -0.0004957900000000 ] - [ -0.0015985100000000, -0.0008823600000000, -0.0004933500000000 ] - [ 0.1540297700000000, 0.0685803100000000, -0.2338038300000000 ] - [ 0.0066524500000000, 0.0094241600000000, 0.0138464300000000 ] - [ -0.0034508000000000, -0.0002911000000000, 0.0075759600000000 ] - [ -0.0002397700000000, 0.0002151300000000, 0.0068298200000000 ] - [ -0.0083221200000000, -0.0001358200000000, -0.0021611100000000 ] - [ 0.0077374200000000, 0.0003786600000000, -0.0017277600000000 ] - [ -0.0031071500000000, 0.0001548400000000, 0.0028974800000000 ] - [ -0.0000324800000000, -0.0005220900000000, 0.0036002100000000 ] - [ 0.0019654600000000, 0.0007317700000000, -0.0060127600000000 ] - [ 0.0013952400000000, 0.0003253700000000, 0.0020715700000000 ] - [ -0.0042306400000000, -0.0001292700000000, 0.0022496600000000 ] - [ -0.0012475100000000, 0.0002876500000000, 0.0026553300000000 ] - [ -0.0003181600000000, 0.0000454500000000, -0.0008831400000000 ] - [ 0.0010189400000000, 0.0000345400000000, 0.0000619600000000 ] - [ -0.0017160200000000, 0.0001126000000000, 0.0001286500000000 ] - [ -0.0005808200000000, -0.0000003700000000, 0.0006316100000000 ] - [ 0.0002635000000000, -0.0000315900000000, -0.0006074700000000 ] - [ -0.0002449000000000, -0.0000593400000000, 0.0005981200000000 ] - [ -0.0007661000000000, -0.0000969100000000, -0.0007290500000000 ] - [ -0.0004294800000000, 0.0000159100000000, 0.0003636600000000 ] - [ -0.0043740300000000, -0.0002771100000000, 0.0044048100000000 ] - [ 0.0011726300000000, 0.0011722700000000, -0.0114019800000000 ] - [ 0.0007320500000000, 0.0000367100000000, 0.0050506200000000 ] - [ 0.0070123500000000, 0.0000143900000000, -0.0015058000000000 ] - [ -0.0017181900000000, -0.0000021600000000, 0.0002248700000000 ] - [ 0.0000776900000000, -0.0000320500000000, -0.0027001800000000 ] - [ -0.0004739600000000, 0.0001097800000000, 0.0014548000000000 ] - [ 0.0013610300000000, 0.0002027300000000, 0.0005033400000000 ] - [ -0.0003713900000000, -0.0000186400000000, -0.0003158200000000 ] - [ -0.0003563800000000, -0.0000170300000000, -0.0002991300000000 ] - [ -0.0006461500000000, -0.0000136100000000, 0.0001846100000000 ] - [ 0.0002501900000000, 0.0000101900000000, 0.0003229000000000 ]- atom: 9 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0114388500000000, -0.0150794100000000, 0.0157425900000000 ] - [ 0.0071773200000000, 0.0097700900000000, 0.0219728600000000 ] - [ -0.0014665100000000, 0.0009737600000000, -0.0015665800000000 ] - [ -0.0010402200000000, -0.0007324900000000, -0.0011574300000000 ] - [ 0.0346283600000000, 0.0041701700000000, -0.0095026600000000 ] - [ -0.0057190400000000, 0.0017893900000000, 0.0063377300000000 ] - [ -0.0028359400000000, -0.0000601500000000, -0.0034842900000000 ] - [ -0.0024786200000000, 0.0000564400000000, 0.0002314100000000 ] - [ -0.5596076700000000, -0.0035650800000000, -0.0382802200000000 ] - [ 0.0058152400000000, 0.0006676400000000, 0.0049496700000000 ] - [ -0.0002817400000000, 0.0003061200000000, -0.0019855100000000 ] - [ -0.0050566400000000, 0.0001593600000000, -0.0007312500000000 ] - [ 0.0140571900000000, -0.0019606100000000, -0.0197011400000000 ] - [ 0.0034295900000000, 0.0002908300000000, 0.0014197100000000 ] - [ 0.0009935100000000, -0.0003424500000000, -0.0002729700000000 ] - [ -0.0030000800000000, -0.0003109100000000, -0.0005613000000000 ] - [ 0.0181641800000000, 0.0161740400000000, 0.0043372600000000 ] - [ 0.0021370500000000, -0.0010244700000000, 0.0016130700000000 ] - [ 0.0013236300000000, -0.0001751200000000, -0.0013256400000000 ] - [ -0.0014332900000000, 0.0007035200000000, -0.0006048200000000 ] - [ 0.0054660800000000, -0.0027745300000000, 0.0057348700000000 ] - [ 0.0279482400000000, -0.0165572400000000, 0.0182615000000000 ] - [ 0.0014175600000000, 0.0005712000000000, -0.0011771100000000 ] - [ -0.0011709400000000, -0.0004729300000000, -0.0012234300000000 ] - [ -0.0080326300000000, -0.0012026700000000, 0.0074009400000000 ] - [ 0.0009960200000000, 0.0001188300000000, 0.0015766900000000 ] - [ 0.0053944500000000, 0.0000517400000000, -0.0017950000000000 ] - [ -0.0030097600000000, -0.0001663900000000, -0.0028179400000000 ] - [ 0.0041479800000000, 0.0000958600000000, 0.0003995300000000 ] - [ 0.0023127000000000, -0.0001271500000000, 0.0008881800000000 ] - [ 0.0021480900000000, 0.0001607900000000, 0.0003080200000000 ] - [ 0.0009694400000000, -0.0000989300000000, -0.0000596200000000 ] - [ 0.0032971900000000, -0.0000490700000000, -0.0003503500000000 ] - [ 0.0035401100000000, 0.0005004000000000, 0.0004581500000000 ] - [ 0.0022513900000000, -0.0004038800000000, 0.0007909400000000 ] - [ 0.0028784400000000, 0.0001296200000000, 0.0013148300000000 ] - [ 0.0039701800000000, 0.0002963000000000, -0.0014000800000000 ] - [ 0.0037514800000000, 0.0000627400000000, -0.0003179400000000 ] - [ 0.0025820200000000, -0.0001130000000000, 0.0001626400000000 ] - [ 0.0008647800000000, -0.0000082900000000, 0.0021692400000000 ] - [ 0.0015261000000000, 0.0004715500000000, -0.0003438500000000 ] - [ 0.0025312600000000, 0.0005290700000000, 0.0008890400000000 ] - [ 0.0019314500000000, -0.0005838700000000, 0.0009707700000000 ] - [ 0.0028556800000000, 0.0007194900000000, 0.0022803900000000 ] - [ 0.0009447000000000, 0.0000530000000000, -0.0009157200000000 ] - [ 0.0017625400000000, -0.0005109300000000, 0.0005325400000000 ] - [ 0.0014538400000000, 0.0005242500000000, 0.0007436700000000 ] - [ 0.0027052500000000, -0.0013054100000000, 0.0016812800000000 ] - [ -0.0004787700000000, -0.0001074600000000, -0.0022837800000000 ] - [ 0.0052246100000000, -0.0002372800000000, -0.0001779500000000 ] - [ 0.0038398000000000, 0.0002724400000000, 0.0009996800000000 ] - [ 0.0019147800000000, 0.0008309800000000, 0.0021076200000000 ] - [ 0.2066795800000000, -0.0074308600000000, 0.0514083500000000 ] - [ 0.0027829600000000, -0.0056225600000000, -0.0191761400000000 ] - [ 0.0016085700000000, -0.0007206800000000, 0.0031488900000000 ] - [ 0.0049076700000000, 0.0002690400000000, 0.0020264300000000 ] - [ 0.2256428300000000, 0.0101820600000000, -0.0330065000000000 ] - [ -0.0066325100000000, 0.0006072500000000, -0.0024716700000000 ] - [ -0.0013157500000000, -0.0001470000000000, 0.0017057300000000 ] - [ 0.0047846900000000, -0.0004306200000000, 0.0006102100000000 ] - [ 0.0059200000000000, 0.0108812000000000, -0.0233482200000000 ] - [ -0.0036614400000000, -0.0007121500000000, -0.0032611600000000 ] - [ -0.0061467000000000, 0.0000127100000000, 0.0027332600000000 ] - [ 0.0020233100000000, 0.0005139400000000, 0.0022267000000000 ] - [ -0.0083746000000000, 0.0004264300000000, -0.0021620400000000 ] - [ -0.0040646200000000, -0.0003080200000000, -0.0007284200000000 ] - [ -0.0048291800000000, 0.0002873400000000, -0.0000968300000000 ] - [ -0.0012961000000000, 0.0000264300000000, 0.0007068700000000 ] - [ -0.0032886700000000, -0.0003429600000000, -0.0040212900000000 ] - [ -0.0034945600000000, 0.0001977300000000, -0.0010676800000000 ] - [ -0.0049393200000000, -0.0002027600000000, -0.0006266300000000 ] - [ -0.0042227100000000, -0.0000510000000000, 0.0018151400000000 ] - [ 0.0125663300000000, 0.0000829700000000, 0.0027426000000000 ] - [ -0.0073008800000000, -0.0003738600000000, 0.0053568600000000 ] - [ 0.0005440900000000, -0.0000887100000000, -0.0021689500000000 ] - [ 0.0160232500000000, -0.0000600800000000, 0.0036253600000000 ] - [ -0.0062628000000000, 0.0004543000000000, 0.0067233100000000 ] - [ -0.0051610200000000, -0.0001742500000000, -0.0009334900000000 ] - [ -0.0028577000000000, 0.0000863800000000, -0.0007065800000000 ] - [ 0.0012366600000000, 0.0002732900000000, -0.0036793000000000 ] - [ -0.0048621900000000, -0.0001539800000000, 0.0000947800000000 ] - [ -0.0040161700000000, 0.0000820300000000, -0.0001522400000000 ] - [ -0.0039194400000000, -0.0000593000000000, -0.0007744600000000 ] - [ -0.0022528500000000, 0.0000157500000000, -0.0007811100000000 ]- atom: 9 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0111827300000000, 0.0152024200000000, -0.0156030600000000 ] - [ -0.0074622300000000, -0.0098041900000000, -0.0223472700000000 ] - [ 0.0011633800000000, -0.0009467200000000, 0.0013047200000000 ] - [ 0.0013583200000000, 0.0007601700000000, 0.0014024500000000 ] - [ -0.0356644700000000, -0.0041595000000000, 0.0101728500000000 ] - [ 0.0060995200000000, -0.0016775000000000, -0.0068153400000000 ] - [ 0.0032348800000000, -0.0000501600000000, 0.0030035800000000 ] - [ 0.0021048100000000, -0.0001704500000000, 0.0002409500000000 ] - [ 0.5580195400000000, 0.0013013200000000, 0.0462046900000000 ] - [ -0.0057979900000000, -0.0009923200000000, -0.0048553800000000 ] - [ 0.0003052400000000, 0.0000239300000000, 0.0020845300000000 ] - [ 0.0050462900000000, 0.0001712200000000, 0.0006292700000000 ] - [ -0.0138620100000000, 0.0021932800000000, 0.0191811300000000 ] - [ -0.0035125200000000, -0.0000329900000000, -0.0011211800000000 ] - [ -0.0010743100000000, 0.0000853500000000, 0.0005796400000000 ] - [ 0.0030695200000000, 0.0000535800000000, 0.0002385600000000 ] - [ -0.0181069400000000, -0.0156813000000000, -0.0040744500000000 ] - [ -0.0019803500000000, 0.0012568200000000, -0.0018825100000000 ] - [ -0.0011687200000000, -0.0000551000000000, 0.0010634700000000 ] - [ 0.0012772600000000, -0.0009317900000000, 0.0008633900000000 ] - [ -0.0059220900000000, 0.0024670300000000, -0.0059874100000000 ] - [ -0.0272738100000000, 0.0157094600000000, -0.0178850600000000 ] - [ -0.0015609000000000, 0.0000197300000000, 0.0011461200000000 ] - [ 0.0013137100000000, 0.0010628800000000, 0.0012499700000000 ] - [ 0.0078029500000000, 0.0012608900000000, -0.0076810700000000 ] - [ -0.0008442800000000, -0.0000412600000000, -0.0012947200000000 ] - [ -0.0052523300000000, -0.0001286700000000, 0.0020792100000000 ] - [ 0.0028564000000000, 0.0000898600000000, 0.0025303200000000 ] - [ -0.0038639400000000, -0.0001317400000000, -0.0007018800000000 ] - [ -0.0025890900000000, 0.0000919300000000, -0.0005864300000000 ] - [ -0.0024248200000000, -0.0001249200000000, -0.0000035600000000 ] - [ -0.0006950000000000, 0.0001344300000000, -0.0002460200000000 ] - [ -0.0030710800000000, 0.0003970700000000, 0.0001855900000000 ] - [ -0.0037620900000000, -0.0001523500000000, -0.0002955200000000 ] - [ -0.0024748900000000, 0.0000566000000000, -0.0006268300000000 ] - [ -0.0026535000000000, -0.0004769500000000, -0.0014749900000000 ] - [ -0.0046003900000000, -0.0000336600000000, 0.0018246300000000 ] - [ -0.0031173200000000, 0.0001997300000000, -0.0001100300000000 ] - [ -0.0019480400000000, -0.0001490000000000, -0.0005885000000000 ] - [ -0.0015016400000000, -0.0002532900000000, -0.0017365300000000 ] - [ -0.0014769400000000, -0.0000406300000000, 0.0003838000000000 ] - [ -0.0025806200000000, -0.0000985700000000, -0.0009310500000000 ] - [ -0.0019796400000000, 0.0001542700000000, -0.0010129000000000 ] - [ -0.0028041000000000, -0.0011470500000000, -0.0022336300000000 ] - [ -0.0008019000000000, 0.0001690300000000, 0.0005796400000000 ] - [ -0.0019057300000000, 0.0007334100000000, -0.0001992300000000 ] - [ -0.0015961900000000, -0.0007462200000000, -0.0004104900000000 ] - [ -0.0025575000000000, 0.0010804400000000, -0.0020113000000000 ] - [ 0.0000146700000000, 0.0003954500000000, 0.0019944700000000 ] - [ -0.0047654600000000, 0.0005263900000000, 0.0004621800000000 ] - [ -0.0033755600000000, -0.0005604500000000, -0.0007164800000000 ] - [ -0.0020563400000000, -0.0014230300000000, -0.0021450300000000 ] - [ -0.2200751300000000, 0.0084522600000000, -0.0563085600000000 ] - [ -0.0028296900000000, 0.0057594900000000, 0.0189951700000000 ] - [ -0.0016660500000000, 0.0005661800000000, -0.0033090600000000 ] - [ -0.0048757700000000, -0.0004275000000000, -0.0018459800000000 ] - [ -0.2106961100000000, -0.0091076100000000, 0.0299891700000000 ] - [ 0.0064948200000000, -0.0005460300000000, 0.0025458000000000 ] - [ 0.0011825900000000, 0.0000864200000000, -0.0016464300000000 ] - [ -0.0046597200000000, 0.0003673700000000, -0.0006551700000000 ] - [ -0.0053519700000000, -0.0107496200000000, 0.0226374900000000 ] - [ 0.0032109600000000, 0.0007735300000000, 0.0038734500000000 ] - [ 0.0057033800000000, -0.0000737400000000, -0.0021289700000000 ] - [ -0.0015737100000000, -0.0005743900000000, -0.0028252400000000 ] - [ 0.0081923500000000, -0.0004067400000000, 0.0020303200000000 ] - [ 0.0042280600000000, 0.0003269100000000, 0.0008547100000000 ] - [ 0.0049954200000000, -0.0003058500000000, 0.0002211200000000 ] - [ 0.0011299000000000, -0.0000446000000000, -0.0008281500000000 ] - [ 0.0037013900000000, 0.0003203700000000, 0.0039365200000000 ] - [ 0.0030778700000000, -0.0002201200000000, 0.0011419300000000 ] - [ 0.0045225300000000, 0.0002260000000000, 0.0007011700000000 ] - [ 0.0046340800000000, 0.0000740600000000, -0.0018862000000000 ] - [ -0.0124961800000000, -0.0001148500000000, -0.0035028300000000 ] - [ 0.0072468900000000, 0.0003434500000000, -0.0046052600000000 ] - [ -0.0006032500000000, 0.0001203200000000, 0.0029271500000000 ] - [ -0.0159810000000000, 0.0000907800000000, -0.0043675800000000 ] - [ 0.0063166600000000, -0.0006324500000000, -0.0063873000000000 ] - [ 0.0050958800000000, -0.0000031200000000, 0.0006201800000000 ] - [ 0.0027887600000000, 0.0000915100000000, 0.0003879100000000 ] - [ -0.0011531900000000, -0.0000954100000000, 0.0039947300000000 ] - [ 0.0053133200000000, 0.0001357000000000, -0.0000267900000000 ] - [ 0.0035570500000000, -0.0000997700000000, 0.0000873800000000 ] - [ 0.0034602800000000, 0.0000782300000000, 0.0007056900000000 ] - [ 0.0027105100000000, 0.0000023500000000, 0.0008463100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0152997900000000, 0.0102943700000000, -0.0100231800000000 ] - [ 0.0081857700000000, 0.0008502600000000, 0.0080393700000000 ] - [ 0.0000148900000000, -0.0000202900000000, -0.0003036600000000 ] - [ 0.0002126200000000, 0.0000109400000000, 0.0000567800000000 ] - [ 0.0053561100000000, -0.0061652300000000, -0.0007370000000000 ] - [ 0.0003287700000000, 0.0009257700000000, -0.0011410800000000 ] - [ 0.0002186200000000, -0.0000459800000000, -0.0002081800000000 ] - [ -0.0000840700000000, -0.0000561500000000, 0.0001899500000000 ] - [ -0.0024420900000000, -0.0488000600000000, 0.0046660000000000 ] - [ -0.0008281700000000, 0.0010680200000000, -0.0015145500000000 ] - [ 0.0001424400000000, 0.0001383100000000, 0.0000799700000000 ] - [ 0.0000015200000000, 0.0001816500000000, -0.0000658400000000 ] - [ -0.0041000000000000, -0.0054160300000000, 0.0027237300000000 ] - [ -0.0002495200000000, 0.0001257100000000, 0.0002776600000000 ] - [ -0.0000113400000000, -0.0001369500000000, 0.0000790700000000 ] - [ -0.0001675100000000, -0.0000782800000000, -0.0003161400000000 ] - [ 0.0180381600000000, 0.0105125100000000, 0.0038566200000000 ] - [ -0.0000320600000000, 0.0002250100000000, -0.0001509700000000 ] - [ 0.0001279800000000, -0.0001165900000000, -0.0001715900000000 ] - [ -0.0001287800000000, -0.0000734000000000, 0.0001112500000000 ] - [ 0.0003095600000000, 0.0005968600000000, 0.0009521000000000 ] - [ -0.0110997800000000, 0.0003641300000000, -0.0041404800000000 ] - [ -0.0000328800000000, 0.0003074600000000, -0.0000296300000000 ] - [ 0.0000286100000000, 0.0002617200000000, 0.0000023800000000 ] - [ 0.0001386600000000, 0.0022279500000000, 0.0010426500000000 ] - [ 0.0001199400000000, 0.0000387700000000, 0.0000672200000000 ] - [ 0.0003316000000000, -0.0000653100000000, 0.0001123700000000 ] - [ -0.0000973000000000, -0.0000946100000000, -0.0001368500000000 ] - [ 0.0004453900000000, 0.0000859700000000, -0.0000829300000000 ] - [ -0.0001638400000000, -0.0000170100000000, 0.0001507400000000 ] - [ -0.0001221900000000, 0.0000184300000000, 0.0001448500000000 ] - [ 0.0001217000000000, 0.0000225000000000, -0.0001488000000000 ] - [ 0.0000697900000000, 0.0001796000000000, -0.0001002800000000 ] - [ -0.0000825000000000, 0.0001778100000000, 0.0000853200000000 ] - [ -0.0001294600000000, -0.0001718900000000, 0.0000738900000000 ] - [ 0.0000923700000000, -0.0001628300000000, -0.0000683600000000 ] - [ -0.0004337700000000, 0.0001306900000000, 0.0002028200000000 ] - [ 0.0003031500000000, 0.0001331100000000, -0.0001918000000000 ] - [ 0.0003157100000000, -0.0001301300000000, -0.0002286100000000 ] - [ -0.0003937700000000, -0.0001163900000000, 0.0002035000000000 ] - [ 0.0000010600000000, 0.0002141500000000, 0.0000020300000000 ] - [ -0.0000042400000000, 0.0002266300000000, 0.0000021800000000 ] - [ -0.0000444400000000, -0.0002078400000000, -0.0000392400000000 ] - [ 0.0001152000000000, -0.0001625800000000, 0.0000971700000000 ] - [ 0.0000480100000000, 0.0001067300000000, -0.0001781200000000 ] - [ -0.0000552600000000, 0.0000991300000000, 0.0001865100000000 ] - [ -0.0000891900000000, -0.0001200900000000, 0.0001496400000000 ] - [ -0.0000110700000000, -0.0002146000000000, -0.0001383300000000 ] - [ -0.0003189300000000, 0.0001084500000000, -0.0002828700000000 ] - [ 0.0003413800000000, 0.0001361800000000, 0.0001599000000000 ] - [ 0.0001820900000000, -0.0001614300000000, 0.0000929700000000 ] - [ -0.0001872100000000, -0.0004053100000000, -0.0000975600000000 ] - [ -0.0060947800000000, 0.0236964400000000, -0.0026113400000000 ] - [ -0.0019200800000000, -0.0083150700000000, 0.0055567500000000 ] - [ -0.0002053700000000, 0.0000653300000000, -0.0000142000000000 ] - [ -0.0000665900000000, -0.0001595300000000, 0.0002857300000000 ] - [ 0.0077833100000000, 0.0249933500000000, -0.0016913800000000 ] - [ 0.0006574800000000, -0.0000346900000000, -0.0000210100000000 ] - [ -0.0001884000000000, -0.0000125900000000, 0.0000995600000000 ] - [ 0.0000911900000000, -0.0000933800000000, 0.0000599300000000 ] - [ 0.0010472000000000, -0.0090296300000000, -0.0053133900000000 ] - [ -0.0002163500000000, 0.0000964200000000, 0.0004673100000000 ] - [ -0.0003637500000000, -0.0000615300000000, 0.0003544300000000 ] - [ 0.0004071000000000, 0.0000418800000000, -0.0002929000000000 ] - [ -0.0004615800000000, 0.0001514100000000, -0.0003186100000000 ] - [ 0.0001446700000000, 0.0000116500000000, 0.0000822800000000 ] - [ 0.0000194900000000, -0.0000034900000000, 0.0000515300000000 ] - [ -0.0000348000000000, -0.0000170000000000, -0.0000410900000000 ] - [ 0.0003034300000000, -0.0000964300000000, -0.0000629000000000 ] - [ -0.0001871300000000, -0.0000129900000000, 0.0000712100000000 ] - [ -0.0002207200000000, 0.0000047400000000, -0.0000089700000000 ] - [ 0.0002436400000000, 0.0000145000000000, -0.0000176300000000 ] - [ -0.0001216400000000, 0.0004453200000000, -0.0007161900000000 ] - [ 0.0002362600000000, -0.0001575900000000, -0.0004461000000000 ] - [ -0.0001400400000000, 0.0000268100000000, 0.0005771100000000 ] - [ 0.0003342100000000, 0.0019554800000000, -0.0002173400000000 ] - [ -0.0001175500000000, -0.0004770800000000, 0.0011597400000000 ] - [ -0.0000047400000000, -0.0000756500000000, -0.0002712600000000 ] - [ -0.0000591700000000, 0.0000890400000000, -0.0000989400000000 ] - [ 0.0001184400000000, 0.0001409300000000, 0.0000389200000000 ] - [ 0.0002105100000000, -0.0000274700000000, 0.0000519200000000 ] - [ -0.0002030400000000, -0.0000100400000000, -0.0000218800000000 ] - [ -0.0002379200000000, 0.0000111200000000, -0.0000399100000000 ] - [ 0.0002647900000000, 0.0000099000000000, 0.0000360500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0154169600000000, -0.0102573300000000, 0.0101761300000000 ] - [ -0.0085127600000000, -0.0008132900000000, -0.0083317000000000 ] - [ -0.0003318700000000, 0.0000479500000000, 0.0000549400000000 ] - [ 0.0001006800000000, 0.0000176500000000, 0.0001951500000000 ] - [ -0.0057090500000000, 0.0063059300000000, 0.0012369300000000 ] - [ 0.0000426600000000, -0.0008074400000000, 0.0006572700000000 ] - [ 0.0001469100000000, -0.0000679800000000, -0.0002686600000000 ] - [ -0.0002914100000000, -0.0000575300000000, 0.0002907700000000 ] - [ 0.0024200900000000, 0.0486439100000000, -0.0052737800000000 ] - [ 0.0008317800000000, -0.0013904500000000, 0.0016048800000000 ] - [ -0.0001389600000000, 0.0001915000000000, 0.0000133600000000 ] - [ -0.0000110800000000, 0.0001485100000000, -0.0000269600000000 ] - [ 0.0041530900000000, 0.0057015400000000, -0.0030410900000000 ] - [ 0.0001650400000000, 0.0001323100000000, 0.0000287000000000 ] - [ -0.0000737400000000, -0.0001204300000000, 0.0002248700000000 ] - [ 0.0002522400000000, -0.0001799900000000, 0.0000165300000000 ] - [ -0.0179567700000000, -0.0102104800000000, -0.0035721600000000 ] - [ 0.0001850800000000, 0.0000071400000000, -0.0001153800000000 ] - [ 0.0000253100000000, -0.0001166100000000, -0.0000975100000000 ] - [ -0.0000245700000000, -0.0001600500000000, 0.0001595000000000 ] - [ -0.0007563100000000, -0.0008809400000000, -0.0012307400000000 ] - [ 0.0112869400000000, -0.0008997800000000, 0.0042022500000000 ] - [ -0.0001113100000000, 0.0002866000000000, -0.0000087500000000 ] - [ 0.0001163400000000, 0.0003323100000000, 0.0000373800000000 ] - [ -0.0002634100000000, -0.0021473700000000, -0.0012974000000000 ] - [ 0.0000293000000000, 0.0000382300000000, 0.0002138200000000 ] - [ -0.0001760600000000, -0.0000108700000000, 0.0001652900000000 ] - [ -0.0000518900000000, 0.0000181400000000, -0.0001403100000000 ] - [ -0.0001642200000000, -0.0001204300000000, -0.0002216200000000 ] - [ -0.0001143700000000, -0.0000182100000000, 0.0001506300000000 ] - [ -0.0001554000000000, 0.0000174900000000, 0.0001548500000000 ] - [ 0.0001579600000000, 0.0000133300000000, -0.0001480800000000 ] - [ 0.0001522600000000, 0.0001686700000000, -0.0000629600000000 ] - [ -0.0001396300000000, 0.0001702600000000, 0.0000776000000000 ] - [ -0.0000924600000000, -0.0001758300000000, 0.0000900700000000 ] - [ 0.0001323200000000, -0.0001849800000000, -0.0000948900000000 ] - [ -0.0001985400000000, 0.0001322900000000, 0.0002227700000000 ] - [ 0.0003258900000000, 0.0001294100000000, -0.0002329100000000 ] - [ 0.0003129700000000, -0.0001323600000000, -0.0001949500000000 ] - [ -0.0002320400000000, -0.0001458800000000, 0.0002206900000000 ] - [ 0.0000471100000000, 0.0002149500000000, 0.0000409300000000 ] - [ -0.0000441300000000, 0.0002036900000000, -0.0000435700000000 ] - [ -0.0000029900000000, -0.0002219600000000, -0.0000008700000000 ] - [ -0.0000652000000000, -0.0002668200000000, -0.0000571300000000 ] - [ 0.0000955900000000, 0.0001166700000000, -0.0001526900000000 ] - [ -0.0000879900000000, 0.0001231100000000, 0.0001455900000000 ] - [ -0.0000542700000000, -0.0001021600000000, 0.0001843400000000 ] - [ 0.0001565700000000, -0.0000089200000000, -0.0001967400000000 ] - [ -0.0001396400000000, 0.0001807800000000, 0.0000037100000000 ] - [ 0.0001200300000000, 0.0001532400000000, 0.0001205700000000 ] - [ 0.0002773000000000, -0.0001277600000000, 0.0001885100000000 ] - [ 0.0000423800000000, -0.0001871100000000, 0.0000621400000000 ] - [ 0.0071485800000000, -0.0237566300000000, 0.0031362300000000 ] - [ 0.0019050100000000, 0.0084362000000000, -0.0057085400000000 ] - [ 0.0001801100000000, -0.0002210900000000, -0.0001539500000000 ] - [ 0.0001015100000000, 0.0000027600000000, -0.0001224300000000 ] - [ -0.0087269000000000, -0.0251585600000000, 0.0018679500000000 ] - [ -0.0007811200000000, 0.0000948600000000, 0.0000855900000000 ] - [ 0.0000656900000000, -0.0000467300000000, -0.0000310600000000 ] - [ 0.0000351300000000, 0.0000341100000000, -0.0001335800000000 ] - [ -0.0006580600000000, 0.0090583100000000, 0.0046953400000000 ] - [ -0.0002268800000000, -0.0000335700000000, 0.0001438300000000 ] - [ -0.0000831300000000, -0.0000021800000000, 0.0002625800000000 ] - [ 0.0000369500000000, -0.0001048000000000, -0.0003259800000000 ] - [ 0.0002876500000000, -0.0001317300000000, 0.0001941100000000 ] - [ 0.0000213400000000, 0.0000074600000000, 0.0000433300000000 ] - [ 0.0001456200000000, -0.0000153100000000, 0.0000770300000000 ] - [ -0.0001318200000000, -0.0000024000000000, -0.0000899400000000 ] - [ 0.0001043900000000, 0.0000731300000000, -0.0000087800000000 ] - [ -0.0002247100000000, -0.0000097900000000, 0.0000008100000000 ] - [ -0.0001903900000000, 0.0000183200000000, 0.0000824600000000 ] - [ 0.0001691600000000, 0.0000090700000000, -0.0000597000000000 ] - [ 0.0001700900000000, -0.0004759000000000, -0.0000466600000000 ] - [ -0.0002884300000000, 0.0001244800000000, 0.0012079400000000 ] - [ 0.0000878000000000, 0.0000045900000000, 0.0001818700000000 ] - [ -0.0002605800000000, -0.0019232400000000, -0.0005695700000000 ] - [ 0.0001845000000000, 0.0002950700000000, -0.0008381800000000 ] - [ -0.0000616400000000, -0.0001015900000000, -0.0000467000000000 ] - [ -0.0000059000000000, 0.0000883400000000, -0.0002176100000000 ] - [ -0.0000593100000000, 0.0000369300000000, 0.0002708100000000 ] - [ 0.0002449400000000, 0.0000089600000000, 0.0000160400000000 ] - [ -0.0002531100000000, -0.0000083400000000, -0.0000445300000000 ] - [ -0.0002190700000000, 0.0000080500000000, -0.0000262900000000 ] - [ 0.0001898300000000, 0.0000085800000000, 0.0000282900000000 ]- atom: 9 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0075184300000000, -0.0015592400000000, -0.0060204600000000 ] - [ 0.0166038300000000, 0.0093637600000000, 0.0080234000000000 ] - [ -0.0015359900000000, -0.0004243000000000, 0.0028726700000000 ] - [ -0.0003509200000000, 0.0007077400000000, 0.0023918900000000 ] - [ -0.0181543500000000, -0.0020184700000000, -0.0050835800000000 ] - [ 0.0011576000000000, 0.0005635300000000, 0.0014517800000000 ] - [ -0.0023387700000000, -0.0004891500000000, 0.0016608800000000 ] - [ -0.0003004200000000, 0.0000928300000000, 0.0026574800000000 ] - [ 0.0420100200000000, 0.0052180400000000, -0.0824924600000000 ] - [ 0.0039806300000000, 0.0012481200000000, 0.0007023300000000 ] - [ -0.0019729100000000, 0.0001772200000000, 0.0007317200000000 ] - [ 0.0000826100000000, 0.0001849900000000, 0.0020706800000000 ] - [ -0.0204689600000000, 0.0026265400000000, 0.0048076900000000 ] - [ 0.0002160500000000, 0.0002310700000000, -0.0014500600000000 ] - [ -0.0003770100000000, -0.0000189300000000, 0.0011638800000000 ] - [ 0.0015185100000000, -0.0002658300000000, 0.0035140800000000 ] - [ -0.0000242800000000, -0.0027033100000000, -0.0100534000000000 ] - [ 0.0007023000000000, 0.0000073700000000, -0.0003791700000000 ] - [ -0.0004905400000000, -0.0001550800000000, 0.0002737500000000 ] - [ -0.0002468700000000, -0.0009004000000000, 0.0024338800000000 ] - [ 0.0021322900000000, -0.0009290300000000, -0.0012615200000000 ] - [ 0.0126870100000000, -0.0041687000000000, -0.0044537400000000 ] - [ -0.0006340100000000, 0.0002886900000000, 0.0002613500000000 ] - [ -0.0000701100000000, 0.0010640500000000, 0.0023693800000000 ] - [ 0.0046728500000000, 0.0007095000000000, -0.0000342900000000 ] - [ 0.0004001100000000, 0.0000380400000000, 0.0005825200000000 ] - [ -0.0015172300000000, -0.0000824600000000, 0.0002796900000000 ] - [ -0.0011287200000000, 0.0000581500000000, 0.0022564300000000 ] - [ -0.0000319500000000, 0.0000160200000000, -0.0019466800000000 ] - [ -0.0002877500000000, -0.0000069400000000, 0.0000300100000000 ] - [ -0.0003406100000000, 0.0000114100000000, 0.0002095900000000 ] - [ 0.0002112500000000, 0.0001246300000000, 0.0010560700000000 ] - [ -0.0007219000000000, 0.0002368200000000, -0.0001051900000000 ] - [ -0.0005075500000000, 0.0001277600000000, -0.0001865400000000 ] - [ -0.0001499300000000, -0.0001783600000000, 0.0002566800000000 ] - [ 0.0003312400000000, -0.0001503600000000, -0.0000199500000000 ] - [ -0.0024287100000000, 0.0001176200000000, 0.0006893100000000 ] - [ 0.0000279300000000, 0.0001233400000000, -0.0004404600000000 ] - [ 0.0001873100000000, -0.0001472300000000, -0.0000079600000000 ] - [ 0.0004769400000000, -0.0001702500000000, 0.0002524600000000 ] - [ -0.0004294100000000, 0.0000262200000000, 0.0005720400000000 ] - [ -0.0003850700000000, 0.0001076400000000, -0.0003064100000000 ] - [ -0.0000066900000000, -0.0002729900000000, 0.0001212000000000 ] - [ 0.0003739400000000, -0.0002819900000000, -0.0003779600000000 ] - [ -0.0002915900000000, 0.0002544600000000, 0.0005734000000000 ] - [ -0.0003187200000000, 0.0002446100000000, -0.0000614300000000 ] - [ -0.0000693900000000, -0.0000759700000000, 0.0003314900000000 ] - [ 0.0005333200000000, -0.0000428500000000, -0.0007350600000000 ] - [ -0.0010268800000000, 0.0001727000000000, 0.0011358900000000 ] - [ -0.0008248900000000, 0.0002479200000000, -0.0000036300000000 ] - [ 0.0004899200000000, -0.0000809200000000, 0.0003565800000000 ] - [ 0.0005780500000000, -0.0001126100000000, 0.0000311700000000 ] - [ 0.0197842400000000, -0.0028525800000000, 0.0436093400000000 ] - [ -0.0031116900000000, -0.0065506000000000, -0.0014231100000000 ] - [ 0.0028108300000000, -0.0001891700000000, -0.0037126600000000 ] - [ 0.0002330600000000, -0.0000800000000000, -0.0043736100000000 ] - [ -0.0589854400000000, -0.0023495700000000, 0.0452441600000000 ] - [ -0.0032196800000000, 0.0000848300000000, 0.0015169300000000 ] - [ 0.0015947000000000, -0.0000794800000000, -0.0010417500000000 ] - [ 0.0003062800000000, 0.0005119300000000, -0.0045710300000000 ] - [ -0.0057912900000000, 0.0034963800000000, 0.0065548400000000 ] - [ -0.0007869300000000, -0.0001427300000000, -0.0000578000000000 ] - [ 0.0012767600000000, -0.0000669300000000, -0.0001015600000000 ] - [ 0.0015356100000000, -0.0003601500000000, -0.0041269200000000 ] - [ -0.0017093200000000, -0.0000322400000000, 0.0017730300000000 ] - [ -0.0000641500000000, 0.0000194600000000, -0.0000442400000000 ] - [ 0.0008983600000000, -0.0000519900000000, 0.0002074000000000 ] - [ 0.0007597000000000, -0.0000921800000000, -0.0015454700000000 ] - [ -0.0004991900000000, -0.0000119300000000, 0.0003709800000000 ] - [ -0.0001243800000000, 0.0000092600000000, -0.0003039600000000 ] - [ 0.0003003800000000, 0.0000672000000000, 0.0005032600000000 ] - [ 0.0017557500000000, 0.0000602900000000, -0.0011929000000000 ] - [ -0.0005130600000000, -0.0001644100000000, -0.0069570100000000 ] - [ 0.0023769900000000, 0.0002446200000000, 0.0022724200000000 ] - [ -0.0005176400000000, 0.0000077500000000, -0.0017844000000000 ] - [ -0.0014332600000000, 0.0001055900000000, -0.0008041800000000 ] - [ 0.0036888700000000, -0.0007344500000000, 0.0006152700000000 ] - [ 0.0003815700000000, -0.0001034200000000, 0.0007527400000000 ] - [ 0.0002139900000000, 0.0000780500000000, -0.0007911300000000 ] - [ -0.0017565600000000, 0.0000259700000000, -0.0016166400000000 ] - [ 0.0008503200000000, -0.0000145000000000, 0.0009315300000000 ] - [ 0.0002663000000000, -0.0000143100000000, 0.0000820300000000 ] - [ -0.0001866300000000, 0.0000175300000000, -0.0001095900000000 ] - [ 0.0002055900000000, 0.0000063500000000, -0.0005773500000000 ]- atom: 9 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0071622800000000, 0.0014999300000000, 0.0063457700000000 ] - [ -0.0171037100000000, -0.0094755800000000, -0.0083477800000000 ] - [ 0.0012018600000000, 0.0004556700000000, -0.0031077600000000 ] - [ 0.0006590100000000, -0.0006780300000000, -0.0021341800000000 ] - [ 0.0176943200000000, 0.0020964800000000, 0.0055290200000000 ] - [ -0.0007951600000000, -0.0004450900000000, -0.0019152000000000 ] - [ 0.0026859700000000, 0.0003720800000000, -0.0021454300000000 ] - [ -0.0000814100000000, -0.0002060400000000, -0.0021676900000000 ] - [ -0.0430514100000000, -0.0053443100000000, 0.0808329800000000 ] - [ -0.0039617800000000, -0.0015848200000000, -0.0005949800000000 ] - [ 0.0019613200000000, 0.0001533100000000, -0.0006424200000000 ] - [ -0.0000944500000000, 0.0001444100000000, -0.0021576400000000 ] - [ 0.0208310800000000, -0.0024224500000000, -0.0052125600000000 ] - [ -0.0002961800000000, 0.0000262800000000, 0.0017551100000000 ] - [ 0.0002885400000000, -0.0002375700000000, -0.0008571200000000 ] - [ -0.0014121600000000, 0.0000097400000000, -0.0038013400000000 ] - [ -0.0001801000000000, 0.0029252300000000, 0.0103116200000000 ] - [ -0.0005463800000000, 0.0002226500000000, 0.0001131000000000 ] - [ 0.0006410000000000, -0.0000795600000000, -0.0005463200000000 ] - [ 0.0000957900000000, 0.0006637400000000, -0.0021599000000000 ] - [ -0.0025921300000000, 0.0006459600000000, 0.0009605000000000 ] - [ -0.0125432700000000, 0.0035833600000000, 0.0044535000000000 ] - [ 0.0004874900000000, 0.0003066400000000, -0.0003037500000000 ] - [ 0.0002162600000000, -0.0004679600000000, -0.0023249400000000 ] - [ -0.0047792500000000, -0.0006203800000000, -0.0002613300000000 ] - [ -0.0002521700000000, 0.0000390700000000, -0.0002990100000000 ] - [ 0.0016737900000000, 0.0000058800000000, -0.0000068300000000 ] - [ 0.0009757000000000, -0.0001343000000000, -0.0025322300000000 ] - [ 0.0003074000000000, -0.0000512500000000, 0.0016467900000000 ] - [ 0.0000110800000000, -0.0000280900000000, 0.0002706000000000 ] - [ 0.0000624600000000, 0.0000241100000000, 0.0000888900000000 ] - [ 0.0000709600000000, -0.0000893600000000, -0.0013552800000000 ] - [ 0.0009480800000000, 0.0001106700000000, -0.0000577500000000 ] - [ 0.0002850600000000, 0.0002203700000000, 0.0003493700000000 ] - [ -0.0000712100000000, -0.0001695800000000, -0.0000938800000000 ] - [ -0.0001063700000000, -0.0001976800000000, -0.0001468000000000 ] - [ 0.0018015800000000, 0.0001443300000000, -0.0002629000000000 ] - [ 0.0006045500000000, 0.0001391500000000, 0.0000131800000000 ] - [ 0.0004435400000000, -0.0001154000000000, -0.0004177400000000 ] - [ -0.0011021000000000, -0.0000928800000000, 0.0001671300000000 ] - [ 0.0004797900000000, 0.0004026800000000, -0.0005303500000000 ] - [ 0.0003370700000000, 0.0003224300000000, 0.0002641900000000 ] - [ -0.0000394600000000, -0.0001570300000000, -0.0001613600000000 ] - [ -0.0003274800000000, -0.0001490200000000, 0.0004142000000000 ] - [ 0.0004372900000000, -0.0000314700000000, -0.0009054400000000 ] - [ 0.0001753400000000, -0.0000231200000000, 0.0003917800000000 ] - [ -0.0000732200000000, -0.0001450600000000, 0.0000013500000000 ] - [ -0.0003918100000000, -0.0001784500000000, 0.0003973900000000 ] - [ 0.0005726500000000, 0.0001170700000000, -0.0014164900000000 ] - [ 0.0012856400000000, 0.0000414600000000, 0.0002834000000000 ] - [ -0.0000287200000000, -0.0002076300000000, -0.0000727300000000 ] - [ -0.0007207800000000, -0.0004776200000000, -0.0000649000000000 ] - [ -0.0192325400000000, 0.0029959600000000, -0.0427669700000000 ] - [ 0.0030805600000000, 0.0067174400000000, 0.0011840600000000 ] - [ -0.0028143900000000, 0.0000253700000000, 0.0035384500000000 ] - [ -0.0001886900000000, -0.0000735800000000, 0.0045139400000000 ] - [ 0.0597307300000000, 0.0024681400000000, -0.0446426700000000 ] - [ 0.0030811500000000, -0.0000233400000000, -0.0014554300000000 ] - [ -0.0017061700000000, 0.0000197800000000, 0.0011085500000000 ] - [ -0.0001811800000000, -0.0005678400000000, 0.0044819600000000 ] - [ 0.0061926500000000, -0.0034717400000000, -0.0070812700000000 ] - [ 0.0003403500000000, 0.0002044300000000, 0.0006621800000000 ] - [ -0.0017251000000000, 0.0000023300000000, 0.0007235100000000 ] - [ -0.0010926700000000, 0.0002946200000000, 0.0035008800000000 ] - [ 0.0015535100000000, 0.0000510300000000, -0.0018980100000000 ] - [ 0.0002272100000000, -0.0000012000000000, 0.0001669800000000 ] - [ -0.0007330500000000, 0.0000337000000000, -0.0000805400000000 ] - [ -0.0009322800000000, 0.0000733900000000, 0.0014157500000000 ] - [ 0.0009080000000000, -0.0000112600000000, -0.0004379500000000 ] - [ -0.0002893000000000, -0.0000324500000000, 0.0003754000000000 ] - [ -0.0007129800000000, -0.0000436800000000, -0.0004289900000000 ] - [ -0.0013482900000000, -0.0000362600000000, 0.0011132000000000 ] - [ 0.0005778600000000, 0.0001380300000000, 0.0062067500000000 ] - [ -0.0024398800000000, -0.0002766200000000, -0.0014887900000000 ] - [ 0.0004697400000000, 0.0000235600000000, 0.0025319700000000 ] - [ 0.0014041000000000, -0.0001130200000000, 0.0004815300000000 ] - [ -0.0036208100000000, 0.0005588000000000, -0.0003142600000000 ] - [ -0.0004519900000000, -0.0000746300000000, -0.0010697400000000 ] - [ -0.0002787800000000, 0.0000996900000000, 0.0004722400000000 ] - [ 0.0018047500000000, 0.0001510400000000, 0.0019351500000000 ] - [ -0.0003942900000000, -0.0000035600000000, -0.0008689000000000 ] - [ -0.0007256100000000, -0.0000037700000000, -0.0001509200000000 ] - [ -0.0002705500000000, 0.0000007700000000, 0.0000429900000000 ] - [ 0.0002462600000000, 0.0000119200000000, 0.0006431200000000 ]- atom: 13 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0022749400000000, -0.0009312400000000, 0.0007864700000000 ] - [ 0.0024781100000000, 0.0011611000000000, 0.0010169800000000 ] - [ -0.0003094800000000, 0.0000150900000000, -0.0000728100000000 ] - [ -0.0000915100000000, 0.0001247100000000, 0.0003095700000000 ] - [ 0.0034806300000000, 0.0006742800000000, -0.0015971100000000 ] - [ 0.0013268600000000, 0.0001255000000000, 0.0015825500000000 ] - [ 0.0000961300000000, -0.0000274100000000, -0.0008419800000000 ] - [ 0.0002462800000000, 0.0000501600000000, 0.0019626500000000 ] - [ 0.0138763400000000, -0.0042682300000000, -0.0186572400000000 ] - [ 0.0034717100000000, 0.0000416800000000, 0.0008347500000000 ] - [ 0.0010393700000000, 0.0001963800000000, -0.0001321000000000 ] - [ -0.0030351700000000, 0.0003744600000000, 0.0009667400000000 ] - [ -0.0832981900000000, 0.0338939100000000, 0.0907042000000000 ] - [ 0.0015493900000000, 0.0002680900000000, 0.0001424000000000 ] - [ 0.0008938900000000, -0.0002114900000000, 0.0004684700000000 ] - [ -0.0016888200000000, -0.0002398400000000, -0.0010140600000000 ] - [ -0.0105300400000000, 0.0011024700000000, 0.0012039100000000 ] - [ 0.0012432900000000, -0.0003450500000000, 0.0002088100000000 ] - [ 0.0007932500000000, 0.0001080000000000, -0.0000743800000000 ] - [ -0.0014987400000000, 0.0006611400000000, -0.0009692000000000 ] - [ -0.0032576700000000, 0.0000491900000000, 0.0003913200000000 ] - [ -0.0080770400000000, -0.0014175900000000, 0.0047535800000000 ] - [ 0.0007101200000000, 0.0001482600000000, 0.0001041700000000 ] - [ -0.0017673400000000, -0.0004550800000000, -0.0013011800000000 ] - [ -0.0029654100000000, -0.0006313800000000, 0.0002088600000000 ] - [ 0.0013048500000000, 0.0000630900000000, 0.0004500300000000 ] - [ 0.0016831200000000, -0.0000502400000000, -0.0001341600000000 ] - [ -0.0055561700000000, -0.0001271700000000, -0.0017676900000000 ] - [ 0.0013850600000000, -0.0001759000000000, 0.0038961300000000 ] - [ 0.0013702700000000, -0.0001254400000000, 0.0001763300000000 ] - [ 0.0008625400000000, 0.0000415600000000, 0.0005848700000000 ] - [ 0.0000456600000000, -0.0002204500000000, -0.0018100300000000 ] - [ 0.0034106300000000, -0.0000284700000000, -0.0003733900000000 ] - [ 0.0019266100000000, 0.0003608100000000, 0.0006188900000000 ] - [ 0.0009409000000000, -0.0002703300000000, 0.0001596100000000 ] - [ 0.0007311400000000, -0.0001171500000000, 0.0003165000000000 ] - [ 0.0074165300000000, -0.0001088800000000, -0.0025801800000000 ] - [ 0.0020755300000000, 0.0001083200000000, -0.0000899600000000 ] - [ 0.0015202900000000, -0.0001053100000000, -0.0002025100000000 ] - [ -0.0009728400000000, -0.0000649200000000, 0.0006484500000000 ] - [ 0.0011643700000000, 0.0009886100000000, -0.0016994200000000 ] - [ 0.0013675300000000, 0.0004590000000000, 0.0007896000000000 ] - [ 0.0009499100000000, -0.0003144900000000, 0.0001658300000000 ] - [ 0.0001202900000000, 0.0001279600000000, 0.0015275900000000 ] - [ 0.0007778300000000, -0.0005019100000000, -0.0023893700000000 ] - [ 0.0008116000000000, -0.0002711900000000, 0.0007367800000000 ] - [ 0.0007912300000000, 0.0001545100000000, 0.0000816400000000 ] - [ -0.0000961500000000, -0.0005773600000000, 0.0016183800000000 ] - [ -0.0022176700000000, -0.0002087500000000, -0.0034362700000000 ] - [ 0.0024291100000000, -0.0000411900000000, 0.0002901300000000 ] - [ 0.0024452800000000, 0.0000907200000000, 0.0003173800000000 ] - [ 0.0010568800000000, 0.0001058500000000, 0.0005425300000000 ] - [ -0.0115444100000000, 0.0007389800000000, -0.0015778000000000 ] - [ -0.0039949300000000, -0.0013694400000000, -0.0026496100000000 ] - [ -0.0006414800000000, -0.0001005800000000, 0.0000239600000000 ] - [ 0.0019290400000000, -0.0003983700000000, -0.0007869200000000 ] - [ 0.0745032700000000, -0.0232707200000000, -0.0801693100000000 ] - [ -0.0034554700000000, 0.0002542200000000, -0.0002018900000000 ] - [ -0.0014360700000000, -0.0001910400000000, -0.0001122900000000 ] - [ 0.0038785300000000, -0.0003752000000000, 0.0012383000000000 ] - [ 0.0041896400000000, 0.0014179300000000, -0.0009173400000000 ] - [ -0.0026381200000000, -0.0002909500000000, -0.0005968600000000 ] - [ -0.0026226400000000, 0.0001461800000000, 0.0002554700000000 ] - [ 0.0051944300000000, 0.0004498300000000, 0.0026874700000000 ] - [ 0.0018840300000000, 0.0001962800000000, -0.0047307700000000 ] - [ -0.0023227900000000, -0.0001651200000000, 0.0002748600000000 ] - [ -0.0022423400000000, 0.0001168400000000, -0.0006304100000000 ] - [ -0.0001901400000000, 0.0003695900000000, 0.0029373400000000 ] - [ 0.0001971300000000, -0.0000438300000000, -0.0018735000000000 ] - [ -0.0018272400000000, 0.0000667500000000, -0.0000011400000000 ] - [ -0.0027583000000000, -0.0001133700000000, -0.0008359200000000 ] - [ -0.0051101200000000, -0.0003514400000000, 0.0043282400000000 ] - [ 0.0092620000000000, -0.0000881700000000, 0.0006870700000000 ] - [ -0.0024426700000000, -0.0000384500000000, 0.0013989700000000 ] - [ -0.0015767300000000, 0.0000111300000000, -0.0009478200000000 ] - [ 0.0023970700000000, -0.0002689800000000, 0.0031294700000000 ] - [ 0.0070298200000000, -0.0065331200000000, 0.0016190800000000 ] - [ -0.0024280900000000, -0.0001227200000000, -0.0003668900000000 ] - [ -0.0017625500000000, 0.0001078100000000, -0.0005684500000000 ] - [ 0.0019632100000000, 0.0001596300000000, 0.0006737200000000 ] - [ -0.0030630800000000, -0.0000115800000000, -0.0020364600000000 ] - [ -0.0028280600000000, 0.0000523000000000, 0.0000246100000000 ] - [ -0.0015097500000000, -0.0000214900000000, -0.0004411000000000 ] - [ -0.0007384400000000, 0.0000087000000000, 0.0007428900000000 ]- atom: 13 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0019613300000000, 0.0009014200000000, -0.0005310200000000 ] - [ -0.0028043400000000, -0.0011900900000000, -0.0012584600000000 ] - [ -0.0000034200000000, 0.0000149400000000, -0.0001832600000000 ] - [ 0.0004076400000000, -0.0000973700000000, -0.0000646300000000 ] - [ -0.0038593700000000, -0.0005622100000000, 0.0020836500000000 ] - [ -0.0009573800000000, -0.0000109400000000, -0.0020619900000000 ] - [ 0.0002858800000000, -0.0000862400000000, 0.0003618500000000 ] - [ -0.0006220300000000, -0.0001652200000000, -0.0014923200000000 ] - [ -0.0140450000000000, 0.0039849100000000, 0.0188568300000000 ] - [ -0.0034696900000000, -0.0003723000000000, -0.0007402200000000 ] - [ -0.0010269400000000, 0.0001332900000000, 0.0002267600000000 ] - [ 0.0030341000000000, -0.0000459200000000, -0.0010745000000000 ] - [ 0.0826072000000000, -0.0335831200000000, -0.0914757400000000 ] - [ -0.0016356800000000, -0.0000112100000000, 0.0001648800000000 ] - [ -0.0009791200000000, -0.0000451100000000, -0.0001640700000000 ] - [ 0.0017786100000000, -0.0000158000000000, 0.0006953200000000 ] - [ 0.0103913600000000, -0.0009535600000000, -0.0010916100000000 ] - [ -0.0010919300000000, 0.0005773800000000, -0.0004776200000000 ] - [ -0.0006401600000000, -0.0003401700000000, -0.0001935800000000 ] - [ 0.0013446700000000, -0.0008926800000000, 0.0012301500000000 ] - [ 0.0027482200000000, -0.0003291100000000, -0.0006961600000000 ] - [ 0.0082337900000000, 0.0008504800000000, -0.0048425900000000 ] - [ -0.0008546900000000, 0.0004449400000000, -0.0001398500000000 ] - [ 0.0019099300000000, 0.0010477800000000, 0.0013305000000000 ] - [ 0.0028420000000000, 0.0007199100000000, -0.0005303000000000 ] - [ -0.0011591300000000, 0.0000145000000000, -0.0001683400000000 ] - [ -0.0015359600000000, -0.0000271700000000, 0.0004176600000000 ] - [ 0.0053997200000000, 0.0000494900000000, 0.0015007500000000 ] - [ -0.0011168800000000, 0.0001391700000000, -0.0041728100000000 ] - [ -0.0016474800000000, 0.0000901100000000, 0.0001243600000000 ] - [ -0.0011426000000000, -0.0000062300000000, -0.0002825100000000 ] - [ 0.0002291100000000, 0.0002545300000000, 0.0014959000000000 ] - [ -0.0031773500000000, 0.0003760600000000, 0.0002097300000000 ] - [ -0.0021483100000000, -0.0000120400000000, -0.0004520200000000 ] - [ -0.0011641500000000, -0.0000778000000000, 0.0000023000000000 ] - [ -0.0005170800000000, -0.0002324300000000, -0.0004843000000000 ] - [ -0.0080039800000000, 0.0003663200000000, 0.0029939600000000 ] - [ -0.0014446700000000, 0.0001542300000000, -0.0003353500000000 ] - [ -0.0008906800000000, -0.0001569500000000, -0.0002251600000000 ] - [ 0.0003322000000000, -0.0001977500000000, -0.0002286800000000 ] - [ -0.0011126200000000, -0.0005553800000000, 0.0017321000000000 ] - [ -0.0014166900000000, -0.0000287600000000, -0.0008292700000000 ] - [ -0.0009994700000000, -0.0001139800000000, -0.0002091600000000 ] - [ -0.0000851000000000, -0.0005590600000000, -0.0014857600000000 ] - [ -0.0006315200000000, 0.0007203800000000, 0.0020454300000000 ] - [ -0.0009565300000000, 0.0004921400000000, -0.0004033200000000 ] - [ -0.0009357500000000, -0.0003763100000000, 0.0002480700000000 ] - [ 0.0002269800000000, 0.0003575100000000, -0.0019464300000000 ] - [ 0.0017537200000000, 0.0004974900000000, 0.0031402600000000 ] - [ -0.0019711800000000, 0.0003299800000000, -0.0000039500000000 ] - [ -0.0019878000000000, -0.0003792800000000, -0.0000333200000000 ] - [ -0.0012034000000000, -0.0006993500000000, -0.0005792600000000 ] - [ 0.0115920300000000, -0.0005836400000000, 0.0017293500000000 ] - [ 0.0039710900000000, 0.0015341700000000, 0.0024821600000000 ] - [ 0.0005999800000000, -0.0000565800000000, -0.0001817500000000 ] - [ -0.0018988000000000, 0.0002423500000000, 0.0009640700000000 ] - [ -0.0736102000000000, 0.0235408400000000, 0.0808155400000000 ] - [ 0.0033363700000000, -0.0001940500000000, 0.0002663100000000 ] - [ 0.0013092400000000, 0.0001311500000000, 0.0001778000000000 ] - [ -0.0037667700000000, 0.0003157800000000, -0.0012860500000000 ] - [ -0.0037282100000000, -0.0014070000000000, 0.0004161300000000 ] - [ 0.0021942000000000, 0.0003534800000000, 0.0012107700000000 ] - [ 0.0021771100000000, -0.0002084400000000, 0.0003562400000000 ] - [ -0.0047320000000000, -0.0005153700000000, -0.0032878100000000 ] - [ -0.0020009300000000, -0.0001784900000000, 0.0045814200000000 ] - [ 0.0024899800000000, 0.0001837500000000, -0.0001469800000000 ] - [ 0.0024101500000000, -0.0001355000000000, 0.0007536200000000 ] - [ 0.0000199200000000, -0.0003858000000000, -0.0030447500000000 ] - [ 0.0002309200000000, 0.0000221900000000, 0.0018043000000000 ] - [ 0.0014132700000000, -0.0000902400000000, 0.0000801100000000 ] - [ 0.0023428500000000, 0.0001367900000000, 0.0009080600000000 ] - [ 0.0055069800000000, 0.0003734200000000, -0.0043877900000000 ] - [ -0.0093293300000000, 0.0000609600000000, -0.0016841900000000 ] - [ 0.0023868200000000, 0.0000069000000000, -0.0006434900000000 ] - [ 0.0015249000000000, 0.0000204700000000, 0.0017122400000000 ] - [ -0.0023756600000000, 0.0003024900000000, -0.0038870100000000 ] - [ -0.0066920600000000, 0.0061306200000000, -0.0013869400000000 ] - [ 0.0023629200000000, -0.0000552900000000, 0.0000494400000000 ] - [ 0.0016982300000000, 0.0000704400000000, 0.0002539600000000 ] - [ -0.0018931300000000, 0.0000179600000000, -0.0003315600000000 ] - [ 0.0035146100000000, -0.0000055200000000, 0.0020860000000000 ] - [ 0.0023657000000000, -0.0000701100000000, -0.0000905500000000 ] - [ 0.0010572800000000, 0.0000395100000000, 0.0003765500000000 ] - [ 0.0011968700000000, 0.0000093000000000, -0.0006680800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001059600000000, 0.0002596700000000, -0.0001878100000000 ] - [ 0.0000212700000000, -0.0004495300000000, -0.0007609500000000 ] - [ -0.0002249000000000, -0.0000498500000000, 0.0000988500000000 ] - [ 0.0001369500000000, 0.0000804900000000, 0.0003111100000000 ] - [ -0.0009255900000000, 0.0001104200000000, 0.0002078500000000 ] - [ 0.0003369900000000, 0.0004000400000000, -0.0004800800000000 ] - [ -0.0000639600000000, -0.0000842700000000, -0.0000330300000000 ] - [ -0.0001061500000000, 0.0000397000000000, 0.0004053300000000 ] - [ -0.0020300000000000, -0.0057510700000000, 0.0021530000000000 ] - [ -0.0001528700000000, -0.0001675500000000, -0.0000776200000000 ] - [ -0.0002058100000000, 0.0001566400000000, 0.0001248100000000 ] - [ 0.0001699400000000, 0.0002163500000000, 0.0001187300000000 ] - [ 0.0336063100000000, -0.0699126600000000, -0.0868746300000000 ] - [ -0.0001782600000000, 0.0001237900000000, 0.0000726600000000 ] - [ -0.0001229100000000, -0.0001153500000000, 0.0001968700000000 ] - [ 0.0001500600000000, -0.0001433400000000, 0.0002958400000000 ] - [ -0.0000396900000000, 0.0233131600000000, 0.0242334100000000 ] - [ 0.0000042100000000, 0.0001554200000000, -0.0001852400000000 ] - [ -0.0000071300000000, -0.0001348400000000, -0.0001114200000000 ] - [ 0.0001020000000000, -0.0002711400000000, 0.0004385600000000 ] - [ 0.0017379100000000, 0.0003068200000000, 0.0012037800000000 ] - [ 0.0006649600000000, -0.0004044600000000, -0.0077326800000000 ] - [ -0.0001620000000000, 0.0003070200000000, -0.0000085400000000 ] - [ 0.0001582900000000, 0.0005356200000000, 0.0004825700000000 ] - [ -0.0003773600000000, 0.0008454000000000, 0.0019482700000000 ] - [ 0.0000177000000000, 0.0000362600000000, 0.0001230800000000 ] - [ -0.0001304300000000, -0.0000370600000000, 0.0001673200000000 ] - [ 0.0004110100000000, 0.0020250700000000, -0.0001426200000000 ] - [ 0.0002741900000000, 0.0002625300000000, -0.0013953100000000 ] - [ -0.0002978800000000, -0.0000042300000000, 0.0001528800000000 ] - [ -0.0001995900000000, 0.0000202900000000, 0.0001079600000000 ] - [ 0.0001271900000000, 0.0000680500000000, 0.0003311400000000 ] - [ -0.0003320300000000, 0.0001556900000000, -0.0001217900000000 ] - [ -0.0002957300000000, 0.0001568800000000, -0.0000308600000000 ] - [ -0.0001947800000000, -0.0001686800000000, 0.0001324400000000 ] - [ 0.0001698300000000, -0.0001581400000000, -0.0000106600000000 ] - [ -0.0010697400000000, 0.0014139100000000, 0.0003203200000000 ] - [ 0.0001515200000000, 0.0001308100000000, -0.0002615100000000 ] - [ 0.0002203300000000, -0.0001357700000000, -0.0001737300000000 ] - [ -0.0001515400000000, -0.0001278000000000, 0.0002996000000000 ] - [ -0.0001975900000000, 0.0002022600000000, 0.0002584300000000 ] - [ -0.0001538200000000, 0.0001811000000000, -0.0001273200000000 ] - [ -0.0000999800000000, -0.0002188400000000, -0.0000006600000000 ] - [ 0.0003446900000000, -0.0001683600000000, -0.0001113300000000 ] - [ -0.0001024500000000, 0.0001647500000000, 0.0002075100000000 ] - [ -0.0001478600000000, 0.0001531300000000, 0.0000767900000000 ] - [ -0.0001477400000000, -0.0001255400000000, 0.0002136700000000 ] - [ 0.0003195100000000, -0.0001566700000000, -0.0003675700000000 ] - [ -0.0001025800000000, 0.0001871300000000, 0.0007168400000000 ] - [ 0.0000124700000000, 0.0001632000000000, 0.0001136700000000 ] - [ 0.0000608700000000, -0.0001625300000000, 0.0001428400000000 ] - [ -0.0001445200000000, -0.0003301300000000, -0.0000803900000000 ] - [ 0.0020423000000000, 0.0001095900000000, 0.0012251500000000 ] - [ -0.0002793900000000, -0.0002573000000000, 0.0004353400000000 ] - [ 0.0002361800000000, -0.0000469200000000, -0.0004227500000000 ] - [ -0.0000720200000000, -0.0000950500000000, -0.0002488600000000 ] - [ -0.0244477600000000, 0.0514429000000000, 0.0670862500000000 ] - [ 0.0001230900000000, 0.0000010100000000, 0.0001347300000000 ] - [ 0.0001340500000000, -0.0000210400000000, -0.0000306300000000 ] - [ -0.0001376400000000, -0.0000340000000000, -0.0007120100000000 ] - [ -0.0015410100000000, -0.0066654600000000, -0.0053187100000000 ] - [ -0.0000627600000000, 0.0000564500000000, 0.0003921600000000 ] - [ 0.0000384400000000, -0.0000484300000000, 0.0002854800000000 ] - [ -0.0005289400000000, 0.0000262400000000, -0.0008898000000000 ] - [ -0.0017197400000000, -0.0000570600000000, 0.0007764400000000 ] - [ 0.0002853300000000, 0.0000246200000000, 0.0000043300000000 ] - [ 0.0002908800000000, -0.0000205400000000, 0.0001615800000000 ] - [ 0.0002832300000000, -0.0000397500000000, -0.0007923200000000 ] - [ 0.0000108800000000, -0.0000692000000000, -0.0000502000000000 ] - [ -0.0000776600000000, -0.0000117200000000, -0.0000300300000000 ] - [ 0.0000282200000000, 0.0000306100000000, 0.0001830700000000 ] - [ 0.0011201900000000, 0.0001791400000000, -0.0005882600000000 ] - [ -0.0003512400000000, 0.0027085000000000, -0.0001012400000000 ] - [ 0.0003227900000000, -0.0000097500000000, 0.0003707500000000 ] - [ -0.0000089000000000, 0.0000272700000000, 0.0003848700000000 ] - [ 0.0001449600000000, 0.0000393300000000, -0.0009625300000000 ] - [ -0.0072830600000000, -0.0002954300000000, 0.0028351600000000 ] - [ 0.0001983000000000, -0.0000861600000000, -0.0000848300000000 ] - [ 0.0000954500000000, 0.0000867500000000, -0.0001739900000000 ] - [ -0.0002776800000000, 0.0001132300000000, -0.0004957900000000 ] - [ 0.0004990900000000, 0.0000163200000000, 0.0005289800000000 ] - [ 0.0001056500000000, -0.0000163500000000, -0.0000057500000000 ] - [ -0.0002205000000000, 0.0000127400000000, -0.0000422500000000 ] - [ 0.0003219100000000, 0.0000056700000000, -0.0002347000000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004291000000000, -0.0002997600000000, 0.0004530300000000 ] - [ -0.0003273000000000, 0.0004331400000000, 0.0005285400000000 ] - [ -0.0000894100000000, 0.0000790700000000, -0.0003543700000000 ] - [ 0.0001767000000000, -0.0000530600000000, -0.0000641500000000 ] - [ 0.0005771900000000, 0.0000083200000000, 0.0002676900000000 ] - [ 0.0000262400000000, -0.0002843700000000, 0.0000056700000000 ] - [ 0.0004420700000000, -0.0000290500000000, -0.0004515300000000 ] - [ -0.0002671500000000, -0.0001539400000000, 0.0000775600000000 ] - [ 0.0021263900000000, 0.0053662600000000, -0.0023188000000000 ] - [ 0.0001693100000000, -0.0001608700000000, 0.0001781400000000 ] - [ 0.0002203700000000, 0.0001732500000000, -0.0000319000000000 ] - [ -0.0001928700000000, 0.0001147000000000, -0.0002144700000000 ] - [ -0.0338953900000000, 0.0711635700000000, 0.0863751900000000 ] - [ 0.0000992300000000, 0.0001339600000000, 0.0002347300000000 ] - [ 0.0000416000000000, -0.0001420100000000, 0.0001084900000000 ] - [ -0.0000720600000000, -0.0001129700000000, -0.0006151600000000 ] - [ -0.0001226400000000, -0.0229177100000000, -0.0235868400000000 ] - [ 0.0001522800000000, 0.0000749300000000, -0.0000807600000000 ] - [ 0.0001631800000000, -0.0000970800000000, -0.0001563400000000 ] - [ -0.0002586800000000, 0.0000452800000000, -0.0001880000000000 ] - [ -0.0022128800000000, -0.0005826200000000, -0.0014753400000000 ] - [ -0.0005085800000000, -0.0001135800000000, 0.0076632700000000 ] - [ 0.0000205800000000, 0.0002856500000000, -0.0000278200000000 ] - [ -0.0000195100000000, 0.0000491500000000, -0.0004591200000000 ] - [ 0.0002184700000000, -0.0007492800000000, -0.0022252000000000 ] - [ 0.0001345500000000, 0.0000408600000000, 0.0001592800000000 ] - [ 0.0002869600000000, -0.0000399000000000, 0.0001127100000000 ] - [ -0.0005767700000000, -0.0021065400000000, -0.0001782200000000 ] - [ 0.0000094100000000, -0.0002982800000000, 0.0011284800000000 ] - [ 0.0000253100000000, -0.0000316500000000, 0.0001470900000000 ] - [ -0.0000757100000000, 0.0000154600000000, 0.0001932200000000 ] - [ 0.0001528200000000, -0.0000339500000000, -0.0006434300000000 ] - [ 0.0005668800000000, 0.0001916700000000, -0.0000411900000000 ] - [ 0.0000825800000000, 0.0001924300000000, 0.0001985800000000 ] - [ -0.0000220800000000, -0.0001800000000000, 0.0000315200000000 ] - [ 0.0000513800000000, -0.0001903700000000, -0.0001542700000000 ] - [ 0.0004675000000000, -0.0011533900000000, 0.0001012700000000 ] - [ 0.0004830200000000, 0.0001315100000000, -0.0001618500000000 ] - [ 0.0004118400000000, -0.0001265300000000, -0.0002507500000000 ] - [ -0.0004817600000000, -0.0001343300000000, 0.0001226600000000 ] - [ 0.0002546100000000, 0.0002281900000000, -0.0002254300000000 ] - [ 0.0001101300000000, 0.0002498900000000, 0.0000900300000000 ] - [ 0.0000556400000000, -0.0002106500000000, -0.0000396000000000 ] - [ -0.0002991800000000, -0.0002596600000000, 0.0001584300000000 ] - [ 0.0002517800000000, 0.0000564000000000, -0.0005490300000000 ] - [ 0.0000068800000000, 0.0000669900000000, 0.0002579900000000 ] - [ 0.0000069100000000, -0.0000955500000000, 0.0001182400000000 ] - [ -0.0001816800000000, -0.0000683200000000, 0.0000407000000000 ] - [ -0.0003557200000000, 0.0001006200000000, -0.0010257200000000 ] - [ 0.0004546300000000, 0.0001252500000000, 0.0001701400000000 ] - [ 0.0004054400000000, -0.0001256800000000, 0.0001405600000000 ] - [ 0.0000028700000000, -0.0002611700000000, 0.0000465000000000 ] - [ -0.0020900700000000, 0.0000532400000000, -0.0011009500000000 ] - [ 0.0002490100000000, 0.0004043100000000, -0.0006246900000000 ] - [ -0.0002760900000000, -0.0001100200000000, 0.0002646500000000 ] - [ 0.0001154300000000, -0.0000631600000000, 0.0004193100000000 ] - [ 0.0245647300000000, -0.0522409400000000, -0.0670910800000000 ] - [ -0.0002580400000000, 0.0000599400000000, -0.0000711100000000 ] - [ -0.0002659800000000, -0.0000393200000000, 0.0000975700000000 ] - [ 0.0002777100000000, -0.0000308400000000, 0.0006664300000000 ] - [ 0.0020060000000000, 0.0066182100000000, 0.0046985900000000 ] - [ -0.0003896900000000, 0.0000048900000000, 0.0002170100000000 ] - [ -0.0004931300000000, -0.0000138100000000, 0.0003281900000000 ] - [ 0.0009845600000000, -0.0000806600000000, 0.0003066300000000 ] - [ 0.0015730700000000, 0.0000809300000000, -0.0009266100000000 ] - [ -0.0001277400000000, -0.0000061400000000, 0.0001233500000000 ] - [ -0.0001328600000000, 0.0000019700000000, -0.0000373300000000 ] - [ -0.0004640900000000, 0.0000202500000000, 0.0006870800000000 ] - [ 0.0004055300000000, 0.0000448500000000, -0.0000244900000000 ] - [ -0.0003413300000000, -0.0000109300000000, 0.0001039200000000 ] - [ -0.0004501500000000, -0.0000083100000000, -0.0001145300000000 ] - [ -0.0007380700000000, -0.0001539900000000, 0.0005308000000000 ] - [ 0.0004411100000000, -0.0027412700000000, -0.0006529900000000 ] - [ -0.0003903400000000, -0.0000220500000000, 0.0003916700000000 ] - [ -0.0000483700000000, 0.0000040600000000, 0.0003733400000000 ] - [ -0.0000948700000000, -0.0000089300000000, 0.0002309600000000 ] - [ 0.0076469100000000, -0.0001219500000000, -0.0025830900000000 ] - [ -0.0002728600000000, -0.0000916900000000, -0.0002334400000000 ] - [ -0.0001668500000000, 0.0000910200000000, -0.0001428400000000 ] - [ 0.0003508900000000, 0.0000650500000000, 0.0008271300000000 ] - [ -0.0000530600000000, -0.0000354700000000, -0.0004769000000000 ] - [ -0.0005752600000000, -0.0000017000000000, -0.0000604000000000 ] - [ -0.0002398800000000, 0.0000054400000000, -0.0000239100000000 ] - [ 0.0001292900000000, 0.0000127600000000, 0.0003073100000000 ]- atom: 13 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ -0.0017246700000000, 0.0022635500000000, -0.0042702100000000 ] - [ -0.0003572400000000, -0.0020427200000000, -0.0062038100000000 ] - [ -0.0006907800000000, -0.0008627200000000, 0.0028857300000000 ] - [ 0.0002017100000000, 0.0010199400000000, 0.0025621000000000 ] - [ -0.0044293400000000, -0.0004321400000000, -0.0002329200000000 ] - [ 0.0043863400000000, -0.0005834400000000, -0.0035246800000000 ] - [ -0.0017846000000000, -0.0003863200000000, 0.0019041900000000 ] - [ 0.0019151900000000, 0.0000769700000000, 0.0038858100000000 ] - [ -0.0214083700000000, 0.0033324800000000, 0.0048662000000000 ] - [ 0.0007373600000000, -0.0003181900000000, -0.0014798800000000 ] - [ -0.0005751700000000, 0.0000877400000000, 0.0010208600000000 ] - [ 0.0000576300000000, 0.0002970400000000, 0.0033931100000000 ] - [ 0.1060791400000000, -0.0936124700000000, -0.3578507000000000 ] - [ -0.0002936300000000, 0.0001868500000000, -0.0006253500000000 ] - [ 0.0001282500000000, -0.0000713600000000, 0.0009181500000000 ] - [ -0.0005421500000000, -0.0005612500000000, 0.0045717700000000 ] - [ 0.0004869900000000, 0.0128741600000000, 0.0113087800000000 ] - [ 0.0001579800000000, 0.0002262400000000, -0.0006118200000000 ] - [ -0.0000596300000000, -0.0000144500000000, 0.0003395300000000 ] - [ -0.0013500800000000, -0.0011062300000000, 0.0043572500000000 ] - [ 0.0066866300000000, -0.0018440600000000, 0.0029082400000000 ] - [ -0.0007504400000000, -0.0067369500000000, 0.0238167600000000 ] - [ -0.0002393100000000, 0.0001731700000000, 0.0004200000000000 ] - [ -0.0009557800000000, 0.0014185200000000, 0.0042246000000000 ] - [ -0.0022799700000000, -0.0020729100000000, 0.0057844200000000 ] - [ 0.0007951800000000, 0.0000263700000000, -0.0001104600000000 ] - [ -0.0007910900000000, -0.0000544900000000, 0.0004328100000000 ] - [ -0.0023202200000000, -0.0003258200000000, 0.0056952100000000 ] - [ 0.0017938200000000, 0.0001859400000000, -0.0040560200000000 ] - [ -0.0004452100000000, 0.0000115400000000, 0.0000764400000000 ] - [ 0.0000378900000000, 0.0000406700000000, 0.0002212200000000 ] - [ -0.0004530900000000, 0.0002404100000000, 0.0022314900000000 ] - [ -0.0015739900000000, 0.0003473600000000, -0.0006533800000000 ] - [ -0.0000575500000000, 0.0001653400000000, -0.0004285900000000 ] - [ -0.0001912300000000, -0.0001835700000000, 0.0005221200000000 ] - [ 0.0009772300000000, -0.0000491800000000, 0.0008337400000000 ] - [ -0.0047135100000000, 0.0002580300000000, -0.0002087000000000 ] - [ 0.0001696900000000, 0.0001230500000000, -0.0005116600000000 ] - [ 0.0003730700000000, -0.0001442500000000, 0.0000741400000000 ] - [ 0.0005054800000000, -0.0000653400000000, 0.0017820800000000 ] - [ -0.0012727300000000, 0.0001205900000000, 0.0005391900000000 ] - [ -0.0001121600000000, 0.0001392100000000, -0.0002427300000000 ] - [ -0.0000223700000000, -0.0002870300000000, 0.0001784700000000 ] - [ 0.0017272200000000, 0.0002152700000000, 0.0004265200000000 ] - [ -0.0011021700000000, 0.0000658700000000, 0.0007806300000000 ] - [ -0.0000840900000000, 0.0001710900000000, -0.0000578400000000 ] - [ -0.0001185300000000, -0.0000677000000000, 0.0003888200000000 ] - [ 0.0020739700000000, -0.0005753200000000, -0.0000778800000000 ] - [ -0.0038670600000000, -0.0000875100000000, 0.0012430500000000 ] - [ -0.0001124600000000, 0.0001647700000000, 0.0001432900000000 ] - [ 0.0003945900000000, -0.0001385900000000, 0.0001410300000000 ] - [ 0.0000190800000000, -0.0004360900000000, -0.0004658600000000 ] - [ 0.0137956100000000, -0.0000942400000000, 0.0101505700000000 ] - [ -0.0027064300000000, 0.0008300600000000, 0.0078953400000000 ] - [ 0.0012956600000000, 0.0003327200000000, -0.0042537000000000 ] - [ -0.0007023300000000, -0.0006312200000000, -0.0050406900000000 ] - [ -0.0901229200000000, 0.0749262100000000, 0.3014104000000000 ] - [ -0.0002171000000000, -0.0000631900000000, 0.0010585200000000 ] - [ 0.0002554400000000, -0.0001002300000000, -0.0009773700000000 ] - [ 0.0011194500000000, 0.0002551000000000, -0.0071984000000000 ] - [ -0.0031529000000000, 0.0111966100000000, -0.0136007300000000 ] - [ -0.0007082100000000, 0.0000816700000000, 0.0010124700000000 ] - [ 0.0004384600000000, 0.0000049000000000, -0.0003866300000000 ] - [ 0.0059420900000000, 0.0000816800000000, -0.0076356900000000 ] - [ -0.0076871100000000, -0.0000904600000000, 0.0020541900000000 ] - [ 0.0001355200000000, 0.0000195800000000, -0.0001060300000000 ] - [ 0.0002101000000000, -0.0000027400000000, 0.0002074200000000 ] - [ 0.0033478100000000, -0.0000405900000000, -0.0026337000000000 ] - [ -0.0015784100000000, -0.0001606500000000, -0.0018822400000000 ] - [ -0.0001901300000000, 0.0000269800000000, -0.0003908900000000 ] - [ -0.0001142800000000, 0.0000478000000000, 0.0004765300000000 ] - [ 0.0033730100000000, -0.0000124300000000, -0.0012055600000000 ] - [ -0.0022402100000000, 0.0000817900000000, 0.0056641200000000 ] - [ 0.0019306600000000, 0.0000434400000000, 0.0002376800000000 ] - [ -0.0019531900000000, 0.0000809400000000, -0.0001066500000000 ] - [ 0.0042529100000000, 0.0000236900000000, -0.0061059500000000 ] - [ 0.0002135600000000, 0.0019709700000000, 0.0130573200000000 ] - [ 0.0004125900000000, -0.0000796900000000, 0.0003127100000000 ] - [ -0.0003129900000000, 0.0000969500000000, -0.0005929700000000 ] - [ -0.0001839000000000, 0.0001421700000000, -0.0054858800000000 ] - [ -0.0002095400000000, -0.0000943500000000, 0.0025407900000000 ] - [ 0.0006518000000000, -0.0000150900000000, 0.0003700300000000 ] - [ -0.0009450400000000, 0.0000086500000000, -0.0004698100000000 ] - [ 0.0006241900000000, -0.0000391500000000, -0.0016404700000000 ]- atom: 13 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0020392800000000, -0.0022866500000000, 0.0045166100000000 ] - [ 0.0000520400000000, 0.0020160900000000, 0.0059522100000000 ] - [ 0.0003749400000000, 0.0008927900000000, -0.0031402100000000 ] - [ 0.0001118100000000, -0.0009937300000000, -0.0023159200000000 ] - [ 0.0040494000000000, 0.0005451400000000, 0.0007082000000000 ] - [ -0.0040104800000000, 0.0006984000000000, 0.0030637200000000 ] - [ 0.0021551900000000, 0.0002722400000000, -0.0023856600000000 ] - [ -0.0023035800000000, -0.0001906900000000, -0.0034231700000000 ] - [ 0.0212468200000000, -0.0036121100000000, -0.0049445300000000 ] - [ -0.0007308500000000, -0.0000097400000000, 0.0015770600000000 ] - [ 0.0005764500000000, 0.0002414900000000, -0.0009277600000000 ] - [ -0.0000625500000000, 0.0000317600000000, -0.0034916700000000 ] - [ -0.0993184100000000, 0.0879777600000000, 0.3407306000000000 ] - [ 0.0002060800000000, 0.0000692800000000, 0.0009326400000000 ] - [ -0.0002171300000000, -0.0001843300000000, -0.0006109800000000 ] - [ 0.0006294900000000, 0.0003052300000000, -0.0048811300000000 ] - [ -0.0006424000000000, -0.0125002500000000, -0.0110663700000000 ] - [ -0.0000069800000000, 0.0000059800000000, 0.0003433200000000 ] - [ 0.0002099600000000, -0.0002192100000000, -0.0006101900000000 ] - [ 0.0012030100000000, 0.0008713200000000, -0.0040883000000000 ] - [ -0.0071188400000000, 0.0015398200000000, -0.0031972300000000 ] - [ 0.0009082300000000, 0.0060699000000000, -0.0233673100000000 ] - [ 0.0000918600000000, 0.0004211300000000, -0.0004586400000000 ] - [ 0.0011090300000000, -0.0008228700000000, -0.0041902100000000 ] - [ 0.0021198700000000, 0.0021271200000000, -0.0060592400000000 ] - [ -0.0006517200000000, 0.0000509500000000, 0.0003929900000000 ] - [ 0.0009371700000000, -0.0000225100000000, -0.0001532900000000 ] - [ 0.0021827100000000, 0.0002522300000000, -0.0059845300000000 ] - [ -0.0015198800000000, -0.0002187200000000, 0.0037267100000000 ] - [ 0.0001625200000000, -0.0000459500000000, 0.0002249300000000 ] - [ -0.0003183700000000, -0.0000054300000000, 0.0000772400000000 ] - [ 0.0007344200000000, -0.0002043700000000, -0.0025231800000000 ] - [ 0.0017822200000000, 0.0000020000000000, 0.0004902400000000 ] - [ -0.0001687800000000, 0.0001831400000000, 0.0005905000000000 ] - [ -0.0000302100000000, -0.0001651100000000, -0.0003567500000000 ] - [ -0.0007552000000000, -0.0002997800000000, -0.0009993000000000 ] - [ 0.0040513400000000, 0.0000018800000000, 0.0006548800000000 ] - [ 0.0004564400000000, 0.0001392000000000, 0.0000835100000000 ] - [ 0.0002546700000000, -0.0001181300000000, -0.0004997000000000 ] - [ -0.0011286500000000, -0.0001974200000000, -0.0013552800000000 ] - [ 0.0013167300000000, 0.0003037200000000, -0.0004877900000000 ] - [ 0.0000601600000000, 0.0002891900000000, 0.0001984800000000 ] - [ -0.0000263200000000, -0.0001423500000000, -0.0002182200000000 ] - [ -0.0016762900000000, -0.0006454000000000, -0.0003934200000000 ] - [ 0.0012446400000000, 0.0001588700000000, -0.0010994400000000 ] - [ -0.0000622500000000, 0.0000503500000000, 0.0003851100000000 ] - [ -0.0000273900000000, -0.0001529300000000, -0.0000560400000000 ] - [ -0.0019231000000000, 0.0003559100000000, -0.0002635500000000 ] - [ 0.0034238700000000, 0.0003776500000000, -0.0015107800000000 ] - [ 0.0005653700000000, 0.0001244800000000, 0.0001411900000000 ] - [ 0.0000584200000000, -0.0001503800000000, 0.0001458600000000 ] - [ -0.0001662400000000, -0.0001567000000000, 0.0004298500000000 ] - [ -0.0137683200000000, 0.0002554300000000, -0.0099618000000000 ] - [ 0.0026630200000000, -0.0006794300000000, -0.0080719700000000 ] - [ -0.0013241200000000, -0.0004912100000000, 0.0040939100000000 ] - [ 0.0007353200000000, 0.0004762900000000, 0.0052155100000000 ] - [ 0.0839885800000000, -0.0691890500000000, -0.2846953400000000 ] - [ 0.0000952500000000, 0.0001236000000000, -0.0009958000000000 ] - [ -0.0003728500000000, 0.0000400000000000, 0.0010423600000000 ] - [ -0.0010037000000000, -0.0003127200000000, 0.0071367000000000 ] - [ 0.0035927700000000, -0.0110146300000000, 0.0130051700000000 ] - [ 0.0002676100000000, -0.0000190700000000, -0.0004017700000000 ] - [ -0.0008800300000000, -0.0000685500000000, 0.0010031200000000 ] - [ -0.0055277500000000, -0.0001527300000000, 0.0070206600000000 ] - [ 0.0074922000000000, 0.0001063200000000, -0.0021490500000000 ] - [ 0.0000362100000000, -0.0000007700000000, 0.0002272300000000 ] - [ -0.0000377800000000, -0.0000157200000000, -0.0000788800000000 ] - [ -0.0035221700000000, 0.0000206400000000, 0.0024919000000000 ] - [ 0.0019823800000000, 0.0001374500000000, 0.0018127200000000 ] - [ -0.0002210800000000, -0.0000506500000000, 0.0004628800000000 ] - [ -0.0002920200000000, -0.0000235200000000, -0.0003976600000000 ] - [ -0.0029378200000000, 0.0000374800000000, 0.0011044600000000 ] - [ 0.0020213000000000, -0.0001134800000000, -0.0067830300000000 ] - [ -0.0019824400000000, -0.0000751200000000, 0.0005265500000000 ] - [ 0.0019083000000000, -0.0000493800000000, 0.0008641600000000 ] - [ -0.0041841700000000, 0.0000069400000000, 0.0053430300000000 ] - [ -0.0000898000000000, -0.0021367700000000, -0.0127664800000000 ] - [ -0.0004734000000000, -0.0000986600000000, -0.0006279900000000 ] - [ 0.0002518800000000, 0.0000812700000000, 0.0002770400000000 ] - [ 0.0002378800000000, 0.0000359900000000, 0.0057914500000000 ] - [ 0.0006773400000000, 0.0000766600000000, -0.0024636100000000 ] - [ -0.0011015500000000, -0.0000031300000000, -0.0004372700000000 ] - [ 0.0004887000000000, 0.0000091500000000, 0.0004052500000000 ] - [ -0.0001682900000000, 0.0000571200000000, 0.0017004800000000 ]- atom: 17 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0021973600000000, -0.0009799400000000, 0.0020381400000000 ] - [ 0.0012591100000000, 0.0011791000000000, 0.0031135600000000 ] - [ 0.0000414000000000, 0.0002560900000000, -0.0009696100000000 ] - [ 0.0001751300000000, -0.0001840400000000, -0.0004877900000000 ] - [ 0.0032833800000000, -0.0000179400000000, -0.0008567100000000 ] - [ -0.0002857100000000, 0.0002516400000000, 0.0015507300000000 ] - [ 0.0010838900000000, 0.0000658200000000, -0.0012997500000000 ] - [ -0.0003701600000000, -0.0000594000000000, 0.0001419000000000 ] - [ 0.0179917600000000, 0.0176670900000000, 0.0027988200000000 ] - [ 0.0020613700000000, -0.0000570700000000, 0.0009904400000000 ] - [ 0.0012546700000000, 0.0002165500000000, -0.0003350700000000 ] - [ -0.0013586300000000, 0.0002175700000000, -0.0004280900000000 ] - [ -0.0104115700000000, 0.0001920100000000, -0.0011521000000000 ] - [ 0.0011257700000000, 0.0002035400000000, 0.0004129300000000 ] - [ 0.0006761900000000, -0.0002145700000000, 0.0001243100000000 ] - [ -0.0013796400000000, -0.0003097000000000, -0.0016655100000000 ] - [ -0.0801552800000000, -0.0737824500000000, -0.0207705400000000 ] - [ 0.0008305100000000, -0.0002284300000000, 0.0002351100000000 ] - [ 0.0007200100000000, 0.0000475600000000, -0.0002086100000000 ] - [ -0.0009678200000000, 0.0004915200000000, -0.0006759200000000 ] - [ 0.0047228900000000, 0.0046657500000000, 0.0172434100000000 ] - [ -0.0142007600000000, 0.0015887800000000, 0.0028264600000000 ] - [ 0.0006222100000000, 0.0001975600000000, -0.0000264100000000 ] - [ -0.0007818300000000, -0.0001933000000000, -0.0008883000000000 ] - [ -0.0052682000000000, -0.0040522600000000, -0.0127743200000000 ] - [ 0.0007565800000000, 0.0000621200000000, 0.0004245900000000 ] - [ 0.0015264100000000, -0.0000449900000000, -0.0001314500000000 ] - [ -0.0019321400000000, -0.0001956500000000, -0.0008336300000000 ] - [ 0.0040451500000000, 0.0009142700000000, 0.0004042400000000 ] - [ 0.0007645700000000, -0.0000696200000000, 0.0002816200000000 ] - [ 0.0007828100000000, 0.0000640300000000, 0.0003804300000000 ] - [ -0.0000748800000000, -0.0000585100000000, -0.0007773700000000 ] - [ 0.0011349400000000, 0.0001197700000000, -0.0005443800000000 ] - [ 0.0016387600000000, 0.0003310100000000, 0.0001377500000000 ] - [ 0.0006052700000000, -0.0002492500000000, 0.0004147900000000 ] - [ 0.0009943200000000, 0.0000091400000000, 0.0008986500000000 ] - [ 0.0009122600000000, 0.0004953700000000, -0.0007850700000000 ] - [ 0.0016868900000000, 0.0001100700000000, -0.0002947100000000 ] - [ 0.0011989900000000, -0.0001230800000000, -0.0000313000000000 ] - [ -0.0010427100000000, 0.0001507200000000, 0.0016744700000000 ] - [ 0.0003578200000000, 0.0004512500000000, -0.0005694500000000 ] - [ 0.0010571900000000, 0.0003718300000000, 0.0004472800000000 ] - [ 0.0006509400000000, -0.0003391100000000, 0.0002678600000000 ] - [ 0.0019084200000000, 0.0006811200000000, 0.0017601900000000 ] - [ 0.0001813000000000, -0.0001079100000000, -0.0008340900000000 ] - [ 0.0006784600000000, -0.0001605800000000, 0.0004339300000000 ] - [ 0.0004954900000000, 0.0001113100000000, 0.0002898600000000 ] - [ 0.0010449500000000, -0.0011826700000000, 0.0012793100000000 ] - [ -0.0012749500000000, -0.0002755400000000, -0.0023752100000000 ] - [ 0.0020843900000000, -0.0000169000000000, 0.0001865700000000 ] - [ 0.0016697600000000, 0.0000098400000000, 0.0003435700000000 ] - [ 0.0006559500000000, 0.0000149500000000, 0.0004909900000000 ] - [ -0.0108814600000000, 0.0018920300000000, -0.0042819000000000 ] - [ -0.0016376000000000, -0.0006091600000000, -0.0043049400000000 ] - [ -0.0012648500000000, -0.0002473800000000, 0.0012459800000000 ] - [ 0.0009633200000000, -0.0000822300000000, 0.0010867600000000 ] - [ 0.0485831300000000, 0.0452513600000000, 0.0073348200000000 ] - [ -0.0022429800000000, 0.0002145900000000, -0.0004423500000000 ] - [ -0.0014160900000000, -0.0001403000000000, 0.0002254700000000 ] - [ 0.0016085300000000, -0.0004506800000000, 0.0015681200000000 ] - [ 0.0364185600000000, 0.0053152700000000, 0.0078922700000000 ] - [ -0.0017366300000000, -0.0002031000000000, -0.0005134400000000 ] - [ -0.0022993500000000, 0.0001051300000000, 0.0004282000000000 ] - [ 0.0027534600000000, 0.0004689200000000, 0.0012672100000000 ] - [ -0.0068070100000000, 0.0008823000000000, -0.0022919600000000 ] - [ -0.0014803300000000, -0.0001152000000000, -0.0000433800000000 ] - [ -0.0018798000000000, 0.0001097400000000, -0.0002414500000000 ] - [ -0.0000737800000000, 0.0000627900000000, 0.0009182500000000 ] - [ -0.0004286200000000, -0.0006454400000000, -0.0031255900000000 ] - [ -0.0013459200000000, 0.0000715100000000, -0.0002873700000000 ] - [ -0.0022522700000000, -0.0000861600000000, -0.0003662800000000 ] - [ -0.0013068800000000, -0.0000386000000000, 0.0013396500000000 ] - [ 0.0024580400000000, -0.0000781300000000, -0.0015831100000000 ] - [ -0.0024381800000000, -0.0000332000000000, 0.0009498700000000 ] - [ -0.0006656000000000, -0.0000070700000000, -0.0002534800000000 ] - [ 0.0000423800000000, -0.0000752800000000, 0.0031518300000000 ] - [ 0.0069861400000000, 0.0002809200000000, -0.0001336900000000 ] - [ -0.0018081500000000, -0.0001149100000000, -0.0003383100000000 ] - [ -0.0013314900000000, 0.0001015400000000, -0.0004316700000000 ] - [ 0.0039089500000000, 0.0001181200000000, -0.0003499800000000 ] - [ -0.0022441600000000, -0.0001874200000000, 0.0004650300000000 ] - [ -0.0016183000000000, 0.0000278700000000, 0.0002040400000000 ] - [ -0.0017372400000000, -0.0000056600000000, -0.0006127400000000 ] - [ -0.0001988000000000, -0.0000166300000000, -0.0003523800000000 ]- atom: 17 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0018900200000000, 0.0009512200000000, -0.0017904300000000 ] - [ -0.0015801500000000, -0.0012099500000000, -0.0033789900000000 ] - [ -0.0003521900000000, -0.0002278800000000, 0.0007148500000000 ] - [ 0.0001421400000000, 0.0002119500000000, 0.0007354300000000 ] - [ -0.0036701700000000, 0.0001340600000000, 0.0013501000000000 ] - [ 0.0006622200000000, -0.0001381300000000, -0.0020360900000000 ] - [ -0.0006964900000000, -0.0001795800000000, 0.0008207100000000 ] - [ -0.0000003300000000, -0.0000553500000000, 0.0003341300000000 ] - [ -0.0182815800000000, -0.0183296300000000, -0.0028907200000000 ] - [ -0.0020561300000000, -0.0002732400000000, -0.0008991600000000 ] - [ -0.0012371700000000, 0.0001132200000000, 0.0004305600000000 ] - [ 0.0013521500000000, 0.0001126900000000, 0.0003298200000000 ] - [ 0.0105101600000000, 0.0000982100000000, 0.0008899300000000 ] - [ -0.0012101900000000, 0.0000543700000000, -0.0001076700000000 ] - [ -0.0007582200000000, -0.0000426800000000, 0.0001804800000000 ] - [ 0.0014640400000000, 0.0000525400000000, 0.0013462500000000 ] - [ 0.0796572700000000, 0.0747744500000000, 0.0221492700000000 ] - [ -0.0006772000000000, 0.0004611700000000, -0.0005035300000000 ] - [ -0.0005649200000000, -0.0002794000000000, -0.0000571300000000 ] - [ 0.0008124400000000, -0.0007209100000000, 0.0009332000000000 ] - [ -0.0051769700000000, -0.0049121600000000, -0.0173217400000000 ] - [ 0.0143004700000000, -0.0020855600000000, -0.0028279000000000 ] - [ -0.0007649200000000, 0.0003944100000000, -0.0000083600000000 ] - [ 0.0009232800000000, 0.0007827600000000, 0.0009171100000000 ] - [ 0.0051527000000000, 0.0041185300000000, 0.0125191600000000 ] - [ -0.0006056100000000, 0.0000149900000000, -0.0001446300000000 ] - [ -0.0013766200000000, -0.0000321900000000, 0.0004146400000000 ] - [ 0.0017763300000000, 0.0001177200000000, 0.0005487700000000 ] - [ -0.0037251400000000, -0.0009339500000000, -0.0006796200000000 ] - [ -0.0010408300000000, 0.0000342000000000, 0.0000196900000000 ] - [ -0.0010601500000000, -0.0000287200000000, -0.0000767900000000 ] - [ 0.0003502400000000, 0.0000931000000000, 0.0004655200000000 ] - [ -0.0009077800000000, 0.0002277300000000, 0.0003791800000000 ] - [ -0.0018574500000000, 0.0000174500000000, 0.0000265200000000 ] - [ -0.0008295400000000, -0.0000984400000000, -0.0002520600000000 ] - [ -0.0007743100000000, -0.0003577500000000, -0.0010617100000000 ] - [ -0.0015382100000000, -0.0002303600000000, 0.0012080100000000 ] - [ -0.0010515700000000, 0.0001523700000000, -0.0001319900000000 ] - [ -0.0005655600000000, -0.0001393200000000, -0.0003958200000000 ] - [ 0.0003991100000000, -0.0004125800000000, -0.0012481500000000 ] - [ -0.0003073100000000, -0.0000199000000000, 0.0006058500000000 ] - [ -0.0011047600000000, 0.0000592200000000, -0.0004866600000000 ] - [ -0.0006998700000000, -0.0000902400000000, -0.0003101500000000 ] - [ -0.0018681100000000, -0.0011105600000000, -0.0017113200000000 ] - [ -0.0000369000000000, 0.0003287900000000, 0.0004944500000000 ] - [ -0.0008210100000000, 0.0003820500000000, -0.0000985400000000 ] - [ -0.0006383500000000, -0.0003338500000000, 0.0000423400000000 ] - [ -0.0009106300000000, 0.0009582000000000, -0.0016036100000000 ] - [ 0.0008116400000000, 0.0005602400000000, 0.0020710000000000 ] - [ -0.0016219900000000, 0.0003057200000000, 0.0000977600000000 ] - [ -0.0012080700000000, -0.0002987100000000, -0.0000614900000000 ] - [ -0.0008007700000000, -0.0006081500000000, -0.0005287800000000 ] - [ 0.0109533400000000, -0.0017465600000000, 0.0044534100000000 ] - [ 0.0016081600000000, 0.0007683300000000, 0.0041545000000000 ] - [ 0.0012194300000000, 0.0000902700000000, -0.0014062300000000 ] - [ -0.0009337300000000, -0.0000752300000000, -0.0009157300000000 ] - [ -0.0479383600000000, -0.0453450800000000, -0.0075858600000000 ] - [ 0.0021219300000000, -0.0001542500000000, 0.0005084100000000 ] - [ 0.0012856200000000, 0.0000797700000000, -0.0001617800000000 ] - [ -0.0014854500000000, 0.0003879700000000, -0.0016152800000000 ] - [ -0.0360785500000000, -0.0057377900000000, -0.0094597800000000 ] - [ 0.0012889700000000, 0.0002654300000000, 0.0011282100000000 ] - [ 0.0018511300000000, -0.0001670800000000, 0.0001810500000000 ] - [ -0.0022934500000000, -0.0005278300000000, -0.0018643500000000 ] - [ 0.0066752100000000, -0.0008683200000000, 0.0021103400000000 ] - [ 0.0016456600000000, 0.0001335000000000, 0.0001707600000000 ] - [ 0.0020442500000000, -0.0001280700000000, 0.0003641600000000 ] - [ -0.0000967200000000, -0.0000807700000000, -0.0010307400000000 ] - [ 0.0008538100000000, 0.0006230800000000, 0.0030456300000000 ] - [ 0.0009311100000000, -0.0000948300000000, 0.0003649600000000 ] - [ 0.0018336900000000, 0.0001091500000000, 0.0004384900000000 ] - [ 0.0017134200000000, 0.0000620000000000, -0.0014061900000000 ] - [ -0.0024159200000000, 0.0000488200000000, 0.0008191100000000 ] - [ 0.0023838200000000, 0.0000017600000000, -0.0001973800000000 ] - [ 0.0006089100000000, 0.0000384000000000, 0.0010178900000000 ] - [ -0.0000222500000000, 0.0001103200000000, -0.0039210100000000 ] - [ -0.0067729200000000, -0.0004082400000000, 0.0002725000000000 ] - [ 0.0017414800000000, -0.0000631200000000, 0.0000216500000000 ] - [ 0.0012642000000000, 0.0000765900000000, 0.0001160700000000 ] - [ -0.0038249800000000, 0.0000592600000000, 0.0006880500000000 ] - [ 0.0026933400000000, 0.0001680900000000, -0.0004030800000000 ] - [ 0.0011577100000000, -0.0000458100000000, -0.0002682400000000 ] - [ 0.0012818800000000, 0.0000235600000000, 0.0005457600000000 ] - [ 0.0006582400000000, 0.0000345100000000, 0.0004230100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008709700000000, -0.0006879600000000, 0.0003740700000000 ] - [ 0.0009674300000000, 0.0006365800000000, 0.0010218800000000 ] - [ -0.0003602800000000, -0.0000516500000000, 0.0001988700000000 ] - [ 0.0000098200000000, 0.0001118800000000, 0.0004307200000000 ] - [ 0.0018411600000000, 0.0000529400000000, -0.0009927700000000 ] - [ 0.0005755100000000, 0.0000961800000000, 0.0002141600000000 ] - [ -0.0005371300000000, -0.0001036400000000, -0.0002745400000000 ] - [ -0.0001239200000000, -0.0000027600000000, 0.0009252400000000 ] - [ 0.0158034700000000, 0.0101742400000000, -0.0004612700000000 ] - [ 0.0011380000000000, -0.0000560000000000, 0.0003287300000000 ] - [ -0.0000545000000000, 0.0001653100000000, 0.0000004300000000 ] - [ -0.0008174600000000, 0.0002083600000000, 0.0006142000000000 ] - [ 0.0010629300000000, 0.0231181100000000, 0.0126519900000000 ] - [ 0.0004162300000000, 0.0001691100000000, 0.0001125600000000 ] - [ 0.0001806300000000, -0.0001465600000000, 0.0002904100000000 ] - [ -0.0007303200000000, -0.0002860200000000, 0.0007222100000000 ] - [ -0.0723708100000000, -0.3274792100000000, -0.1399743400000000 ] - [ 0.0004196400000000, -0.0000274500000000, -0.0000014800000000 ] - [ 0.0002397700000000, -0.0000840600000000, -0.0001667800000000 ] - [ -0.0006799200000000, -0.0001658600000000, 0.0010439900000000 ] - [ 0.0046980600000000, -0.0012404900000000, 0.0065247800000000 ] - [ -0.0011358500000000, 0.0761420700000000, -0.0014705100000000 ] - [ 0.0001154100000000, 0.0002902600000000, -0.0000478100000000 ] - [ -0.0004095800000000, 0.0004394600000000, 0.0007853300000000 ] - [ -0.0017727800000000, -0.0010354000000000, 0.0058946600000000 ] - [ 0.0004043900000000, 0.0000487100000000, 0.0002966400000000 ] - [ 0.0005721200000000, -0.0000372700000000, -0.0000317300000000 ] - [ -0.0012010900000000, 0.0000450000000000, 0.0008727600000000 ] - [ 0.0015164900000000, -0.0003039200000000, -0.0013822400000000 ] - [ 0.0001432100000000, -0.0000251500000000, 0.0002486600000000 ] - [ 0.0002558200000000, 0.0000474800000000, 0.0001842300000000 ] - [ 0.0002325100000000, 0.0000698400000000, 0.0005408000000000 ] - [ 0.0000857400000000, 0.0001855300000000, -0.0002103300000000 ] - [ 0.0004253400000000, 0.0002151200000000, -0.0000014900000000 ] - [ 0.0002567100000000, -0.0002135400000000, 0.0003088600000000 ] - [ 0.0007528800000000, -0.0000592600000000, 0.0003254300000000 ] - [ -0.0010864300000000, 0.0001875800000000, 0.0002259100000000 ] - [ 0.0007763000000000, 0.0001200600000000, -0.0003050200000000 ] - [ 0.0006868800000000, -0.0001320800000000, -0.0000779100000000 ] - [ 0.0000823200000000, -0.0000883500000000, 0.0008269600000000 ] - [ -0.0000429300000000, 0.0001489000000000, 0.0002140500000000 ] - [ 0.0003130400000000, 0.0002410000000000, 0.0000367800000000 ] - [ 0.0002829800000000, -0.0002929900000000, 0.0001943200000000 ] - [ 0.0012246000000000, 0.0001798300000000, 0.0003874300000000 ] - [ -0.0000709100000000, 0.0001644600000000, 0.0001006500000000 ] - [ 0.0001949000000000, 0.0000369200000000, 0.0001457900000000 ] - [ 0.0001503300000000, 0.0000000200000000, 0.0003254300000000 ] - [ 0.0008856900000000, -0.0005728100000000, -0.0001597900000000 ] - [ -0.0010752400000000, 0.0000127700000000, -0.0005177100000000 ] - [ 0.0008625700000000, 0.0000926000000000, 0.0000981900000000 ] - [ 0.0008249300000000, -0.0000789800000000, 0.0002751200000000 ] - [ 0.0002601700000000, -0.0001623900000000, 0.0001838900000000 ] - [ -0.0066542200000000, 0.0020170600000000, -0.0017178600000000 ] - [ -0.0010202000000000, -0.0006202900000000, -0.0008203200000000 ] - [ 0.0003399500000000, -0.0000476200000000, -0.0004747800000000 ] - [ 0.0005809900000000, -0.0001611300000000, -0.0006137800000000 ] - [ 0.0496946900000000, 0.1652490700000000, 0.0448591000000000 ] - [ -0.0011306900000000, 0.0000908700000000, -0.0000504300000000 ] - [ -0.0002415800000000, -0.0000725900000000, 0.0000045500000000 ] - [ 0.0011192000000000, -0.0000983900000000, -0.0015290800000000 ] - [ 0.0058135200000000, 0.0522424100000000, 0.0732493200000000 ] - [ -0.0008813900000000, -0.0000699100000000, -0.0000493500000000 ] - [ -0.0009055800000000, -0.0000042900000000, 0.0004332400000000 ] - [ 0.0020479600000000, 0.0001176800000000, -0.0016264800000000 ] - [ -0.0046449500000000, 0.0008264400000000, 0.0011314800000000 ] - [ -0.0005376700000000, -0.0000351500000000, -0.0001194100000000 ] - [ -0.0006031800000000, 0.0000402800000000, 0.0000987500000000 ] - [ 0.0003107600000000, -0.0000805300000000, -0.0006866200000000 ] - [ -0.0007763700000000, -0.0003418800000000, -0.0008982200000000 ] - [ -0.0007246700000000, 0.0000330800000000, -0.0002606100000000 ] - [ -0.0008581100000000, -0.0000144400000000, 0.0000703100000000 ] - [ 0.0004644300000000, 0.0000493800000000, -0.0003158400000000 ] - [ -0.0008557000000000, 0.0001487400000000, -0.0030634200000000 ] - [ -0.0006581600000000, -0.0000274500000000, 0.0009852300000000 ] - [ -0.0004471100000000, 0.0000150000000000, -0.0001721400000000 ] - [ 0.0024201000000000, -0.0002283400000000, 0.0009992400000000 ] - [ 0.0040461600000000, 0.0008385600000000, 0.0013271600000000 ] - [ -0.0006651000000000, -0.0000997100000000, -0.0001375500000000 ] - [ -0.0005432100000000, 0.0000914500000000, -0.0003546500000000 ] - [ 0.0002796100000000, 0.0001651500000000, -0.0020804600000000 ] - [ -0.0003679000000000, -0.0001026200000000, 0.0007179800000000 ] - [ -0.0005566700000000, 0.0000021500000000, 0.0000286600000000 ] - [ -0.0010042300000000, 0.0000043800000000, -0.0002506600000000 ] - [ -0.0001004800000000, 0.0000061000000000, -0.0005337700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005665700000000, 0.0006671300000000, -0.0001267600000000 ] - [ -0.0012942300000000, -0.0006721100000000, -0.0012817500000000 ] - [ 0.0000480600000000, 0.0000815700000000, -0.0004532100000000 ] - [ 0.0003071700000000, -0.0000843400000000, -0.0001855200000000 ] - [ -0.0022341700000000, 0.0000594300000000, 0.0014858100000000 ] - [ -0.0002073100000000, 0.0000180900000000, -0.0006972600000000 ] - [ 0.0009216700000000, -0.0000106500000000, -0.0002042000000000 ] - [ -0.0002507800000000, -0.0001121100000000, -0.0004560600000000 ] - [ -0.0160503400000000, -0.0105478600000000, 0.0003711000000000 ] - [ -0.0011428500000000, -0.0002743600000000, -0.0002370300000000 ] - [ 0.0000651400000000, 0.0001646500000000, 0.0000947700000000 ] - [ 0.0008183800000000, 0.0001210900000000, -0.0007182800000000 ] - [ -0.0009884300000000, -0.0231126100000000, -0.0133297200000000 ] - [ -0.0005056900000000, 0.0000885000000000, 0.0001931400000000 ] - [ -0.0002670700000000, -0.0001100100000000, 0.0000131100000000 ] - [ 0.0008235200000000, 0.0000292500000000, -0.0010396100000000 ] - [ 0.0762225800000000, 0.3397852300000000, 0.1403588300000000 ] - [ -0.0002700200000000, 0.0002612400000000, -0.0002681300000000 ] - [ -0.0000879000000000, -0.0001482600000000, -0.0001008600000000 ] - [ 0.0005337000000000, -0.0000651600000000, -0.0007888200000000 ] - [ -0.0052492900000000, 0.0008405500000000, -0.0068951000000000 ] - [ 0.0013672100000000, -0.0766510600000000, 0.0021372300000000 ] - [ -0.0002613300000000, 0.0003031700000000, 0.0000118100000000 ] - [ 0.0005598900000000, 0.0001518000000000, -0.0007594800000000 ] - [ 0.0016513500000000, 0.0009898100000000, -0.0062818700000000 ] - [ -0.0002589400000000, 0.0000286800000000, -0.0000171400000000 ] - [ -0.0004276000000000, -0.0000396300000000, 0.0003147300000000 ] - [ 0.0010647900000000, -0.0001217600000000, -0.0011662600000000 ] - [ -0.0012513700000000, 0.0002577700000000, 0.0010958500000000 ] - [ -0.0004242200000000, -0.0000095700000000, 0.0000508600000000 ] - [ -0.0005380600000000, -0.0000121900000000, 0.0001160800000000 ] - [ 0.0000446600000000, -0.0000352900000000, -0.0008503300000000 ] - [ 0.0001376200000000, 0.0001627400000000, 0.0000475900000000 ] - [ -0.0006523700000000, 0.0001328800000000, 0.0001658600000000 ] - [ -0.0004827300000000, -0.0001337300000000, -0.0001476300000000 ] - [ -0.0005365200000000, -0.0002907600000000, -0.0004931900000000 ] - [ 0.0004649900000000, 0.0000699500000000, 0.0001971600000000 ] - [ -0.0001506600000000, 0.0001428100000000, -0.0001196500000000 ] - [ -0.0000607200000000, -0.0001301800000000, -0.0003485000000000 ] - [ -0.0007162700000000, -0.0001763200000000, -0.0004066600000000 ] - [ 0.0000927300000000, 0.0002821900000000, -0.0001752800000000 ] - [ -0.0003652700000000, 0.0001895800000000, -0.0000784100000000 ] - [ -0.0003343400000000, -0.0001356800000000, -0.0002372200000000 ] - [ -0.0011979600000000, -0.0006148500000000, -0.0003507900000000 ] - [ 0.0002166500000000, 0.0000574600000000, -0.0004370500000000 ] - [ -0.0003411700000000, 0.0001859700000000, 0.0001869600000000 ] - [ -0.0002960700000000, -0.0002231700000000, 0.0000058500000000 ] - [ -0.0007463500000000, 0.0003565900000000, -0.0001709000000000 ] - [ 0.0006267200000000, 0.0002792100000000, 0.0002350600000000 ] - [ -0.0004097900000000, 0.0001974000000000, 0.0001849400000000 ] - [ -0.0003719700000000, -0.0002105000000000, 0.0000058300000000 ] - [ -0.0004085100000000, -0.0004316200000000, -0.0002225000000000 ] - [ 0.0067417400000000, -0.0018670800000000, 0.0018889700000000 ] - [ 0.0010003600000000, 0.0007839500000000, 0.0006617000000000 ] - [ -0.0003784300000000, -0.0001098700000000, 0.0003152800000000 ] - [ -0.0005538800000000, 0.0000059800000000, 0.0007891200000000 ] - [ -0.0535963100000000, -0.1773780100000000, -0.0477440700000000 ] - [ 0.0010188200000000, -0.0000311500000000, 0.0001174100000000 ] - [ 0.0001181600000000, 0.0000133900000000, 0.0000618600000000 ] - [ -0.0010065700000000, 0.0000393300000000, 0.0014834100000000 ] - [ -0.0051594300000000, -0.0516079800000000, -0.0712187700000000 ] - [ 0.0004450000000000, 0.0001338300000000, 0.0006659800000000 ] - [ 0.0004688500000000, -0.0000587000000000, 0.0001783500000000 ] - [ -0.0016235200000000, -0.0001817000000000, 0.0010315700000000 ] - [ 0.0045430400000000, -0.0008198800000000, -0.0012849200000000 ] - [ 0.0007109000000000, 0.0000547700000000, 0.0002476900000000 ] - [ 0.0007770400000000, -0.0000592800000000, 0.0000277600000000 ] - [ -0.0004831800000000, 0.0000628200000000, 0.0005676900000000 ] - [ 0.0011961100000000, 0.0003285400000000, 0.0008311000000000 ] - [ 0.0003189100000000, -0.0000563000000000, 0.0003371600000000 ] - [ 0.0004538800000000, 0.0000380100000000, 0.0000022700000000 ] - [ -0.0000563500000000, -0.0000265200000000, 0.0002446100000000 ] - [ 0.0009208500000000, -0.0001804500000000, 0.0023340100000000 ] - [ 0.0006098900000000, -0.0000035000000000, -0.0002329300000000 ] - [ 0.0003981000000000, 0.0000166100000000, 0.0009381500000000 ] - [ -0.0023760700000000, 0.0002624000000000, -0.0017893100000000 ] - [ -0.0040339400000000, -0.0010194500000000, -0.0010040200000000 ] - [ 0.0006068500000000, -0.0000776200000000, -0.0001794300000000 ] - [ 0.0004836100000000, 0.0000864900000000, 0.0000403500000000 ] - [ -0.0002123800000000, 0.0000087500000000, 0.0024229100000000 ] - [ 0.0008269500000000, 0.0000855600000000, -0.0006585400000000 ] - [ 0.0001036300000000, -0.0000202600000000, -0.0000953600000000 ] - [ 0.0005568900000000, 0.0000140800000000, 0.0001867100000000 ] - [ 0.0005604900000000, 0.0000123200000000, 0.0006059100000000 ]- atom: 17 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0009931800000000, 0.0004765200000000, -0.0012683800000000 ] - [ 0.0007872500000000, -0.0003529600000000, -0.0017145500000000 ] - [ -0.0008923300000000, -0.0004264800000000, 0.0017089300000000 ] - [ -0.0002131100000000, 0.0004934200000000, 0.0016618500000000 ] - [ 0.0001832600000000, 0.0002473000000000, -0.0018671500000000 ] - [ 0.0023378500000000, -0.0001432600000000, -0.0000588800000000 ] - [ -0.0027197300000000, -0.0002619200000000, 0.0007478400000000 ] - [ 0.0000428600000000, 0.0000745300000000, 0.0020638000000000 ] - [ 0.0015197100000000, 0.0008558800000000, -0.0100151600000000 ] - [ 0.0014282900000000, -0.0001628200000000, -0.0000748300000000 ] - [ -0.0013677400000000, 0.0001207000000000, 0.0003327800000000 ] - [ -0.0005320200000000, 0.0001811800000000, 0.0021986600000000 ] - [ 0.0027432900000000, 0.0236267900000000, 0.0112995100000000 ] - [ 0.0001241000000000, 0.0001700000000000, -0.0003141800000000 ] - [ -0.0000908100000000, -0.0000937900000000, 0.0006398900000000 ] - [ -0.0008348800000000, -0.0004112100000000, 0.0041353600000000 ] - [ -0.0099913700000000, -0.1306928000000000, -0.2573565300000000 ] - [ 0.0003296900000000, 0.0000353100000000, -0.0001338900000000 ] - [ -0.0000951000000000, -0.0001734300000000, -0.0001136600000000 ] - [ -0.0007405700000000, -0.0011134900000000, 0.0042448300000000 ] - [ 0.0184117700000000, 0.0035201600000000, 0.0106662100000000 ] - [ 0.0015694000000000, 0.0018852400000000, -0.0087809800000000 ] - [ -0.0002257400000000, 0.0003590900000000, -0.0000615500000000 ] - [ -0.0001052500000000, 0.0015461600000000, 0.0034978300000000 ] - [ -0.0067826200000000, 0.0089803100000000, 0.0208591700000000 ] - [ 0.0003515900000000, 0.0000458200000000, 0.0003386700000000 ] - [ -0.0000652700000000, -0.0000319900000000, -0.0000667900000000 ] - [ -0.0005549700000000, 0.0003306900000000, 0.0042919500000000 ] - [ 0.0001681200000000, 0.0000523000000000, -0.0071130100000000 ] - [ -0.0003645600000000, 0.0000317400000000, 0.0003398900000000 ] - [ 0.0002029400000000, 0.0000794200000000, -0.0000260100000000 ] - [ 0.0001600300000000, 0.0003107700000000, 0.0032349500000000 ] - [ -0.0016142400000000, 0.0003344600000000, -0.0002862700000000 ] - [ -0.0003430200000000, 0.0001367900000000, -0.0004696600000000 ] - [ 0.0001497700000000, -0.0002143700000000, 0.0006421700000000 ] - [ 0.0014651600000000, 0.0000893800000000, 0.0007120100000000 ] - [ -0.0048831300000000, -0.0005651400000000, 0.0009310700000000 ] - [ 0.0002480500000000, 0.0001097900000000, -0.0005439300000000 ] - [ 0.0005026600000000, -0.0001514000000000, 0.0001579500000000 ] - [ 0.0015347600000000, -0.0000092800000000, 0.0015166800000000 ] - [ -0.0011183800000000, -0.0001645400000000, 0.0014774600000000 ] - [ -0.0001370300000000, 0.0000869900000000, -0.0004634700000000 ] - [ 0.0001623600000000, -0.0003578000000000, 0.0004232200000000 ] - [ 0.0035924900000000, 0.0004158300000000, -0.0003520500000000 ] - [ -0.0008857800000000, 0.0004166800000000, 0.0016691200000000 ] - [ -0.0000229400000000, 0.0001990900000000, -0.0003163900000000 ] - [ -0.0000395200000000, 0.0000057400000000, 0.0006423200000000 ] - [ 0.0025723000000000, -0.0007118300000000, -0.0016362000000000 ] - [ -0.0018401900000000, 0.0004789800000000, 0.0039562800000000 ] - [ 0.0001990200000000, 0.0001537900000000, -0.0000830000000000 ] - [ 0.0004630100000000, -0.0001142000000000, 0.0003757200000000 ] - [ 0.0001675400000000, -0.0002101100000000, 0.0000529100000000 ] - [ -0.0020408600000000, -0.0003142700000000, 0.0029421300000000 ] - [ -0.0028521400000000, 0.0001026300000000, 0.0012456400000000 ] - [ 0.0021819900000000, 0.0001495100000000, -0.0026550700000000 ] - [ 0.0003636800000000, -0.0002394100000000, -0.0029067900000000 ] - [ 0.0015783500000000, 0.0195436500000000, 0.0557097600000000 ] - [ -0.0010908900000000, 0.0000204600000000, 0.0003408400000000 ] - [ 0.0007553700000000, -0.0000584600000000, -0.0003081700000000 ] - [ 0.0010536000000000, 0.0004217700000000, -0.0065099400000000 ] - [ 0.0004822200000000, 0.0718905500000000, 0.1716692500000000 ] - [ -0.0005914800000000, -0.0000336900000000, 0.0000728500000000 ] - [ -0.0000750900000000, -0.0000774700000000, 0.0004966500000000 ] - [ 0.0015102000000000, -0.0006303500000000, -0.0068349100000000 ] - [ -0.0133516600000000, 0.0012308700000000, 0.0092938700000000 ] - [ -0.0000568600000000, 0.0000076500000000, -0.0005098100000000 ] - [ 0.0000024600000000, 0.0000180200000000, 0.0006362700000000 ] - [ 0.0025878900000000, -0.0001240600000000, -0.0040566600000000 ] - [ -0.0026413500000000, -0.0008588300000000, -0.0008818500000000 ] - [ -0.0005057300000000, 0.0000520800000000, -0.0007380700000000 ] - [ -0.0000240900000000, 0.0000678900000000, 0.0008157800000000 ] - [ 0.0039837400000000, -0.0000487000000000, -0.0027226500000000 ] - [ -0.0040073400000000, 0.0001429900000000, -0.0058376800000000 ] - [ 0.0005420400000000, 0.0000045300000000, 0.0016461100000000 ] - [ -0.0006594900000000, 0.0000322500000000, -0.0007349700000000 ] - [ 0.0063269400000000, -0.0003820500000000, -0.0003382000000000 ] - [ 0.0026191500000000, -0.0008215400000000, 0.0055070000000000 ] - [ -0.0000078800000000, -0.0000967700000000, 0.0002024300000000 ] - [ -0.0002555000000000, 0.0000827800000000, -0.0005516100000000 ] - [ -0.0018554500000000, 0.0004749700000000, -0.0072337800000000 ] - [ 0.0008476900000000, -0.0000350300000000, 0.0028389200000000 ] - [ 0.0006514800000000, -0.0000163700000000, 0.0000593200000000 ] - [ -0.0014146500000000, 0.0000198700000000, -0.0003298500000000 ] - [ -0.0000064700000000, -0.0000135000000000, -0.0020293200000000 ]- atom: 17 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0006595100000000, -0.0005148100000000, 0.0015309500000000 ] - [ -0.0010863600000000, 0.0003362300000000, 0.0014902800000000 ] - [ 0.0005739300000000, 0.0004546400000000, -0.0019586800000000 ] - [ 0.0005243600000000, -0.0004650800000000, -0.0014106400000000 ] - [ -0.0005248700000000, -0.0001330300000000, 0.0023246500000000 ] - [ -0.0019669300000000, 0.0002594200000000, -0.0004071500000000 ] - [ 0.0030812400000000, 0.0001485200000000, -0.0012317600000000 ] - [ -0.0004209800000000, -0.0001879000000000, -0.0015796200000000 ] - [ -0.0013309200000000, -0.0010585000000000, 0.0099358600000000 ] - [ -0.0014055100000000, -0.0001652700000000, 0.0001764200000000 ] - [ 0.0013712600000000, 0.0002087900000000, -0.0002408900000000 ] - [ 0.0005105200000000, 0.0001487700000000, -0.0022895700000000 ] - [ -0.0026769300000000, -0.0236339500000000, -0.0117340100000000 ] - [ -0.0002026700000000, 0.0000879600000000, 0.0006189200000000 ] - [ 0.0000076900000000, -0.0001631000000000, -0.0003335600000000 ] - [ 0.0009126800000000, 0.0001548100000000, -0.0044355500000000 ] - [ 0.0082380500000000, 0.1240674800000000, 0.2486736500000000 ] - [ -0.0001719700000000, 0.0001948400000000, -0.0001328400000000 ] - [ 0.0002495900000000, -0.0000592000000000, -0.0001565700000000 ] - [ 0.0005822600000000, 0.0008809600000000, -0.0039719400000000 ] - [ -0.0186409300000000, -0.0037315500000000, -0.0107898000000000 ] - [ -0.0013793300000000, -0.0021637500000000, 0.0086463400000000 ] - [ 0.0000827700000000, 0.0002344700000000, 0.0000225200000000 ] - [ 0.0002458100000000, -0.0009533000000000, -0.0034568300000000 ] - [ 0.0064481700000000, -0.0087225500000000, -0.0207167200000000 ] - [ -0.0001999800000000, 0.0000314400000000, -0.0000556700000000 ] - [ 0.0002214300000000, -0.0000449500000000, 0.0003435800000000 ] - [ 0.0003910700000000, -0.0004080100000000, -0.0045678700000000 ] - [ 0.0000983900000000, -0.0000922100000000, 0.0067968000000000 ] - [ 0.0000907000000000, -0.0000669200000000, -0.0000390500000000 ] - [ -0.0004771000000000, -0.0000436300000000, 0.0003249900000000 ] - [ 0.0001216100000000, -0.0002754800000000, -0.0035323000000000 ] - [ 0.0018406800000000, 0.0000132900000000, 0.0001226700000000 ] - [ 0.0001258100000000, 0.0002120600000000, 0.0006339100000000 ] - [ -0.0003647600000000, -0.0001344600000000, -0.0004771500000000 ] - [ -0.0012381400000000, -0.0004367900000000, -0.0008768500000000 ] - [ 0.0042571700000000, 0.0008356100000000, -0.0005011500000000 ] - [ 0.0003867600000000, 0.0001524900000000, 0.0001169400000000 ] - [ 0.0001317800000000, -0.0001110200000000, -0.0005832300000000 ] - [ -0.0021580300000000, -0.0002529500000000, -0.0010917500000000 ] - [ 0.0011697000000000, 0.0005929200000000, -0.0014372300000000 ] - [ 0.0000923700000000, 0.0003431700000000, 0.0004222500000000 ] - [ -0.0002053400000000, -0.0000722400000000, -0.0004616600000000 ] - [ -0.0035260000000000, -0.0008422800000000, 0.0003918300000000 ] - [ 0.0010309500000000, -0.0001937600000000, -0.0020013000000000 ] - [ -0.0001179800000000, 0.0000215900000000, 0.0006465800000000 ] - [ -0.0001008500000000, -0.0002260200000000, -0.0003092100000000 ] - [ -0.0024227800000000, 0.0004853100000000, 0.0012946800000000 ] - [ 0.0013746600000000, -0.0001939700000000, -0.0042488500000000 ] - [ 0.0002666000000000, 0.0001347700000000, 0.0003649600000000 ] - [ 0.0000032300000000, -0.0001737900000000, -0.0000910000000000 ] - [ -0.0003083600000000, -0.0003804100000000, -0.0000867800000000 ] - [ 0.0019583400000000, 0.0004927100000000, -0.0028130100000000 ] - [ 0.0028082000000000, 0.0000454700000000, -0.0014436900000000 ] - [ -0.0022068500000000, -0.0003064200000000, 0.0024869700000000 ] - [ -0.0003180600000000, 0.0000818000000000, 0.0030665500000000 ] - [ -0.0013093700000000, -0.0188666100000000, -0.0554175600000000 ] - [ 0.0009518900000000, 0.0000408200000000, -0.0002787700000000 ] - [ -0.0008792000000000, -0.0000020400000000, 0.0003732500000000 ] - [ -0.0009153200000000, -0.0004829500000000, 0.0064302500000000 ] - [ 0.0008872100000000, -0.0661567000000000, -0.1635982600000000 ] - [ 0.0001391800000000, 0.0000947500000000, 0.0005324000000000 ] - [ -0.0003778200000000, 0.0000145400000000, 0.0001190800000000 ] - [ -0.0010491400000000, 0.0005693600000000, 0.0062137600000000 ] - [ 0.0131472800000000, -0.0011980200000000, -0.0093715800000000 ] - [ 0.0002149500000000, 0.0000106000000000, 0.0006319600000000 ] - [ 0.0001572600000000, -0.0000361700000000, -0.0005101100000000 ] - [ -0.0027578700000000, 0.0001046700000000, 0.0039303600000000 ] - [ 0.0030423200000000, 0.0008304500000000, 0.0008092000000000 ] - [ 0.0000866100000000, -0.0000748100000000, 0.0008079000000000 ] - [ -0.0003928700000000, -0.0000445800000000, -0.0007426800000000 ] - [ -0.0035809600000000, 0.0000738000000000, 0.0026464200000000 ] - [ 0.0040726200000000, -0.0001736700000000, 0.0050553800000000 ] - [ -0.0006073300000000, -0.0000361200000000, -0.0008750600000000 ] - [ 0.0006046600000000, -0.0000009900000000, 0.0014862000000000 ] - [ -0.0062446100000000, 0.0004092300000000, -0.0003831200000000 ] - [ -0.0022040600000000, 0.0007460400000000, -0.0055126800000000 ] - [ -0.0000656700000000, -0.0000812100000000, -0.0005201600000000 ] - [ 0.0001849300000000, 0.0000950200000000, 0.0002324500000000 ] - [ 0.0019110700000000, -0.0002932500000000, 0.0075234300000000 ] - [ -0.0003943300000000, 0.0000169900000000, -0.0027763200000000 ] - [ -0.0011144900000000, -0.0000017800000000, -0.0001283200000000 ] - [ 0.0009512100000000, -0.0000015400000000, 0.0002620300000000 ] - [ 0.0004552400000000, 0.0000319200000000, 0.0020921000000000 ]- atom: 21 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0020084900000000, -0.0010873700000000, 0.0020140300000000 ] - [ 0.0012036500000000, 0.0010621200000000, 0.0020797800000000 ] - [ 0.0013491900000000, 0.0002719700000000, -0.0019735800000000 ] - [ 0.0012144800000000, -0.0001499700000000, -0.0012070600000000 ] - [ 0.0029392900000000, 0.0001512100000000, 0.0011112700000000 ] - [ 0.0009575900000000, 0.0001044800000000, 0.0009774200000000 ] - [ 0.0051474900000000, 0.0003120400000000, -0.0021907400000000 ] - [ 0.0009728600000000, -0.0001718100000000, -0.0003380000000000 ] - [ 0.0057109100000000, 0.0003681300000000, 0.0032141200000000 ] - [ 0.0036158400000000, -0.0001177700000000, 0.0008591500000000 ] - [ 0.0050005300000000, 0.0002759200000000, -0.0002581000000000 ] - [ -0.0002447300000000, 0.0002546800000000, -0.0008921800000000 ] - [ -0.0029642400000000, 0.0021069900000000, 0.0063836200000000 ] - [ 0.0021781200000000, 0.0003033900000000, 0.0006552400000000 ] - [ 0.0021621100000000, -0.0003519300000000, 0.0001414600000000 ] - [ -0.0019353300000000, -0.0002546400000000, -0.0041358500000000 ] - [ 0.0048979100000000, 0.0051011300000000, 0.0195937800000000 ] - [ 0.0015176900000000, -0.0004834400000000, 0.0003188200000000 ] - [ 0.0019319100000000, 0.0005206800000000, 0.0001160600000000 ] - [ -0.0011139400000000, 0.0007323800000000, -0.0016591400000000 ] - [ -0.5022949600000000, 0.0821560100000000, -0.0208005500000000 ] - [ 0.0046770100000000, -0.0132929600000000, 0.0145137000000000 ] - [ 0.0018324800000000, -0.0001870100000000, 0.0004744300000000 ] - [ -0.0012853500000000, -0.0003825600000000, -0.0017196300000000 ] - [ 0.0371766600000000, -0.0032357400000000, -0.0041286900000000 ] - [ 0.0020073000000000, 0.0000907200000000, 0.0004197600000000 ] - [ 0.0029614800000000, -0.0000586800000000, -0.0000064100000000 ] - [ -0.0020489400000000, -0.0001924600000000, -0.0003502800000000 ] - [ 0.0085496900000000, 0.0007781700000000, -0.0212656800000000 ] - [ 0.0012868800000000, -0.0000586700000000, 0.0004558000000000 ] - [ 0.0027362100000000, 0.0002609700000000, 0.0005750600000000 ] - [ -0.0033274800000000, -0.0000024400000000, -0.0014006500000000 ] - [ -0.0002809100000000, 0.0004064700000000, -0.0026010300000000 ] - [ 0.0038025100000000, 0.0004675700000000, -0.0009476500000000 ] - [ 0.0005836500000000, -0.0003083000000000, 0.0021007600000000 ] - [ 0.0023148700000000, 0.0019354000000000, 0.0070527400000000 ] - [ -0.0031859400000000, -0.0000060700000000, -0.0022504500000000 ] - [ 0.0033305600000000, 0.0000419100000000, -0.0010336000000000 ] - [ 0.0023104900000000, -0.0001596200000000, 0.0011309900000000 ] - [ -0.0091236700000000, 0.0012103700000000, 0.0071338100000000 ] - [ -0.0014095000000000, 0.0008866800000000, -0.0013141800000000 ] - [ 0.0025656400000000, 0.0004021900000000, 0.0004081600000000 ] - [ 0.0011104300000000, -0.0006635800000000, 0.0009133100000000 ] - [ 0.0306804000000000, 0.0106406800000000, 0.0114656700000000 ] - [ -0.0014549800000000, -0.0008634800000000, -0.0009885600000000 ] - [ 0.0019207300000000, -0.0004500500000000, 0.0000895800000000 ] - [ 0.0009476800000000, 0.0004523300000000, 0.0008747700000000 ] - [ 0.0164386700000000, -0.0156119300000000, 0.0010441000000000 ] - [ -0.0045310800000000, -0.0002728700000000, -0.0007740300000000 ] - [ 0.0048114100000000, -0.0002981500000000, 0.0002206000000000 ] - [ 0.0032048100000000, 0.0001634600000000, 0.0006160900000000 ] - [ 0.0013500900000000, 0.0001985000000000, 0.0007043500000000 ] - [ -0.0059903100000000, 0.0003822200000000, -0.0034307000000000 ] - [ -0.0032177600000000, -0.0003921500000000, -0.0034255200000000 ] - [ -0.0054979200000000, -0.0003252700000000, 0.0026388200000000 ] - [ -0.0007808000000000, -0.0002513800000000, 0.0022348700000000 ] - [ -0.0023576900000000, -0.0054932500000000, -0.0128130700000000 ] - [ -0.0038151900000000, 0.0003691600000000, -0.0005596500000000 ] - [ -0.0046942200000000, -0.0003711800000000, 0.0000126300000000 ] - [ 0.0011205400000000, -0.0006837700000000, 0.0039028800000000 ] - [ 0.1795945600000000, -0.0352492300000000, 0.0637703700000000 ] - [ -0.0036039000000000, -0.0003863300000000, -0.0007761800000000 ] - [ -0.0051319200000000, 0.0004326200000000, -0.0003034000000000 ] - [ 0.0045049100000000, 0.0004950100000000, 0.0020257300000000 ] - [ 0.2123940700000000, -0.0229616500000000, -0.0527154900000000 ] - [ -0.0028686300000000, -0.0002990200000000, -0.0005252500000000 ] - [ -0.0050854800000000, 0.0003436200000000, 0.0000022200000000 ] - [ 0.0043075800000000, 0.0006704300000000, 0.0009800700000000 ] - [ 0.0066179100000000, -0.0083960900000000, -0.0220665100000000 ] - [ -0.0021308000000000, 0.0002986400000000, -0.0016038700000000 ] - [ -0.0049202600000000, -0.0000744100000000, 0.0003996000000000 ] - [ 0.0021948800000000, -0.0005183700000000, 0.0022683500000000 ] - [ 0.0002207800000000, 0.0000156800000000, -0.0021810800000000 ] - [ -0.0046278800000000, -0.0000361900000000, -0.0004273300000000 ] - [ -0.0026905600000000, -0.0000038800000000, -0.0000651600000000 ] - [ -0.0068009400000000, 0.0003273500000000, 0.0029933600000000 ] - [ 0.0116235100000000, -0.0002009200000000, 0.0020394000000000 ] - [ -0.0035928200000000, -0.0001343700000000, -0.0002556700000000 ] - [ -0.0035771800000000, 0.0001321600000000, -0.0011374800000000 ] - [ 0.0150825700000000, -0.0001954100000000, 0.0024907500000000 ] - [ -0.0045167000000000, -0.0005897100000000, 0.0068391600000000 ] - [ -0.0016443800000000, 0.0000708400000000, 0.0013389400000000 ] - [ -0.0066623300000000, 0.0002336600000000, -0.0035058900000000 ] - [ 0.0023396700000000, -0.0002038700000000, -0.0035672800000000 ]- atom: 21 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0016877800000000, 0.0010575200000000, -0.0017632000000000 ] - [ -0.0015129700000000, -0.0010882400000000, -0.0023286100000000 ] - [ -0.0016618400000000, -0.0002469500000000, 0.0017293200000000 ] - [ -0.0008974100000000, 0.0001804700000000, 0.0014633900000000 ] - [ -0.0033071300000000, -0.0000361400000000, -0.0006388100000000 ] - [ -0.0005797300000000, 0.0000097500000000, -0.0014537400000000 ] - [ -0.0047798300000000, -0.0004254600000000, 0.0017165500000000 ] - [ -0.0013420500000000, 0.0000573800000000, 0.0008185400000000 ] - [ -0.0056769800000000, -0.0006976200000000, -0.0033039700000000 ] - [ -0.0036010600000000, -0.0002122700000000, -0.0007641200000000 ] - [ -0.0049908500000000, 0.0000539300000000, 0.0003543800000000 ] - [ 0.0002508500000000, 0.0000747900000000, 0.0007987300000000 ] - [ 0.0030477300000000, -0.0018476000000000, -0.0066731100000000 ] - [ -0.0022591000000000, -0.0000446400000000, -0.0003544800000000 ] - [ -0.0022431100000000, 0.0000938900000000, 0.0001627500000000 ] - [ 0.0020394000000000, 0.0000021400000000, 0.0038370100000000 ] - [ -0.0049994800000000, -0.0048481900000000, -0.0194021700000000 ] - [ -0.0013621200000000, 0.0007155300000000, -0.0005856700000000 ] - [ -0.0017766000000000, -0.0007533200000000, -0.0003816700000000 ] - [ 0.0009747700000000, -0.0009718500000000, 0.0019098300000000 ] - [ 0.4984172800000000, -0.0834711100000000, 0.0309565700000000 ] - [ -0.0044343700000000, 0.0127219500000000, -0.0144887500000000 ] - [ -0.0019740800000000, 0.0007798000000000, -0.0005094500000000 ] - [ 0.0014307800000000, 0.0009749300000000, 0.0017516700000000 ] - [ -0.0380990800000000, 0.0033618300000000, 0.0039333900000000 ] - [ -0.0018555000000000, -0.0000137400000000, -0.0001368300000000 ] - [ -0.0028093800000000, -0.0000180700000000, 0.0002873700000000 ] - [ 0.0019006800000000, 0.0001156400000000, 0.0000642000000000 ] - [ -0.0082537800000000, -0.0008147900000000, 0.0207633900000000 ] - [ -0.0015645300000000, 0.0000234100000000, -0.0001547800000000 ] - [ -0.0030076300000000, -0.0002239400000000, -0.0002733800000000 ] - [ 0.0035906100000000, 0.0000373100000000, 0.0010828900000000 ] - [ 0.0005032600000000, -0.0000586700000000, 0.0024313500000000 ] - [ -0.0040301200000000, -0.0001210900000000, 0.0011042500000000 ] - [ -0.0008154300000000, -0.0000384600000000, -0.0019298100000000 ] - [ -0.0020940400000000, -0.0022645700000000, -0.0071754600000000 ] - [ 0.0025487400000000, 0.0002684900000000, 0.0026704500000000 ] - [ -0.0026969100000000, 0.0002201600000000, 0.0006044900000000 ] - [ -0.0016782200000000, -0.0001034000000000, -0.0015485400000000 ] - [ 0.0084004100000000, -0.0014789700000000, -0.0067161900000000 ] - [ 0.0014541700000000, -0.0004540500000000, 0.0013490700000000 ] - [ -0.0026120400000000, 0.0000273400000000, -0.0004538600000000 ] - [ -0.0011614700000000, 0.0002323100000000, -0.0009539400000000 ] - [ -0.0299918800000000, -0.0108574000000000, -0.0112031100000000 ] - [ 0.0015944000000000, 0.0010827300000000, 0.0006486200000000 ] - [ -0.0020609300000000, 0.0006729600000000, 0.0002397700000000 ] - [ -0.0010909900000000, -0.0006749100000000, -0.0005385800000000 ] - [ -0.0161064000000000, 0.0151297200000000, -0.0014323500000000 ] - [ 0.0040667500000000, 0.0005613800000000, 0.0004870000000000 ] - [ -0.0043451100000000, 0.0005870800000000, 0.0000595300000000 ] - [ -0.0027426300000000, -0.0004524600000000, -0.0003335300000000 ] - [ -0.0014922800000000, -0.0007909000000000, -0.0007396000000000 ] - [ 0.0060002600000000, -0.0002249200000000, 0.0035990100000000 ] - [ 0.0031775400000000, 0.0005471300000000, 0.0032575700000000 ] - [ 0.0054646900000000, 0.0001703300000000, -0.0028141100000000 ] - [ 0.0008021600000000, 0.0000938000000000, -0.0020773300000000 ] - [ 0.0024575300000000, 0.0055478700000000, 0.0126944400000000 ] - [ 0.0036858700000000, -0.0003091400000000, 0.0006271900000000 ] - [ 0.0045668400000000, 0.0003110000000000, 0.0000517900000000 ] - [ -0.0010113400000000, 0.0006301000000000, -0.0039626500000000 ] - [ -0.1891372900000000, 0.0383240000000000, -0.0701270100000000 ] - [ 0.0031560400000000, 0.0004481200000000, 0.0013872300000000 ] - [ 0.0046820100000000, -0.0004949100000000, 0.0009155800000000 ] - [ -0.0040582400000000, -0.0005603600000000, -0.0026213100000000 ] - [ -0.1994430200000000, 0.0209954400000000, 0.0480474400000000 ] - [ 0.0030360100000000, 0.0003167900000000, 0.0006501100000000 ] - [ 0.0052454500000000, -0.0003615400000000, 0.0001272200000000 ] - [ -0.0044693400000000, -0.0006855300000000, -0.0010878500000000 ] - [ -0.0060767900000000, 0.0083072700000000, 0.0218704000000000 ] - [ 0.0017212600000000, -0.0003206200000000, 0.0016735200000000 ] - [ 0.0045044100000000, 0.0000994000000000, -0.0003147400000000 ] - [ -0.0017751100000000, 0.0005402500000000, -0.0023335900000000 ] - [ -0.0001739100000000, -0.0000467500000000, 0.0014175600000000 ] - [ 0.0045723600000000, 0.0000042700000000, 0.0011904800000000 ] - [ 0.0026319400000000, 0.0000352300000000, 0.0008220400000000 ] - [ 0.0068513800000000, -0.0002981400000000, -0.0037536200000000 ] - [ -0.0115401600000000, 0.0000230300000000, -0.0017223700000000 ] - [ 0.0035255300000000, -0.0000432300000000, -0.0000578900000000 ] - [ 0.0035081100000000, 0.0000453900000000, 0.0008173100000000 ] - [ -0.0150094400000000, 0.0003781700000000, -0.0021704300000000 ] - [ 0.0049667900000000, 0.0005727100000000, -0.0067425900000000 ] - [ 0.0011905600000000, -0.0000891600000000, -0.0014006500000000 ] - [ 0.0061827400000000, -0.0002115400000000, 0.0034209600000000 ] - [ -0.0018598300000000, 0.0002219000000000, 0.0036295000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001710800000000, 0.0002449300000000, -0.0001601200000000 ] - [ -0.0004024000000000, -0.0002295100000000, -0.0005091900000000 ] - [ -0.0002516000000000, -0.0000165500000000, 0.0000543300000000 ] - [ 0.0001132100000000, 0.0000359600000000, 0.0002374100000000 ] - [ -0.0006573200000000, 0.0000056800000000, 0.0002970400000000 ] - [ 0.0001478200000000, 0.0000384500000000, -0.0004277900000000 ] - [ -0.0001425600000000, -0.0001436500000000, -0.0000322700000000 ] - [ -0.0002416500000000, -0.0000553500000000, 0.0002243100000000 ] - [ -0.0026344600000000, 0.0005808500000000, -0.0012472800000000 ] - [ -0.0004131900000000, -0.0001814200000000, -0.0000806600000000 ] - [ -0.0003769700000000, 0.0001563500000000, 0.0000931000000000 ] - [ 0.0002459900000000, 0.0001285600000000, -0.0000368000000000 ] - [ 0.0002325800000000, 0.0005783000000000, -0.0018434100000000 ] - [ -0.0002783300000000, 0.0001102500000000, 0.0001117400000000 ] - [ -0.0002283300000000, -0.0001091900000000, 0.0001452500000000 ] - [ 0.0003920200000000, -0.0000854300000000, 0.0001366700000000 ] - [ 0.0047361400000000, -0.0008992600000000, 0.0045450900000000 ] - [ -0.0000785900000000, 0.0001819700000000, -0.0001877500000000 ] - [ -0.0000852000000000, -0.0001689300000000, -0.0001494500000000 ] - [ 0.0003419000000000, -0.0002506500000000, -0.0001414400000000 ] - [ 0.0828572300000000, -0.0667366400000000, 0.0174590100000000 ] - [ -0.0141707400000000, 0.0174698900000000, -0.0141476300000000 ] - [ -0.0002431900000000, 0.0003349300000000, -0.0000522900000000 ] - [ 0.0002397300000000, 0.0003135000000000, 0.0000191600000000 ] - [ -0.0011262700000000, -0.0067660500000000, -0.0001545400000000 ] - [ -0.0001033300000000, 0.0000335400000000, 0.0001001300000000 ] - [ -0.0002195200000000, -0.0000368300000000, 0.0001728500000000 ] - [ 0.0001856300000000, -0.0000160400000000, -0.0003435500000000 ] - [ 0.0018467100000000, -0.0066067000000000, -0.0009291800000000 ] - [ -0.0003039300000000, -0.0000093700000000, 0.0001240200000000 ] - [ -0.0004014400000000, 0.0000185400000000, 0.0000719500000000 ] - [ 0.0001891000000000, 0.0000716800000000, -0.0003678200000000 ] - [ 0.0001337500000000, 0.0001367300000000, 0.0002981000000000 ] - [ -0.0004094500000000, 0.0000843700000000, 0.0001688100000000 ] - [ -0.0002688700000000, -0.0001542700000000, -0.0000477500000000 ] - [ -0.0005220100000000, 0.0003690200000000, -0.0018067900000000 ] - [ 0.0001078400000000, 0.0000712700000000, 0.0003243100000000 ] - [ 0.0000252800000000, 0.0001523300000000, -0.0001479500000000 ] - [ 0.0001246100000000, -0.0001373300000000, -0.0002229400000000 ] - [ 0.0009136500000000, 0.0031068900000000, 0.0000552700000000 ] - [ 0.0001578400000000, 0.0001818000000000, 0.0000018000000000 ] - [ -0.0003247000000000, 0.0002261600000000, -0.0001014800000000 ] - [ -0.0001667200000000, -0.0001789500000000, -0.0001082500000000 ] - [ 0.0076837700000000, -0.0019400300000000, 0.0018408400000000 ] - [ 0.0002290100000000, 0.0001564900000000, -0.0002075200000000 ] - [ -0.0002610100000000, 0.0001523100000000, 0.0001242800000000 ] - [ -0.0001943200000000, -0.0001591800000000, 0.0001196800000000 ] - [ -0.0184735400000000, 0.0123549900000000, -0.0022246400000000 ] - [ 0.0001875900000000, 0.0001833500000000, -0.0002538200000000 ] - [ -0.0002136300000000, 0.0001815400000000, 0.0001285200000000 ] - [ -0.0000783100000000, -0.0001767800000000, 0.0001008900000000 ] - [ -0.0002238200000000, -0.0003523600000000, -0.0001021900000000 ] - [ 0.0012403500000000, 0.0000768200000000, 0.0005278900000000 ] - [ 0.0002950000000000, 0.0001909600000000, 0.0004091700000000 ] - [ 0.0003742900000000, -0.0000666700000000, -0.0003322600000000 ] - [ -0.0000981900000000, -0.0000570500000000, -0.0000908700000000 ] - [ 0.0002870300000000, -0.0053126100000000, 0.0051951200000000 ] - [ 0.0003666200000000, -0.0000055500000000, 0.0000956100000000 ] - [ 0.0003128200000000, 0.0000002400000000, 0.0000311500000000 ] - [ -0.0002925600000000, 0.0002139100000000, -0.0002017500000000 ] - [ -0.0374707500000000, 0.0306838500000000, -0.0182527500000000 ] - [ 0.0001128400000000, 0.0000776200000000, 0.0004360800000000 ] - [ 0.0002486700000000, -0.0000714500000000, 0.0003400000000000 ] - [ -0.0002428500000000, -0.0001616000000000, -0.0000531900000000 ] - [ -0.0231337800000000, 0.0275804800000000, 0.0063800400000000 ] - [ 0.0004077300000000, 0.0000323600000000, 0.0001052700000000 ] - [ 0.0006160900000000, -0.0000209700000000, 0.0001477600000000 ] - [ -0.0005008900000000, -0.0000275500000000, 0.0001573400000000 ] - [ -0.0014122000000000, -0.0070788000000000, 0.0063759800000000 ] - [ 0.0000845400000000, -0.0000290200000000, 0.0001517500000000 ] - [ 0.0002668400000000, -0.0000241900000000, 0.0000337000000000 ] - [ -0.0001575500000000, 0.0000678700000000, -0.0000672800000000 ] - [ -0.0000188000000000, -0.0000219600000000, 0.0000067300000000 ] - [ 0.0004404600000000, -0.0000125800000000, 0.0003664300000000 ] - [ 0.0001960300000000, 0.0000181700000000, 0.0004774200000000 ] - [ 0.0007211300000000, 0.0000228000000000, -0.0012917100000000 ] - [ -0.0007476900000000, 0.0002265000000000, 0.0003594200000000 ] - [ 0.0003378000000000, -0.0000837200000000, -0.0001457000000000 ] - [ 0.0002800800000000, 0.0000833200000000, -0.0000708200000000 ] - [ -0.0008526600000000, 0.0015855900000000, -0.0008263200000000 ] - [ 0.0007245700000000, -0.0002814100000000, -0.0014386500000000 ] - [ -0.0000446200000000, -0.0000174500000000, -0.0001418000000000 ] - [ 0.0000817200000000, 0.0001242700000000, 0.0000301600000000 ] - [ 0.0001530500000000, 0.0000376700000000, 0.0003660500000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004846800000000, -0.0002719100000000, 0.0004107800000000 ] - [ 0.0000864500000000, 0.0002006900000000, 0.0002581900000000 ] - [ -0.0000630000000000, 0.0000453500000000, -0.0003070800000000 ] - [ 0.0002018700000000, -0.0000083200000000, 0.0000110500000000 ] - [ 0.0002828900000000, 0.0001082800000000, 0.0001831300000000 ] - [ 0.0002254000000000, 0.0000758500000000, -0.0000505300000000 ] - [ 0.0005211200000000, 0.0000291900000000, -0.0004484800000000 ] - [ -0.0001324100000000, -0.0000592000000000, 0.0002528000000000 ] - [ 0.0026058200000000, -0.0008975800000000, 0.0011447900000000 ] - [ 0.0004204100000000, -0.0001483700000000, 0.0001752600000000 ] - [ 0.0003874200000000, 0.0001733200000000, 0.0000012500000000 ] - [ -0.0002576600000000, 0.0002007700000000, -0.0000578600000000 ] - [ -0.0001475000000000, -0.0003114300000000, 0.0015225100000000 ] - [ 0.0001929500000000, 0.0001468700000000, 0.0001942900000000 ] - [ 0.0001441600000000, -0.0001478200000000, 0.0001600200000000 ] - [ -0.0003152600000000, -0.0001725800000000, -0.0004404400000000 ] - [ -0.0048411700000000, 0.0011818600000000, -0.0042513800000000 ] - [ 0.0002315800000000, 0.0000503400000000, -0.0000799500000000 ] - [ 0.0002386500000000, -0.0000638200000000, -0.0001186900000000 ] - [ -0.0004950000000000, 0.0000162300000000, 0.0004109100000000 ] - [ -0.0826488200000000, 0.0665553200000000, -0.0180170000000000 ] - [ 0.0140460100000000, -0.0178650400000000, 0.0139444800000000 ] - [ 0.0000983300000000, 0.0002582500000000, 0.0000150600000000 ] - [ -0.0000952400000000, 0.0002801900000000, 0.0000192500000000 ] - [ 0.0010121400000000, 0.0067999000000000, -0.0001159500000000 ] - [ 0.0002514300000000, 0.0000436800000000, 0.0001816900000000 ] - [ 0.0003674700000000, -0.0000404300000000, 0.0001088900000000 ] - [ -0.0003330700000000, -0.0000606200000000, 0.0000643000000000 ] - [ -0.0016293200000000, 0.0065715800000000, 0.0006504400000000 ] - [ 0.0000250600000000, -0.0000255500000000, 0.0001779800000000 ] - [ 0.0001248400000000, 0.0000171900000000, 0.0002266100000000 ] - [ 0.0000875900000000, -0.0000361900000000, 0.0000743100000000 ] - [ 0.0000864600000000, 0.0002115900000000, -0.0004599400000000 ] - [ 0.0001800500000000, 0.0002634500000000, -0.0000051500000000 ] - [ 0.0000521200000000, -0.0001945600000000, 0.0002134200000000 ] - [ 0.0007580600000000, -0.0007257500000000, 0.0016449700000000 ] - [ -0.0007381500000000, 0.0001910700000000, 0.0001067400000000 ] - [ 0.0006019000000000, 0.0001097200000000, -0.0002783300000000 ] - [ 0.0005069300000000, -0.0001250500000000, -0.0002027900000000 ] - [ -0.0015074800000000, -0.0033695700000000, 0.0004184700000000 ] - [ -0.0001089100000000, 0.0002461600000000, 0.0000450300000000 ] - [ 0.0002738400000000, 0.0002023300000000, 0.0000567500000000 ] - [ 0.0001208300000000, -0.0002508400000000, 0.0000691400000000 ] - [ -0.0076439700000000, 0.0014697000000000, -0.0018011900000000 ] - [ -0.0000854700000000, 0.0000668200000000, -0.0001186000000000 ] - [ 0.0001163500000000, 0.0000701500000000, 0.0002043000000000 ] - [ 0.0000507700000000, -0.0000620900000000, 0.0002144900000000 ] - [ 0.0189031500000000, -0.0127056700000000, 0.0018852200000000 ] - [ -0.0006471500000000, 0.0001053500000000, -0.0000265500000000 ] - [ 0.0006720300000000, 0.0001073700000000, 0.0001546700000000 ] - [ 0.0005381300000000, -0.0001120600000000, 0.0001837300000000 ] - [ 0.0000784900000000, -0.0002402800000000, 0.0000656300000000 ] - [ -0.0012036200000000, 0.0000803200000000, -0.0003637700000000 ] - [ -0.0003273800000000, -0.0000337500000000, -0.0005753300000000 ] - [ -0.0004099500000000, -0.0000911200000000, 0.0001701000000000 ] - [ 0.0001336900000000, -0.0000993600000000, 0.0002595600000000 ] - [ -0.0001478500000000, 0.0053023700000000, -0.0052237500000000 ] - [ -0.0004891500000000, 0.0000655900000000, -0.0000305800000000 ] - [ -0.0004378200000000, -0.0000603100000000, 0.0000347200000000 ] - [ 0.0004203500000000, -0.0002725800000000, 0.0001314300000000 ] - [ 0.0380846500000000, -0.0311473300000000, 0.0177727400000000 ] - [ -0.0005574000000000, -0.0000157300000000, 0.0001756600000000 ] - [ -0.0006926100000000, 0.0000090100000000, 0.0002729300000000 ] - [ 0.0006879200000000, 0.0000984300000000, -0.0005628700000000 ] - [ 0.0220840800000000, -0.0271835900000000, -0.0061440200000000 ] - [ -0.0002416500000000, -0.0000130100000000, 0.0000172700000000 ] - [ -0.0004482500000000, 0.0000016800000000, -0.0000170900000000 ] - [ 0.0003343400000000, 0.0000080900000000, -0.0002936300000000 ] - [ 0.0017651300000000, 0.0071003500000000, -0.0064596600000000 ] - [ -0.0005024500000000, 0.0000060200000000, -0.0000809700000000 ] - [ -0.0006746500000000, 0.0000483600000000, 0.0000445100000000 ] - [ 0.0005737900000000, -0.0000449200000000, -0.0000164400000000 ] - [ 0.0000731600000000, -0.0000093200000000, -0.0007668000000000 ] - [ -0.0004946500000000, -0.0000194500000000, 0.0003919300000000 ] - [ -0.0002496300000000, 0.0000131500000000, 0.0002827700000000 ] - [ -0.0006613800000000, 0.0000096800000000, 0.0005314100000000 ] - [ 0.0008028900000000, -0.0004010100000000, -0.0000521700000000 ] - [ -0.0004015500000000, -0.0000943400000000, -0.0001714100000000 ] - [ -0.0003462600000000, 0.0000945400000000, -0.0002454900000000 ] - [ 0.0009573900000000, -0.0013961900000000, 0.0010662300000000 ] - [ -0.0002629900000000, 0.0002697400000000, 0.0015119000000000 ] - [ -0.0004105700000000, -0.0000007400000000, 0.0000725700000000 ] - [ -0.0005412300000000, -0.0001079800000000, -0.0000917200000000 ] - [ 0.0002978500000000, -0.0000204500000000, -0.0003106800000000 ]- atom: 21 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0008018600000000, -0.0001625400000000, 0.0001395300000000 ] - [ 0.0003828000000000, 0.0002070600000000, 0.0001899100000000 ] - [ -0.0007524300000000, 0.0000674400000000, 0.0000812000000000 ] - [ -0.0003842700000000, -0.0000096900000000, 0.0003779300000000 ] - [ 0.0003548900000000, 0.0001650000000000, -0.0008459600000000 ] - [ 0.0004142400000000, 0.0000751300000000, 0.0002734400000000 ] - [ -0.0011220800000000, -0.0001116100000000, -0.0002660000000000 ] - [ -0.0007073200000000, 0.0000374700000000, 0.0009814700000000 ] - [ 0.0049390800000000, 0.0008292400000000, -0.0007618800000000 ] - [ 0.0003111200000000, -0.0001248600000000, 0.0002716400000000 ] - [ -0.0010628000000000, 0.0001680900000000, -0.0000981100000000 ] - [ -0.0020961800000000, 0.0002942500000000, 0.0010325400000000 ] - [ 0.0010297800000000, 0.0011544700000000, 0.0020101300000000 ] - [ -0.0002001100000000, 0.0001015300000000, 0.0000995800000000 ] - [ -0.0002264700000000, -0.0001228800000000, 0.0001759400000000 ] - [ -0.0029269700000000, -0.0009748200000000, 0.0013240900000000 ] - [ 0.0161595700000000, 0.0059673800000000, 0.0104661300000000 ] - [ 0.0000623800000000, 0.0000740600000000, 0.0000644400000000 ] - [ -0.0001567800000000, -0.0002561400000000, -0.0003868500000000 ] - [ -0.0021340900000000, 0.0001322800000000, 0.0041820900000000 ] - [ 0.0490581300000000, 0.0050457500000000, -0.1325131800000000 ] - [ 0.0090335800000000, -0.0056417400000000, -0.0022027500000000 ] - [ -0.0003375800000000, 0.0004460900000000, -0.0002972300000000 ] - [ -0.0002105500000000, 0.0010550400000000, 0.0023454500000000 ] - [ -0.0154940900000000, 0.0009783400000000, -0.0079529000000000 ] - [ -0.0000510200000000, 0.0000450700000000, 0.0003345200000000 ] - [ -0.0001525600000000, -0.0000253800000000, -0.0000740900000000 ] - [ -0.0004077300000000, 0.0001043100000000, 0.0026228100000000 ] - [ -0.0213342500000000, -0.0008727900000000, 0.0111597300000000 ] - [ -0.0004372900000000, 0.0000672800000000, 0.0007049700000000 ] - [ 0.0000336100000000, 0.0001201300000000, -0.0005791300000000 ] - [ 0.0021363000000000, 0.0003701000000000, 0.0044225500000000 ] - [ -0.0004747700000000, 0.0000989600000000, 0.0015767300000000 ] - [ -0.0029682200000000, -0.0001128200000000, -0.0000670100000000 ] - [ 0.0009575600000000, -0.0002565200000000, 0.0003322300000000 ] - [ 0.0020084900000000, 0.0002188400000000, -0.0016825700000000 ] - [ -0.0016157000000000, 0.0000222000000000, 0.0029754900000000 ] - [ -0.0007417800000000, 0.0000971200000000, -0.0001578300000000 ] - [ 0.0006850900000000, -0.0001398200000000, -0.0001134800000000 ] - [ 0.0061936800000000, 0.0004602700000000, 0.0005438900000000 ] - [ 0.0001778900000000, -0.0006461500000000, 0.0025882700000000 ] - [ -0.0009295900000000, -0.0000956200000000, -0.0010884200000000 ] - [ 0.0004571000000000, -0.0003664400000000, 0.0006341200000000 ] - [ 0.0091177100000000, 0.0014067500000000, -0.0066673800000000 ] - [ 0.0000508000000000, 0.0010893000000000, 0.0025995000000000 ] - [ -0.0004260200000000, 0.0003755600000000, -0.0008941600000000 ] - [ -0.0000145100000000, 0.0000176000000000, 0.0008926600000000 ] - [ -0.0010423100000000, 0.0031890700000000, -0.0106665500000000 ] - [ -0.0002079500000000, 0.0003192700000000, 0.0026418900000000 ] - [ -0.0003784800000000, 0.0001975600000000, -0.0002214600000000 ] - [ 0.0002546300000000, -0.0001489200000000, 0.0004051300000000 ] - [ -0.0000549100000000, -0.0002232900000000, 0.0001609200000000 ] - [ -0.0028885300000000, 0.0001013100000000, 0.0003515800000000 ] - [ -0.0005805400000000, -0.0001062600000000, -0.0006234500000000 ] - [ 0.0013818800000000, -0.0001246500000000, -0.0002996600000000 ] - [ 0.0017554800000000, -0.0000767000000000, -0.0004922500000000 ] - [ -0.0047524000000000, -0.0071207000000000, -0.0020893700000000 ] - [ -0.0002419800000000, 0.0000206700000000, -0.0001467300000000 ] - [ 0.0007506500000000, 0.0000070500000000, 0.0002467900000000 ] - [ 0.0025131600000000, -0.0006623000000000, -0.0040531000000000 ] - [ 0.0381053200000000, -0.0128698600000000, 0.0586284100000000 ] - [ -0.0001538600000000, -0.0000000700000000, -0.0000851600000000 ] - [ 0.0003271100000000, -0.0001342900000000, 0.0008465600000000 ] - [ 0.0005649700000000, 0.0000327000000000, -0.0057254500000000 ] - [ -0.0779454000000000, 0.0083609700000000, 0.0607452800000000 ] - [ -0.0000219800000000, 0.0000528900000000, -0.0009845500000000 ] - [ 0.0008060200000000, -0.0000268600000000, 0.0015091600000000 ] - [ -0.0000559200000000, -0.0006184000000000, -0.0053656600000000 ] - [ -0.0069693100000000, -0.0022983500000000, 0.0086911900000000 ] - [ -0.0011057100000000, 0.0000167000000000, -0.0008404700000000 ] - [ 0.0019160700000000, 0.0002228200000000, 0.0015148500000000 ] - [ 0.0015232100000000, 0.0003380700000000, -0.0043870600000000 ] - [ -0.0003957800000000, -0.0000179900000000, -0.0027124100000000 ] - [ 0.0002953600000000, -0.0000151500000000, 0.0011589800000000 ] - [ 0.0002453300000000, 0.0000145900000000, -0.0001661000000000 ] - [ 0.0020030300000000, -0.0000135400000000, 0.0021982600000000 ] - [ -0.0010281700000000, 0.0002609200000000, -0.0066210200000000 ] - [ 0.0004981000000000, -0.0001012800000000, -0.0001906300000000 ] - [ -0.0000373000000000, 0.0000719100000000, -0.0001090700000000 ] - [ -0.0037364500000000, -0.0008000300000000, 0.0103527800000000 ] - [ 0.0043124800000000, 0.0006768400000000, -0.0000638900000000 ] - [ 0.0006406200000000, -0.0000438300000000, -0.0013800900000000 ] - [ -0.0012689400000000, 0.0000536200000000, 0.0008209100000000 ] - [ -0.0020279900000000, 0.0000932000000000, -0.0018025600000000 ]- atom: 21 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0004840700000000, 0.0001311700000000, 0.0001159200000000 ] - [ -0.0006959200000000, -0.0002326300000000, -0.0004328200000000 ] - [ 0.0004359400000000, -0.0000360000000000, -0.0003385800000000 ] - [ 0.0006956800000000, 0.0000359100000000, -0.0001334700000000 ] - [ -0.0007251200000000, -0.0000503900000000, 0.0013261500000000 ] - [ -0.0000424400000000, 0.0000395500000000, -0.0007475200000000 ] - [ 0.0015041200000000, -0.0000014400000000, -0.0002204800000000 ] - [ 0.0003272800000000, -0.0001509900000000, -0.0005012800000000 ] - [ -0.0049273200000000, -0.0011679200000000, 0.0006790400000000 ] - [ -0.0003016700000000, -0.0002048300000000, -0.0001742400000000 ] - [ 0.0010721000000000, 0.0001623300000000, 0.0001911000000000 ] - [ 0.0020639700000000, 0.0000379100000000, -0.0011255200000000 ] - [ -0.0009457700000000, -0.0008975800000000, -0.0022901300000000 ] - [ 0.0001168800000000, 0.0001565100000000, 0.0002060200000000 ] - [ 0.0001420400000000, -0.0001346600000000, 0.0001280300000000 ] - [ 0.0029801900000000, 0.0007088200000000, -0.0016402400000000 ] - [ -0.0165090900000000, -0.0058023900000000, -0.0103171900000000 ] - [ 0.0000917500000000, 0.0001570500000000, -0.0003310700000000 ] - [ 0.0003101700000000, 0.0000241300000000, 0.0001190000000000 ] - [ 0.0019518200000000, -0.0003525100000000, -0.0038845700000000 ] - [ -0.0507429400000000, -0.0050586900000000, 0.1304323200000000 ] - [ -0.0088737300000000, 0.0050510000000000, 0.0023451500000000 ] - [ 0.0001936300000000, 0.0001474200000000, 0.0002613700000000 ] - [ 0.0003485100000000, -0.0004593700000000, -0.0022986700000000 ] - [ 0.0153092700000000, -0.0009185200000000, 0.0076202200000000 ] - [ 0.0002006300000000, 0.0000320400000000, -0.0000531300000000 ] - [ 0.0003039100000000, -0.0000515300000000, 0.0003548200000000 ] - [ 0.0002488800000000, -0.0001812100000000, -0.0028864400000000 ] - [ 0.0219490400000000, 0.0008726400000000, -0.0116680600000000 ] - [ 0.0001606500000000, -0.0001022000000000, -0.0004028900000000 ] - [ -0.0003140300000000, -0.0000852400000000, 0.0008810400000000 ] - [ -0.0018318500000000, -0.0003330400000000, -0.0046978400000000 ] - [ 0.0007012500000000, 0.0002477400000000, -0.0017325900000000 ] - [ 0.0027482000000000, 0.0004610700000000, 0.0002337000000000 ] - [ -0.0011734600000000, -0.0000913600000000, -0.0001734500000000 ] - [ -0.0017806000000000, -0.0005721200000000, 0.0014939600000000 ] - [ 0.0009828400000000, 0.0002393700000000, -0.0025434200000000 ] - [ 0.0013715500000000, 0.0001656900000000, -0.0002640700000000 ] - [ -0.0000546200000000, -0.0001225100000000, -0.0003136100000000 ] - [ -0.0067687800000000, -0.0007198100000000, -0.0001363000000000 ] - [ -0.0001262300000000, 0.0010721400000000, -0.0025355500000000 ] - [ 0.0008808000000000, 0.0005272100000000, 0.0010507400000000 ] - [ -0.0005012400000000, -0.0000630700000000, -0.0006735700000000 ] - [ -0.0091013300000000, -0.0018298300000000, 0.0066679300000000 ] - [ 0.0000952700000000, -0.0008609300000000, -0.0029219200000000 ] - [ 0.0002822000000000, -0.0001539500000000, 0.0012298800000000 ] - [ -0.0001270200000000, -0.0002394000000000, -0.0005597600000000 ] - [ 0.0011188800000000, -0.0033932600000000, 0.0103307200000000 ] - [ -0.0002523500000000, -0.0000296100000000, -0.0029091900000000 ] - [ 0.0008379800000000, 0.0000918400000000, 0.0005037900000000 ] - [ 0.0002075300000000, -0.0001399500000000, -0.0001237100000000 ] - [ -0.0000888500000000, -0.0003691100000000, -0.0001952800000000 ] - [ 0.0029059000000000, 0.0000553400000000, -0.0001939300000000 ] - [ 0.0005474800000000, 0.0002616900000000, 0.0004484000000000 ] - [ -0.0014167300000000, -0.0000343300000000, 0.0001466200000000 ] - [ -0.0017044600000000, -0.0000794400000000, 0.0006673900000000 ] - [ 0.0048458300000000, 0.0072045000000000, 0.0019586000000000 ] - [ 0.0001146200000000, 0.0000395600000000, 0.0002126200000000 ] - [ -0.0008765700000000, -0.0000664900000000, -0.0001783600000000 ] - [ -0.0023585000000000, 0.0005909000000000, 0.0039759900000000 ] - [ -0.0380863800000000, 0.0129995100000000, -0.0585846300000000 ] - [ -0.0002919800000000, 0.0000626300000000, 0.0006967800000000 ] - [ -0.0007720400000000, 0.0000710000000000, -0.0002324400000000 ] - [ -0.0001111600000000, -0.0000917600000000, 0.0050766800000000 ] - [ 0.0796776400000000, -0.0086311600000000, -0.0603643900000000 ] - [ 0.0001834000000000, -0.0000339800000000, 0.0011106700000000 ] - [ -0.0006395200000000, 0.0000081300000000, -0.0013837200000000 ] - [ -0.0001132000000000, 0.0005949700000000, 0.0052114700000000 ] - [ 0.0073413000000000, 0.0022999100000000, -0.0086594700000000 ] - [ 0.0006889400000000, -0.0000401700000000, 0.0009161400000000 ] - [ -0.0023264800000000, -0.0002001500000000, -0.0014458900000000 ] - [ -0.0011155200000000, -0.0003120500000000, 0.0042984600000000 ] - [ 0.0004565300000000, -0.0000128500000000, 0.0019408000000000 ] - [ -0.0003541500000000, -0.0000166600000000, -0.0003996400000000 ] - [ -0.0002981600000000, 0.0000166200000000, 0.0009243300000000 ] - [ -0.0019587500000000, 0.0000466800000000, -0.0029319300000000 ] - [ 0.0011092600000000, -0.0004388900000000, 0.0069257200000000 ] - [ -0.0005659500000000, -0.0000759700000000, -0.0001273300000000 ] - [ -0.0000288000000000, 0.0001053900000000, -0.0002054000000000 ] - [ 0.0035512800000000, 0.0009026900000000, -0.0091686200000000 ] - [ -0.0038518900000000, -0.0006973700000000, 0.0001121100000000 ] - [ -0.0011018700000000, 0.0000254200000000, 0.0013108000000000 ] - [ 0.0008247500000000, -0.0000360400000000, -0.0008771200000000 ] - [ 0.0024606700000000, -0.0000731100000000, 0.0018749400000000 ]- atom: 22 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0027208300000000, -0.0022190300000000, 0.0024292800000000 ] - [ 0.0012410400000000, 0.0016455600000000, 0.0029467800000000 ] - [ 0.0002444500000000, 0.0002061100000000, -0.0011866500000000 ] - [ 0.0002604000000000, -0.0001893000000000, -0.0005524000000000 ] - [ 0.0027201900000000, 0.0004581300000000, -0.0004268400000000 ] - [ -0.0003576300000000, 0.0002535100000000, 0.0012121600000000 ] - [ 0.0013362200000000, 0.0001533500000000, -0.0012716200000000 ] - [ -0.0002612400000000, -0.0000572800000000, 0.0000047700000000 ] - [ 0.0273403900000000, -0.0112294600000000, 0.0167618200000000 ] - [ 0.0019881500000000, -0.0000512100000000, 0.0010027400000000 ] - [ 0.0014946600000000, 0.0002047300000000, -0.0002929000000000 ] - [ -0.0012441300000000, 0.0002095400000000, -0.0003783000000000 ] - [ -0.0080921400000000, 0.0007058600000000, -0.0021996500000000 ] - [ 0.0010879700000000, 0.0002034900000000, 0.0004160900000000 ] - [ 0.0007414800000000, -0.0002207800000000, 0.0001030700000000 ] - [ -0.0017956700000000, -0.0002186600000000, -0.0014743000000000 ] - [ -0.0142948100000000, -0.0010710300000000, -0.0005282000000000 ] - [ 0.0008048500000000, -0.0002174200000000, 0.0002183100000000 ] - [ 0.0007704300000000, 0.0000716500000000, -0.0001818500000000 ] - [ -0.0009295800000000, 0.0003673300000000, -0.0001727100000000 ] - [ 0.0043376500000000, -0.0143230400000000, 0.0096671000000000 ] - [ -0.0965543800000000, 0.0384845500000000, -0.0753111200000000 ] - [ 0.0006641000000000, 0.0001745400000000, 0.0000112000000000 ] - [ -0.0006289100000000, -0.0000025800000000, -0.0005298900000000 ] - [ -0.0058271900000000, 0.0092055700000000, -0.0083914900000000 ] - [ 0.0007805200000000, 0.0000630300000000, 0.0004057200000000 ] - [ 0.0014955200000000, -0.0000409600000000, -0.0000919900000000 ] - [ -0.0013040000000000, -0.0001303700000000, -0.0004000800000000 ] - [ 0.0025272800000000, -0.0006216800000000, -0.0020439800000000 ] - [ 0.0006668200000000, -0.0000533400000000, 0.0003334300000000 ] - [ 0.0009076600000000, 0.0000817500000000, 0.0003297100000000 ] - [ -0.0003336400000000, 0.0000127100000000, -0.0000332700000000 ] - [ 0.0006359500000000, 0.0001840200000000, -0.0007035900000000 ] - [ 0.0015419000000000, 0.0003101800000000, -0.0000294100000000 ] - [ 0.0006152900000000, -0.0002560100000000, 0.0005860400000000 ] - [ 0.0014865000000000, -0.0000488600000000, 0.0013889700000000 ] - [ -0.0002587100000000, 0.0001500700000000, -0.0008757000000000 ] - [ 0.0016461100000000, 0.0001027000000000, -0.0003839100000000 ] - [ 0.0012384700000000, -0.0001266800000000, 0.0000631600000000 ] - [ -0.0006852800000000, -0.0000295800000000, 0.0026722400000000 ] - [ -0.0000385800000000, 0.0004170000000000, -0.0002724400000000 ] - [ 0.0010531300000000, 0.0003285600000000, 0.0003332000000000 ] - [ 0.0006718100000000, -0.0003697200000000, 0.0003729600000000 ] - [ 0.0018394300000000, 0.0005984500000000, 0.0016826300000000 ] - [ -0.0001438400000000, -0.0001056000000000, -0.0004312900000000 ] - [ 0.0007082200000000, -0.0001381000000000, 0.0003030500000000 ] - [ 0.0004776200000000, 0.0001317900000000, 0.0004077500000000 ] - [ 0.0033249000000000, -0.0007902700000000, 0.0015622000000000 ] - [ -0.0015900500000000, -0.0000219100000000, -0.0006264300000000 ] - [ 0.0021318400000000, -0.0000249800000000, 0.0001603300000000 ] - [ 0.0016500100000000, 0.0000055400000000, 0.0003722000000000 ] - [ 0.0006419400000000, 0.0000061200000000, 0.0004719600000000 ] - [ -0.0100760400000000, -0.0008156000000000, -0.0029952700000000 ] - [ -0.0009539500000000, -0.0005678300000000, -0.0040008500000000 ] - [ -0.0015878200000000, -0.0001367100000000, 0.0013169700000000 ] - [ 0.0008020900000000, -0.0001470600000000, 0.0013079200000000 ] - [ 0.0603245900000000, -0.0362045100000000, 0.0580247600000000 ] - [ -0.0021636100000000, 0.0002127600000000, -0.0004168200000000 ] - [ -0.0016066500000000, -0.0001490500000000, 0.0002137200000000 ] - [ 0.0015234900000000, -0.0003971800000000, 0.0009862900000000 ] - [ 0.0388661200000000, 0.0150133600000000, -0.0044357200000000 ] - [ -0.0017252500000000, -0.0001996300000000, -0.0004810700000000 ] - [ -0.0023363300000000, 0.0001213700000000, 0.0003625400000000 ] - [ 0.0020478700000000, 0.0002848000000000, 0.0003419800000000 ] - [ -0.0085979800000000, -0.0005323400000000, 0.0003453100000000 ] - [ -0.0014359700000000, -0.0001090000000000, -0.0001880200000000 ] - [ -0.0019677400000000, 0.0001147900000000, -0.0000903800000000 ] - [ 0.0009734500000000, 0.0001270600000000, -0.0000452300000000 ] - [ -0.0017002400000000, 0.0001604900000000, -0.0047409300000000 ] - [ -0.0013837500000000, 0.0000817800000000, -0.0004736500000000 ] - [ -0.0021996000000000, -0.0000612200000000, -0.0001461300000000 ] - [ -0.0001830900000000, -0.0001248500000000, 0.0007653100000000 ] - [ 0.0019127900000000, -0.0000350800000000, -0.0011898700000000 ] - [ -0.0023610100000000, -0.0000394000000000, 0.0007500400000000 ] - [ -0.0007332900000000, -0.0000052300000000, -0.0001272100000000 ] - [ -0.0022671500000000, 0.0003247600000000, 0.0051819900000000 ] - [ 0.0021128500000000, 0.0008850800000000, 0.0046129100000000 ] - [ -0.0017486500000000, -0.0001146400000000, -0.0003044200000000 ] - [ -0.0014169800000000, 0.0001026900000000, -0.0004669100000000 ] - [ 0.0044924300000000, 0.0001774500000000, -0.0016224600000000 ] - [ -0.0025597100000000, -0.0000975100000000, 0.0015682100000000 ] - [ -0.0013090600000000, 0.0000259400000000, 0.0002568400000000 ] - [ -0.0020964700000000, -0.0000272200000000, -0.0007199000000000 ] - [ -0.0000993300000000, -0.0000462700000000, -0.0010188100000000 ]- atom: 22 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0024269900000000, 0.0022131300000000, -0.0021943000000000 ] - [ -0.0015638400000000, -0.0016870600000000, -0.0032214700000000 ] - [ -0.0005586600000000, -0.0001791100000000, 0.0009406900000000 ] - [ 0.0000562600000000, 0.0002187500000000, 0.0008059200000000 ] - [ -0.0031093600000000, -0.0003479700000000, 0.0009141300000000 ] - [ 0.0007416700000000, -0.0001409900000000, -0.0016987400000000 ] - [ -0.0009568300000000, -0.0002674100000000, 0.0007966800000000 ] - [ -0.0001082300000000, -0.0000572700000000, 0.0004767100000000 ] - [ -0.0278837700000000, 0.0111621400000000, -0.0171895100000000 ] - [ -0.0019837800000000, -0.0002800100000000, -0.0009144000000000 ] - [ -0.0014833000000000, 0.0001253100000000, 0.0003897800000000 ] - [ 0.0012407700000000, 0.0001207200000000, 0.0002872400000000 ] - [ 0.0082163100000000, -0.0004658100000000, 0.0019541600000000 ] - [ -0.0011733800000000, 0.0000545800000000, -0.0001139800000000 ] - [ -0.0008243100000000, -0.0000368600000000, 0.0002012900000000 ] - [ 0.0018814300000000, -0.0000395200000000, 0.0011716800000000 ] - [ 0.0142044300000000, 0.0014308400000000, 0.0008426100000000 ] - [ -0.0006519800000000, 0.0004505300000000, -0.0004866700000000 ] - [ -0.0006166600000000, -0.0003040800000000, -0.0000829200000000 ] - [ 0.0007752500000000, -0.0006009500000000, 0.0004422800000000 ] - [ -0.0047783000000000, 0.0139006300000000, -0.0098419800000000 ] - [ 0.0964947500000000, -0.0412087900000000, 0.0769030400000000 ] - [ -0.0008079600000000, 0.0004179800000000, -0.0000453800000000 ] - [ 0.0007724800000000, 0.0005968100000000, 0.0005694200000000 ] - [ 0.0057145200000000, -0.0091654800000000, 0.0081644200000000 ] - [ -0.0006301600000000, 0.0000140200000000, -0.0001250900000000 ] - [ -0.0013486600000000, -0.0000362600000000, 0.0003755800000000 ] - [ 0.0011536000000000, 0.0000529500000000, 0.0001271200000000 ] - [ -0.0022425100000000, 0.0005746300000000, 0.0017394100000000 ] - [ -0.0009453300000000, 0.0000178700000000, -0.0000325400000000 ] - [ -0.0011851800000000, -0.0000460700000000, -0.0000279300000000 ] - [ 0.0006080000000000, 0.0000229600000000, -0.0002663400000000 ] - [ -0.0004163600000000, 0.0001639800000000, 0.0005381300000000 ] - [ -0.0017644600000000, 0.0000374900000000, 0.0001920800000000 ] - [ -0.0008399400000000, -0.0000914800000000, -0.0004215300000000 ] - [ -0.0012632700000000, -0.0002998700000000, -0.0015489500000000 ] - [ -0.0003797400000000, 0.0001118000000000, 0.0012985300000000 ] - [ -0.0010158100000000, 0.0001596700000000, -0.0000420300000000 ] - [ -0.0006083300000000, -0.0001358800000000, -0.0004875300000000 ] - [ 0.0000495600000000, -0.0002335000000000, -0.0022421500000000 ] - [ 0.0000845200000000, 0.0000133400000000, 0.0003141400000000 ] - [ -0.0011025300000000, 0.0001016500000000, -0.0003746300000000 ] - [ -0.0007210000000000, -0.0000600900000000, -0.0004144200000000 ] - [ -0.0017954400000000, -0.0010278700000000, -0.0016390000000000 ] - [ 0.0002845900000000, 0.0003275200000000, 0.0000983300000000 ] - [ -0.0008516000000000, 0.0003606200000000, 0.0000303300000000 ] - [ -0.0006212200000000, -0.0003547600000000, -0.0000739900000000 ] - [ -0.0031697200000000, 0.0005740900000000, -0.0018850000000000 ] - [ 0.0011239400000000, 0.0003109900000000, 0.0003479500000000 ] - [ -0.0016726100000000, 0.0003142800000000, 0.0001220000000000 ] - [ -0.0011903000000000, -0.0002949100000000, -0.0000909900000000 ] - [ -0.0007871100000000, -0.0005999100000000, -0.0005097500000000 ] - [ 0.0101482900000000, 0.0009845800000000, 0.0031678500000000 ] - [ 0.0009154200000000, 0.0007282000000000, 0.0038594200000000 ] - [ 0.0015516500000000, -0.0000204500000000, -0.0014869500000000 ] - [ -0.0007749500000000, -0.0000095600000000, -0.0011471300000000 ] - [ -0.0599263400000000, 0.0370569700000000, -0.0593514900000000 ] - [ 0.0020440200000000, -0.0001533000000000, 0.0004859500000000 ] - [ 0.0014808400000000, 0.0000890800000000, -0.0001497200000000 ] - [ -0.0014020000000000, 0.0003373500000000, -0.0010541800000000 ] - [ -0.0381471400000000, -0.0138284800000000, 0.0036037000000000 ] - [ 0.0012809200000000, 0.0002621700000000, 0.0010965700000000 ] - [ 0.0018935800000000, -0.0001837400000000, 0.0002469900000000 ] - [ -0.0015952400000000, -0.0003474500000000, -0.0009597800000000 ] - [ 0.0084558900000000, 0.0005456800000000, -0.0004906500000000 ] - [ 0.0016040700000000, 0.0001278200000000, 0.0003148100000000 ] - [ 0.0021353700000000, -0.0001336500000000, 0.0002166600000000 ] - [ -0.0011323900000000, -0.0001453400000000, -0.0000820600000000 ] - [ 0.0021146400000000, -0.0001783100000000, 0.0046557900000000 ] - [ 0.0009718100000000, -0.0001046500000000, 0.0005483400000000 ] - [ 0.0017870100000000, 0.0000841500000000, 0.0002209000000000 ] - [ 0.0006034500000000, 0.0001472600000000, -0.0008394200000000 ] - [ -0.0018817600000000, 0.0000041300000000, 0.0004200000000000 ] - [ 0.0023118500000000, 0.0000081800000000, 0.0000048000000000 ] - [ 0.0006756200000000, 0.0000365400000000, 0.0008888200000000 ] - [ 0.0022865800000000, -0.0002945700000000, -0.0059573200000000 ] - [ -0.0020103400000000, -0.0010562600000000, -0.0042874800000000 ] - [ 0.0016854400000000, -0.0000629500000000, -0.0000107600000000 ] - [ 0.0013514600000000, 0.0000748500000000, 0.0001507100000000 ] - [ -0.0044167200000000, 0.0000000800000000, 0.0019431100000000 ] - [ 0.0030102300000000, 0.0000791800000000, -0.0014951400000000 ] - [ 0.0008550200000000, -0.0000441400000000, -0.0003210600000000 ] - [ 0.0016405500000000, 0.0000451700000000, 0.0006526800000000 ] - [ 0.0005597100000000, 0.0000640600000000, 0.0010836100000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009902200000000, 0.0007661400000000, -0.0002414600000000 ] - [ -0.0013948900000000, -0.0008914000000000, -0.0013768100000000 ] - [ 0.0000400500000000, 0.0001273300000000, -0.0004231800000000 ] - [ 0.0003520800000000, -0.0000782000000000, -0.0002253400000000 ] - [ -0.0016347200000000, -0.0002029100000000, 0.0014979500000000 ] - [ -0.0000672000000000, -0.0000137500000000, -0.0008692200000000 ] - [ 0.0012525000000000, 0.0000462400000000, -0.0002915000000000 ] - [ -0.0001494300000000, -0.0001158300000000, -0.0003890800000000 ] - [ -0.0160625700000000, 0.0003860300000000, -0.0064078900000000 ] - [ -0.0011154400000000, -0.0002734600000000, -0.0003072000000000 ] - [ 0.0002797500000000, 0.0001756200000000, 0.0000801700000000 ] - [ 0.0007588800000000, 0.0001303500000000, -0.0007009100000000 ] - [ -0.0010863800000000, -0.0000860800000000, -0.0067287300000000 ] - [ -0.0004424700000000, 0.0000949200000000, 0.0002323900000000 ] - [ -0.0001895300000000, -0.0001174600000000, 0.0000060200000000 ] - [ 0.0007891200000000, 0.0001139300000000, -0.0011675000000000 ] - [ 0.0017038200000000, 0.0765199200000000, 0.0021410200000000 ] - [ -0.0002330900000000, 0.0002501500000000, -0.0002666500000000 ] - [ -0.0000210300000000, -0.0001225900000000, -0.0000857200000000 ] - [ 0.0004082200000000, 0.0000271900000000, -0.0010492100000000 ] - [ -0.0130971200000000, 0.0174190300000000, -0.0074330500000000 ] - [ 0.0409611600000000, -0.3508830800000000, 0.1684739200000000 ] - [ -0.0001930300000000, 0.0002834100000000, 0.0000376900000000 ] - [ 0.0003700700000000, 0.0000542500000000, -0.0008756700000000 ] - [ 0.0069566900000000, 0.0176222000000000, -0.0084297200000000 ] - [ -0.0001804000000000, 0.0000294000000000, -0.0000369900000000 ] - [ -0.0003072400000000, -0.0000417800000000, 0.0003203100000000 ] - [ 0.0006228100000000, -0.0000681100000000, -0.0011894600000000 ] - [ -0.0006646700000000, 0.0001865800000000, 0.0021643300000000 ] - [ -0.0003349700000000, -0.0000186800000000, 0.0000329300000000 ] - [ -0.0004893100000000, -0.0000158600000000, 0.0001694700000000 ] - [ 0.0000115400000000, -0.0000618900000000, -0.0012141800000000 ] - [ 0.0002974700000000, 0.0001533800000000, -0.0000053900000000 ] - [ -0.0004280100000000, 0.0001539700000000, 0.0002045100000000 ] - [ -0.0004566400000000, -0.0001359900000000, -0.0001655800000000 ] - [ -0.0005554000000000, -0.0003372600000000, -0.0004437000000000 ] - [ 0.0006464200000000, 0.0001675900000000, 0.0000321700000000 ] - [ -0.0000163900000000, 0.0001440200000000, -0.0001058100000000 ] - [ -0.0000025400000000, -0.0001272000000000, -0.0003647700000000 ] - [ -0.0008872000000000, -0.0001700500000000, -0.0003032100000000 ] - [ 0.0001938800000000, 0.0003196000000000, -0.0003635700000000 ] - [ -0.0002507000000000, 0.0002181700000000, 0.0000170300000000 ] - [ -0.0002968600000000, -0.0001319100000000, -0.0002562500000000 ] - [ -0.0015595700000000, -0.0006867700000000, -0.0002092600000000 ] - [ 0.0002764900000000, 0.0000108900000000, -0.0006478000000000 ] - [ -0.0002771800000000, 0.0001524300000000, 0.0002681200000000 ] - [ -0.0002522400000000, -0.0002150000000000, -0.0000323200000000 ] - [ -0.0012373200000000, 0.0011202100000000, 0.0006996300000000 ] - [ 0.0004435700000000, 0.0001611400000000, -0.0008019300000000 ] - [ -0.0002499500000000, 0.0001833300000000, 0.0002178800000000 ] - [ -0.0002610600000000, -0.0002002100000000, -0.0000070400000000 ] - [ -0.0003735100000000, -0.0004273200000000, -0.0002193500000000 ] - [ 0.0053327100000000, -0.0002640900000000, 0.0001248200000000 ] - [ 0.0009910800000000, 0.0006804800000000, 0.0010712200000000 ] - [ -0.0005974900000000, -0.0001800600000000, 0.0004473400000000 ] - [ -0.0005893800000000, 0.0000215900000000, 0.0007647700000000 ] - [ -0.0369367000000000, 0.0561467200000000, -0.0735931200000000 ] - [ 0.0009766300000000, -0.0000241800000000, 0.0000941300000000 ] - [ -0.0000567500000000, 0.0000036800000000, 0.0000556300000000 ] - [ -0.0008930600000000, 0.0000089800000000, 0.0017650100000000 ] - [ 0.0115289400000000, 0.1820281500000000, -0.0656745600000000 ] - [ 0.0003212200000000, 0.0001272100000000, 0.0006776100000000 ] - [ 0.0002938900000000, -0.0000424400000000, 0.0001381300000000 ] - [ -0.0007845900000000, -0.0000351400000000, 0.0013942000000000 ] - [ 0.0077074800000000, -0.0013227000000000, -0.0046037500000000 ] - [ 0.0005924300000000, 0.0000454600000000, 0.0003015800000000 ] - [ 0.0006115100000000, -0.0000511400000000, -0.0000747500000000 ] - [ -0.0007325600000000, 0.0000575200000000, 0.0010203900000000 ] - [ 0.0013016600000000, 0.0005769800000000, 0.0005501900000000 ] - [ 0.0002555900000000, -0.0000546900000000, 0.0003833100000000 ] - [ 0.0002285300000000, 0.0000208700000000, -0.0001207000000000 ] - [ -0.0004154500000000, -0.0000062100000000, 0.0005456300000000 ] - [ 0.0002366300000000, -0.0000379000000000, 0.0015274300000000 ] - [ 0.0004755100000000, -0.0000088600000000, -0.0003448200000000 ] - [ 0.0002684500000000, 0.0000183900000000, 0.0009685700000000 ] - [ -0.0010007400000000, 0.0009198500000000, -0.0033643000000000 ] - [ -0.0021906200000000, -0.0000482000000000, -0.0002000000000000 ] - [ 0.0004657300000000, -0.0000775300000000, -0.0002154100000000 ] - [ 0.0003783000000000, 0.0000892800000000, 0.0000368400000000 ] - [ 0.0002443000000000, -0.0002512700000000, 0.0032860300000000 ] - [ 0.0003340300000000, 0.0000654000000000, -0.0007569300000000 ] - [ -0.0000792700000000, -0.0000162500000000, -0.0000498400000000 ] - [ 0.0005513700000000, 0.0000068700000000, 0.0001505900000000 ] - [ 0.0005743900000000, 0.0000086300000000, 0.0007346600000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013255100000000, -0.0008100700000000, 0.0005016900000000 ] - [ 0.0010892400000000, 0.0008707700000000, 0.0011324600000000 ] - [ -0.0003558400000000, -0.0001001800000000, 0.0001754900000000 ] - [ -0.0000387500000000, 0.0001083800000000, 0.0004791400000000 ] - [ 0.0012763000000000, 0.0003230400000000, -0.0010309600000000 ] - [ 0.0004453500000000, 0.0001286400000000, 0.0003963300000000 ] - [ -0.0008879600000000, -0.0001607600000000, -0.0001867100000000 ] - [ -0.0002232600000000, 0.0000024800000000, 0.0008755700000000 ] - [ 0.0161992700000000, -0.0008785400000000, 0.0063558600000000 ] - [ 0.0011380600000000, -0.0000553200000000, 0.0004066400000000 ] - [ -0.0002714800000000, 0.0001542600000000, 0.0000147600000000 ] - [ -0.0007770700000000, 0.0002004000000000, 0.0006138500000000 ] - [ 0.0011778700000000, 0.0002039900000000, 0.0065716200000000 ] - [ 0.0003631100000000, 0.0001633300000000, 0.0000723300000000 ] - [ 0.0001076900000000, -0.0001391300000000, 0.0003018800000000 ] - [ -0.0007150300000000, -0.0003729100000000, 0.0008710100000000 ] - [ -0.0019703900000000, -0.0762730600000000, -0.0025120500000000 ] - [ 0.0003903400000000, -0.0000193200000000, -0.0000001200000000 ] - [ 0.0001760200000000, -0.0001090400000000, -0.0001822100000000 ] - [ -0.0005686000000000, -0.0002599700000000, 0.0013303400000000 ] - [ 0.0129166800000000, -0.0179145100000000, 0.0073525300000000 ] - [ -0.0386433600000000, 0.3634187400000000, -0.1703658200000000 ] - [ 0.0000506400000000, 0.0003099800000000, -0.0000743100000000 ] - [ -0.0002301000000000, 0.0005415500000000, 0.0009223300000000 ] - [ -0.0072756100000000, -0.0176460900000000, 0.0083398900000000 ] - [ 0.0003329900000000, 0.0000484300000000, 0.0003202900000000 ] - [ 0.0004610900000000, -0.0000349400000000, -0.0000408200000000 ] - [ -0.0007828100000000, -0.0000102000000000, 0.0009220400000000 ] - [ 0.0009584400000000, -0.0002106200000000, -0.0024945900000000 ] - [ 0.0000595500000000, -0.0000159800000000, 0.0002688200000000 ] - [ 0.0002161600000000, 0.0000521800000000, 0.0001309200000000 ] - [ 0.0002674800000000, 0.0000985100000000, 0.0009261100000000 ] - [ -0.0000772800000000, 0.0001955400000000, -0.0001606300000000 ] - [ 0.0002124900000000, 0.0001953800000000, -0.0000422600000000 ] - [ 0.0002400700000000, -0.0002123300000000, 0.0003334200000000 ] - [ 0.0007863400000000, -0.0000086400000000, 0.0002860300000000 ] - [ -0.0012861000000000, 0.0000953300000000, 0.0003927900000000 ] - [ 0.0006509100000000, 0.0001187200000000, -0.0003210800000000 ] - [ 0.0006361500000000, -0.0001353100000000, -0.0000577200000000 ] - [ 0.0002628800000000, -0.0000912200000000, 0.0007369200000000 ] - [ -0.0001476100000000, 0.0001095200000000, 0.0004081200000000 ] - [ 0.0002057400000000, 0.0002124400000000, -0.0000582500000000 ] - [ 0.0002529500000000, -0.0002983200000000, 0.0002186500000000 ] - [ 0.0016333300000000, 0.0002654000000000, 0.0002562000000000 ] - [ -0.0001352500000000, 0.0002123700000000, 0.0003202100000000 ] - [ 0.0001367200000000, 0.0000693000000000, 0.0000626700000000 ] - [ 0.0001111100000000, -0.0000049800000000, 0.0003673700000000 ] - [ 0.0014003900000000, -0.0013614800000000, -0.0010389800000000 ] - [ -0.0009129000000000, 0.0001271500000000, 0.0005223600000000 ] - [ 0.0007155800000000, 0.0001059400000000, 0.0000643500000000 ] - [ 0.0007268500000000, -0.0000875200000000, 0.0002919900000000 ] - [ 0.0002324800000000, -0.0001634000000000, 0.0001851100000000 ] - [ -0.0053740900000000, 0.0004029700000000, 0.0000312800000000 ] - [ -0.0010349500000000, -0.0005259500000000, -0.0012513700000000 ] - [ 0.0005675300000000, 0.0000253100000000, -0.0006187800000000 ] - [ 0.0006297100000000, -0.0001796600000000, -0.0006065700000000 ] - [ 0.0357313000000000, -0.0552309400000000, 0.0707584900000000 ] - [ -0.0011141200000000, 0.0000853900000000, -0.0000283400000000 ] - [ -0.0000702300000000, -0.0000636600000000, 0.0000093200000000 ] - [ 0.0010306500000000, -0.0000695900000000, -0.0018509700000000 ] - [ -0.0119792500000000, -0.1953458900000000, 0.0697969700000000 ] - [ -0.0007728400000000, -0.0000657800000000, -0.0000690700000000 ] - [ -0.0007452200000000, -0.0000197000000000, 0.0004759900000000 ] - [ 0.0012473600000000, -0.0000260300000000, -0.0020271900000000 ] - [ -0.0079847300000000, 0.0013475700000000, 0.0045207000000000 ] - [ -0.0004331900000000, -0.0000266100000000, -0.0001781100000000 ] - [ -0.0004527700000000, 0.0000333200000000, 0.0002033300000000 ] - [ 0.0005746300000000, -0.0000766800000000, -0.0011588900000000 ] - [ -0.0009030800000000, -0.0006074400000000, -0.0006348700000000 ] - [ -0.0006738000000000, 0.0000328400000000, -0.0003148700000000 ] - [ -0.0006468600000000, 0.0000024300000000, 0.0001954700000000 ] - [ 0.0008326400000000, 0.0000299000000000, -0.0006243100000000 ] - [ -0.0001926000000000, 0.0000062500000000, -0.0023158000000000 ] - [ -0.0005370900000000, -0.0000221900000000, 0.0011121400000000 ] - [ -0.0003278400000000, 0.0000134700000000, -0.0002157200000000 ] - [ 0.0010586600000000, -0.0008809100000000, 0.0026366900000000 ] - [ 0.0022777500000000, -0.0001544100000000, 0.0005419300000000 ] - [ -0.0005376400000000, -0.0000999500000000, -0.0001004300000000 ] - [ -0.0004496900000000, 0.0000889200000000, -0.0003560800000000 ] - [ -0.0001728900000000, 0.0004326200000000, -0.0030121800000000 ] - [ 0.0001176000000000, -0.0000838600000000, 0.0008336300000000 ] - [ -0.0003802200000000, -0.0000014100000000, -0.0000156000000000 ] - [ -0.0010191000000000, 0.0000118400000000, -0.0002201600000000 ] - [ -0.0001220200000000, 0.0000099100000000, -0.0006782100000000 ]- atom: 22 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0017637000000000, -0.0003818300000000, -0.0002379600000000 ] - [ 0.0013612600000000, 0.0002631600000000, -0.0003895700000000 ] - [ -0.0010897100000000, -0.0003229500000000, 0.0017782700000000 ] - [ -0.0003020000000000, 0.0004567800000000, 0.0015791500000000 ] - [ 0.0012261400000000, 0.0004972800000000, -0.0025074900000000 ] - [ 0.0017623800000000, -0.0000304800000000, 0.0002513600000000 ] - [ -0.0026962100000000, -0.0004280700000000, 0.0005326800000000 ] - [ -0.0000224700000000, 0.0000659000000000, 0.0022744300000000 ] - [ 0.0137442400000000, -0.0026080500000000, -0.0042753500000000 ] - [ 0.0018051300000000, -0.0001031500000000, 0.0002738700000000 ] - [ -0.0013709300000000, 0.0001488000000000, 0.0002054500000000 ] - [ -0.0010395900000000, 0.0001752700000000, 0.0021616900000000 ] - [ 0.0059619600000000, -0.0074884800000000, 0.0242242800000000 ] - [ 0.0003410200000000, 0.0001798300000000, -0.0002493400000000 ] - [ -0.0000413600000000, -0.0001048100000000, 0.0006184700000000 ] - [ -0.0009795100000000, -0.0005796400000000, 0.0040534800000000 ] - [ 0.0048511100000000, -0.0013502900000000, -0.0079797000000000 ] - [ 0.0004701900000000, -0.0000340100000000, -0.0000393200000000 ] - [ -0.0000377800000000, -0.0001750800000000, -0.0001696800000000 ] - [ -0.0008384900000000, -0.0009533200000000, 0.0035173400000000 ] - [ 0.0134439800000000, -0.0119265000000000, -0.0017341700000000 ] - [ -0.0588613400000000, 0.1592780800000000, -0.2137328000000000 ] - [ -0.0001558500000000, 0.0003710200000000, -0.0001158700000000 ] - [ -0.0003640800000000, 0.0012300400000000, 0.0030450300000000 ] - [ -0.0095726800000000, -0.0204971900000000, 0.0055151400000000 ] - [ 0.0004227700000000, 0.0000482900000000, 0.0004105400000000 ] - [ 0.0001949300000000, -0.0000309600000000, -0.0001507100000000 ] - [ -0.0013018400000000, -0.0000070300000000, 0.0033839700000000 ] - [ -0.0003117400000000, 0.0005695200000000, -0.0050212300000000 ] - [ -0.0001227600000000, 0.0000108200000000, 0.0003500000000000 ] - [ 0.0002485400000000, 0.0000716400000000, 0.0000134600000000 ] - [ 0.0002953400000000, 0.0002176200000000, 0.0023853100000000 ] - [ -0.0008978100000000, 0.0002582600000000, -0.0001090600000000 ] - [ -0.0002032000000000, 0.0001579900000000, -0.0002611500000000 ] - [ 0.0003292600000000, -0.0002256200000000, 0.0005264100000000 ] - [ 0.0014808700000000, -0.0000030000000000, 0.0003815500000000 ] - [ -0.0033691000000000, -0.0000254400000000, 0.0009944300000000 ] - [ 0.0004324600000000, 0.0001096200000000, -0.0004483200000000 ] - [ 0.0006329200000000, -0.0001434000000000, 0.0000717300000000 ] - [ 0.0020207700000000, -0.0001510600000000, 0.0014722200000000 ] - [ -0.0006136000000000, -0.0001122900000000, 0.0011000900000000 ] - [ -0.0000095200000000, 0.0001250600000000, -0.0003343800000000 ] - [ 0.0003043100000000, -0.0003497300000000, 0.0004067100000000 ] - [ 0.0019868000000000, -0.0001022100000000, -0.0005260500000000 ] - [ -0.0005381000000000, 0.0003860200000000, 0.0012200900000000 ] - [ 0.0000466700000000, 0.0001519200000000, -0.0002060800000000 ] - [ 0.0000808500000000, 0.0000288400000000, 0.0005816800000000 ] - [ 0.0027184900000000, -0.0006568300000000, -0.0017970900000000 ] - [ -0.0017334300000000, 0.0001704600000000, 0.0019918400000000 ] - [ 0.0004255000000000, 0.0001375500000000, -0.0000653600000000 ] - [ 0.0007257800000000, -0.0000848400000000, 0.0003945700000000 ] - [ 0.0003045500000000, -0.0001425500000000, 0.0001743400000000 ] - [ -0.0065847600000000, -0.0002925600000000, 0.0011434800000000 ] - [ -0.0025266100000000, -0.0003226200000000, -0.0001607900000000 ] - [ 0.0022518800000000, -0.0000347100000000, -0.0024072400000000 ] - [ 0.0008014300000000, -0.0001834700000000, -0.0029410100000000 ] - [ 0.0420065700000000, -0.0621915300000000, 0.1402430400000000 ] - [ -0.0015359200000000, 0.0000591800000000, 0.0002162600000000 ] - [ 0.0007056800000000, -0.0000627000000000, -0.0002271500000000 ] - [ 0.0014963300000000, 0.0004143500000000, -0.0058105700000000 ] - [ -0.0112593400000000, -0.0500532100000000, 0.0615048600000000 ] - [ -0.0008388900000000, -0.0000800500000000, -0.0001217600000000 ] - [ -0.0003605000000000, -0.0000729900000000, 0.0006059600000000 ] - [ 0.0024074200000000, -0.0003426400000000, -0.0055991400000000 ] - [ -0.0089905200000000, -0.0004396500000000, 0.0075717000000000 ] - [ -0.0003794900000000, -0.0000109900000000, -0.0004459300000000 ] - [ -0.0001975900000000, 0.0000278700000000, 0.0005302000000000 ] - [ 0.0015711100000000, -0.0001643100000000, -0.0029360600000000 ] - [ -0.0029816500000000, -0.0001690800000000, -0.0001962900000000 ] - [ -0.0007350300000000, 0.0000451900000000, -0.0006354000000000 ] - [ -0.0002492300000000, 0.0000459600000000, 0.0006240800000000 ] - [ 0.0024666000000000, 0.0000607600000000, -0.0019802000000000 ] - [ -0.0032064300000000, -0.0000323600000000, -0.0058990900000000 ] - [ 0.0000626200000000, -0.0000068200000000, 0.0019347400000000 ] - [ -0.0006285200000000, 0.0000257500000000, -0.0008670600000000 ] - [ 0.0094325900000000, -0.0006556000000000, -0.0004340200000000 ] - [ 0.0076204600000000, -0.0016609100000000, -0.0025279100000000 ] - [ -0.0003303100000000, -0.0001026700000000, 0.0001181700000000 ] - [ -0.0003896400000000, 0.0000830000000000, -0.0005395100000000 ] - [ -0.0018851600000000, 0.0000402300000000, -0.0063372900000000 ] - [ 0.0008283600000000, 0.0000092300000000, 0.0018817500000000 ] - [ 0.0001313600000000, -0.0000100200000000, -0.0000672300000000 ] - [ -0.0013098300000000, 0.0000000700000000, -0.0001870700000000 ] - [ -0.0003018200000000, -0.0000136600000000, -0.0015923800000000 ]- atom: 22 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0014386900000000, 0.0003438200000000, 0.0005005300000000 ] - [ -0.0016735400000000, -0.0002833100000000, 0.0001581600000000 ] - [ 0.0007727300000000, 0.0003534000000000, -0.0020285800000000 ] - [ 0.0006157200000000, -0.0004297500000000, -0.0013313400000000 ] - [ -0.0015938700000000, -0.0003823300000000, 0.0029839800000000 ] - [ -0.0013985500000000, 0.0001460900000000, -0.0007221200000000 ] - [ 0.0030715100000000, 0.0003138000000000, -0.0010145500000000 ] - [ -0.0003578600000000, -0.0001798800000000, -0.0017992700000000 ] - [ -0.0136582700000000, 0.0022625400000000, 0.0042990400000000 ] - [ -0.0017995300000000, -0.0002258700000000, -0.0001734100000000 ] - [ 0.0013751400000000, 0.0001809900000000, -0.0001110000000000 ] - [ 0.0010315700000000, 0.0001538100000000, -0.0022609900000000 ] - [ -0.0059764900000000, 0.0079104800000000, -0.0250353800000000 ] - [ -0.0004265100000000, 0.0000772400000000, 0.0005571300000000 ] - [ -0.0000455200000000, -0.0001518000000000, -0.0003124000000000 ] - [ 0.0010683100000000, 0.0003243900000000, -0.0043625800000000 ] - [ -0.0050422600000000, 0.0018401400000000, 0.0083886200000000 ] - [ -0.0003178400000000, 0.0002660900000000, -0.0002273200000000 ] - [ 0.0001895900000000, -0.0000579900000000, -0.0000986100000000 ] - [ 0.0006901200000000, 0.0007212100000000, -0.0032565500000000 ] - [ -0.0138562200000000, 0.0115873800000000, 0.0013812500000000 ] - [ 0.0624515700000000, -0.1636173900000000, 0.2193360400000000 ] - [ 0.0000102900000000, 0.0002230800000000, 0.0000796000000000 ] - [ 0.0005122900000000, -0.0006383100000000, -0.0030137400000000 ] - [ 0.0092899200000000, 0.0203764700000000, -0.0057699200000000 ] - [ -0.0002765800000000, 0.0000289200000000, -0.0001277100000000 ] - [ -0.0000459900000000, -0.0000460400000000, 0.0004318300000000 ] - [ 0.0011571900000000, -0.0000682100000000, -0.0036733200000000 ] - [ 0.0005810700000000, -0.0006027000000000, 0.0047362500000000 ] - [ -0.0001558900000000, -0.0000457700000000, -0.0000483200000000 ] - [ -0.0005289500000000, -0.0000364300000000, 0.0002877700000000 ] - [ -0.0000149000000000, -0.0001831400000000, -0.0026911700000000 ] - [ 0.0011224300000000, 0.0000895700000000, -0.0000516200000000 ] - [ -0.0000198100000000, 0.0001903800000000, 0.0004279600000000 ] - [ -0.0005500400000000, -0.0001225000000000, -0.0003625700000000 ] - [ -0.0012631000000000, -0.0003460500000000, -0.0005503900000000 ] - [ 0.0027509300000000, 0.0002879000000000, -0.0005664800000000 ] - [ 0.0001954000000000, 0.0001527800000000, 0.0000246500000000 ] - [ -0.0000050500000000, -0.0001189000000000, -0.0004965200000000 ] - [ -0.0026456500000000, -0.0001109800000000, -0.0010518400000000 ] - [ 0.0006648300000000, 0.0005416400000000, -0.0010592600000000 ] - [ -0.0000396700000000, 0.0003046600000000, 0.0002949100000000 ] - [ -0.0003517100000000, -0.0000790500000000, -0.0004464200000000 ] - [ -0.0019493000000000, -0.0003308600000000, 0.0005621700000000 ] - [ 0.0006852200000000, -0.0001643600000000, -0.0015523200000000 ] - [ -0.0001916200000000, 0.0000692000000000, 0.0005380800000000 ] - [ -0.0002249400000000, -0.0002501400000000, -0.0002497900000000 ] - [ -0.0025832400000000, 0.0004357100000000, 0.0014619300000000 ] - [ 0.0012855900000000, 0.0001192300000000, -0.0022770400000000 ] - [ 0.0000305200000000, 0.0001518900000000, 0.0003497900000000 ] - [ -0.0002693100000000, -0.0002042200000000, -0.0001100000000000 ] - [ -0.0004502600000000, -0.0004502100000000, -0.0002085700000000 ] - [ 0.0065680000000000, 0.0004433000000000, -0.0009898900000000 ] - [ 0.0025028800000000, 0.0004783500000000, -0.0000245200000000 ] - [ -0.0022821300000000, -0.0001244700000000, 0.0022487400000000 ] - [ -0.0007650700000000, 0.0000281600000000, 0.0031131800000000 ] - [ -0.0453030400000000, 0.0663843700000000, -0.1452657000000000 ] - [ 0.0014127800000000, 0.0000012300000000, -0.0001511500000000 ] - [ -0.0008266100000000, 0.0000029500000000, 0.0002949400000000 ] - [ -0.0013757500000000, -0.0004729100000000, 0.0057562000000000 ] - [ 0.0118244900000000, 0.0495629100000000, -0.0625423100000000 ] - [ 0.0003971800000000, 0.0001428500000000, 0.0007344000000000 ] - [ -0.0000822000000000, 0.0000094000000000, 0.0000106000000000 ] - [ -0.0019763500000000, 0.0002781400000000, 0.0050004100000000 ] - [ 0.0088763100000000, 0.0004515600000000, -0.0077077000000000 ] - [ 0.0005471700000000, 0.0000297900000000, 0.0005726800000000 ] - [ 0.0003670500000000, -0.0000465400000000, -0.0004030600000000 ] - [ -0.0017481400000000, 0.0001458700000000, 0.0028178300000000 ] - [ 0.0033957400000000, 0.0001467000000000, 0.0001402300000000 ] - [ 0.0003244000000000, -0.0000688400000000, 0.0007123000000000 ] - [ -0.0001591600000000, -0.0000222400000000, -0.0005490700000000 ] - [ -0.0020634200000000, -0.0000367400000000, 0.0019074200000000 ] - [ 0.0032845200000000, 0.0000009100000000, 0.0051570500000000 ] - [ -0.0001183900000000, -0.0000246600000000, -0.0011705100000000 ] - [ 0.0005805400000000, 0.0000056400000000, 0.0016278900000000 ] - [ -0.0093877600000000, 0.0006849200000000, -0.0002997600000000 ] - [ -0.0075834200000000, 0.0014988900000000, 0.0028277800000000 ] - [ 0.0002659600000000, -0.0000750700000000, -0.0004339900000000 ] - [ 0.0003268200000000, 0.0000947900000000, 0.0002252900000000 ] - [ 0.0019400300000000, 0.0001388700000000, 0.0066668600000000 ] - [ -0.0003691900000000, -0.0000267500000000, -0.0018236200000000 ] - [ -0.0005885600000000, -0.0000081800000000, -0.0000000200000000 ] - [ 0.0008584400000000, 0.0000182400000000, 0.0001237900000000 ] - [ 0.0007561200000000, 0.0000319300000000, 0.0016651200000000 ]- atom: 25 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0001751800000000, -0.0004646600000000, 0.0021431600000000 ] - [ -0.0007730500000000, 0.0003632100000000, 0.0014887500000000 ] - [ 0.0011457300000000, 0.0011681500000000, -0.0039705400000000 ] - [ 0.0008755000000000, -0.0008550200000000, -0.0030713900000000 ] - [ 0.0006140100000000, -0.0002140300000000, 0.0035141400000000 ] - [ -0.0006906400000000, 0.0001587200000000, 0.0003123600000000 ] - [ 0.0098714000000000, 0.0004958500000000, -0.0046307100000000 ] - [ -0.0000900600000000, -0.0002058700000000, -0.0016312200000000 ] - [ -0.0078986000000000, 0.0000370200000000, 0.0035295100000000 ] - [ 0.0009276300000000, -0.0002098700000000, 0.0005177200000000 ] - [ 0.0053232500000000, 0.0004182300000000, -0.0007535200000000 ] - [ -0.0029312700000000, 0.0001885700000000, -0.0015572400000000 ] - [ -0.0028586000000000, -0.0001645100000000, -0.0028044200000000 ] - [ 0.0011907400000000, 0.0001879100000000, 0.0010701700000000 ] - [ 0.0015679400000000, -0.0003374400000000, -0.0004754700000000 ] - [ -0.0054300300000000, -0.0006243600000000, -0.0032766100000000 ] - [ -0.0053368800000000, -0.0015831900000000, -0.0073234500000000 ] - [ 0.0007580700000000, -0.0002163500000000, 0.0002483400000000 ] - [ 0.0015273300000000, 0.0003841200000000, -0.0000577300000000 ] - [ -0.0019306000000000, 0.0010184200000000, -0.0006267200000000 ] - [ 0.0377883700000000, -0.0012202000000000, -0.0100789500000000 ] - [ -0.0057462600000000, 0.0068225400000000, -0.0103936800000000 ] - [ 0.0013488100000000, -0.0000878600000000, 0.0003213900000000 ] - [ -0.0011558600000000, -0.0004065000000000, -0.0014146000000000 ] - [ -0.2419766400000000, -0.0460888600000000, 0.1702112000000000 ] - [ 0.0010993700000000, 0.0000694300000000, 0.0001185900000000 ] - [ 0.0020595400000000, -0.0000616200000000, 0.0002979000000000 ] - [ -0.0014928400000000, -0.0001653300000000, -0.0011228300000000 ] - [ 0.0031504500000000, 0.0003472700000000, -0.0044257900000000 ] - [ 0.0009637100000000, -0.0000591300000000, 0.0005011400000000 ] - [ 0.0014784800000000, 0.0001271700000000, 0.0003088800000000 ] - [ 0.0004287300000000, 0.0001800100000000, 0.0018651400000000 ] - [ 0.0009591800000000, 0.0001411300000000, -0.0005364700000000 ] - [ 0.0019063400000000, 0.0003501400000000, 0.0000566800000000 ] - [ 0.0012579000000000, -0.0003126000000000, 0.0007274500000000 ] - [ 0.0022393500000000, 0.0002219700000000, 0.0014195000000000 ] - [ -0.0000940500000000, 0.0001495900000000, -0.0006121200000000 ] - [ 0.0020343100000000, 0.0000996800000000, -0.0002970200000000 ] - [ 0.0018594000000000, -0.0001160000000000, 0.0000524000000000 ] - [ 0.0003482200000000, 0.0001037600000000, 0.0025285200000000 ] - [ 0.0000952500000000, 0.0002787900000000, 0.0002082400000000 ] - [ 0.0014326700000000, 0.0003941500000000, 0.0004432400000000 ] - [ 0.0010678000000000, -0.0004278800000000, 0.0005704900000000 ] - [ 0.0043344400000000, 0.0010301000000000, 0.0020651500000000 ] - [ -0.0001643600000000, 0.0001074200000000, 0.0000041200000000 ] - [ 0.0010560800000000, -0.0002642800000000, 0.0003173000000000 ] - [ 0.0007269600000000, 0.0002331100000000, 0.0005361200000000 ] - [ 0.0032879200000000, -0.0020803900000000, 0.0004460700000000 ] - [ -0.0022075900000000, -0.0001147500000000, -0.0007719300000000 ] - [ 0.0031152200000000, -0.0001486500000000, 0.0003500100000000 ] - [ 0.0021612900000000, 0.0000330200000000, 0.0003090000000000 ] - [ 0.0006329800000000, -0.0000389500000000, 0.0004442700000000 ] - [ 0.0024129100000000, 0.0001481000000000, -0.0042088000000000 ] - [ 0.0000142500000000, 0.0001847900000000, -0.0025292500000000 ] - [ -0.0062452800000000, -0.0012024500000000, 0.0063181800000000 ] - [ 0.0015338600000000, 0.0001378800000000, 0.0052526500000000 ] - [ 0.0148152900000000, 0.0014944500000000, 0.0043096600000000 ] - [ -0.0013844000000000, 0.0002708600000000, -0.0008127200000000 ] - [ -0.0041580300000000, -0.0002204500000000, 0.0005218000000000 ] - [ 0.0034870300000000, -0.0008188500000000, 0.0028690900000000 ] - [ 0.1956832800000000, 0.0410979700000000, -0.1430697100000000 ] - [ -0.0021992300000000, -0.0001946300000000, -0.0002653400000000 ] - [ -0.0035150400000000, 0.0003282100000000, -0.0002423800000000 ] - [ 0.0027154800000000, 0.0006148900000000, 0.0014078200000000 ] - [ -0.0137342400000000, 0.0019826000000000, 0.0039193900000000 ] - [ -0.0020302900000000, -0.0001498900000000, -0.0003691100000000 ] - [ -0.0029911500000000, 0.0001918300000000, -0.0000490700000000 ] - [ 0.0015508100000000, -0.0000796600000000, -0.0012258700000000 ] - [ -0.0026052700000000, -0.0011256500000000, -0.0039075600000000 ] - [ -0.0021942800000000, 0.0001214300000000, -0.0006395500000000 ] - [ -0.0027671200000000, -0.0000986400000000, -0.0002700600000000 ] - [ -0.0004460200000000, -0.0000248700000000, 0.0003925900000000 ] - [ 0.0026013300000000, -0.0000000300000000, 0.0009608000000000 ] - [ -0.0038127200000000, -0.0000459000000000, -0.0019291700000000 ] - [ -0.0011800300000000, -0.0000149500000000, 0.0011308300000000 ] - [ 0.0091795900000000, -0.0015897700000000, 0.0000336700000000 ] - [ 0.0010074100000000, -0.0002424600000000, 0.0034776700000000 ] - [ -0.0022487900000000, -0.0001143600000000, -0.0007450100000000 ] - [ -0.0023144900000000, 0.0001237100000000, -0.0002303500000000 ] - [ 0.0073214300000000, 0.0007141500000000, -0.0065969000000000 ] - [ -0.0024239100000000, -0.0001507400000000, 0.0015351100000000 ] - [ -0.0017703000000000, 0.0000333200000000, 0.0000734100000000 ] - [ -0.0030973200000000, -0.0000157300000000, -0.0007679300000000 ] - [ -0.0008866000000000, 0.0000036400000000, -0.0014384500000000 ]- atom: 25 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0004981700000000, 0.0004339800000000, -0.0018946300000000 ] - [ 0.0004662500000000, -0.0003882300000000, -0.0017354500000000 ] - [ -0.0014587000000000, -0.0011441700000000, 0.0037255400000000 ] - [ -0.0005604900000000, 0.0008865800000000, 0.0033312600000000 ] - [ -0.0009795600000000, 0.0003301100000000, -0.0030445000000000 ] - [ 0.0010686300000000, -0.0000438500000000, -0.0007869100000000 ] - [ -0.0095603500000000, -0.0006081500000000, 0.0041756500000000 ] - [ -0.0002805700000000, 0.0000919100000000, 0.0021138200000000 ] - [ 0.0079330200000000, -0.0003659900000000, -0.0036179200000000 ] - [ -0.0009119000000000, -0.0001198200000000, -0.0004215000000000 ] - [ -0.0053222600000000, -0.0000890200000000, 0.0008512000000000 ] - [ 0.0029340000000000, 0.0001434700000000, 0.0014638500000000 ] - [ 0.0029452600000000, 0.0004305100000000, 0.0025298800000000 ] - [ -0.0012717600000000, 0.0000711600000000, -0.0007702300000000 ] - [ -0.0016504900000000, 0.0000796600000000, 0.0007803000000000 ] - [ 0.0055232400000000, 0.0003628600000000, 0.0029482200000000 ] - [ 0.0050835900000000, 0.0018383900000000, 0.0076361800000000 ] - [ -0.0006018600000000, 0.0004472100000000, -0.0005151400000000 ] - [ -0.0013735000000000, -0.0006159900000000, -0.0002083200000000 ] - [ 0.0017750900000000, -0.0012474500000000, 0.0008917300000000 ] - [ -0.0374940100000000, 0.0009188900000000, 0.0096023100000000 ] - [ 0.0057916500000000, -0.0074067200000000, 0.0104438700000000 ] - [ -0.0014916100000000, 0.0006819800000000, -0.0003558900000000 ] - [ 0.0012976300000000, 0.0010001200000000, 0.0014457900000000 ] - [ 0.2355472700000000, 0.0438866900000000, -0.1626991700000000 ] - [ -0.0009487900000000, 0.0000086500000000, 0.0001652200000000 ] - [ -0.0019097200000000, -0.0000158300000000, -0.0000165300000000 ] - [ 0.0013420200000000, 0.0000876200000000, 0.0008452500000000 ] - [ -0.0028584700000000, -0.0003791800000000, 0.0040770700000000 ] - [ -0.0012401000000000, 0.0000243300000000, -0.0001994600000000 ] - [ -0.0017527500000000, -0.0000912400000000, -0.0000075300000000 ] - [ -0.0001561300000000, -0.0001442100000000, -0.0021640100000000 ] - [ -0.0007404400000000, 0.0002071300000000, 0.0003704100000000 ] - [ -0.0021264300000000, -0.0000022000000000, 0.0001036500000000 ] - [ -0.0014808700000000, -0.0000347800000000, -0.0005613800000000 ] - [ -0.0020129000000000, -0.0005672000000000, -0.0015726300000000 ] - [ -0.0005468800000000, 0.0001121900000000, 0.0010348900000000 ] - [ -0.0014014000000000, 0.0001627200000000, -0.0001295500000000 ] - [ -0.0012277900000000, -0.0001463300000000, -0.0004742600000000 ] - [ -0.0009901500000000, -0.0003629400000000, -0.0020896200000000 ] - [ -0.0000516400000000, 0.0001525500000000, -0.0001672500000000 ] - [ -0.0014797900000000, 0.0000370700000000, -0.0004849700000000 ] - [ -0.0011147600000000, -0.0000031100000000, -0.0006097800000000 ] - [ -0.0042526200000000, -0.0014495100000000, -0.0020061100000000 ] - [ 0.0003027200000000, 0.0001150900000000, -0.0003368000000000 ] - [ -0.0011972100000000, 0.0004872900000000, 0.0000153000000000 ] - [ -0.0008689200000000, -0.0004554100000000, -0.0002007300000000 ] - [ -0.0031235700000000, 0.0018364600000000, -0.0007788100000000 ] - [ 0.0017374900000000, 0.0004032300000000, 0.0004947000000000 ] - [ -0.0026515800000000, 0.0004377400000000, -0.0000698600000000 ] - [ -0.0016972900000000, -0.0003213500000000, -0.0000272900000000 ] - [ -0.0007743400000000, -0.0005537600000000, -0.0004782300000000 ] - [ -0.0024206800000000, 0.0000112200000000, 0.0043804300000000 ] - [ -0.0000558500000000, -0.0000318800000000, 0.0023587900000000 ] - [ 0.0062139600000000, 0.0010509000000000, -0.0064953700000000 ] - [ -0.0015095500000000, -0.0002964500000000, -0.0050971400000000 ] - [ -0.0147400300000000, -0.0014563800000000, -0.0044515500000000 ] - [ 0.0012518300000000, -0.0002113000000000, 0.0008831500000000 ] - [ 0.0040331400000000, 0.0001613700000000, -0.0004549600000000 ] - [ -0.0033723400000000, 0.0007530900000000, -0.0029251600000000 ] - [ -0.1893275700000000, -0.0388230200000000, 0.1346666000000000 ] - [ 0.0017528700000000, 0.0002567600000000, 0.0008756900000000 ] - [ 0.0030700100000000, -0.0003909800000000, 0.0008549800000000 ] - [ -0.0022657200000000, -0.0006758200000000, -0.0020210000000000 ] - [ 0.0135110200000000, -0.0019486100000000, -0.0040139800000000 ] - [ 0.0021918800000000, 0.0001690000000000, 0.0004956100000000 ] - [ 0.0031519100000000, -0.0002104100000000, 0.0001786500000000 ] - [ -0.0017052500000000, 0.0000616300000000, 0.0010951900000000 ] - [ 0.0030142700000000, 0.0010924000000000, 0.0038058900000000 ] - [ 0.0017822200000000, -0.0001437200000000, 0.0007101500000000 ] - [ 0.0023533100000000, 0.0001218800000000, 0.0003458700000000 ] - [ 0.0008646400000000, 0.0000473600000000, -0.0004663300000000 ] - [ -0.0025541800000000, -0.0000306300000000, -0.0017318700000000 ] - [ 0.0037591000000000, 0.0000149100000000, 0.0026970000000000 ] - [ 0.0011207300000000, 0.0000464200000000, -0.0003755500000000 ] - [ -0.0093497100000000, 0.0016722300000000, -0.0007174400000000 ] - [ -0.0009100700000000, 0.0000669900000000, -0.0031693700000000 ] - [ 0.0021793900000000, -0.0000614800000000, 0.0004316300000000 ] - [ 0.0022445100000000, 0.0000531700000000, -0.0000871400000000 ] - [ -0.0071398000000000, -0.0005466200000000, 0.0070048300000000 ] - [ 0.0028753900000000, 0.0001316400000000, -0.0014553300000000 ] - [ 0.0013162500000000, -0.0000521300000000, -0.0001388100000000 ] - [ 0.0026346200000000, 0.0000347000000000, 0.0006960900000000 ] - [ 0.0013452300000000, 0.0000146200000000, 0.0014988600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000523900000000, 0.0000498700000000, 0.0001313200000000 ] - [ -0.0001420700000000, -0.0000192800000000, -0.0000765600000000 ] - [ -0.0002240700000000, 0.0001069200000000, -0.0001054400000000 ] - [ 0.0001808800000000, -0.0000129500000000, 0.0001067400000000 ] - [ -0.0002877300000000, 0.0001141400000000, 0.0002207700000000 ] - [ 0.0001220100000000, 0.0000604200000000, -0.0002481000000000 ] - [ 0.0006212000000000, 0.0020706400000000, -0.0003119000000000 ] - [ -0.0001972500000000, -0.0000679300000000, 0.0001739800000000 ] - [ -0.0012169300000000, 0.0020249700000000, 0.0004199700000000 ] - [ -0.0000773000000000, -0.0001644800000000, 0.0000352400000000 ] - [ 0.0000802400000000, 0.0001377700000000, 0.0000176100000000 ] - [ 0.0001304100000000, 0.0001076700000000, -0.0001183900000000 ] - [ -0.0006260100000000, 0.0009343000000000, -0.0023772300000000 ] - [ -0.0000699500000000, 0.0001261700000000, 0.0001586300000000 ] - [ -0.0000585900000000, -0.0001263400000000, 0.0001366800000000 ] - [ 0.0001460800000000, 0.0019360100000000, 0.0001793100000000 ] - [ -0.0041858700000000, -0.0008555900000000, 0.0085079100000000 ] - [ 0.0000509600000000, 0.0001268800000000, -0.0001457300000000 ] - [ 0.0000657400000000, -0.0001169200000000, -0.0001288500000000 ] - [ 0.0000860200000000, -0.0000387400000000, -0.0002114700000000 ] - [ -0.0036411500000000, -0.0069182000000000, 0.0003408100000000 ] - [ 0.0093579600000000, 0.0173791500000000, -0.0193701500000000 ] - [ -0.0000794500000000, 0.0002937400000000, -0.0000122900000000 ] - [ 0.0001686200000000, 0.0002702900000000, 0.0000094200000000 ] - [ -0.0445064100000000, -0.0590555000000000, 0.0445719000000000 ] - [ 0.0000399100000000, 0.0000379900000000, 0.0001320800000000 ] - [ 0.0000447900000000, -0.0000386200000000, 0.0001519300000000 ] - [ 0.0000568800000000, -0.0000194400000000, -0.0003385300000000 ] - [ 0.0001680300000000, 0.0000467400000000, 0.0001648100000000 ] - [ -0.0001575300000000, -0.0000190700000000, 0.0001253500000000 ] - [ -0.0001679200000000, 0.0000123100000000, 0.0001695900000000 ] - [ -0.0001589900000000, 0.0000525800000000, -0.0008358600000000 ] - [ 0.0001291800000000, 0.0001828800000000, -0.0001601800000000 ] - [ -0.0000776500000000, 0.0001784800000000, 0.0000782000000000 ] - [ -0.0002035800000000, -0.0001666200000000, 0.0000726800000000 ] - [ 0.0000833900000000, -0.0002250000000000, 0.0000015200000000 ] - [ -0.0001557100000000, 0.0001247800000000, 0.0000607700000000 ] - [ 0.0003106500000000, 0.0001313300000000, -0.0002173900000000 ] - [ 0.0002635900000000, -0.0001306300000000, -0.0002193200000000 ] - [ -0.0004070300000000, -0.0000257900000000, 0.0004463300000000 ] - [ 0.0000180500000000, 0.0002850100000000, -0.0001900800000000 ] - [ -0.0000184100000000, 0.0002167100000000, 0.0000003100000000 ] - [ -0.0000692000000000, -0.0002026400000000, -0.0000575700000000 ] - [ -0.0005072900000000, -0.0002387400000000, -0.0000226200000000 ] - [ 0.0000889600000000, 0.0000314900000000, -0.0003403400000000 ] - [ -0.0000808000000000, 0.0001106000000000, 0.0001917400000000 ] - [ -0.0000973200000000, -0.0001241800000000, 0.0001318400000000 ] - [ 0.0004633400000000, -0.0002751000000000, 0.0001686200000000 ] - [ -0.0000692400000000, 0.0001673900000000, -0.0002603500000000 ] - [ 0.0002009700000000, 0.0001467900000000, 0.0001523500000000 ] - [ 0.0001720800000000, -0.0001499500000000, 0.0001282600000000 ] - [ -0.0000993300000000, -0.0003063500000000, -0.0000331600000000 ] - [ -0.0000370200000000, -0.0000929100000000, -0.0000305100000000 ] - [ 0.0000898200000000, 0.0000917800000000, -0.0000700700000000 ] - [ -0.0000155300000000, 0.0000413900000000, 0.0000142600000000 ] - [ -0.0000944100000000, -0.0000221700000000, 0.0000940000000000 ] - [ 0.0063367700000000, -0.0094188900000000, 0.0036615700000000 ] - [ 0.0000149500000000, 0.0000267600000000, 0.0000404600000000 ] - [ -0.0000583000000000, -0.0000355900000000, 0.0000319100000000 ] - [ -0.0001133700000000, 0.0004412600000000, -0.0001127600000000 ] - [ 0.0397855200000000, 0.0458549000000000, -0.0366290500000000 ] - [ -0.0001621000000000, 0.0000386100000000, 0.0003330300000000 ] - [ -0.0001867300000000, -0.0000294500000000, 0.0002927300000000 ] - [ -0.0000236300000000, -0.0001383400000000, 0.0000304800000000 ] - [ 0.0001327900000000, -0.0014163400000000, -0.0008439100000000 ] - [ 0.0001468000000000, 0.0000138000000000, 0.0001077900000000 ] - [ 0.0001092800000000, -0.0000145900000000, 0.0000231100000000 ] - [ -0.0002342900000000, 0.0000950400000000, 0.0003731400000000 ] - [ 0.0002400200000000, 0.0002828700000000, -0.0004393800000000 ] - [ -0.0001183700000000, -0.0000185300000000, 0.0000846900000000 ] - [ -0.0002225400000000, 0.0000123500000000, 0.0000084900000000 ] - [ 0.0001228300000000, -0.0000403800000000, 0.0002023300000000 ] - [ 0.0001713300000000, -0.0000228100000000, -0.0000919100000000 ] - [ -0.0000148600000000, 0.0000005900000000, 0.0003200800000000 ] - [ 0.0000240000000000, 0.0000145600000000, 0.0004206800000000 ] - [ -0.0019739000000000, 0.0029899500000000, -0.0003044600000000 ] - [ -0.0001533200000000, 0.0002573700000000, 0.0003922700000000 ] - [ 0.0000008300000000, -0.0000872100000000, -0.0001529900000000 ] - [ 0.0000151100000000, 0.0000895600000000, -0.0001503400000000 ] - [ 0.0006125200000000, 0.0029364500000000, 0.0009183500000000 ] - [ 0.0000553200000000, 0.0000004900000000, 0.0000616500000000 ] - [ -0.0002103500000000, -0.0000084700000000, 0.0000174900000000 ] - [ -0.0001516600000000, 0.0000025500000000, -0.0000593400000000 ] - [ 0.0003929800000000, -0.0000105900000000, 0.0000510200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002693200000000, -0.0000735500000000, 0.0001131900000000 ] - [ -0.0001683600000000, -0.0000112000000000, -0.0001823800000000 ] - [ -0.0001075100000000, -0.0000813000000000, -0.0001124400000000 ] - [ 0.0001292000000000, 0.0000454500000000, 0.0001609200000000 ] - [ -0.0000888700000000, 0.0000008700000000, 0.0002258100000000 ] - [ 0.0002554400000000, 0.0000532700000000, -0.0002292200000000 ] - [ -0.0002818900000000, -0.0021884900000000, -0.0001578200000000 ] - [ -0.0001781400000000, -0.0000465600000000, 0.0003186300000000 ] - [ 0.0012459700000000, -0.0023503300000000, -0.0005497200000000 ] - [ 0.0000828400000000, -0.0001652200000000, 0.0000587900000000 ] - [ -0.0001001700000000, 0.0001918700000000, 0.0000793800000000 ] - [ -0.0001263100000000, 0.0002201400000000, 0.0000372200000000 ] - [ 0.0007245300000000, -0.0006611800000000, 0.0020759800000000 ] - [ -0.0000216800000000, 0.0001300000000000, 0.0001424600000000 ] - [ -0.0000360600000000, -0.0001290000000000, 0.0001738800000000 ] - [ -0.0000302800000000, -0.0021954300000000, -0.0004335600000000 ] - [ 0.0039876400000000, 0.0011705500000000, -0.0081503500000000 ] - [ 0.0000985200000000, 0.0001072700000000, -0.0001240200000000 ] - [ 0.0000786100000000, -0.0001191500000000, -0.0001397700000000 ] - [ -0.0002278400000000, -0.0002053900000000, 0.0004877800000000 ] - [ 0.0029565400000000, 0.0066473000000000, -0.0005725100000000 ] - [ -0.0090221900000000, -0.0178905800000000, 0.0191724900000000 ] - [ -0.0000744000000000, 0.0003010000000000, -0.0000270500000000 ] - [ -0.0000153300000000, 0.0003286300000000, 0.0000435200000000 ] - [ 0.0454467800000000, 0.0597341600000000, -0.0454151500000000 ] - [ 0.0001006400000000, 0.0000390400000000, 0.0001512400000000 ] - [ 0.0000906700000000, -0.0000388600000000, 0.0001288600000000 ] - [ -0.0001965200000000, -0.0000565600000000, 0.0000665300000000 ] - [ 0.0000896100000000, -0.0000853300000000, -0.0004430600000000 ] - [ -0.0001271800000000, -0.0000159700000000, 0.0001747600000000 ] - [ -0.0001194500000000, 0.0000222100000000, 0.0001310400000000 ] - [ 0.0004356200000000, -0.0000196500000000, 0.0005229500000000 ] - [ 0.0000854300000000, 0.0001660200000000, -0.0000016700000000 ] - [ -0.0001547700000000, 0.0001693200000000, 0.0000867100000000 ] - [ -0.0000235600000000, -0.0001817700000000, 0.0000891900000000 ] - [ 0.0001266500000000, -0.0001269300000000, -0.0001761900000000 ] - [ -0.0004802500000000, 0.0001368000000000, 0.0003734700000000 ] - [ 0.0003120000000000, 0.0001309100000000, -0.0002109000000000 ] - [ 0.0003602100000000, -0.0001320200000000, -0.0002098100000000 ] - [ -0.0002214800000000, -0.0002380700000000, -0.0000295100000000 ] - [ 0.0000300500000000, 0.0001429400000000, 0.0002323800000000 ] - [ -0.0000394200000000, 0.0002111700000000, -0.0000454200000000 ] - [ 0.0000150000000000, -0.0002254800000000, 0.0000132200000000 ] - [ 0.0005287500000000, -0.0002000700000000, 0.0000494200000000 ] - [ 0.0000567600000000, 0.0001892500000000, 0.0000094500000000 ] - [ -0.0000703600000000, 0.0001119300000000, 0.0001380000000000 ] - [ -0.0000516500000000, -0.0000982100000000, 0.0001979900000000 ] - [ -0.0003362700000000, 0.0000682100000000, -0.0005068300000000 ] - [ -0.0003769100000000, 0.0001227600000000, -0.0000196700000000 ] - [ 0.0002407500000000, 0.0001432000000000, 0.0001331500000000 ] - [ 0.0002757500000000, -0.0001395500000000, 0.0001583900000000 ] - [ -0.0000501600000000, -0.0002873900000000, -0.0000058600000000 ] - [ 0.0000444600000000, 0.0002423800000000, 0.0002188800000000 ] - [ -0.0001268800000000, 0.0000669600000000, -0.0000891800000000 ] - [ 0.0000226500000000, -0.0002067300000000, -0.0002099500000000 ] - [ 0.0001238100000000, -0.0001306100000000, 0.0000325100000000 ] - [ -0.0062802900000000, 0.0093847700000000, -0.0037025700000000 ] - [ -0.0001317500000000, 0.0000324500000000, 0.0000279400000000 ] - [ -0.0000394100000000, -0.0000242600000000, 0.0000286800000000 ] - [ 0.0002185100000000, -0.0004910500000000, 0.0000203200000000 ] - [ -0.0398930500000000, -0.0465816500000000, 0.0365047100000000 ] - [ -0.0002729500000000, 0.0000238400000000, 0.0002814600000000 ] - [ -0.0002403100000000, -0.0000347700000000, 0.0003241200000000 ] - [ 0.0004549800000000, 0.0000693900000000, -0.0006600000000000 ] - [ -0.0002144100000000, 0.0014188600000000, 0.0006983900000000 ] - [ 0.0000324900000000, 0.0000054500000000, 0.0000184600000000 ] - [ 0.0000764900000000, -0.0000053400000000, 0.0001035000000000 ] - [ 0.0000559200000000, -0.0001134400000000, -0.0004937500000000 ] - [ 0.0001859200000000, -0.0002972200000000, 0.0003924600000000 ] - [ -0.0002878400000000, -0.0000054000000000, -0.0000064900000000 ] - [ -0.0001787800000000, 0.0000112900000000, 0.0000693300000000 ] - [ 0.0002992300000000, 0.0000634600000000, -0.0002834100000000 ] - [ -0.0001326100000000, -0.0000088700000000, -0.0006830300000000 ] - [ -0.0000212300000000, -0.0000324000000000, 0.0004565900000000 ] - [ -0.0000694600000000, 0.0000168900000000, 0.0003332200000000 ] - [ 0.0015906600000000, -0.0028358700000000, -0.0003463700000000 ] - [ 0.0002207500000000, -0.0004306600000000, -0.0001021300000000 ] - [ -0.0000538300000000, -0.0000904300000000, -0.0001599100000000 ] - [ -0.0000676300000000, 0.0000886400000000, -0.0001655300000000 ] - [ -0.0005715900000000, -0.0027718200000000, -0.0005437100000000 ] - [ 0.0004190000000000, -0.0000172800000000, -0.0000040900000000 ] - [ -0.0002389000000000, -0.0000100900000000, -0.0000837800000000 ] - [ -0.0002910600000000, 0.0000147800000000, -0.0000010900000000 ] - [ 0.0000708300000000, 0.0000276500000000, 0.0000205500000000 ]- atom: 25 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0021284000000000, -0.0004178000000000, 0.0007124800000000 ] - [ 0.0013241500000000, 0.0006666000000000, 0.0009507800000000 ] - [ -0.0012929400000000, -0.0002513700000000, 0.0011310000000000 ] - [ -0.0008342100000000, 0.0002432500000000, 0.0013419000000000 ] - [ 0.0016775100000000, 0.0003007100000000, -0.0026506600000000 ] - [ 0.0006947800000000, 0.0001045300000000, 0.0010370700000000 ] - [ -0.0052041300000000, -0.0002121100000000, -0.0001407400000000 ] - [ -0.0009239100000000, 0.0001376600000000, 0.0019841700000000 ] - [ 0.0086293700000000, 0.0009576500000000, 0.0006754600000000 ] - [ 0.0012831600000000, -0.0000856900000000, 0.0006352800000000 ] - [ -0.0027094400000000, 0.0001004400000000, 0.0000193600000000 ] - [ -0.0022143500000000, 0.0001598700000000, 0.0021696000000000 ] - [ 0.0008412100000000, 0.0022254900000000, 0.0062196100000000 ] - [ 0.0000777200000000, 0.0001374400000000, -0.0001883400000000 ] - [ -0.0005573900000000, -0.0000699200000000, 0.0004993800000000 ] - [ -0.0007534200000000, -0.0000697100000000, 0.0059131200000000 ] - [ -0.0116768800000000, 0.0063360900000000, 0.0199502300000000 ] - [ 0.0002557300000000, 0.0000112800000000, 0.0000495800000000 ] - [ -0.0004106300000000, -0.0003631700000000, -0.0003913600000000 ] - [ -0.0004833100000000, -0.0012950600000000, 0.0045762300000000 ] - [ -0.0099780100000000, 0.0000054500000000, -0.0069980300000000 ] - [ -0.0071915000000000, -0.0096059500000000, 0.0060115800000000 ] - [ -0.0005159800000000, 0.0005338000000000, -0.0003952600000000 ] - [ -0.0000054400000000, 0.0014465400000000, 0.0037238300000000 ] - [ 0.1956755800000000, 0.0499926800000000, -0.2165483600000000 ] - [ -0.0001028900000000, 0.0000433400000000, 0.0004977400000000 ] - [ -0.0000678200000000, -0.0000235900000000, -0.0002921000000000 ] - [ -0.0008362500000000, 0.0001808100000000, 0.0033084000000000 ] - [ -0.0021383100000000, -0.0000534600000000, -0.0007143900000000 ] - [ -0.0002811700000000, 0.0000134900000000, 0.0003565700000000 ] - [ -0.0003369100000000, 0.0000279900000000, -0.0001192200000000 ] - [ 0.0020114200000000, 0.0003371200000000, 0.0039188700000000 ] - [ -0.0004666300000000, 0.0001533300000000, 0.0007164300000000 ] - [ -0.0010131400000000, 0.0000970700000000, 0.0000791400000000 ] - [ 0.0003984200000000, -0.0002135700000000, 0.0000232700000000 ] - [ 0.0005972100000000, -0.0002568400000000, -0.0013059800000000 ] - [ -0.0022954000000000, -0.0001143500000000, 0.0018058800000000 ] - [ -0.0000897200000000, 0.0001284200000000, -0.0002142700000000 ] - [ 0.0003087200000000, -0.0001392700000000, -0.0002416800000000 ] - [ 0.0030598100000000, -0.0006381200000000, -0.0024264700000000 ] - [ 0.0000278600000000, -0.0004035400000000, 0.0018172500000000 ] - [ -0.0005028500000000, 0.0001063400000000, -0.0003982000000000 ] - [ 0.0001450600000000, -0.0002736800000000, 0.0002387000000000 ] - [ -0.0014051800000000, -0.0013789900000000, -0.0024655000000000 ] - [ 0.0000789800000000, 0.0008449300000000, 0.0016504200000000 ] - [ -0.0003299900000000, 0.0002462900000000, -0.0001775900000000 ] - [ -0.0000577400000000, -0.0000650300000000, 0.0004522300000000 ] - [ -0.0011622800000000, 0.0010833800000000, -0.0024428000000000 ] - [ -0.0001345500000000, 0.0003849600000000, 0.0026774000000000 ] - [ -0.0003505100000000, 0.0002203600000000, -0.0001251100000000 ] - [ 0.0002133600000000, -0.0001310300000000, 0.0003528900000000 ] - [ 0.0000842900000000, -0.0001592300000000, 0.0002222800000000 ] - [ -0.0083755700000000, -0.0002244700000000, -0.0001038100000000 ] - [ -0.0016307000000000, -0.0002913800000000, -0.0020522600000000 ] - [ 0.0037608400000000, 0.0002252400000000, -0.0022742000000000 ] - [ 0.0022788600000000, -0.0002372700000000, -0.0023097400000000 ] - [ -0.0096991500000000, -0.0084875500000000, -0.0105872200000000 ] - [ -0.0010910100000000, 0.0000296800000000, 0.0000371500000000 ] - [ 0.0017781600000000, 0.0000222000000000, 0.0000487400000000 ] - [ 0.0024310800000000, 0.0004364900000000, -0.0081568800000000 ] - [ -0.1590270100000000, -0.0426264000000000, 0.1903621700000000 ] - [ -0.0001705200000000, -0.0000390600000000, -0.0002347100000000 ] - [ 0.0003812100000000, -0.0001929400000000, 0.0010490700000000 ] - [ 0.0006865600000000, -0.0004992800000000, -0.0066267700000000 ] - [ 0.0063578900000000, -0.0008443000000000, 0.0016803200000000 ] - [ 0.0000604200000000, 0.0000316700000000, -0.0003715300000000 ] - [ 0.0007626300000000, -0.0000365500000000, 0.0005692600000000 ] - [ 0.0000821300000000, -0.0004738200000000, -0.0037082400000000 ] - [ -0.0014522200000000, 0.0004840100000000, 0.0052473600000000 ] - [ -0.0005136800000000, -0.0000002300000000, -0.0003102700000000 ] - [ 0.0006556000000000, 0.0000508200000000, 0.0004947000000000 ] - [ 0.0015798400000000, 0.0002708900000000, -0.0029088300000000 ] - [ -0.0007669300000000, -0.0000043300000000, -0.0047408700000000 ] - [ 0.0000299800000000, -0.0000222500000000, 0.0025519400000000 ] - [ 0.0003580700000000, 0.0000171600000000, -0.0009591200000000 ] - [ -0.0006205800000000, 0.0007995100000000, 0.0109682600000000 ] - [ 0.0042980200000000, 0.0002903800000000, -0.0053999900000000 ] - [ 0.0001532500000000, -0.0001000000000000, 0.0000367500000000 ] - [ 0.0003366300000000, 0.0000688400000000, -0.0002806500000000 ] - [ -0.0068151700000000, 0.0001506300000000, 0.0008274900000000 ] - [ 0.0020646500000000, 0.0000852700000000, -0.0001517200000000 ] - [ 0.0001289300000000, -0.0000243200000000, -0.0005302700000000 ] - [ 0.0000056000000000, -0.0000036800000000, 0.0006179100000000 ] - [ -0.0012176400000000, 0.0001391800000000, -0.0002661000000000 ]- atom: 25 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0018182200000000, 0.0003878700000000, -0.0004544100000000 ] - [ -0.0016436900000000, -0.0006935100000000, -0.0011954300000000 ] - [ 0.0009825900000000, 0.0002826400000000, -0.0013982200000000 ] - [ 0.0011483100000000, -0.0002187100000000, -0.0011018000000000 ] - [ -0.0020527000000000, -0.0001884100000000, 0.0031458300000000 ] - [ -0.0003265500000000, 0.0000098700000000, -0.0015151200000000 ] - [ 0.0055856800000000, 0.0000984800000000, -0.0003566900000000 ] - [ 0.0005454200000000, -0.0002516600000000, -0.0015106000000000 ] - [ -0.0086677400000000, -0.0012954000000000, -0.0007479700000000 ] - [ -0.0012786700000000, -0.0002442600000000, -0.0005390900000000 ] - [ 0.0027258000000000, 0.0002292700000000, 0.0000738200000000 ] - [ 0.0021900500000000, 0.0001701700000000, -0.0022674800000000 ] - [ -0.0007627000000000, -0.0019900900000000, -0.0065399700000000 ] - [ -0.0001624300000000, 0.0001195100000000, 0.0004981500000000 ] - [ 0.0004737600000000, -0.0001872200000000, -0.0001942500000000 ] - [ 0.0008275600000000, -0.0001836900000000, -0.0062119200000000 ] - [ 0.0117676600000000, -0.0062194300000000, -0.0200666600000000 ] - [ -0.0001029500000000, 0.0002207000000000, -0.0003162100000000 ] - [ 0.0005652900000000, 0.0001309000000000, 0.0001237300000000 ] - [ 0.0003270300000000, 0.0010634700000000, -0.0043042800000000 ] - [ 0.0093395300000000, -0.0002787200000000, 0.0068208700000000 ] - [ 0.0074386900000000, 0.0091201200000000, -0.0059189800000000 ] - [ 0.0003726000000000, 0.0000586100000000, 0.0003591900000000 ] - [ 0.0001488200000000, -0.0008550700000000, -0.0036852600000000 ] - [ -0.2055742200000000, -0.0525813500000000, 0.2229263700000000 ] - [ 0.0002522800000000, 0.0000335400000000, -0.0002172500000000 ] - [ 0.0002201000000000, -0.0000534000000000, 0.0005734400000000 ] - [ 0.0006827700000000, -0.0002578600000000, -0.0035887500000000 ] - [ 0.0024104100000000, 0.0000179400000000, 0.0004406000000000 ] - [ 0.0000041400000000, -0.0000487100000000, -0.0000545400000000 ] - [ 0.0000587400000000, 0.0000072100000000, 0.0004204000000000 ] - [ -0.0017230600000000, -0.0003013300000000, -0.0042074100000000 ] - [ 0.0006924400000000, 0.0001941800000000, -0.0008766300000000 ] - [ 0.0007925900000000, 0.0002514800000000, 0.0000876200000000 ] - [ -0.0006153500000000, -0.0001351400000000, 0.0001402900000000 ] - [ -0.0003760700000000, -0.0000931800000000, 0.0011358300000000 ] - [ 0.0016736700000000, 0.0003775000000000, -0.0013771800000000 ] - [ 0.0007201700000000, 0.0001338400000000, -0.0002097500000000 ] - [ 0.0003226700000000, -0.0001231500000000, -0.0001842100000000 ] - [ -0.0036838800000000, 0.0003723000000000, 0.0028371800000000 ] - [ 0.0000240800000000, 0.0008313600000000, -0.0017721300000000 ] - [ 0.0004551900000000, 0.0003236500000000, 0.0003589700000000 ] - [ -0.0001906400000000, -0.0001556900000000, -0.0002781600000000 ] - [ 0.0014387300000000, 0.0009444200000000, 0.0024971900000000 ] - [ 0.0000678400000000, -0.0006210600000000, -0.0019798100000000 ] - [ 0.0001864400000000, -0.0000256700000000, 0.0005103600000000 ] - [ -0.0000851600000000, -0.0001560400000000, -0.0001198200000000 ] - [ 0.0012941500000000, -0.0012963600000000, 0.0021072300000000 ] - [ -0.0003210700000000, -0.0000968000000000, -0.0029616700000000 ] - [ 0.0008115400000000, 0.0000683600000000, 0.0004096400000000 ] - [ 0.0002471600000000, -0.0001578700000000, -0.0000692200000000 ] - [ -0.0002298500000000, -0.0004333200000000, -0.0002578500000000 ] - [ 0.0084247300000000, 0.0003817900000000, 0.0002531900000000 ] - [ 0.0016053700000000, 0.0004486800000000, 0.0018806500000000 ] - [ -0.0038083200000000, -0.0003835400000000, 0.0021310100000000 ] - [ -0.0022325000000000, 0.0000792200000000, 0.0024953000000000 ] - [ 0.0098802800000000, 0.0086534600000000, 0.0105019100000000 ] - [ 0.0009683400000000, 0.0000307100000000, 0.0000268600000000 ] - [ -0.0019096200000000, -0.0000824100000000, 0.0000194900000000 ] - [ -0.0022903600000000, -0.0005013000000000, 0.0080853000000000 ] - [ 0.1689409500000000, 0.0453116200000000, -0.1976132600000000 ] - [ -0.0002754300000000, 0.0001014000000000, 0.0008474300000000 ] - [ -0.0008296400000000, 0.0001302100000000, -0.0004359000000000 ] - [ -0.0002405800000000, 0.0004383400000000, 0.0060118900000000 ] - [ -0.0064609200000000, 0.0008516200000000, -0.0018294000000000 ] - [ 0.0001028500000000, -0.0000130400000000, 0.0004977200000000 ] - [ -0.0005984400000000, 0.0000177800000000, -0.0004421800000000 ] - [ -0.0002551500000000, 0.0004537000000000, 0.0035792300000000 ] - [ 0.0018619800000000, -0.0005021400000000, -0.0052996800000000 ] - [ 0.0000978300000000, -0.0000229400000000, 0.0003848500000000 ] - [ -0.0010679300000000, -0.0000279800000000, -0.0004224800000000 ] - [ -0.0011769600000000, -0.0002465600000000, 0.0028320700000000 ] - [ 0.0008335300000000, -0.0000270000000000, 0.0039883200000000 ] - [ -0.0000925900000000, -0.0000095700000000, -0.0017978000000000 ] - [ -0.0004111200000000, 0.0000140600000000, 0.0017226000000000 ] - [ 0.0006372300000000, -0.0007693100000000, -0.0117309300000000 ] - [ -0.0042563500000000, -0.0004744000000000, 0.0057262200000000 ] - [ -0.0002209800000000, -0.0000766800000000, -0.0003556100000000 ] - [ -0.0004045300000000, 0.0001087900000000, -0.0000338600000000 ] - [ 0.0069939600000000, 0.0000075200000000, -0.0003386000000000 ] - [ -0.0016092000000000, -0.0001033500000000, 0.0002100200000000 ] - [ -0.0005889600000000, 0.0000053500000000, 0.0004618400000000 ] - [ -0.0004611300000000, 0.0000217100000000, -0.0006806800000000 ] - [ 0.0016647000000000, -0.0001200600000000, 0.0003365200000000 ]- atom: 29 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0013268900000000, -0.0004531900000000, 0.0005793200000000 ] - [ 0.0008962900000000, 0.0004446000000000, 0.0004722200000000 ] - [ 0.0005762600000000, -0.0001525200000000, -0.0002086300000000 ] - [ 0.0008008200000000, 0.0001999000000000, 0.0001644700000000 ] - [ 0.0015329200000000, 0.0001687900000000, 0.0000871500000000 ] - [ 0.0013598500000000, 0.0000087800000000, 0.0000982700000000 ] - [ 0.0016619100000000, 0.0000525100000000, -0.0005419000000000 ] - [ 0.0007589000000000, -0.0000997900000000, 0.0004089500000000 ] - [ 0.0039972100000000, 0.0001385300000000, 0.0003927400000000 ] - [ 0.0024536600000000, -0.0001400200000000, 0.0002696800000000 ] - [ 0.0022900200000000, 0.0001813300000000, 0.0001931000000000 ] - [ 0.0008288100000000, 0.0001829000000000, 0.0001489200000000 ] - [ 0.0012912200000000, 0.0002607300000000, 0.0017128200000000 ] - [ 0.0014673900000000, 0.0002906700000000, 0.0000749900000000 ] - [ 0.0009595500000000, -0.0001904100000000, 0.0004865200000000 ] - [ -0.0000464600000000, -0.0001154000000000, -0.0007683600000000 ] - [ 0.0037880700000000, 0.0014944300000000, 0.0007680500000000 ] - [ 0.0009796600000000, -0.0001676100000000, -0.0002283500000000 ] - [ 0.0009980900000000, 0.0002812100000000, 0.0003511300000000 ] - [ -0.0002887000000000, -0.0002092100000000, 0.0001188000000000 ] - [ 0.0081391600000000, 0.0015855100000000, -0.0206167800000000 ] - [ 0.0024554000000000, -0.0011085200000000, -0.0000628200000000 ] - [ 0.0009742900000000, -0.0000562400000000, 0.0005367100000000 ] - [ -0.0003983700000000, 0.0004239800000000, 0.0000999800000000 ] - [ 0.0029306800000000, 0.0000774000000000, -0.0019784800000000 ] - [ 0.0011766000000000, 0.0000538800000000, 0.0001639900000000 ] - [ 0.0016906500000000, -0.0000630200000000, 0.0001881800000000 ] - [ 0.0002153900000000, 0.0002582500000000, 0.0017888500000000 ] - [ -0.0673599800000000, -0.0200290500000000, 0.0516272500000000 ] - [ 0.0007922100000000, -0.0001623500000000, -0.0005796600000000 ] - [ 0.0005665200000000, -0.0001274500000000, 0.0017462500000000 ] - [ -0.0017742500000000, 0.0000191500000000, -0.0010362500000000 ] - [ -0.0016890100000000, 0.0004567300000000, -0.0038559500000000 ] - [ 0.0104844500000000, 0.0014241900000000, -0.0008629000000000 ] - [ -0.0007250300000000, -0.0001500100000000, 0.0003353000000000 ] - [ -0.0012573600000000, 0.0002190100000000, 0.0006935200000000 ] - [ -0.0062495800000000, -0.0002165600000000, -0.0015481400000000 ] - [ 0.0041752300000000, 0.0002494700000000, -0.0008417700000000 ] - [ 0.0006735800000000, -0.0001293400000000, 0.0000094000000000 ] - [ -0.0041357000000000, 0.0005792300000000, 0.0011342200000000 ] - [ -0.0021465100000000, 0.0008913400000000, -0.0016176400000000 ] - [ 0.0025607200000000, 0.0011537400000000, 0.0023150200000000 ] - [ 0.0000018800000000, -0.0001865000000000, -0.0004279500000000 ] - [ -0.0066315900000000, 0.0028746000000000, 0.0101372400000000 ] - [ -0.0015507100000000, -0.0007180500000000, -0.0014455600000000 ] - [ 0.0014362600000000, -0.0006649200000000, 0.0023795300000000 ] - [ 0.0003746900000000, -0.0000118800000000, -0.0005397700000000 ] - [ -0.0095101300000000, -0.0022806700000000, 0.0031743600000000 ] - [ -0.0036828200000000, 0.0000932000000000, 0.0013296900000000 ] - [ 0.0031004700000000, -0.0001186500000000, 0.0007581300000000 ] - [ 0.0016530900000000, 0.0000199300000000, 0.0000551400000000 ] - [ 0.0007334600000000, -0.0000996800000000, 0.0001215200000000 ] - [ -0.0036453700000000, 0.0002696200000000, -0.0007107500000000 ] - [ -0.0025156300000000, -0.0001881700000000, -0.0010601500000000 ] - [ -0.0023440000000000, -0.0000059500000000, -0.0000429700000000 ] - [ -0.0012428800000000, -0.0002450200000000, -0.0000693200000000 ] - [ -0.0045364700000000, -0.0019023100000000, -0.0022853500000000 ] - [ -0.0024943200000000, 0.0001981900000000, 0.0002873300000000 ] - [ -0.0023147500000000, -0.0002277600000000, -0.0005328600000000 ] - [ -0.0002884000000000, -0.0000044800000000, 0.0003216900000000 ] - [ -0.0096524900000000, 0.0017259200000000, 0.0011868900000000 ] - [ -0.0020000200000000, -0.0001697900000000, 0.0001842800000000 ] - [ -0.0030798000000000, 0.0002643500000000, -0.0005764200000000 ] - [ 0.0024169000000000, -0.0002586300000000, -0.0012094600000000 ] - [ 0.0543723100000000, 0.0108637200000000, -0.0490860400000000 ] - [ -0.0011805800000000, -0.0001593400000000, 0.0012010500000000 ] - [ -0.0031792500000000, 0.0002843900000000, -0.0027801500000000 ] - [ 0.0042989600000000, 0.0004472600000000, 0.0012111600000000 ] - [ 0.0040345000000000, -0.0034051400000000, -0.0024201200000000 ] - [ -0.0000871300000000, 0.0000882200000000, 0.0005562500000000 ] - [ -0.0071325900000000, -0.0008825600000000, -0.0035608800000000 ] - [ 0.0050992100000000, -0.0004831000000000, 0.0028476700000000 ] - [ -0.0015082900000000, 0.0000026300000000, -0.0017406500000000 ] - [ -0.0023621100000000, -0.0000176300000000, 0.0001988500000000 ] - [ -0.0017367700000000, 0.0000145000000000, -0.0000464500000000 ] - [ -0.0022609800000000, 0.0000348100000000, 0.0006611900000000 ] - [ 0.0110441000000000, -0.0000206400000000, 0.0030062600000000 ] - [ -0.0026611600000000, -0.0000844100000000, 0.0001549100000000 ] - [ -0.0013925200000000, 0.0001284600000000, -0.0008224100000000 ] - [ 0.0022953500000000, -0.0000571400000000, 0.0037565700000000 ] - [ 0.0091392000000000, 0.0073490300000000, 0.0022906000000000 ] - [ -0.0015573800000000, 0.0000548700000000, 0.0034886000000000 ] - [ -0.0001539900000000, 0.0000311900000000, -0.0022015800000000 ] - [ 0.0019703200000000, -0.0000780600000000, 0.0000317700000000 ]- atom: 29 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0010139600000000, 0.0004248100000000, -0.0003299300000000 ] - [ -0.0012132200000000, -0.0004740100000000, -0.0007221800000000 ] - [ -0.0008909300000000, 0.0001812900000000, -0.0000410900000000 ] - [ -0.0004857600000000, -0.0001711300000000, 0.0000844300000000 ] - [ -0.0019089400000000, -0.0000544300000000, 0.0003931100000000 ] - [ -0.0009882800000000, 0.0001056400000000, -0.0005777400000000 ] - [ -0.0012875400000000, -0.0001669100000000, 0.0000645300000000 ] - [ -0.0011335400000000, -0.0000147200000000, 0.0000674500000000 ] - [ -0.0040147200000000, -0.0004712800000000, -0.0004857700000000 ] - [ -0.0024487500000000, -0.0001896300000000, -0.0001755500000000 ] - [ -0.0022829500000000, 0.0001480900000000, -0.0000966700000000 ] - [ -0.0008351100000000, 0.0001467200000000, -0.0002472300000000 ] - [ -0.0012107900000000, -0.0000043600000000, -0.0020207400000000 ] - [ -0.0015516000000000, -0.0000334300000000, 0.0002300800000000 ] - [ -0.0010466100000000, -0.0000657100000000, -0.0001792800000000 ] - [ 0.0001381700000000, -0.0001401600000000, 0.0004588700000000 ] - [ -0.0039810700000000, -0.0012727300000000, -0.0004862500000000 ] - [ -0.0008266600000000, 0.0004004000000000, -0.0000423900000000 ] - [ -0.0008455900000000, -0.0005133400000000, -0.0006171500000000 ] - [ 0.0001374500000000, -0.0000213600000000, 0.0001424100000000 ] - [ -0.0086666100000000, -0.0018901300000000, 0.0205955500000000 ] - [ -0.0023126300000000, 0.0005140400000000, 0.0001164900000000 ] - [ -0.0011188100000000, 0.0006490100000000, -0.0005706900000000 ] - [ 0.0005442800000000, 0.0001670400000000, -0.0000694100000000 ] - [ -0.0030747000000000, -0.0000011400000000, 0.0017074100000000 ] - [ -0.0010293700000000, 0.0000233400000000, 0.0001160100000000 ] - [ -0.0015425000000000, -0.0000143600000000, 0.0000950700000000 ] - [ -0.0003671800000000, -0.0003368000000000, -0.0020789500000000 ] - [ 0.0668362800000000, 0.0194821300000000, -0.0507363400000000 ] - [ -0.0010683400000000, 0.0001261300000000, 0.0008750000000000 ] - [ -0.0008530100000000, 0.0001606500000000, -0.0014348900000000 ] - [ 0.0020585800000000, 0.0000150900000000, 0.0007218300000000 ] - [ 0.0019088600000000, -0.0001095200000000, 0.0036837800000000 ] - [ -0.0106109600000000, -0.0010714400000000, 0.0010138200000000 ] - [ 0.0004969900000000, -0.0001972700000000, -0.0001810700000000 ] - [ 0.0014532700000000, -0.0005754900000000, -0.0008896100000000 ] - [ 0.0056111300000000, 0.0004808100000000, 0.0019861400000000 ] - [ -0.0035259700000000, 0.0000147700000000, 0.0004151900000000 ] - [ -0.0000473100000000, -0.0001327600000000, -0.0004416700000000 ] - [ 0.0035271900000000, -0.0008451000000000, -0.0007403500000000 ] - [ 0.0021940100000000, -0.0004609700000000, 0.0016527100000000 ] - [ -0.0026051000000000, -0.0007175800000000, -0.0023425200000000 ] - [ -0.0000539300000000, -0.0002403500000000, 0.0003789600000000 ] - [ 0.0066453800000000, -0.0033123700000000, -0.0101700000000000 ] - [ 0.0016957600000000, 0.0009394200000000, 0.0011058400000000 ] - [ -0.0015786200000000, 0.0008827500000000, -0.0020306500000000 ] - [ -0.0005190100000000, -0.0002110200000000, 0.0008626200000000 ] - [ 0.0096324600000000, 0.0021270300000000, -0.0036467700000000 ] - [ 0.0032347600000000, 0.0001944100000000, -0.0016310600000000 ] - [ -0.0026411300000000, 0.0004074900000000, -0.0004688300000000 ] - [ -0.0011963800000000, -0.0003089800000000, 0.0002259900000000 ] - [ -0.0008790300000000, -0.0004941800000000, -0.0001595000000000 ] - [ 0.0036860000000000, -0.0001129100000000, 0.0008759600000000 ] - [ 0.0024865800000000, 0.0003456700000000, 0.0008963100000000 ] - [ 0.0023111800000000, -0.0001508400000000, -0.0001224500000000 ] - [ 0.0012756500000000, 0.0000883100000000, 0.0002364100000000 ] - [ 0.0046709100000000, 0.0019782800000000, 0.0022145700000000 ] - [ 0.0023734700000000, -0.0001381400000000, -0.0002189100000000 ] - [ 0.0021930000000000, 0.0001677900000000, 0.0005952300000000 ] - [ 0.0004088900000000, -0.0000559800000000, -0.0003777500000000 ] - [ 0.0100941700000000, -0.0016638300000000, -0.0018556800000000 ] - [ 0.0015574300000000, 0.0002324100000000, 0.0004324100000000 ] - [ 0.0026355400000000, -0.0003267100000000, 0.0011852800000000 ] - [ -0.0019740200000000, 0.0001979200000000, 0.0006108400000000 ] - [ -0.0538004500000000, -0.0106445600000000, 0.0480658200000000 ] - [ 0.0013502800000000, 0.0001780100000000, -0.0010644600000000 ] - [ 0.0033468500000000, -0.0003017000000000, 0.0028855000000000 ] - [ -0.0044783000000000, -0.0004673200000000, -0.0013191000000000 ] - [ -0.0036253600000000, 0.0034081400000000, 0.0024516300000000 ] - [ -0.0003186500000000, -0.0001125100000000, -0.0004673300000000 ] - [ 0.0066971500000000, 0.0008999200000000, 0.0036091600000000 ] - [ -0.0046726700000000, 0.0005082800000000, -0.0029122300000000 ] - [ 0.0015666300000000, -0.0000340500000000, 0.0009866000000000 ] - [ 0.0023094900000000, -0.0000138000000000, 0.0005594100000000 ] - [ 0.0016855100000000, 0.0000170300000000, 0.0008085000000000 ] - [ 0.0023139100000000, -0.0000032200000000, -0.0014261100000000 ] - [ -0.0111120900000000, -0.0001477400000000, -0.0029673100000000 ] - [ 0.0025929100000000, -0.0000932600000000, -0.0004702700000000 ] - [ 0.0013335500000000, 0.0000495700000000, 0.0005074700000000 ] - [ -0.0022531500000000, 0.0002353900000000, -0.0034345800000000 ] - [ -0.0084237900000000, -0.0071285700000000, -0.0023224000000000 ] - [ 0.0010932600000000, -0.0000731700000000, -0.0035376500000000 ] - [ -0.0002671900000000, -0.0000137000000000, 0.0021371200000000 ] - [ -0.0015146300000000, 0.0000968600000000, 0.0000589900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002140600000000, -0.0000400200000000, 0.0001789400000000 ] - [ -0.0001192300000000, 0.0000137200000000, -0.0000600100000000 ] - [ -0.0000977300000000, 0.0000103300000000, -0.0001567100000000 ] - [ 0.0002038300000000, 0.0000175800000000, 0.0000993900000000 ] - [ -0.0000851400000000, 0.0000589200000000, 0.0002703200000000 ] - [ 0.0001956300000000, 0.0000590400000000, -0.0002077900000000 ] - [ 0.0003194100000000, -0.0000465700000000, -0.0002614500000000 ] - [ -0.0001373800000000, -0.0000638000000000, 0.0002029900000000 ] - [ 0.0001151200000000, -0.0000602200000000, 0.0000059200000000 ] - [ 0.0001172200000000, -0.0001639600000000, 0.0000538200000000 ] - [ 0.0001512600000000, 0.0001651700000000, 0.0000635200000000 ] - [ 0.0001151400000000, 0.0001693200000000, -0.0001391400000000 ] - [ -0.0001183500000000, 0.0004095200000000, 0.0000305100000000 ] - [ 0.0000683000000000, 0.0001426700000000, 0.0001398200000000 ] - [ -0.0000169900000000, -0.0001257400000000, 0.0001805200000000 ] - [ 0.0002821600000000, -0.0000767000000000, -0.0003448100000000 ] - [ 0.0008537400000000, -0.0001587700000000, 0.0003576400000000 ] - [ 0.0001299300000000, 0.0001077900000000, -0.0001771200000000 ] - [ 0.0001244600000000, -0.0000857500000000, -0.0000640000000000 ] - [ -0.0000000400000000, -0.0000636900000000, -0.0001539000000000 ] - [ 0.0006160700000000, -0.0067200200000000, -0.0009544800000000 ] - [ -0.0005265400000000, -0.0001050700000000, 0.0005281500000000 ] - [ -0.0000066000000000, 0.0002619500000000, 0.0000477500000000 ] - [ 0.0000767000000000, 0.0002159800000000, -0.0001863400000000 ] - [ 0.0003025200000000, 0.0001027300000000, -0.0001217800000000 ] - [ 0.0001172600000000, 0.0000371000000000, 0.0001155700000000 ] - [ 0.0001857900000000, -0.0000437200000000, 0.0001686800000000 ] - [ -0.0002354200000000, -0.0000017200000000, -0.0004868700000000 ] - [ -0.0199273500000000, -0.0636541500000000, 0.0782315600000000 ] - [ 0.0000086600000000, -0.0000487700000000, -0.0000455800000000 ] - [ -0.0002838100000000, 0.0000053700000000, 0.0004838100000000 ] - [ 0.0001338200000000, -0.0000201500000000, -0.0006607600000000 ] - [ 0.0000008300000000, 0.0001329400000000, -0.0011018100000000 ] - [ 0.0004376500000000, 0.0022378400000000, 0.0003917800000000 ] - [ -0.0003131600000000, -0.0001471700000000, -0.0000866400000000 ] - [ -0.0013230600000000, 0.0006406600000000, -0.0018473400000000 ] - [ -0.0008186000000000, 0.0021964600000000, 0.0000624800000000 ] - [ 0.0006178100000000, 0.0000464700000000, -0.0002268200000000 ] - [ 0.0002133100000000, -0.0001314900000000, -0.0002728100000000 ] - [ 0.0001946600000000, 0.0007964600000000, -0.0018995300000000 ] - [ -0.0000567600000000, 0.0004367300000000, -0.0004522800000000 ] - [ 0.0005832300000000, 0.0003342600000000, 0.0006667400000000 ] - [ -0.0001435700000000, -0.0001603900000000, -0.0002515000000000 ] - [ 0.0008063600000000, -0.0006980200000000, 0.0083801800000000 ] - [ -0.0000908400000000, -0.0000114100000000, -0.0005559000000000 ] - [ -0.0000105900000000, -0.0000036700000000, 0.0005662000000000 ] - [ -0.0000663600000000, -0.0001523600000000, -0.0000858300000000 ] - [ -0.0025306800000000, 0.0204856800000000, -0.0244096300000000 ] - [ -0.0002163500000000, 0.0001979800000000, -0.0004961800000000 ] - [ 0.0004773800000000, 0.0001450300000000, 0.0002859300000000 ] - [ 0.0002727300000000, -0.0001362900000000, 0.0000620200000000 ] - [ -0.0000354900000000, -0.0002979600000000, -0.0000416900000000 ] - [ -0.0001623400000000, 0.0000914900000000, -0.0000251800000000 ] - [ -0.0001142100000000, 0.0000659100000000, -0.0001828900000000 ] - [ -0.0001881100000000, -0.0000742000000000, -0.0000463100000000 ] - [ -0.0000894300000000, -0.0000858600000000, 0.0001329100000000 ] - [ -0.0003284700000000, -0.0011033100000000, -0.0003178600000000 ] - [ -0.0001901700000000, 0.0000402700000000, 0.0000871900000000 ] - [ -0.0001890000000000, -0.0000407400000000, -0.0000424800000000 ] - [ -0.0000871100000000, -0.0000559300000000, 0.0003658200000000 ] - [ -0.0002546900000000, 0.0014072100000000, -0.0011868800000000 ] - [ -0.0002929900000000, 0.0000270400000000, 0.0003672900000000 ] - [ -0.0004195800000000, 0.0000002000000000, 0.0001762100000000 ] - [ 0.0002230100000000, 0.0000277400000000, 0.0001669100000000 ] - [ 0.0114524700000000, 0.0470753700000000, -0.0592489600000000 ] - [ 0.0000538400000000, -0.0000081300000000, 0.0004347600000000 ] - [ -0.0001944900000000, -0.0001653500000000, -0.0006600000000000 ] - [ -0.0000490800000000, -0.0000151400000000, 0.0006626500000000 ] - [ 0.0022051600000000, -0.0071477800000000, 0.0051105200000000 ] - [ 0.0000375600000000, -0.0000076600000000, 0.0003693500000000 ] - [ -0.0010597800000000, 0.0004456500000000, -0.0004485600000000 ] - [ 0.0008755700000000, 0.0000139200000000, 0.0007200900000000 ] - [ 0.0000714100000000, -0.0000082900000000, -0.0003859600000000 ] - [ -0.0001841100000000, -0.0000159700000000, 0.0003358700000000 ] - [ -0.0000921900000000, 0.0000151700000000, 0.0003929100000000 ] - [ -0.0001986500000000, 0.0000125500000000, -0.0004238700000000 ] - [ -0.0000396300000000, 0.0022870600000000, -0.0005623900000000 ] - [ -0.0002836200000000, -0.0000897000000000, -0.0001341400000000 ] - [ 0.0000011700000000, 0.0000922700000000, -0.0001757200000000 ] - [ -0.0004043100000000, 0.0001047200000000, 0.0006827600000000 ] - [ 0.0091613900000000, 0.0006978800000000, -0.0029286500000000 ] - [ -0.0006006000000000, 0.0000019900000000, 0.0004503900000000 ] - [ 0.0001788900000000, 0.0001712400000000, -0.0002513700000000 ] - [ 0.0003871000000000, 0.0000302800000000, 0.0007400700000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001043800000000, 0.0000097100000000, 0.0000729900000000 ] - [ -0.0001926900000000, -0.0000408600000000, -0.0001871400000000 ] - [ -0.0002135400000000, 0.0000175900000000, -0.0000944800000000 ] - [ 0.0001140400000000, 0.0000115000000000, 0.0001493800000000 ] - [ -0.0002826900000000, 0.0000556400000000, 0.0002089400000000 ] - [ 0.0001808700000000, 0.0000551400000000, -0.0002694900000000 ] - [ 0.0000616800000000, -0.0000674000000000, -0.0002178900000000 ] - [ -0.0002328300000000, -0.0000509500000000, 0.0002739000000000 ] - [ -0.0001128300000000, -0.0002674100000000, -0.0000967100000000 ] - [ -0.0001015300000000, -0.0001659100000000, 0.0000415700000000 ] - [ -0.0001338700000000, 0.0001644800000000, 0.0000324900000000 ] - [ -0.0001187100000000, 0.0001603500000000, 0.0000418600000000 ] - [ 0.0001961600000000, -0.0001509300000000, -0.0003294300000000 ] - [ -0.0001468300000000, 0.0001155400000000, 0.0001640700000000 ] - [ -0.0000640300000000, -0.0001316600000000, 0.0001252700000000 ] - [ -0.0001934800000000, -0.0001797900000000, 0.0000338300000000 ] - [ -0.0009950000000000, 0.0004029400000000, -0.0000712400000000 ] - [ 0.0000270400000000, 0.0001231200000000, -0.0000924400000000 ] - [ 0.0000323800000000, -0.0001449300000000, -0.0002013600000000 ] - [ -0.0001524000000000, -0.0001681700000000, 0.0004148200000000 ] - [ -0.0009779900000000, 0.0064579600000000, 0.0005702400000000 ] - [ 0.0006692200000000, -0.0005019300000000, -0.0004757200000000 ] - [ -0.0001334400000000, 0.0003297000000000, -0.0000808600000000 ] - [ 0.0000654900000000, 0.0003760900000000, 0.0002171900000000 ] - [ -0.0004252200000000, -0.0000295500000000, -0.0001598200000000 ] - [ 0.0000352100000000, 0.0000400000000000, 0.0001653000000000 ] - [ -0.0000310500000000, -0.0000337300000000, 0.0001138000000000 ] - [ 0.0000868500000000, -0.0000738100000000, 0.0002088900000000 ] - [ 0.0196172200000000, 0.0626197400000000, -0.0781669000000000 ] - [ -0.0002799800000000, 0.0000121900000000, 0.0003398700000000 ] - [ 0.0000044900000000, 0.0000289400000000, -0.0001728000000000 ] - [ 0.0001375600000000, 0.0000536900000000, 0.0003449900000000 ] - [ 0.0002224300000000, 0.0002141900000000, 0.0009040500000000 ] - [ -0.0006452800000000, -0.0018763800000000, -0.0002174000000000 ] - [ 0.0000872000000000, -0.0002005500000000, 0.0002449800000000 ] - [ 0.0015384400000000, -0.0010067600000000, 0.0016880100000000 ] - [ 0.0001755700000000, -0.0019330800000000, 0.0003177500000000 ] - [ 0.0000218900000000, 0.0002142800000000, -0.0001992600000000 ] - [ 0.0004142700000000, -0.0001308100000000, -0.0001548100000000 ] - [ -0.0008324200000000, -0.0010761500000000, 0.0023249900000000 ] - [ 0.0000980700000000, 0.0000014900000000, 0.0004774900000000 ] - [ -0.0006107500000000, 0.0000965600000000, -0.0006868200000000 ] - [ 0.0000950600000000, -0.0002676700000000, 0.0002048500000000 ] - [ -0.0007633400000000, 0.0001979800000000, -0.0084389300000000 ] - [ 0.0002300000000000, 0.0002259400000000, 0.0002025800000000 ] - [ -0.0001285700000000, 0.0002225600000000, -0.0002202300000000 ] - [ -0.0000752400000000, -0.0000710600000000, 0.0004111800000000 ] - [ 0.0027032700000000, -0.0208412600000000, 0.0244185500000000 ] - [ -0.0002569200000000, 0.0000902900000000, 0.0002118500000000 ] - [ -0.0000065700000000, 0.0001438100000000, 0.0000012700000000 ] - [ 0.0001913700000000, -0.0001525100000000, 0.0002179100000000 ] - [ -0.0001060600000000, -0.0002948300000000, 0.0000053900000000 ] - [ 0.0001850200000000, 0.0000658200000000, 0.0001863300000000 ] - [ 0.0000749100000000, 0.0000900200000000, 0.0000129500000000 ] - [ 0.0001457400000000, -0.0000822400000000, -0.0001188200000000 ] - [ 0.0001169300000000, -0.0000713800000000, 0.0000343700000000 ] - [ 0.0004557000000000, 0.0011488300000000, 0.0002338900000000 ] - [ 0.0000584000000000, 0.0000202100000000, -0.0000189000000000 ] - [ 0.0000565400000000, -0.0000198700000000, 0.0001056300000000 ] - [ 0.0002085600000000, -0.0000035400000000, -0.0004223100000000 ] - [ 0.0006174000000000, -0.0013124800000000, 0.0005293700000000 ] - [ -0.0001562100000000, 0.0000347500000000, 0.0002464800000000 ] - [ -0.0000338000000000, -0.0000618000000000, 0.0004313800000000 ] - [ 0.0002319400000000, -0.0000913600000000, -0.0007729200000000 ] - [ -0.0115182900000000, -0.0462286000000000, 0.0587010100000000 ] - [ 0.0001082400000000, 0.0000268400000000, -0.0002978100000000 ] - [ 0.0003476600000000, 0.0001417800000000, 0.0007638900000000 ] - [ -0.0001008400000000, 0.0000015000000000, -0.0007668800000000 ] - [ -0.0017884300000000, 0.0072186500000000, -0.0051855900000000 ] - [ -0.0004452100000000, -0.0000162000000000, -0.0002868700000000 ] - [ 0.0006215200000000, -0.0004150900000000, 0.0005083600000000 ] - [ -0.0004541300000000, 0.0000019200000000, -0.0007596000000000 ] - [ -0.0000198000000000, -0.0000229600000000, -0.0003744500000000 ] - [ 0.0001216700000000, -0.0000155000000000, 0.0004215900000000 ] - [ 0.0000330200000000, 0.0000160700000000, 0.0003660700000000 ] - [ 0.0002415800000000, 0.0000187000000000, -0.0003347900000000 ] - [ 0.0001517200000000, -0.0024656500000000, 0.0008974500000000 ] - [ 0.0002085400000000, -0.0000879500000000, -0.0001820200000000 ] - [ -0.0000676600000000, 0.0000852900000000, -0.0001423600000000 ] - [ 0.0004654200000000, 0.0000710500000000, -0.0003372400000000 ] - [ -0.0083565900000000, -0.0004429100000000, 0.0029200300000000 ] - [ 0.0001307200000000, -0.0000204600000000, -0.0005008100000000 ] - [ -0.0006113700000000, -0.0001544300000000, 0.0001848100000000 ] - [ 0.0000741400000000, -0.0000123100000000, -0.0006587300000000 ]- atom: 29 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0002157900000000, 0.0001850000000000, -0.0004427100000000 ] - [ 0.0000978300000000, -0.0001748900000000, -0.0007855600000000 ] - [ -0.0003286000000000, -0.0001630000000000, 0.0005298500000000 ] - [ 0.0001462700000000, 0.0002101400000000, 0.0006873700000000 ] - [ -0.0003051400000000, 0.0001041100000000, -0.0003349000000000 ] - [ 0.0010452300000000, -0.0000193400000000, -0.0004924900000000 ] - [ -0.0006091500000000, -0.0001265400000000, 0.0000914700000000 ] - [ 0.0000280000000000, -0.0000183600000000, 0.0008307300000000 ] - [ -0.0000624500000000, -0.0001413800000000, -0.0018254500000000 ] - [ 0.0003613800000000, -0.0001689300000000, 0.0000048100000000 ] - [ -0.0001877400000000, 0.0001576900000000, 0.0001081900000000 ] - [ -0.0000430500000000, 0.0001628000000000, 0.0011401100000000 ] - [ 0.0038391200000000, -0.0011348900000000, -0.0037063400000000 ] - [ -0.0002453200000000, 0.0001016000000000, 0.0000937700000000 ] - [ 0.0002361100000000, -0.0001619400000000, 0.0002375800000000 ] - [ -0.0015807800000000, -0.0006127500000000, 0.0020648400000000 ] - [ -0.0001134800000000, -0.0013141700000000, -0.0068342000000000 ] - [ 0.0000703200000000, 0.0000604300000000, 0.0000899300000000 ] - [ 0.0001644000000000, -0.0001426200000000, -0.0003497200000000 ] - [ -0.0006610000000000, -0.0007876900000000, 0.0034209800000000 ] - [ -0.0223904400000000, -0.0012078500000000, 0.0112725700000000 ] - [ -0.0021480700000000, 0.0021319000000000, -0.0051384700000000 ] - [ -0.0000530600000000, 0.0003686700000000, -0.0002126800000000 ] - [ 0.0002568100000000, 0.0013326400000000, 0.0025566300000000 ] - [ -0.0047387200000000, 0.0003347200000000, -0.0010855400000000 ] - [ 0.0002547700000000, 0.0000608400000000, 0.0003951700000000 ] - [ -0.0000133800000000, -0.0000159500000000, -0.0001135900000000 ] - [ 0.0018623600000000, 0.0005860900000000, 0.0039231600000000 ] - [ 0.0629116300000000, 0.0829570900000000, -0.3851430300000000 ] - [ -0.0009984700000000, 0.0001948900000000, 0.0011566800000000 ] - [ 0.0013285300000000, 0.0003649000000000, -0.0012111700000000 ] - [ -0.0004409300000000, 0.0005144400000000, 0.0046888800000000 ] - [ -0.0028076600000000, 0.0002191800000000, 0.0010199500000000 ] - [ -0.0053580000000000, -0.0006418700000000, -0.0024020500000000 ] - [ 0.0006262100000000, -0.0002957700000000, 0.0021030200000000 ] - [ 0.0042827400000000, 0.0016547600000000, 0.0048026000000000 ] - [ -0.0040210300000000, 0.0004037100000000, 0.0058738300000000 ] - [ -0.0011960600000000, 0.0000052500000000, -0.0008411900000000 ] - [ 0.0010491600000000, -0.0001978800000000, 0.0010412400000000 ] - [ -0.0026878600000000, 0.0013516700000000, 0.0060106700000000 ] - [ -0.0012304800000000, -0.0008368100000000, 0.0036492600000000 ] - [ -0.0011457500000000, -0.0005185800000000, -0.0026184900000000 ] - [ 0.0004495000000000, -0.0007024000000000, 0.0014418700000000 ] - [ 0.0047535900000000, 0.0054493100000000, 0.0220579600000000 ] - [ -0.0012640200000000, 0.0010610000000000, 0.0042711200000000 ] - [ -0.0001171900000000, 0.0005851000000000, -0.0025028500000000 ] - [ -0.0001111900000000, 0.0002315400000000, 0.0018843700000000 ] - [ 0.0028879900000000, -0.0132507800000000, 0.0120444000000000 ] - [ -0.0009331600000000, 0.0003698700000000, 0.0040058100000000 ] - [ 0.0002131300000000, 0.0001071600000000, -0.0006203700000000 ] - [ 0.0003168100000000, -0.0001421200000000, 0.0007545200000000 ] - [ -0.0000125700000000, -0.0002087800000000, 0.0001887700000000 ] - [ 0.0000208800000000, 0.0000702800000000, 0.0011958600000000 ] - [ -0.0007337800000000, 0.0000974600000000, 0.0007599400000000 ] - [ 0.0004771200000000, -0.0000184400000000, -0.0009773700000000 ] - [ -0.0001427000000000, -0.0001191700000000, -0.0010122200000000 ] - [ -0.0006989600000000, 0.0002703900000000, 0.0085120500000000 ] - [ -0.0002139400000000, 0.0000131100000000, -0.0001439400000000 ] - [ -0.0000975900000000, -0.0000691400000000, 0.0001762400000000 ] - [ 0.0004815800000000, 0.0001599600000000, -0.0043821100000000 ] - [ 0.0146952900000000, -0.0028351700000000, 0.0121977500000000 ] - [ -0.0003765000000000, -0.0000151500000000, -0.0001838200000000 ] - [ -0.0002402500000000, -0.0000737500000000, 0.0008104900000000 ] - [ -0.0000308700000000, -0.0006509000000000, -0.0059622000000000 ] - [ -0.0540709300000000, -0.0649362200000000, 0.3206720300000000 ] - [ 0.0001206300000000, 0.0000019900000000, -0.0021042600000000 ] - [ -0.0000916600000000, 0.0001274800000000, 0.0032860900000000 ] - [ 0.0015520600000000, -0.0003161100000000, -0.0071038500000000 ] - [ -0.0007200300000000, -0.0082177500000000, -0.0132180700000000 ] - [ -0.0011943400000000, 0.0001946600000000, -0.0025482600000000 ] - [ 0.0026260600000000, 0.0004857800000000, 0.0040549100000000 ] - [ 0.0062709800000000, -0.0000051700000000, -0.0073257100000000 ] - [ -0.0020385300000000, -0.0000145400000000, -0.0012032700000000 ] - [ 0.0002637400000000, -0.0000080800000000, 0.0008010900000000 ] - [ -0.0004528100000000, 0.0000233200000000, -0.0000598400000000 ] - [ 0.0018987800000000, -0.0000288400000000, -0.0002794800000000 ] - [ 0.0000147300000000, -0.0000841900000000, 0.0087202000000000 ] - [ 0.0006868300000000, -0.0001109300000000, 0.0000963000000000 ] - [ -0.0009038500000000, 0.0000724900000000, -0.0006185400000000 ] - [ 0.0039014000000000, 0.0002177900000000, -0.0060641000000000 ] - [ -0.0000523200000000, -0.0024040700000000, 0.0126268700000000 ] - [ 0.0028170600000000, -0.0000829900000000, -0.0015675300000000 ] - [ -0.0061610900000000, 0.0001037500000000, -0.0012868600000000 ] - [ 0.0008000900000000, -0.0001290700000000, -0.0056497100000000 ]- atom: 29 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0000979500000000, -0.0002140300000000, 0.0006936900000000 ] - [ -0.0004144400000000, 0.0001471200000000, 0.0005380300000000 ] - [ 0.0000119000000000, 0.0001927200000000, -0.0007836300000000 ] - [ 0.0001661300000000, -0.0001829700000000, -0.0004414400000000 ] - [ -0.0000704800000000, 0.0000100600000000, 0.0008126500000000 ] - [ -0.0006772700000000, 0.0001341500000000, 0.0000152200000000 ] - [ 0.0009813100000000, 0.0000123700000000, -0.0005727900000000 ] - [ -0.0004061500000000, -0.0000957500000000, -0.0003545900000000 ] - [ 0.0000591200000000, -0.0001858500000000, 0.0017340100000000 ] - [ -0.0003595800000000, -0.0001606400000000, 0.0000903800000000 ] - [ 0.0001908200000000, 0.0001719100000000, -0.0000155600000000 ] - [ 0.0000266800000000, 0.0001671200000000, -0.0012398700000000 ] - [ -0.0037587200000000, 0.0013989300000000, 0.0034217200000000 ] - [ 0.0001559500000000, 0.0001552500000000, 0.0002121200000000 ] - [ -0.0003221900000000, -0.0000952900000000, 0.0000647500000000 ] - [ 0.0016629800000000, 0.0003556700000000, -0.0023767400000000 ] - [ -0.0000132300000000, 0.0015541900000000, 0.0071022200000000 ] - [ 0.0000811500000000, 0.0001716000000000, -0.0003570400000000 ] - [ -0.0000127900000000, -0.0000907400000000, 0.0000777700000000 ] - [ 0.0005074200000000, 0.0005583200000000, -0.0031612400000000 ] - [ 0.0216994400000000, 0.0008769900000000, -0.0114320700000000 ] - [ 0.0023112800000000, -0.0027202400000000, 0.0051648000000000 ] - [ -0.0000936600000000, 0.0002256900000000, 0.0001730200000000 ] - [ -0.0001126700000000, -0.0007430400000000, -0.0025275400000000 ] - [ 0.0045751900000000, -0.0002545100000000, 0.0007965300000000 ] - [ -0.0001081400000000, 0.0000163400000000, -0.0001143300000000 ] - [ 0.0001584700000000, -0.0000610200000000, 0.0003926600000000 ] - [ -0.0020274500000000, -0.0006672100000000, -0.0042266700000000 ] - [ -0.0587531600000000, -0.0777446700000000, 0.3659329600000000 ] - [ 0.0007186700000000, -0.0002290500000000, -0.0008488800000000 ] - [ -0.0016040800000000, -0.0003278900000000, 0.0015016000000000 ] - [ 0.0007225300000000, -0.0004796200000000, -0.0049943900000000 ] - [ 0.0030479700000000, 0.0001285600000000, -0.0011556900000000 ] - [ 0.0050772800000000, 0.0009849700000000, 0.0025752200000000 ] - [ -0.0008422800000000, -0.0000523900000000, -0.0019371600000000 ] - [ -0.0040457200000000, -0.0019848400000000, -0.0049643900000000 ] - [ 0.0034135800000000, -0.0001384900000000, -0.0054549300000000 ] - [ 0.0018090900000000, 0.0002564900000000, 0.0004160600000000 ] - [ -0.0004132800000000, -0.0000647400000000, -0.0014667200000000 ] - [ 0.0020493500000000, -0.0016011900000000, -0.0055839200000000 ] - [ 0.0012928500000000, 0.0012630200000000, -0.0036067500000000 ] - [ 0.0010817100000000, 0.0009432200000000, 0.0025579200000000 ] - [ -0.0004939100000000, 0.0002709300000000, -0.0014787600000000 ] - [ -0.0046086700000000, -0.0058199200000000, -0.0216869600000000 ] - [ 0.0014161000000000, -0.0008361500000000, -0.0046021500000000 ] - [ -0.0000314200000000, -0.0003597400000000, 0.0028181500000000 ] - [ -0.0000318500000000, -0.0004523400000000, -0.0015454400000000 ] - [ -0.0027328200000000, 0.0128958600000000, -0.0123863100000000 ] - [ 0.0004811000000000, -0.0000812700000000, -0.0042962000000000 ] - [ 0.0002382900000000, 0.0001822200000000, 0.0008982600000000 ] - [ 0.0001427100000000, -0.0001469500000000, -0.0004703600000000 ] - [ -0.0001334100000000, -0.0003837400000000, -0.0002245100000000 ] - [ 0.0000115000000000, 0.0000865400000000, -0.0010350400000000 ] - [ 0.0007081500000000, 0.0000590900000000, -0.0009313700000000 ] - [ -0.0005054800000000, -0.0001389200000000, 0.0008146000000000 ] - [ 0.0001843100000000, -0.0000371900000000, 0.0011816200000000 ] - [ 0.0008052300000000, -0.0002196700000000, -0.0086106000000000 ] - [ 0.0000957700000000, 0.0000468700000000, 0.0002050700000000 ] - [ -0.0000218200000000, 0.0000095200000000, -0.0001082700000000 ] - [ -0.0003504100000000, -0.0002213700000000, 0.0043232000000000 ] - [ -0.0142503200000000, 0.0028782200000000, -0.0127418800000000 ] - [ -0.0000663500000000, 0.0000775000000000, 0.0007922600000000 ] - [ -0.0001970800000000, 0.0000102200000000, -0.0001941400000000 ] - [ 0.0004729300000000, 0.0005911800000000, 0.0053647800000000 ] - [ 0.0504580700000000, 0.0598741500000000, -0.3018491900000000 ] - [ 0.0000442300000000, 0.0000167900000000, 0.0022188800000000 ] - [ 0.0002680600000000, -0.0001455800000000, -0.0031383000000000 ] - [ -0.0017324300000000, 0.0002950400000000, 0.0069800100000000 ] - [ 0.0011464300000000, 0.0081079100000000, 0.0131570600000000 ] - [ 0.0007736700000000, -0.0002175000000000, 0.0026139900000000 ] - [ -0.0029954900000000, -0.0004580400000000, -0.0039523800000000 ] - [ -0.0058993300000000, 0.0000353500000000, 0.0072455800000000 ] - [ 0.0021053400000000, -0.0000168700000000, 0.0004412600000000 ] - [ -0.0003134800000000, -0.0000232100000000, -0.0000411900000000 ] - [ 0.0004037500000000, 0.0000079200000000, 0.0008190200000000 ] - [ -0.0018428200000000, 0.0000602400000000, -0.0004756900000000 ] - [ -0.0002844900000000, -0.0000691200000000, -0.0088547300000000 ] - [ -0.0007441400000000, -0.0000669900000000, -0.0004169100000000 ] - [ 0.0008370000000000, 0.0001049800000000, 0.0003031100000000 ] - [ -0.0038289700000000, -0.0000390700000000, 0.0063763000000000 ] - [ 0.0005524800000000, 0.0023641800000000, -0.0125795400000000 ] - [ -0.0032746300000000, 0.0000652700000000, 0.0014768600000000 ] - [ 0.0056807600000000, -0.0000838600000000, 0.0012240800000000 ] - [ -0.0003501300000000, 0.0001470000000000, 0.0057088700000000 ]- atom: 33 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0013999400000000, -0.0004008700000000, 0.0003559300000000 ] - [ 0.0011623600000000, 0.0003790200000000, 0.0000460100000000 ] - [ 0.0008018300000000, -0.0003802300000000, 0.0002962600000000 ] - [ 0.0011788900000000, 0.0004118700000000, 0.0004946800000000 ] - [ 0.0014881700000000, 0.0001726800000000, 0.0001715000000000 ] - [ 0.0022146000000000, -0.0000800700000000, -0.0003462400000000 ] - [ 0.0015200900000000, 0.0000105500000000, -0.0000672200000000 ] - [ 0.0014976100000000, -0.0001485600000000, 0.0003724900000000 ] - [ 0.0031770300000000, -0.0002062800000000, -0.0004056500000000 ] - [ 0.0036541600000000, -0.0001938400000000, 0.0002047100000000 ] - [ 0.0023660900000000, 0.0001468000000000, 0.0003697100000000 ] - [ 0.0027625000000000, 0.0001851600000000, 0.0005931400000000 ] - [ 0.0033287400000000, -0.0003202500000000, -0.0013432700000000 ] - [ 0.0019945700000000, 0.0003176700000000, 0.0005197200000000 ] - [ 0.0010097300000000, -0.0002145800000000, 0.0002304300000000 ] - [ 0.0006680200000000, -0.0001871700000000, 0.0008188500000000 ] - [ 0.0009444800000000, 0.0000929300000000, -0.0014532200000000 ] - [ 0.0018253200000000, -0.0004215600000000, -0.0001030200000000 ] - [ 0.0007934500000000, 0.0002520500000000, 0.0002371300000000 ] - [ 0.0008093000000000, -0.0007625000000000, 0.0016332700000000 ] - [ -0.0006173900000000, -0.0001218100000000, -0.0007944200000000 ] - [ 0.0005987600000000, -0.0001118400000000, -0.0009184000000000 ] - [ 0.0006551200000000, -0.0000503500000000, 0.0005365200000000 ] - [ 0.0014478100000000, 0.0009689700000000, 0.0016145200000000 ] - [ 0.0007786900000000, 0.0000602500000000, -0.0005947000000000 ] - [ 0.0020882800000000, 0.0000001500000000, -0.0004662000000000 ] - [ 0.0014400100000000, -0.0001286700000000, 0.0008629300000000 ] - [ 0.0020551500000000, -0.0000167900000000, 0.0006713800000000 ] - [ -0.0016480500000000, -0.0001253100000000, -0.0033801000000000 ] - [ 0.0104473400000000, -0.0005536000000000, -0.0035211700000000 ] - [ -0.0007522300000000, -0.0001829300000000, 0.0007985000000000 ] - [ -0.0012131100000000, 0.0014462200000000, 0.0038616400000000 ] - [ -0.2763796100000000, 0.0634735700000000, -0.1081114400000000 ] - [ -0.0056642800000000, 0.0000159700000000, 0.0050302200000000 ] - [ -0.0037848600000000, 0.0001934800000000, -0.0020654000000000 ] - [ -0.0023899900000000, -0.0003698300000000, -0.0004636800000000 ] - [ 0.0296541100000000, -0.0050587600000000, -0.0011054200000000 ] - [ 0.0004928600000000, 0.0000802100000000, 0.0038762600000000 ] - [ 0.0001708100000000, 0.0000717000000000, -0.0023469100000000 ] - [ -0.0018161000000000, -0.0001369300000000, 0.0002057300000000 ] - [ -0.0023727500000000, -0.0078000800000000, 0.0086180500000000 ] - [ -0.0015215700000000, 0.0010755900000000, 0.0015400000000000 ] - [ -0.0010022600000000, 0.0011663900000000, -0.0045971600000000 ] - [ -0.0015770000000000, -0.0005364900000000, -0.0014271400000000 ] - [ 0.0023159000000000, 0.0031863800000000, 0.0126093500000000 ] - [ -0.0005817800000000, -0.0003655700000000, 0.0020250300000000 ] - [ 0.0007127300000000, -0.0012963700000000, -0.0052493000000000 ] - [ -0.0005634000000000, 0.0003854300000000, -0.0016250300000000 ] - [ 0.0019926800000000, 0.0007866700000000, 0.0021064000000000 ] - [ 0.0009270500000000, -0.0000157400000000, 0.0013267600000000 ] - [ 0.0041503000000000, 0.0001500500000000, -0.0021568400000000 ] - [ 0.0015816100000000, 0.0000225800000000, 0.0001399700000000 ] - [ -0.0032321300000000, 0.0003315600000000, -0.0003148900000000 ] - [ -0.0037024200000000, -0.0001548900000000, -0.0004973200000000 ] - [ -0.0024864400000000, 0.0001458400000000, -0.0008153400000000 ] - [ -0.0028551100000000, -0.0002778700000000, -0.0006595300000000 ] - [ -0.0030685000000000, 0.0000232000000000, 0.0026540500000000 ] - [ -0.0039271600000000, 0.0004590500000000, -0.0001628400000000 ] - [ -0.0022513000000000, -0.0001800300000000, -0.0002780900000000 ] - [ -0.0025258700000000, 0.0001201100000000, -0.0020591700000000 ] - [ -0.0002693300000000, 0.0000612500000000, 0.0014599800000000 ] - [ -0.0045053900000000, -0.0002943600000000, 0.0006527600000000 ] - [ -0.0017993000000000, 0.0002262700000000, -0.0008156700000000 ] - [ -0.0034165000000000, -0.0002126000000000, -0.0031635800000000 ] - [ 0.0013766000000000, -0.0001732700000000, 0.0029140500000000 ] - [ -0.0041666100000000, 0.0003010900000000, 0.0103296100000000 ] - [ 0.0001737900000000, 0.0002860400000000, -0.0017436200000000 ] - [ -0.0012526700000000, -0.0052076700000000, -0.0063451200000000 ] - [ 0.0030141400000000, 0.0000214900000000, 0.0014737000000000 ] - [ 0.0023455300000000, -0.0005187800000000, 0.0069951000000000 ] - [ 0.0023169000000000, -0.0002237400000000, -0.0051437100000000 ] - [ 0.2191654800000000, -0.0466634500000000, 0.0891597800000000 ] - [ -0.0032642800000000, -0.0000179200000000, -0.0011057500000000 ] - [ -0.0025031900000000, -0.0000212400000000, -0.0003284000000000 ] - [ -0.0026301500000000, 0.0000125100000000, 0.0003286400000000 ] - [ -0.0018655600000000, 0.0000060700000000, -0.0006032700000000 ] - [ -0.0051978700000000, -0.0004700200000000, 0.0027506400000000 ] - [ -0.0041960500000000, -0.0001836200000000, -0.0033560500000000 ] - [ -0.0011617800000000, 0.0001459200000000, 0.0008798500000000 ] - [ 0.0001896800000000, 0.0000204900000000, -0.0010766600000000 ] - [ 0.0148170500000000, -0.0001706900000000, -0.0006063600000000 ] - [ 0.0130883700000000, -0.0022404400000000, -0.0000293200000000 ] - [ 0.0026437000000000, 0.0000118500000000, 0.0003417800000000 ] - [ 0.0069247100000000, -0.0000275200000000, -0.0004604000000000 ]- atom: 33 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0010867800000000, 0.0003732000000000, -0.0001046200000000 ] - [ -0.0014787800000000, -0.0004069200000000, -0.0002966800000000 ] - [ -0.0011168200000000, 0.0004083000000000, -0.0005481300000000 ] - [ -0.0008644200000000, -0.0003840800000000, -0.0002450800000000 ] - [ -0.0018640500000000, -0.0000583300000000, 0.0003082600000000 ] - [ -0.0018433600000000, 0.0001947100000000, -0.0001327900000000 ] - [ -0.0011467800000000, -0.0001248100000000, -0.0004106800000000 ] - [ -0.0018721300000000, 0.0000341900000000, 0.0001034200000000 ] - [ -0.0031906000000000, -0.0001235500000000, 0.0003153200000000 ] - [ -0.0036482700000000, -0.0001362400000000, -0.0001107600000000 ] - [ -0.0023605100000000, 0.0001831200000000, -0.0002752200000000 ] - [ -0.0027691500000000, 0.0001447400000000, -0.0006903700000000 ] - [ -0.0032595000000000, 0.0005795300000000, 0.0010455900000000 ] - [ -0.0020806600000000, -0.0000601700000000, -0.0002135600000000 ] - [ -0.0010962100000000, -0.0000424800000000, 0.0000727400000000 ] - [ -0.0005798100000000, -0.0000696900000000, -0.0011255100000000 ] - [ -0.0010983000000000, 0.0001426000000000, 0.0017318400000000 ] - [ -0.0016712800000000, 0.0006540600000000, -0.0001645100000000 ] - [ -0.0006422300000000, -0.0004853000000000, -0.0005050700000000 ] - [ -0.0009586800000000, 0.0005298300000000, -0.0013697700000000 ] - [ 0.0001704200000000, -0.0001692700000000, 0.0005140000000000 ] - [ -0.0004515500000000, -0.0004836400000000, 0.0009633700000000 ] - [ -0.0008022700000000, 0.0006436200000000, -0.0005738600000000 ] - [ -0.0012994900000000, -0.0003767700000000, -0.0015826800000000 ] - [ -0.0009245600000000, 0.0000166100000000, 0.0003174600000000 ] - [ -0.0019404000000000, 0.0000770300000000, 0.0007458400000000 ] - [ -0.0012948400000000, 0.0000514600000000, -0.0005795500000000 ] - [ -0.0022013500000000, -0.0000601400000000, -0.0009619900000000 ] - [ 0.0019487100000000, 0.0000953300000000, 0.0030907100000000 ] - [ -0.0106481500000000, 0.0005280400000000, 0.0038172200000000 ] - [ 0.0004706300000000, 0.0002191500000000, -0.0005010700000000 ] - [ 0.0014978900000000, -0.0014143900000000, -0.0041519300000000 ] - [ 0.2875690400000000, -0.0667792300000000, 0.1149822500000000 ] - [ 0.0053953800000000, 0.0003228700000000, -0.0048886400000000 ] - [ 0.0035566500000000, -0.0005405400000000, 0.0022268700000000 ] - [ 0.0026085200000000, 0.0000213500000000, 0.0002961300000000 ] - [ -0.0309610100000000, 0.0054461000000000, 0.0015584100000000 ] - [ 0.0001255700000000, 0.0001795400000000, -0.0042966500000000 ] - [ 0.0004580700000000, -0.0003335900000000, 0.0019157900000000 ] - [ 0.0011880500000000, -0.0001246200000000, 0.0002189700000000 ] - [ 0.0025553400000000, 0.0082156600000000, -0.0085512500000000 ] - [ 0.0014593800000000, -0.0006509000000000, -0.0015865800000000 ] - [ 0.0009484200000000, -0.0015934300000000, 0.0045447000000000 ] - [ 0.0016282600000000, 0.0001074400000000, 0.0014675500000000 ] - [ -0.0021264600000000, -0.0029606500000000, -0.0130231900000000 ] - [ 0.0004283400000000, 0.0005908400000000, -0.0017008200000000 ] - [ -0.0008596400000000, 0.0010691500000000, 0.0055772700000000 ] - [ 0.0007212800000000, -0.0006171500000000, 0.0012776100000000 ] - [ -0.0024144800000000, -0.0004939900000000, -0.0023989000000000 ] - [ -0.0004765400000000, 0.0003055300000000, -0.0010424800000000 ] - [ -0.0036866600000000, -0.0004394200000000, 0.0024306600000000 ] - [ -0.0017265500000000, -0.0006149900000000, -0.0001776700000000 ] - [ 0.0032694600000000, -0.0001749900000000, 0.0004793900000000 ] - [ 0.0036724500000000, 0.0003119700000000, 0.0003307200000000 ] - [ 0.0024548900000000, -0.0003018000000000, 0.0006492100000000 ] - [ 0.0028873000000000, 0.0001218100000000, 0.0008277800000000 ] - [ 0.0031975500000000, 0.0000358100000000, -0.0027390700000000 ] - [ 0.0038041000000000, -0.0003983100000000, 0.0002273200000000 ] - [ 0.0021302200000000, 0.0001206700000000, 0.0003446200000000 ] - [ 0.0026461100000000, -0.0001783600000000, 0.0019977400000000 ] - [ 0.0007042200000000, 0.0000022100000000, -0.0020874000000000 ] - [ 0.0040571300000000, 0.0003563200000000, -0.0000382100000000 ] - [ 0.0013610200000000, -0.0002886800000000, 0.0014273900000000 ] - [ 0.0038487400000000, 0.0001470900000000, 0.0025620100000000 ] - [ -0.0015587700000000, 0.0002005900000000, -0.0030438200000000 ] - [ 0.0043289600000000, -0.0002781700000000, -0.0101797600000000 ] - [ 0.0000040200000000, -0.0003080300000000, 0.0018756200000000 ] - [ 0.0010359000000000, 0.0052039500000000, 0.0061766200000000 ] - [ -0.0026007200000000, -0.0000475100000000, -0.0015374000000000 ] - [ -0.0027537000000000, 0.0004946100000000, -0.0069105200000000 ] - [ -0.0026896600000000, 0.0002576700000000, 0.0052160500000000 ] - [ -0.2294836200000000, 0.0502333400000000, -0.0962001700000000 ] - [ 0.0033236300000000, -0.0000130400000000, 0.0003514600000000 ] - [ 0.0024509500000000, -0.0000100600000000, 0.0010861900000000 ] - [ 0.0025774300000000, 0.0000188900000000, 0.0004333300000000 ] - [ 0.0019187100000000, 0.0000252100000000, -0.0001597100000000 ] - [ 0.0052734400000000, 0.0002963200000000, -0.0024433900000000 ] - [ 0.0041261900000000, 0.0000052800000000, 0.0030288000000000 ] - [ 0.0010980600000000, 0.0000319500000000, -0.0011921100000000 ] - [ -0.0001323800000000, 0.0001572400000000, 0.0013898200000000 ] - [ -0.0144002400000000, 0.0001591500000000, 0.0007566100000000 ] - [ -0.0132813200000000, 0.0021777300000000, -0.0000550800000000 ] - [ -0.0030976800000000, 0.0000064100000000, -0.0004024400000000 ] - [ -0.0064600700000000, 0.0000450600000000, 0.0005164200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000575400000000, 0.0000117200000000, 0.0001221200000000 ] - [ -0.0002673900000000, -0.0000394700000000, -0.0001175500000000 ] - [ -0.0002488100000000, 0.0000568700000000, -0.0001822800000000 ] - [ 0.0000573300000000, -0.0000278900000000, 0.0000760700000000 ] - [ -0.0003230900000000, 0.0000479300000000, 0.0002449700000000 ] - [ -0.0000065500000000, 0.0000708000000000, -0.0002099200000000 ] - [ 0.0000734300000000, -0.0000618300000000, -0.0002696700000000 ] - [ -0.0003473800000000, -0.0000488200000000, 0.0002266600000000 ] - [ -0.0002164600000000, -0.0001593200000000, -0.0000183800000000 ] - [ -0.0003112700000000, -0.0001607700000000, 0.0000442000000000 ] - [ -0.0002187100000000, 0.0001665700000000, 0.0000087800000000 ] - [ -0.0002987600000000, 0.0001760000000000, -0.0001156300000000 ] - [ -0.0001484700000000, 0.0001093500000000, -0.0000128400000000 ] - [ -0.0002221500000000, 0.0001116800000000, 0.0001344100000000 ] - [ -0.0001359200000000, -0.0001228300000000, 0.0001299000000000 ] - [ -0.0000126500000000, -0.0001124100000000, -0.0002863500000000 ] - [ -0.0001266800000000, 0.0001269800000000, 0.0002841900000000 ] - [ -0.0000755000000000, 0.0001553900000000, -0.0001211300000000 ] - [ 0.0000032200000000, -0.0001546300000000, -0.0001848500000000 ] - [ -0.0002573800000000, -0.0000019600000000, -0.0001561300000000 ] - [ 0.0000041000000000, -0.0001822100000000, -0.0001845500000000 ] - [ 0.0000851000000000, -0.0003166300000000, 0.0001021700000000 ] - [ -0.0001525700000000, 0.0003329400000000, -0.0000802400000000 ] - [ -0.0000481000000000, 0.0001331100000000, -0.0001702400000000 ] - [ -0.0001047700000000, 0.0000472200000000, -0.0001681400000000 ] - [ -0.0000955000000000, 0.0000431000000000, 0.0001899300000000 ] - [ -0.0000597900000000, -0.0000313900000000, 0.0000823000000000 ] - [ -0.0004636800000000, -0.0000879900000000, -0.0001152100000000 ] - [ 0.0004173800000000, -0.0000574600000000, -0.0000699100000000 ] - [ -0.0013716300000000, 0.0020268600000000, 0.0007678400000000 ] - [ -0.0001181500000000, 0.0000432100000000, 0.0000350700000000 ] - [ -0.0002646800000000, 0.0008526400000000, -0.0020524800000000 ] - [ 0.0647911600000000, -0.0731913900000000, 0.0370550800000000 ] - [ 0.0000292700000000, 0.0028396500000000, -0.0003075100000000 ] - [ 0.0002444000000000, -0.0001246700000000, 0.0001778700000000 ] - [ 0.0002976400000000, -0.0001416400000000, -0.0001619500000000 ] - [ -0.0028295500000000, -0.0095713100000000, -0.0003720600000000 ] - [ 0.0002048300000000, 0.0000376500000000, -0.0003580900000000 ] - [ 0.0003711200000000, -0.0001298200000000, -0.0001087900000000 ] - [ -0.0000893100000000, -0.0000992000000000, 0.0000210400000000 ] - [ -0.0154767300000000, 0.0227984300000000, -0.0186084500000000 ] - [ 0.0000709300000000, 0.0002892200000000, -0.0001236300000000 ] - [ 0.0002747800000000, -0.0003964900000000, 0.0002334700000000 ] - [ 0.0001462900000000, -0.0002362900000000, 0.0000020000000000 ] - [ 0.0056988800000000, 0.0002540500000000, 0.0065186100000000 ] - [ -0.0001809800000000, 0.0001643500000000, -0.0001272800000000 ] - [ -0.0001607000000000, 0.0001150300000000, 0.0005362000000000 ] - [ 0.0004467100000000, -0.0001730300000000, -0.0005709300000000 ] - [ -0.0023307500000000, 0.0006988200000000, -0.0008593500000000 ] - [ 0.0000961600000000, 0.0001637100000000, 0.0000429900000000 ] - [ -0.0000553000000000, -0.0002320500000000, 0.0003824900000000 ] - [ -0.0002043100000000, -0.0003160900000000, -0.0000225300000000 ] - [ 0.0002545800000000, 0.0000576300000000, 0.0000911100000000 ] - [ 0.0003050900000000, 0.0000937900000000, -0.0000820200000000 ] - [ 0.0002116000000000, -0.0001009300000000, 0.0000128200000000 ] - [ 0.0003135000000000, -0.0000593900000000, 0.0001741000000000 ] - [ 0.0002501100000000, 0.0000247300000000, -0.0002746100000000 ] - [ 0.0002711000000000, -0.0000099500000000, 0.0000267000000000 ] - [ 0.0001498200000000, -0.0000132000000000, 0.0000869500000000 ] - [ 0.0003146300000000, -0.0001334700000000, 0.0002012000000000 ] - [ 0.0000957100000000, 0.0000239000000000, -0.0004325500000000 ] - [ 0.0001184800000000, 0.0000623000000000, 0.0002630800000000 ] - [ -0.0000354800000000, -0.0000594600000000, 0.0004244000000000 ] - [ 0.0010037000000000, 0.0002859000000000, 0.0001644100000000 ] - [ -0.0003997000000000, 0.0002374800000000, -0.0001156500000000 ] - [ 0.0003278400000000, 0.0003834600000000, -0.0010041400000000 ] - [ 0.0002054500000000, -0.0000633800000000, 0.0002901100000000 ] - [ 0.0018726600000000, -0.0068583400000000, 0.0033827200000000 ] - [ -0.0000582500000000, -0.0001344100000000, 0.0002495700000000 ] - [ -0.0004930300000000, -0.0001605000000000, -0.0004655900000000 ] - [ -0.0000311900000000, 0.0001226200000000, 0.0006866100000000 ] - [ -0.0478662400000000, 0.0465797600000000, -0.0239791600000000 ] - [ 0.0003404200000000, -0.0000144700000000, -0.0003752900000000 ] - [ 0.0001915900000000, -0.0000156700000000, 0.0004409400000000 ] - [ 0.0002081900000000, 0.0000156600000000, 0.0003875700000000 ] - [ 0.0001773900000000, 0.0000172300000000, -0.0003169600000000 ] - [ 0.0001030700000000, -0.0000563900000000, -0.0004700400000000 ] - [ 0.0003315100000000, -0.0000906600000000, 0.0000688500000000 ] - [ 0.0000531200000000, 0.0000842300000000, -0.0001946000000000 ] - [ 0.0000309000000000, 0.0001113900000000, 0.0004936600000000 ] - [ -0.0006432200000000, 0.0036940000000000, -0.0001766500000000 ] - [ -0.0030828500000000, 0.0097335500000000, -0.0011103700000000 ] - [ -0.0004345600000000, 0.0000158500000000, 0.0000709600000000 ] - [ -0.0002326000000000, 0.0005310500000000, 0.0001995600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002655600000000, -0.0000429300000000, 0.0001292400000000 ] - [ -0.0000395000000000, 0.0000134400000000, -0.0001308000000000 ] - [ -0.0000601500000000, -0.0000308600000000, -0.0000649100000000 ] - [ 0.0002643200000000, 0.0000591400000000, 0.0001758800000000 ] - [ -0.0000385700000000, 0.0000677400000000, 0.0002323400000000 ] - [ 0.0003916400000000, 0.0000430300000000, -0.0002685200000000 ] - [ 0.0003081600000000, -0.0000524500000000, -0.0002067700000000 ] - [ -0.0000150600000000, -0.0000665800000000, 0.0002515400000000 ] - [ 0.0002289700000000, -0.0001704600000000, -0.0000790900000000 ] - [ 0.0003423300000000, -0.0001685100000000, 0.0000517500000000 ] - [ 0.0002425900000000, 0.0001623800000000, 0.0000893700000000 ] - [ 0.0003069000000000, 0.0001535800000000, 0.0000236500000000 ] - [ 0.0002554000000000, 0.0001443300000000, -0.0003007000000000 ] - [ 0.0001515100000000, 0.0001464000000000, 0.0001733200000000 ] - [ 0.0000574100000000, -0.0001338400000000, 0.0001781500000000 ] - [ 0.0001018200000000, -0.0001443000000000, -0.0000152100000000 ] - [ -0.0000195700000000, 0.0001053200000000, -0.0000242700000000 ] - [ 0.0002390000000000, 0.0000742900000000, -0.0001490500000000 ] - [ 0.0001546200000000, -0.0000752900000000, -0.0000803600000000 ] - [ 0.0001087900000000, -0.0002340200000000, 0.0004316100000000 ] - [ -0.0004625300000000, -0.0001069000000000, -0.0001066500000000 ] - [ 0.0000643900000000, -0.0002751900000000, -0.0000710300000000 ] - [ 0.0000128600000000, 0.0002575600000000, 0.0000485800000000 ] - [ 0.0002018600000000, 0.0004628300000000, 0.0002158900000000 ] - [ -0.0000364500000000, 0.0000305000000000, -0.0001175800000000 ] - [ 0.0002545200000000, 0.0000341100000000, 0.0000885400000000 ] - [ 0.0002159500000000, -0.0000466600000000, 0.0002051500000000 ] - [ 0.0003275500000000, 0.0000099900000000, -0.0001612900000000 ] - [ -0.0001493800000000, 0.0000241600000000, -0.0002472300000000 ] - [ 0.0011249600000000, -0.0020870700000000, -0.0004976000000000 ] - [ -0.0001647300000000, -0.0000104400000000, 0.0002735800000000 ] - [ 0.0005283400000000, -0.0007950700000000, 0.0017511600000000 ] - [ -0.0653719300000000, 0.0741681600000000, -0.0370469200000000 ] - [ -0.0002769500000000, -0.0024987500000000, 0.0005520800000000 ] - [ -0.0004885000000000, -0.0002223000000000, -0.0000267900000000 ] - [ -0.0000944100000000, -0.0002083800000000, -0.0000056000000000 ] - [ 0.0023735000000000, 0.0097675100000000, 0.0008003200000000 ] - [ 0.0004358100000000, 0.0002273000000000, -0.0000263500000000 ] - [ 0.0002595100000000, -0.0001336200000000, -0.0003319100000000 ] - [ -0.0005505300000000, -0.0001624600000000, 0.0004052900000000 ] - [ 0.0152774500000000, -0.0222235800000000, 0.0183402900000000 ] - [ -0.0001336000000000, 0.0001512200000000, 0.0000916900000000 ] - [ -0.0003369500000000, -0.0000293200000000, -0.0002985900000000 ] - [ -0.0001085000000000, -0.0001948100000000, 0.0000288300000000 ] - [ -0.0054729700000000, 0.0000554500000000, -0.0067468200000000 ] - [ 0.0000349000000000, 0.0000499200000000, 0.0004780400000000 ] - [ 0.0000245500000000, -0.0003360700000000, -0.0002547000000000 ] - [ -0.0003000100000000, -0.0000505700000000, 0.0002208300000000 ] - [ 0.0018671600000000, -0.0003961400000000, 0.0005799100000000 ] - [ 0.0003675800000000, 0.0001231700000000, 0.0002533000000000 ] - [ 0.0005351100000000, -0.0000524500000000, -0.0001062600000000 ] - [ 0.0000692200000000, -0.0002754800000000, -0.0000138400000000 ] - [ -0.0002414900000000, 0.0001012500000000, 0.0000708600000000 ] - [ -0.0003622200000000, 0.0000619300000000, -0.0000854800000000 ] - [ -0.0002619300000000, -0.0000546200000000, -0.0001825000000000 ] - [ -0.0002966900000000, -0.0000990500000000, -0.0000136100000000 ] - [ -0.0001481400000000, 0.0000364700000000, 0.0002272300000000 ] - [ -0.0004182000000000, 0.0000726000000000, 0.0000381900000000 ] - [ -0.0002869000000000, -0.0000485300000000, -0.0000274500000000 ] - [ -0.0002074800000000, 0.0000727400000000, -0.0002760100000000 ] - [ 0.0003455500000000, 0.0000379100000000, -0.0001701300000000 ] - [ -0.0005891300000000, -0.0000016500000000, 0.0003531000000000 ] - [ -0.0004226000000000, -0.0000011200000000, 0.0001796000000000 ] - [ -0.0005745900000000, -0.0003456500000000, -0.0007923000000000 ] - [ 0.0002375700000000, -0.0002148100000000, 0.0000087200000000 ] - [ -0.0001697800000000, -0.0003797500000000, 0.0011835400000000 ] - [ -0.0000357300000000, 0.0000522700000000, -0.0001794300000000 ] - [ -0.0020225300000000, 0.0067281800000000, -0.0035177700000000 ] - [ 0.0004923000000000, 0.0001088000000000, -0.0003083500000000 ] - [ 0.0000944200000000, 0.0001454200000000, 0.0005885300000000 ] - [ -0.0003666200000000, -0.0001106800000000, -0.0006566600000000 ] - [ 0.0484055500000000, -0.0472001500000000, 0.0239207400000000 ] - [ -0.0003072800000000, -0.0000169600000000, -0.0003903500000000 ] - [ -0.0002615300000000, -0.0000160000000000, 0.0003150000000000 ] - [ -0.0002776000000000, 0.0000159400000000, 0.0003727300000000 ] - [ -0.0001361100000000, 0.0000142800000000, -0.0004448200000000 ] - [ -0.0000603100000000, -0.0001252500000000, 0.0007973300000000 ] - [ -0.0004266500000000, -0.0000872500000000, -0.0004020100000000 ] - [ -0.0001250100000000, 0.0000946000000000, -0.0001163400000000 ] - [ 0.0000350700000000, 0.0000670500000000, -0.0001824100000000 ] - [ 0.0011830100000000, -0.0037144400000000, 0.0002457500000000 ] - [ 0.0032055800000000, -0.0097930900000000, 0.0010396600000000 ] - [ -0.0000027500000000, 0.0000014600000000, -0.0001359400000000 ] - [ 0.0007282800000000, -0.0005089200000000, -0.0001509200000000 ]- atom: 33 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0000551800000000, 0.0000883200000000, -0.0001199600000000 ] - [ -0.0002425900000000, -0.0001300600000000, -0.0004111600000000 ] - [ -0.0000114300000000, -0.0001245000000000, 0.0001830000000000 ] - [ 0.0003330800000000, 0.0001449300000000, 0.0003886100000000 ] - [ -0.0002327300000000, 0.0000536400000000, 0.0002329800000000 ] - [ 0.0002744000000000, 0.0000352000000000, -0.0004781500000000 ] - [ 0.0002051800000000, -0.0000735000000000, -0.0000113800000000 ] - [ -0.0000387900000000, -0.0000664400000000, 0.0002385500000000 ] - [ -0.0007478100000000, -0.0001767800000000, -0.0000615200000000 ] - [ -0.0001726100000000, -0.0001640200000000, -0.0001869600000000 ] - [ 0.0003510200000000, 0.0001592600000000, 0.0002824000000000 ] - [ 0.0009593300000000, 0.0001483700000000, 0.0001289900000000 ] - [ -0.0007356200000000, 0.0001543100000000, -0.0005954200000000 ] - [ 0.0001809400000000, 0.0002128100000000, -0.0003328800000000 ] - [ -0.0001216200000000, -0.0000647000000000, 0.0005932100000000 ] - [ 0.0003420900000000, -0.0001904000000000, 0.0006791100000000 ] - [ -0.0006883000000000, -0.0000088900000000, 0.0000926900000000 ] - [ -0.0001316400000000, 0.0002804900000000, -0.0006835300000000 ] - [ 0.0002999300000000, 0.0000538800000000, 0.0004200000000000 ] - [ 0.0007590100000000, -0.0004252400000000, 0.0008536500000000 ] - [ -0.0026713900000000, 0.0002299300000000, 0.0012297400000000 ] - [ -0.0006239300000000, -0.0002468400000000, 0.0000320800000000 ] - [ 0.0003181800000000, 0.0001026600000000, 0.0004188400000000 ] - [ 0.0013184500000000, 0.0005584200000000, 0.0004677700000000 ] - [ -0.0006517400000000, -0.0000429000000000, 0.0006535300000000 ] - [ -0.0002547500000000, 0.0000489800000000, 0.0002255400000000 ] - [ 0.0005047800000000, -0.0000334600000000, 0.0000700700000000 ] - [ 0.0010890500000000, -0.0001297100000000, -0.0012587900000000 ] - [ -0.0033346300000000, -0.0009968300000000, 0.0008438200000000 ] - [ -0.0026692200000000, -0.0002329200000000, -0.0019200600000000 ] - [ 0.0002114600000000, -0.0001162000000000, 0.0021149500000000 ] - [ 0.0011259900000000, 0.0015464700000000, 0.0042608900000000 ] - [ -0.0667692500000000, 0.0268427100000000, -0.1061837600000000 ] - [ 0.0056493900000000, 0.0006240500000000, 0.0017140200000000 ] - [ -0.0016771600000000, -0.0001287100000000, 0.0020718900000000 ] - [ 0.0001107900000000, -0.0000678000000000, 0.0031991000000000 ] - [ -0.0115665900000000, 0.0013945600000000, -0.0114523900000000 ] - [ 0.0031140900000000, -0.0000843200000000, -0.0023921100000000 ] - [ -0.0008765000000000, -0.0003702900000000, 0.0012569300000000 ] - [ -0.0012268300000000, -0.0000950600000000, 0.0034998100000000 ] - [ 0.0134857700000000, -0.0118134400000000, 0.0035880700000000 ] - [ 0.0030834900000000, 0.0006890700000000, 0.0025824600000000 ] - [ -0.0019924800000000, -0.0007780400000000, 0.0007138200000000 ] - [ -0.0001992900000000, 0.0006209500000000, 0.0027262100000000 ] - [ 0.0182510000000000, 0.0058312600000000, 0.0135436900000000 ] - [ 0.0013038100000000, -0.0004430300000000, 0.0022309400000000 ] - [ -0.0011299700000000, 0.0000262600000000, 0.0001404800000000 ] - [ -0.0025901000000000, 0.0006668900000000, 0.0054447100000000 ] - [ 0.0064747500000000, 0.0017488700000000, -0.0009911200000000 ] - [ 0.0021233600000000, 0.0000387300000000, 0.0005220000000000 ] - [ -0.0013778700000000, -0.0002745400000000, 0.0001886300000000 ] - [ -0.0004311400000000, -0.0004675600000000, -0.0004039900000000 ] - [ 0.0005202400000000, 0.0000625700000000, 0.0004340900000000 ] - [ 0.0001012200000000, 0.0001351400000000, 0.0003790600000000 ] - [ -0.0003034700000000, -0.0000162500000000, -0.0005744400000000 ] - [ -0.0006733100000000, -0.0001017100000000, -0.0003107300000000 ] - [ 0.0011209000000000, 0.0001576300000000, 0.0002150500000000 ] - [ 0.0002008000000000, -0.0000671400000000, 0.0008969200000000 ] - [ -0.0004560300000000, -0.0001090700000000, -0.0007641900000000 ] - [ -0.0012627300000000, 0.0001924900000000, -0.0012390000000000 ] - [ 0.0022620900000000, 0.0000087200000000, -0.0007816300000000 ] - [ 0.0009874900000000, 0.0001352500000000, 0.0008534300000000 ] - [ -0.0015455700000000, 0.0001119800000000, -0.0004090400000000 ] - [ -0.0037074000000000, -0.0003263100000000, -0.0006172700000000 ] - [ 0.0028287700000000, -0.0012485600000000, -0.0041229600000000 ] - [ 0.0039330500000000, -0.0000536600000000, 0.0004065600000000 ] - [ -0.0026249400000000, -0.0002337900000000, -0.0032305100000000 ] - [ -0.0082747700000000, -0.0082775300000000, -0.0062436800000000 ] - [ 0.0007733600000000, 0.0002866900000000, -0.0064999300000000 ] - [ 0.0020442100000000, 0.0007742000000000, -0.0018653700000000 ] - [ -0.0078191000000000, 0.0002870400000000, -0.0020881700000000 ] - [ 0.0538554000000000, -0.0175855100000000, 0.0795084700000000 ] - [ -0.0001950300000000, -0.0000345100000000, 0.0003984300000000 ] - [ -0.0002323200000000, -0.0000080800000000, 0.0004090700000000 ] - [ 0.0000158300000000, 0.0000237100000000, 0.0003148300000000 ] - [ 0.0001303500000000, 0.0000044600000000, -0.0010281200000000 ] - [ 0.0015635000000000, 0.0001204700000000, 0.0037967800000000 ] - [ -0.0009049500000000, -0.0000757400000000, 0.0015485000000000 ] - [ 0.0003936300000000, 0.0001067300000000, -0.0014203600000000 ] - [ -0.0003577100000000, 0.0000404300000000, -0.0029865300000000 ] - [ -0.0023460300000000, 0.0000469800000000, 0.0126044100000000 ] - [ -0.0012188500000000, 0.0006737000000000, 0.0125892700000000 ] - [ 0.0000642500000000, 0.0000620000000000, -0.0034044700000000 ] - [ 0.0023685900000000, 0.0003528200000000, -0.0071184500000000 ]- atom: 33 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0002611500000000, -0.0001165000000000, 0.0003675600000000 ] - [ -0.0000710700000000, 0.0001016100000000, 0.0001585700000000 ] - [ -0.0003023600000000, 0.0001516500000000, -0.0004318500000000 ] - [ -0.0000163300000000, -0.0001152900000000, -0.0001375300000000 ] - [ -0.0001380700000000, 0.0000613500000000, 0.0002420400000000 ] - [ 0.0001018000000000, 0.0000789900000000, -0.0000013300000000 ] - [ 0.0001685300000000, -0.0000410400000000, -0.0004662800000000 ] - [ -0.0003320100000000, -0.0000481700000000, 0.0002394300000000 ] - [ 0.0007428700000000, -0.0001527600000000, -0.0000392600000000 ] - [ 0.0001825200000000, -0.0001653400000000, 0.0002805600000000 ] - [ -0.0003382000000000, 0.0001700700000000, -0.0001869800000000 ] - [ -0.0009637400000000, 0.0001811600000000, -0.0002221700000000 ] - [ 0.0008350600000000, 0.0000992800000000, 0.0002763900000000 ] - [ -0.0002646000000000, 0.0000441600000000, 0.0006357800000000 ] - [ 0.0000392900000000, -0.0001914200000000, -0.0002848800000000 ] - [ -0.0002599600000000, -0.0000671200000000, -0.0009808900000000 ] - [ 0.0005339100000000, 0.0002382700000000, 0.0001612300000000 ] - [ 0.0002841900000000, -0.0000476700000000, 0.0004130100000000 ] - [ -0.0001439700000000, -0.0002856000000000, -0.0006872300000000 ] - [ -0.0009107100000000, 0.0001896800000000, -0.0005776500000000 ] - [ 0.0021871200000000, -0.0005132300000000, -0.0015155500000000 ] - [ 0.0007635600000000, -0.0003426700000000, -0.0000059100000000 ] - [ -0.0004597400000000, 0.0004896400000000, -0.0004546800000000 ] - [ -0.0011698000000000, 0.0000381200000000, -0.0004242400000000 ] - [ 0.0004990800000000, 0.0001200400000000, -0.0009378800000000 ] - [ 0.0004022600000000, 0.0000286800000000, 0.0000578600000000 ] - [ -0.0003536500000000, -0.0000438000000000, 0.0002094700000000 ] - [ -0.0012303300000000, 0.0000528700000000, 0.0009801800000000 ] - [ 0.0035772900000000, 0.0009520000000000, -0.0011696100000000 ] - [ 0.0023665600000000, 0.0002051700000000, 0.0022330300000000 ] - [ -0.0004834500000000, 0.0001520200000000, -0.0018076200000000 ] - [ -0.0008455300000000, -0.0015159500000000, -0.0045353500000000 ] - [ 0.0685508600000000, -0.0267745100000000, 0.1048024700000000 ] - [ -0.0058253200000000, -0.0002713300000000, -0.0015605800000000 ] - [ 0.0014578400000000, -0.0002206400000000, -0.0018999500000000 ] - [ 0.0001107200000000, -0.0002814800000000, -0.0033479900000000 ] - [ 0.0110864500000000, -0.0011583400000000, 0.0118130800000000 ] - [ -0.0024692200000000, 0.0003449800000000, 0.0019420600000000 ] - [ 0.0015058200000000, 0.0001087100000000, -0.0016753300000000 ] - [ 0.0005858000000000, -0.0001684800000000, -0.0030576900000000 ] - [ -0.0134872700000000, 0.0123135800000000, -0.0034281200000000 ] - [ -0.0031087700000000, -0.0002617900000000, -0.0026142900000000 ] - [ 0.0019539400000000, 0.0003496100000000, -0.0007499600000000 ] - [ 0.0002403400000000, -0.0010475900000000, -0.0026734100000000 ] - [ -0.0183203500000000, -0.0056707900000000, -0.0140014100000000 ] - [ -0.0014385400000000, 0.0006625300000000, -0.0018971300000000 ] - [ 0.0009871200000000, -0.0002457100000000, 0.0002072900000000 ] - [ 0.0026951000000000, -0.0008673900000000, -0.0057300600000000 ] - [ -0.0069251400000000, -0.0014693500000000, 0.0007211300000000 ] - [ -0.0016513800000000, 0.0002496600000000, -0.0002377900000000 ] - [ 0.0018313500000000, -0.0000146000000000, 0.0001035100000000 ] - [ 0.0002848400000000, -0.0001255600000000, 0.0003662500000000 ] - [ -0.0004902900000000, 0.0000944100000000, -0.0002670100000000 ] - [ -0.0001375700000000, 0.0000215300000000, -0.0005435400000000 ] - [ 0.0002667100000000, -0.0001398700000000, 0.0004041900000000 ] - [ 0.0007026700000000, -0.0000555500000000, 0.0004716200000000 ] - [ -0.0009993300000000, -0.0000953500000000, -0.0002577100000000 ] - [ -0.0003241300000000, 0.0001268300000000, -0.0008298000000000 ] - [ 0.0003274800000000, 0.0000481000000000, 0.0008245700000000 ] - [ 0.0013833800000000, -0.0002519900000000, 0.0011610000000000 ] - [ -0.0017977500000000, 0.0000524600000000, 0.0001821800000000 ] - [ -0.0014275400000000, -0.0000732200000000, -0.0002431000000000 ] - [ 0.0010915800000000, -0.0001735200000000, 0.0010189800000000 ] - [ 0.0041372700000000, 0.0002616500000000, -0.0000127600000000 ] - [ -0.0029609300000000, 0.0012478700000000, 0.0039924300000000 ] - [ -0.0037714100000000, 0.0000731100000000, -0.0003156100000000 ] - [ 0.0027717300000000, 0.0002110300000000, 0.0033425200000000 ] - [ 0.0080693600000000, 0.0083009900000000, 0.0060581800000000 ] - [ -0.0003522200000000, -0.0003026600000000, 0.0063809200000000 ] - [ -0.0024599300000000, -0.0008013700000000, 0.0019234600000000 ] - [ 0.0073604900000000, -0.0002562200000000, 0.0021649500000000 ] - [ -0.0544752100000000, 0.0178565300000000, -0.0792224500000000 ] - [ 0.0002404000000000, 0.0000030200000000, -0.0011620400000000 ] - [ 0.0001759400000000, -0.0000234600000000, 0.0003517300000000 ] - [ -0.0000719700000000, 0.0000079500000000, 0.0004418100000000 ] - [ -0.0000755100000000, 0.0000270000000000, 0.0002666100000000 ] - [ -0.0015222100000000, -0.0003007100000000, -0.0034497000000000 ] - [ 0.0008394700000000, -0.0001024100000000, -0.0018525700000000 ] - [ -0.0004617300000000, 0.0000713900000000, 0.0010954700000000 ] - [ 0.0004311200000000, 0.0001372100000000, 0.0032878900000000 ] - [ 0.0024577100000000, -0.0000610700000000, -0.0115860000000000 ] - [ 0.0007735500000000, -0.0006805500000000, -0.0126013800000000 ] - [ -0.0005279200000000, -0.0000436500000000, 0.0033222900000000 ] - [ -0.0018990700000000, -0.0003391600000000, 0.0071825700000000 ]- atom: 37 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0015363400000000, -0.0003833100000000, 0.0002466600000000 ] - [ 0.0013172200000000, 0.0004056300000000, 0.0000136800000000 ] - [ 0.0005589000000000, -0.0003094400000000, 0.0002605400000000 ] - [ 0.0009040600000000, 0.0003705600000000, 0.0005403500000000 ] - [ 0.0016574700000000, 0.0002268200000000, -0.0002524700000000 ] - [ 0.0022828300000000, -0.0000739200000000, -0.0000895000000000 ] - [ 0.0012668500000000, 0.0000087800000000, -0.0002650700000000 ] - [ 0.0011770400000000, -0.0000940400000000, 0.0008204700000000 ] - [ 0.0042749600000000, -0.0002818200000000, -0.0015293100000000 ] - [ 0.0034402100000000, -0.0001535600000000, 0.0002797900000000 ] - [ 0.0022717300000000, 0.0001660800000000, 0.0002642500000000 ] - [ 0.0011811100000000, 0.0002453700000000, 0.0009308300000000 ] - [ 0.0077307800000000, -0.0006410900000000, -0.0034014500000000 ] - [ 0.0017219700000000, 0.0002959000000000, 0.0002738000000000 ] - [ 0.0011668200000000, -0.0002256600000000, 0.0003938900000000 ] - [ -0.0006114500000000, -0.0002952100000000, 0.0005790100000000 ] - [ 0.0011472100000000, -0.0006577400000000, -0.0042960800000000 ] - [ 0.0014488200000000, -0.0003484300000000, 0.0000048700000000 ] - [ 0.0009611500000000, 0.0002584300000000, 0.0001890500000000 ] - [ -0.0007952800000000, -0.0005160000000000, 0.0018929200000000 ] - [ -0.0030890700000000, 0.0002791700000000, -0.0018900200000000 ] - [ 0.0001324400000000, 0.0006690100000000, -0.0030634000000000 ] - [ 0.0008525400000000, -0.0000242000000000, 0.0004478900000000 ] - [ -0.0002915600000000, 0.0008716400000000, 0.0023197700000000 ] - [ 0.0001509400000000, 0.0002001600000000, -0.0021113900000000 ] - [ 0.0017950900000000, 0.0000393500000000, -0.0000049700000000 ] - [ 0.0016198400000000, -0.0000870600000000, 0.0003724300000000 ] - [ 0.0005966000000000, 0.0000546100000000, 0.0033630700000000 ] - [ -0.0057816000000000, -0.0005147800000000, -0.0048277900000000 ] - [ 0.0037225500000000, -0.0003154200000000, -0.0007843500000000 ] - [ 0.0002219400000000, -0.0000830700000000, 0.0009449800000000 ] - [ -0.0036913100000000, -0.0004914500000000, -0.0031211800000000 ] - [ 0.0307499200000000, -0.0024721700000000, -0.0069918600000000 ] - [ 0.0000645200000000, 0.0002890600000000, 0.0029398900000000 ] - [ -0.0002606100000000, -0.0001173600000000, -0.0011458300000000 ] - [ -0.0013942300000000, -0.0004046700000000, -0.0012263300000000 ] - [ -0.2534557700000000, -0.0165993400000000, 0.1428674100000000 ] - [ 0.0018737500000000, 0.0001129800000000, 0.0013145200000000 ] - [ 0.0012820000000000, -0.0000216200000000, -0.0011729800000000 ] - [ -0.0020133500000000, -0.0001954700000000, -0.0008707100000000 ] - [ -0.0033469000000000, 0.0079330200000000, -0.0115217900000000 ] - [ 0.0010510100000000, 0.0007395800000000, 0.0015051300000000 ] - [ 0.0006355700000000, 0.0002016000000000, -0.0014416900000000 ] - [ -0.0018771900000000, -0.0008906600000000, -0.0017221300000000 ] - [ -0.0054585200000000, -0.0030276300000000, -0.0086865800000000 ] - [ 0.0005061200000000, -0.0004405800000000, 0.0016632500000000 ] - [ 0.0010171000000000, -0.0002331200000000, -0.0017444000000000 ] - [ -0.0021383300000000, 0.0013794400000000, -0.0009862300000000 ] - [ -0.0089690800000000, -0.0010649400000000, 0.0050847200000000 ] - [ 0.0022214500000000, -0.0000476600000000, 0.0008191500000000 ] - [ 0.0032449100000000, 0.0001450400000000, -0.0004719900000000 ] - [ 0.0012605100000000, 0.0000386500000000, 0.0003065900000000 ] - [ -0.0040462400000000, 0.0003126800000000, -0.0000209600000000 ] - [ -0.0037297200000000, -0.0002431400000000, -0.0005555500000000 ] - [ -0.0021987200000000, 0.0000735700000000, -0.0006942400000000 ] - [ -0.0017152900000000, -0.0002992700000000, -0.0008399100000000 ] - [ -0.0042748800000000, 0.0005024300000000, 0.0075813700000000 ] - [ -0.0034782400000000, 0.0003203000000000, -0.0000660700000000 ] - [ -0.0023351200000000, -0.0002230900000000, -0.0003100900000000 ] - [ -0.0002663300000000, -0.0003450500000000, -0.0023248900000000 ] - [ 0.0016940800000000, -0.0003390800000000, 0.0053336800000000 ] - [ -0.0034896900000000, -0.0002825500000000, 0.0000283400000000 ] - [ -0.0025788500000000, 0.0002469600000000, -0.0004734300000000 ] - [ 0.0025391000000000, 0.0005381700000000, -0.0052351500000000 ] - [ 0.0038412900000000, -0.0010961300000000, 0.0038556200000000 ] - [ -0.0033953400000000, -0.0001471700000000, 0.0031787600000000 ] - [ -0.0017694000000000, 0.0001139400000000, -0.0016840800000000 ] - [ 0.0182576700000000, 0.0018292800000000, 0.0043023800000000 ] - [ 0.0026731800000000, 0.0005155500000000, 0.0015813100000000 ] - [ -0.0009686700000000, -0.0001636400000000, 0.0026426000000000 ] - [ -0.0019211300000000, -0.0001251300000000, -0.0026436300000000 ] - [ 0.2083828800000000, 0.0114268600000000, -0.1192532800000000 ] - [ -0.0039062300000000, 0.0000054600000000, -0.0029060900000000 ] - [ -0.0024469900000000, -0.0000171900000000, 0.0002085400000000 ] - [ -0.0024481500000000, 0.0000159200000000, -0.0001773400000000 ] - [ -0.0012224200000000, -0.0000004600000000, 0.0004727000000000 ] - [ 0.0059538800000000, 0.0029300000000000, 0.0013741400000000 ] - [ -0.0031365000000000, -0.0001315100000000, -0.0013171700000000 ] - [ -0.0017813200000000, 0.0001291500000000, -0.0000244300000000 ] - [ 0.0028832500000000, 0.0000905100000000, 0.0015806200000000 ] - [ 0.0130755000000000, 0.0003635800000000, -0.0038146100000000 ] - [ -0.0058451400000000, 0.0001693000000000, -0.0005753300000000 ] - [ 0.0007234600000000, -0.0000070200000000, 0.0001660300000000 ] - [ 0.0010600700000000, -0.0000826600000000, 0.0035907500000000 ]- atom: 37 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0012231800000000, 0.0003549500000000, 0.0000043200000000 ] - [ -0.0016336100000000, -0.0004344700000000, -0.0002635500000000 ] - [ -0.0008724600000000, 0.0003372900000000, -0.0005103000000000 ] - [ -0.0005881400000000, -0.0003417900000000, -0.0002900100000000 ] - [ -0.0020331200000000, -0.0001126800000000, 0.0007334300000000 ] - [ -0.0019105100000000, 0.0001883400000000, -0.0003898300000000 ] - [ -0.0008923300000000, -0.0001233000000000, -0.0002114600000000 ] - [ -0.0015498800000000, -0.0000207000000000, -0.0003445900000000 ] - [ -0.0042907600000000, -0.0000470900000000, 0.0014423300000000 ] - [ -0.0034339000000000, -0.0001767300000000, -0.0001855800000000 ] - [ -0.0022639400000000, 0.0001637500000000, -0.0001685400000000 ] - [ -0.0011808300000000, 0.0000842900000000, -0.0010270100000000 ] - [ -0.0076828600000000, 0.0008938700000000, 0.0031076900000000 ] - [ -0.0018062400000000, -0.0000380400000000, 0.0000310100000000 ] - [ -0.0012519000000000, -0.0000317700000000, -0.0000902200000000 ] - [ 0.0007006900000000, 0.0000374400000000, -0.0008804200000000 ] - [ -0.0012994700000000, 0.0008959200000000, 0.0045748200000000 ] - [ -0.0012951000000000, 0.0005805800000000, -0.0002727000000000 ] - [ -0.0008090300000000, -0.0004911600000000, -0.0004556100000000 ] - [ 0.0006516700000000, 0.0002810400000000, -0.0016233100000000 ] - [ 0.0026466400000000, -0.0005695900000000, 0.0016109000000000 ] - [ 0.0000141700000000, -0.0012667300000000, 0.0031124300000000 ] - [ -0.0009975700000000, 0.0006177800000000, -0.0004833000000000 ] - [ 0.0004468100000000, -0.0002756200000000, -0.0022851300000000 ] - [ -0.0002971900000000, -0.0001240000000000, 0.0018377700000000 ] - [ -0.0016458600000000, 0.0000377900000000, 0.0002852000000000 ] - [ -0.0014724500000000, 0.0000096100000000, -0.0000887700000000 ] - [ -0.0007366400000000, -0.0001308000000000, -0.0036566500000000 ] - [ 0.0060823000000000, 0.0004788700000000, 0.0044989900000000 ] - [ -0.0039836500000000, 0.0002800500000000, 0.0010811200000000 ] - [ -0.0005036800000000, 0.0001181400000000, -0.0006444200000000 ] - [ 0.0039743700000000, 0.0005350200000000, 0.0028370900000000 ] - [ -0.0298665500000000, 0.0027322500000000, 0.0066841300000000 ] - [ -0.0003051900000000, 0.0000583800000000, -0.0027649300000000 ] - [ 0.0000258400000000, -0.0002294600000000, 0.0013056500000000 ] - [ 0.0016114300000000, 0.0000562700000000, 0.0010658900000000 ] - [ 0.2443797400000000, 0.0161645500000000, -0.1346691600000000 ] - [ -0.0012494200000000, 0.0001495400000000, -0.0017308600000000 ] - [ -0.0006569300000000, -0.0002405700000000, 0.0007446300000000 ] - [ 0.0013849700000000, -0.0000672700000000, 0.0012990800000000 ] - [ 0.0033319300000000, -0.0074530100000000, 0.0115168400000000 ] - [ -0.0011109200000000, -0.0003071800000000, -0.0015476900000000 ] - [ -0.0006886200000000, -0.0006278100000000, 0.0013895900000000 ] - [ 0.0019242500000000, 0.0004607900000000, 0.0017594400000000 ] - [ 0.0054980600000000, 0.0032875600000000, 0.0084089000000000 ] - [ -0.0006528400000000, 0.0006633800000000, -0.0013284100000000 ] - [ -0.0011607900000000, 0.0000065900000000, 0.0020667200000000 ] - [ 0.0022840100000000, -0.0016016100000000, 0.0006485500000000 ] - [ 0.0085549300000000, 0.0013587800000000, -0.0053555500000000 ] - [ -0.0017682900000000, 0.0003371700000000, -0.0005364200000000 ] - [ -0.0027838700000000, -0.0004343500000000, 0.0007477700000000 ] - [ -0.0014046300000000, -0.0006322600000000, -0.0003434500000000 ] - [ 0.0040842600000000, -0.0001561000000000, 0.0001859000000000 ] - [ 0.0037000000000000, 0.0004004000000000, 0.0003905400000000 ] - [ 0.0021652600000000, -0.0002296900000000, 0.0005272200000000 ] - [ 0.0017420700000000, 0.0001428200000000, 0.0010079200000000 ] - [ 0.0044087700000000, -0.0004465800000000, -0.0076728500000000 ] - [ 0.0033544800000000, -0.0002604200000000, 0.0001337400000000 ] - [ 0.0022114100000000, 0.0001638700000000, 0.0003772900000000 ] - [ 0.0003798800000000, 0.0002884600000000, 0.0022567300000000 ] - [ -0.0012630300000000, 0.0004061500000000, -0.0059664400000000 ] - [ 0.0030446600000000, 0.0003453800000000, 0.0005872800000000 ] - [ 0.0021397700000000, -0.0003104000000000, 0.0010852100000000 ] - [ -0.0021430900000000, -0.0006095400000000, 0.0046302200000000 ] - [ -0.0040227200000000, 0.0011106800000000, -0.0039665300000000 ] - [ 0.0035571600000000, 0.0001660000000000, -0.0030316900000000 ] - [ 0.0019443900000000, -0.0001313900000000, 0.0018122000000000 ] - [ -0.0184494100000000, -0.0018874400000000, -0.0044797200000000 ] - [ -0.0022609500000000, -0.0005383700000000, -0.0016536800000000 ] - [ 0.0005688100000000, 0.0001392400000000, -0.0025521500000000 ] - [ 0.0015232300000000, 0.0001467900000000, 0.0027097300000000 ] - [ -0.1998972100000000, -0.0105571600000000, 0.1113234700000000 ] - [ 0.0039666400000000, -0.0000368500000000, 0.0021584600000000 ] - [ 0.0023937200000000, -0.0000142100000000, 0.0005486600000000 ] - [ 0.0023944900000000, 0.0000153000000000, 0.0009394200000000 ] - [ 0.0012740300000000, 0.0000317400000000, -0.0012372700000000 ] - [ -0.0061398400000000, -0.0032003900000000, -0.0009813000000000 ] - [ 0.0030700900000000, -0.0000458600000000, 0.0009947100000000 ] - [ 0.0017193600000000, 0.0000480700000000, -0.0002885700000000 ] - [ -0.0028291800000000, 0.0000862600000000, -0.0012739100000000 ] - [ -0.0124829600000000, -0.0003991000000000, 0.0040443400000000 ] - [ 0.0053913900000000, -0.0001866900000000, 0.0005101700000000 ] - [ -0.0011710400000000, 0.0000255300000000, -0.0002316400000000 ] - [ -0.0005839100000000, 0.0001014800000000, -0.0035338900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001959900000000, -0.0000259800000000, 0.0001407100000000 ] - [ -0.0001222000000000, -0.0000009400000000, -0.0001000400000000 ] - [ -0.0001656900000000, 0.0000227700000000, -0.0001452800000000 ] - [ 0.0001445900000000, 0.0000087800000000, 0.0001127400000000 ] - [ -0.0001447200000000, 0.0000620500000000, 0.0002144700000000 ] - [ 0.0002163100000000, 0.0000587700000000, -0.0002071100000000 ] - [ 0.0001995600000000, -0.0000544700000000, -0.0002666700000000 ] - [ -0.0001952300000000, -0.0000546600000000, 0.0002639100000000 ] - [ 0.0001476600000000, -0.0001660000000000, -0.0000333400000000 ] - [ 0.0000624100000000, -0.0001628000000000, 0.0000655200000000 ] - [ 0.0000159000000000, 0.0001658400000000, 0.0000346100000000 ] - [ -0.0001275600000000, 0.0001799000000000, -0.0000301000000000 ] - [ -0.0002130200000000, 0.0014200400000000, -0.0000567100000000 ] - [ -0.0000246700000000, 0.0001275800000000, 0.0001644400000000 ] - [ -0.0000200800000000, -0.0001321700000000, 0.0001438200000000 ] - [ -0.0000218100000000, -0.0001241400000000, -0.0002301400000000 ] - [ 0.0002783100000000, 0.0001742000000000, -0.0004984900000000 ] - [ 0.0000938000000000, 0.0001058000000000, -0.0001105200000000 ] - [ 0.0000824800000000, -0.0001181900000000, -0.0001546100000000 ] - [ -0.0003562600000000, -0.0000710900000000, -0.0000365100000000 ] - [ -0.0003592600000000, -0.0002056400000000, -0.0002660000000000 ] - [ 0.0000908400000000, -0.0002632800000000, -0.0001288300000000 ] - [ -0.0000701300000000, 0.0003016300000000, -0.0000304400000000 ] - [ -0.0000250600000000, 0.0002544800000000, 0.0000204200000000 ] - [ -0.0000568500000000, 0.0000326200000000, -0.0003791200000000 ] - [ 0.0001002700000000, 0.0000389800000000, 0.0001490400000000 ] - [ 0.0000842100000000, -0.0000379500000000, 0.0001347600000000 ] - [ -0.0003082600000000, 0.0000653900000000, 0.0003191300000000 ] - [ -0.0001931400000000, 0.0020471900000000, 0.0001027300000000 ] - [ -0.0002687600000000, -0.0001008100000000, 0.0002620000000000 ] - [ -0.0001387700000000, 0.0000174100000000, 0.0000813800000000 ] - [ -0.0005633000000000, 0.0009613700000000, -0.0017452500000000 ] - [ -0.0052201500000000, -0.0094757500000000, 0.0004275600000000 ] - [ -0.0000563500000000, 0.0000801900000000, 0.0003008200000000 ] - [ 0.0000929100000000, -0.0001725400000000, -0.0001255500000000 ] - [ 0.0001201400000000, -0.0001420000000000, -0.0001136400000000 ] - [ -0.0159266400000000, -0.0409908000000000, 0.0136375900000000 ] - [ 0.0003282800000000, 0.0001806000000000, -0.0000576600000000 ] - [ 0.0004198500000000, -0.0001314000000000, -0.0002605400000000 ] - [ -0.0002448900000000, -0.0001129000000000, 0.0000539700000000 ] - [ 0.0106775500000000, 0.0103740300000000, -0.0153927000000000 ] - [ -0.0002202000000000, 0.0003296000000000, -0.0000965900000000 ] - [ 0.0001032100000000, -0.0002671500000000, 0.0000167200000000 ] - [ 0.0000563700000000, -0.0002540700000000, 0.0000308400000000 ] - [ -0.0048969700000000, -0.0003541900000000, 0.0090621100000000 ] - [ -0.0000788600000000, 0.0001041900000000, 0.0001508100000000 ] - [ 0.0000280200000000, -0.0000441600000000, 0.0002117300000000 ] - [ 0.0001621400000000, -0.0000424800000000, -0.0004291800000000 ] - [ -0.0015551300000000, 0.0033843700000000, -0.0009740800000000 ] - [ 0.0001948200000000, 0.0001385200000000, 0.0001286500000000 ] - [ 0.0003090100000000, -0.0001238500000000, 0.0001936900000000 ] - [ -0.0000477400000000, -0.0002853400000000, 0.0000071000000000 ] - [ -0.0001135700000000, 0.0000817800000000, 0.0000677000000000 ] - [ -0.0000870400000000, 0.0000670100000000, -0.0001271000000000 ] - [ -0.0000241500000000, -0.0000840300000000, -0.0000482900000000 ] - [ 0.0000929300000000, -0.0000804300000000, 0.0000932800000000 ] - [ -0.0002400900000000, -0.0001229500000000, -0.0000185400000000 ] - [ -0.0001156200000000, 0.0000329300000000, 0.0000054300000000 ] - [ -0.0000758400000000, -0.0000292400000000, 0.0000587200000000 ] - [ 0.0002257900000000, -0.0001352100000000, 0.0000062300000000 ] - [ 0.0003211200000000, 0.0001438200000000, 0.0002073900000000 ] - [ -0.0002830300000000, 0.0000232300000000, 0.0002609300000000 ] - [ -0.0002209200000000, -0.0000360000000000, 0.0003328400000000 ] - [ 0.0014569800000000, 0.0000719500000000, 0.0000275900000000 ] - [ -0.0000221400000000, 0.0004394300000000, -0.0002361800000000 ] - [ -0.0000245700000000, -0.0000649400000000, -0.0001842400000000 ] - [ 0.0001682000000000, 0.0000553200000000, 0.0001929100000000 ] - [ 0.0047893600000000, -0.0098209200000000, 0.0032002600000000 ] - [ 0.0001115200000000, -0.0000952500000000, 0.0002239400000000 ] - [ -0.0004828800000000, 0.0000030800000000, 0.0000774200000000 ] - [ -0.0000902800000000, -0.0001119000000000, -0.0000115000000000 ] - [ 0.0100354000000000, 0.0385215100000000, -0.0075534100000000 ] - [ -0.0000475300000000, 0.0000032200000000, -0.0005362800000000 ] - [ -0.0000604700000000, -0.0000161700000000, 0.0003944800000000 ] - [ -0.0000526300000000, 0.0000155400000000, 0.0003548100000000 ] - [ 0.0000066700000000, 0.0000162800000000, -0.0002683000000000 ] - [ 0.0033938000000000, 0.0001998100000000, -0.0004299700000000 ] - [ -0.0000294100000000, -0.0000840200000000, -0.0001728700000000 ] - [ -0.0000864800000000, 0.0000876000000000, -0.0001250900000000 ] - [ 0.0001806000000000, 0.0001092300000000, 0.0004975400000000 ] - [ -0.0000299600000000, 0.0039381000000000, -0.0004477400000000 ] - [ -0.0012150000000000, -0.0002753000000000, -0.0008444700000000 ] - [ -0.0002590000000000, 0.0000099300000000, 0.0001151900000000 ] - [ 0.0001953000000000, 0.0004150000000000, 0.0003251300000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001104200000000, -0.0000003400000000, 0.0001078400000000 ] - [ -0.0002015100000000, -0.0000303200000000, -0.0001516900000000 ] - [ -0.0001528600000000, 0.0000069000000000, -0.0001058200000000 ] - [ 0.0001669000000000, 0.0000183500000000, 0.0001353700000000 ] - [ -0.0002402600000000, 0.0000513400000000, 0.0002671900000000 ] - [ 0.0001454700000000, 0.0000560900000000, -0.0002735500000000 ] - [ 0.0001679100000000, -0.0000601300000000, -0.0002110600000000 ] - [ -0.0001854900000000, -0.0000596400000000, 0.0002108100000000 ] - [ -0.0001823900000000, -0.0001649400000000, -0.0000556500000000 ] - [ -0.0000744100000000, -0.0001670300000000, 0.0000276700000000 ] - [ -0.0000200100000000, 0.0001636200000000, 0.0000600000000000 ] - [ 0.0001170900000000, 0.0001504300000000, -0.0000698000000000 ] - [ 0.0002618000000000, -0.0011469300000000, -0.0002422100000000 ] - [ -0.0000702800000000, 0.0001285300000000, 0.0001402100000000 ] - [ -0.0000714100000000, -0.0001239400000000, 0.0001611700000000 ] - [ 0.0001106600000000, -0.0001315900000000, -0.0000752900000000 ] - [ -0.0004478000000000, 0.0000571500000000, 0.0008068600000000 ] - [ 0.0000515600000000, 0.0001290200000000, -0.0001593000000000 ] - [ 0.0000658400000000, -0.0001162700000000, -0.0001151400000000 ] - [ 0.0002072700000000, -0.0001589700000000, 0.0002946300000000 ] - [ -0.0000854400000000, -0.0000861100000000, -0.0000016400000000 ] - [ 0.0000527600000000, -0.0003348800000000, 0.0001826800000000 ] - [ -0.0000797200000000, 0.0002930100000000, -0.0000081000000000 ] - [ 0.0001790000000000, 0.0003327600000000, 0.0000117300000000 ] - [ -0.0000955100000000, 0.0000442100000000, 0.0001135600000000 ] - [ 0.0000383300000000, 0.0000381400000000, 0.0001331100000000 ] - [ 0.0000551000000000, -0.0000389700000000, 0.0001456500000000 ] - [ 0.0001571700000000, -0.0001464900000000, -0.0006309900000000 ] - [ 0.0005040700000000, -0.0020825700000000, -0.0003387500000000 ] - [ -0.0000337200000000, 0.0000668600000000, 0.0000432500000000 ] - [ -0.0001418900000000, 0.0000184200000000, 0.0002145300000000 ] - [ 0.0008600800000000, -0.0009109800000000, 0.0014595000000000 ] - [ 0.0052854300000000, 0.0098627600000000, -0.0005516200000000 ] - [ -0.0001569400000000, 0.0002694300000000, -0.0001488200000000 ] - [ -0.0003140700000000, -0.0001759600000000, 0.0002966600000000 ] - [ 0.0001093600000000, -0.0002048700000000, -0.0000409200000000 ] - [ 0.0168271300000000, 0.0415204600000000, -0.0140498100000000 ] - [ 0.0002925800000000, 0.0000822800000000, -0.0003759100000000 ] - [ 0.0002016100000000, -0.0001317300000000, -0.0001578500000000 ] - [ -0.0003740000000000, -0.0001486200000000, 0.0003803600000000 ] - [ -0.0104894800000000, -0.0099294600000000, 0.0152961200000000 ] - [ 0.0001625000000000, 0.0000984500000000, 0.0000460800000000 ] - [ -0.0001551000000000, -0.0001644300000000, -0.0000493200000000 ] - [ 0.0000035500000000, -0.0001689600000000, 0.0000263800000000 ] - [ 0.0050165700000000, 0.0006803200000000, -0.0093317100000000 ] - [ -0.0000675600000000, 0.0001194200000000, 0.0001730900000000 ] - [ -0.0001781300000000, -0.0001757200000000, 0.0001298600000000 ] - [ -0.0000038500000000, -0.0001925200000000, 0.0001052100000000 ] - [ 0.0011331100000000, -0.0030913900000000, 0.0006327500000000 ] - [ 0.0002515300000000, 0.0001512900000000, 0.0001519300000000 ] - [ 0.0001314300000000, -0.0001667100000000, 0.0000942800000000 ] - [ -0.0001050000000000, -0.0003099000000000, -0.0000456000000000 ] - [ 0.0001724400000000, 0.0000737900000000, 0.0000989100000000 ] - [ 0.0000755700000000, 0.0000916100000000, -0.0000343100000000 ] - [ 0.0000027300000000, -0.0000733600000000, -0.0001158000000000 ] - [ -0.0000525000000000, -0.0000752000000000, 0.0000763000000000 ] - [ 0.0003941900000000, 0.0001935700000000, -0.0000843000000000 ] - [ 0.0000119800000000, 0.0000253700000000, 0.0000614800000000 ] - [ -0.0000356500000000, -0.0000298300000000, 0.0000076700000000 ] - [ -0.0001056700000000, 0.0000715900000000, -0.0000682800000000 ] - [ 0.0001178000000000, -0.0000850000000000, -0.0008635300000000 ] - [ -0.0001421400000000, 0.0000409200000000, 0.0003541400000000 ] - [ -0.0002096600000000, -0.0000284500000000, 0.0002840300000000 ] - [ -0.0010346800000000, -0.0001226000000000, -0.0006158300000000 ] - [ -0.0001692800000000, -0.0004078000000000, 0.0000745900000000 ] - [ 0.0002127500000000, 0.0000842600000000, 0.0002916000000000 ] - [ 0.0000101700000000, -0.0000731300000000, -0.0000561700000000 ] - [ -0.0050488600000000, 0.0097278800000000, -0.0033100700000000 ] - [ 0.0002861700000000, 0.0000665200000000, -0.0003114300000000 ] - [ 0.0000757400000000, -0.0000251500000000, -0.0000189100000000 ] - [ -0.0003157700000000, 0.0001321300000000, 0.0000966200000000 ] - [ -0.0106996500000000, -0.0387387700000000, 0.0082290900000000 ] - [ 0.0001188900000000, -0.0000348100000000, -0.0002063400000000 ] - [ 0.0000207300000000, -0.0000153900000000, 0.0003659400000000 ] - [ 0.0000121700000000, 0.0000159100000000, 0.0004084100000000 ] - [ 0.0000557000000000, 0.0000151500000000, -0.0004991400000000 ] - [ -0.0036461300000000, -0.0005188400000000, 0.0008261300000000 ] - [ -0.0000171400000000, -0.0000936000000000, -0.0001364300000000 ] - [ 0.0000319900000000, 0.0000899600000000, -0.0001926600000000 ] - [ -0.0001322700000000, 0.0000689400000000, -0.0001962000000000 ] - [ 0.0004358700000000, -0.0039651800000000, 0.0005602800000000 ] - [ 0.0007759500000000, 0.0002551300000000, 0.0007848800000000 ] - [ -0.0002035200000000, 0.0000081600000000, -0.0001835100000000 ] - [ 0.0002627300000000, -0.0003926600000000, -0.0002851200000000 ]- atom: 37 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ -0.0002821700000000, 0.0001972500000000, -0.0002184100000000 ] - [ -0.0005472000000000, -0.0002647200000000, -0.0005963700000000 ] - [ -0.0000238500000000, -0.0001552800000000, 0.0002970600000000 ] - [ 0.0003811000000000, 0.0001649200000000, 0.0004252900000000 ] - [ -0.0007207000000000, 0.0000015500000000, 0.0004348200000000 ] - [ 0.0000844000000000, 0.0000318000000000, -0.0007208000000000 ] - [ -0.0000057800000000, -0.0000989500000000, 0.0001591100000000 ] - [ -0.0000028900000000, -0.0000856000000000, 0.0000310900000000 ] - [ -0.0022406800000000, -0.0001566400000000, 0.0004086300000000 ] - [ -0.0006187000000000, -0.0001867300000000, -0.0002301600000000 ] - [ 0.0000320300000000, 0.0001478700000000, 0.0002765900000000 ] - [ 0.0017492800000000, 0.0001610500000000, 0.0001441900000000 ] - [ -0.0038687700000000, 0.0003475600000000, -0.0005230700000000 ] - [ -0.0001895700000000, 0.0001517900000000, -0.0001431900000000 ] - [ -0.0002153500000000, -0.0000747400000000, 0.0004078300000000 ] - [ 0.0005747500000000, -0.0001904200000000, 0.0013714400000000 ] - [ -0.0012436400000000, 0.0002468900000000, 0.0013615200000000 ] - [ -0.0002128000000000, 0.0002780000000000, -0.0004983600000000 ] - [ 0.0001221000000000, -0.0000389600000000, 0.0002150500000000 ] - [ 0.0014771200000000, -0.0006667900000000, 0.0013979900000000 ] - [ -0.0022349000000000, -0.0001009700000000, 0.0025095600000000 ] - [ -0.0010125100000000, -0.0006202900000000, 0.0010976000000000 ] - [ 0.0000595800000000, 0.0001937200000000, 0.0002371700000000 ] - [ 0.0025569800000000, 0.0007262500000000, 0.0013083200000000 ] - [ -0.0009232300000000, -0.0001403200000000, 0.0016230100000000 ] - [ -0.0002696300000000, 0.0000420500000000, 0.0001482200000000 ] - [ 0.0001005700000000, -0.0000362800000000, 0.0001161300000000 ] - [ 0.0021101600000000, -0.0002874900000000, -0.0029468300000000 ] - [ -0.0007188200000000, -0.0000686300000000, 0.0059561700000000 ] - [ -0.0013509900000000, 0.0000412600000000, -0.0004298900000000 ] - [ 0.0000298200000000, -0.0000248100000000, 0.0013193400000000 ] - [ 0.0016385400000000, 0.0021741800000000, 0.0062329500000000 ] - [ -0.0058651500000000, -0.0000046000000000, -0.0108368900000000 ] - [ 0.0039079500000000, 0.0003207200000000, -0.0019096300000000 ] - [ -0.0021903100000000, -0.0000733800000000, 0.0014153400000000 ] - [ 0.0003309800000000, 0.0000495300000000, 0.0033698700000000 ] - [ 0.1702744400000000, 0.0159694600000000, -0.1764190600000000 ] - [ 0.0015860000000000, -0.0000241800000000, -0.0018810200000000 ] - [ -0.0007791400000000, -0.0001985300000000, 0.0007214700000000 ] - [ -0.0011328700000000, 0.0000399300000000, 0.0037632800000000 ] - [ -0.0100843300000000, -0.0075679600000000, 0.0055500000000000 ] - [ 0.0030669800000000, -0.0001180200000000, 0.0013788800000000 ] - [ -0.0012434600000000, -0.0002541200000000, -0.0001312100000000 ] - [ 0.0005172600000000, 0.0009347000000000, 0.0038453400000000 ] - [ -0.0126013300000000, 0.0099665800000000, 0.0202457200000000 ] - [ 0.0005522100000000, -0.0000974800000000, 0.0009969100000000 ] - [ -0.0008193800000000, -0.0002334000000000, 0.0001599900000000 ] - [ -0.0001402300000000, -0.0013236900000000, 0.0046373100000000 ] - [ 0.0079274800000000, 0.0005076100000000, 0.0004659700000000 ] - [ 0.0012546700000000, 0.0001644400000000, 0.0003437500000000 ] - [ -0.0010389300000000, -0.0002534400000000, 0.0001685000000000 ] - [ -0.0004442600000000, -0.0004543400000000, -0.0003295500000000 ] - [ 0.0018063500000000, 0.0000271000000000, 0.0005566400000000 ] - [ 0.0006373300000000, 0.0002515100000000, 0.0007201500000000 ] - [ -0.0000155200000000, 0.0000118200000000, -0.0007331800000000 ] - [ -0.0011234600000000, -0.0000609800000000, -0.0003199800000000 ] - [ 0.0032445200000000, 0.0000441900000000, -0.0020432100000000 ] - [ 0.0006025200000000, -0.0000580000000000, 0.0005724000000000 ] - [ -0.0001086700000000, -0.0000668500000000, -0.0004667700000000 ] - [ -0.0022848400000000, 0.0000758200000000, -0.0023455400000000 ] - [ 0.0024635300000000, 0.0002584200000000, -0.0029877000000000 ] - [ 0.0008124300000000, 0.0001385200000000, 0.0007712500000000 ] - [ -0.0007262800000000, 0.0000560100000000, -0.0001283800000000 ] - [ -0.0082735200000000, 0.0000826000000000, -0.0011225600000000 ] - [ 0.0015280700000000, 0.0002745500000000, -0.0084757000000000 ] - [ 0.0018965600000000, 0.0000778600000000, 0.0003793300000000 ] - [ -0.0015027600000000, -0.0005334100000000, -0.0019849800000000 ] - [ -0.0095554400000000, -0.0083939500000000, -0.0091005400000000 ] - [ 0.0004765400000000, -0.0003648800000000, -0.0066509100000000 ] - [ 0.0020874400000000, 0.0000904100000000, -0.0005592300000000 ] - [ -0.0038413200000000, 0.0007285800000000, 0.0002499800000000 ] - [ -0.1382414100000000, -0.0107690300000000, 0.1443642100000000 ] - [ -0.0000519300000000, -0.0000547700000000, 0.0017410800000000 ] - [ 0.0002871200000000, -0.0000079000000000, 0.0002921100000000 ] - [ 0.0001563500000000, 0.0000233500000000, 0.0005431500000000 ] - [ 0.0004350400000000, 0.0000024300000000, -0.0017435800000000 ] - [ 0.0002857100000000, -0.0012830000000000, 0.0121987000000000 ] - [ 0.0000496900000000, -0.0000731300000000, 0.0009150800000000 ] - [ 0.0004408600000000, 0.0001022600000000, -0.0009178300000000 ] - [ -0.0007574500000000, 0.0000549500000000, -0.0043761900000000 ] - [ -0.0047161400000000, -0.0000446200000000, 0.0079803400000000 ] - [ 0.0027868000000000, 0.0000281100000000, 0.0046306400000000 ] - [ -0.0002180000000000, 0.0000706300000000, -0.0026325700000000 ] - [ 0.0041070500000000, 0.0002530600000000, -0.0060531600000000 ]- atom: 37 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0005980400000000, -0.0002260500000000, 0.0004675200000000 ] - [ 0.0002325400000000, 0.0002357500000000, 0.0003472100000000 ] - [ -0.0002916400000000, 0.0001837100000000, -0.0005442900000000 ] - [ -0.0000657700000000, -0.0001354700000000, -0.0001742200000000 ] - [ 0.0003486700000000, 0.0001134200000000, 0.0000421900000000 ] - [ 0.0002906000000000, 0.0000824400000000, 0.0002434700000000 ] - [ 0.0003786000000000, -0.0000154200000000, -0.0006362800000000 ] - [ -0.0003700000000000, -0.0000290000000000, 0.0004489400000000 ] - [ 0.0022354500000000, -0.0001722000000000, -0.0005074800000000 ] - [ 0.0006270200000000, -0.0001424200000000, 0.0003267800000000 ] - [ -0.0000225000000000, 0.0001812100000000, -0.0001793000000000 ] - [ -0.0017597600000000, 0.0001681400000000, -0.0002370000000000 ] - [ 0.0039615900000000, -0.0000999400000000, 0.0002005000000000 ] - [ 0.0001039900000000, 0.0001043800000000, 0.0004504800000000 ] - [ 0.0001312600000000, -0.0001808700000000, -0.0000973400000000 ] - [ -0.0004941500000000, -0.0000664200000000, -0.0016765100000000 ] - [ 0.0010922500000000, -0.0000164000000000, -0.0011085300000000 ] - [ 0.0003652000000000, -0.0000458200000000, 0.0002297900000000 ] - [ 0.0000323700000000, -0.0001928600000000, -0.0004827300000000 ] - [ -0.0016334900000000, 0.0004330400000000, -0.0011220300000000 ] - [ 0.0017621600000000, -0.0001858600000000, -0.0027972200000000 ] - [ 0.0011523000000000, 0.0000295600000000, -0.0010683800000000 ] - [ -0.0002030200000000, 0.0003992800000000, -0.0002717600000000 ] - [ -0.0024153500000000, -0.0001306300000000, -0.0012645100000000 ] - [ 0.0007717600000000, 0.0002173800000000, -0.0019082200000000 ] - [ 0.0004165300000000, 0.0000356600000000, 0.0001365400000000 ] - [ 0.0000481000000000, -0.0000411900000000, 0.0001656200000000 ] - [ -0.0022567400000000, 0.0002110400000000, 0.0026775600000000 ] - [ 0.0009851300000000, 0.0000347800000000, -0.0062492700000000 ] - [ 0.0010561600000000, -0.0000751600000000, 0.0007378300000000 ] - [ -0.0003037300000000, 0.0000606500000000, -0.0010143900000000 ] - [ -0.0013715400000000, -0.0021579800000000, -0.0065464800000000 ] - [ 0.0059040000000000, 0.0003689700000000, 0.0107666500000000 ] - [ -0.0041162200000000, 0.0000272200000000, 0.0020524100000000 ] - [ 0.0019818500000000, -0.0002766700000000, -0.0012437900000000 ] - [ -0.0001088500000000, -0.0003993200000000, -0.0035325300000000 ] - [ -0.1792303900000000, -0.0163512600000000, 0.1810118900000000 ] - [ -0.0009509300000000, 0.0002851100000000, 0.0014431000000000 ] - [ 0.0014126600000000, -0.0000641000000000, -0.0011418500000000 ] - [ 0.0004977900000000, -0.0003022500000000, -0.0033340100000000 ] - [ 0.0102642500000000, 0.0080893000000000, -0.0054814400000000 ] - [ -0.0030932100000000, 0.0005406500000000, -0.0014149800000000 ] - [ 0.0012005400000000, -0.0001775400000000, 0.0001030100000000 ] - [ -0.0004721100000000, -0.0013637700000000, -0.0037991100000000 ] - [ 0.0129905600000000, -0.0099251800000000, -0.0209453100000000 ] - [ -0.0006931900000000, 0.0003171100000000, -0.0006691000000000 ] - [ 0.0006755800000000, 0.0000171400000000, 0.0001826400000000 ] - [ 0.0002806600000000, 0.0011038500000000, -0.0049595100000000 ] - [ -0.0084115900000000, -0.0002195000000000, -0.0007304000000000 ] - [ -0.0007889400000000, 0.0001242600000000, -0.0000558200000000 ] - [ 0.0014940500000000, -0.0000349600000000, 0.0001256000000000 ] - [ 0.0002982100000000, -0.0001387800000000, 0.0002947400000000 ] - [ -0.0017754800000000, 0.0001301000000000, -0.0003891200000000 ] - [ -0.0006728200000000, -0.0000944800000000, -0.0008827700000000 ] - [ -0.0000192200000000, -0.0001689400000000, 0.0005676500000000 ] - [ 0.0011576500000000, -0.0000963800000000, 0.0004839600000000 ] - [ -0.0031191300000000, 0.0000158300000000, 0.0020015900000000 ] - [ -0.0007247300000000, 0.0001181400000000, -0.0005063400000000 ] - [ -0.0000163900000000, 0.0000058200000000, 0.0005299400000000 ] - [ 0.0024123900000000, -0.0001363000000000, 0.0022760300000000 ] - [ -0.0020046400000000, -0.0001947800000000, 0.0023896500000000 ] - [ -0.0012555100000000, -0.0000766100000000, -0.0001590200000000 ] - [ 0.0002758600000000, -0.0001178500000000, 0.0007423700000000 ] - [ 0.0087271200000000, -0.0001459900000000, 0.0004925400000000 ] - [ -0.0016811800000000, -0.0002609400000000, 0.0083398800000000 ] - [ -0.0017246100000000, -0.0000600500000000, -0.0002746900000000 ] - [ 0.0016592100000000, 0.0005106500000000, 0.0021067700000000 ] - [ 0.0094444100000000, 0.0084586600000000, 0.0089493700000000 ] - [ -0.0000604700000000, 0.0003431600000000, 0.0065687500000000 ] - [ -0.0025114100000000, -0.0001123500000000, 0.0006183200000000 ] - [ 0.0034146800000000, -0.0006966900000000, -0.0001606500000000 ] - [ 0.1465986200000000, 0.0114828000000000, -0.1487716100000000 ] - [ 0.0000984900000000, 0.0000231900000000, -0.0025048800000000 ] - [ -0.0003415100000000, -0.0000237900000000, 0.0004709300000000 ] - [ -0.0002107300000000, 0.0000084000000000, 0.0002162000000000 ] - [ -0.0003792400000000, 0.0000291200000000, 0.0009860200000000 ] - [ -0.0002757700000000, 0.0011115100000000, -0.0118544500000000 ] - [ -0.0001126900000000, -0.0001052900000000, -0.0012229000000000 ] - [ -0.0005087600000000, 0.0000760800000000, 0.0005982500000000 ] - [ 0.0008333700000000, 0.0001234400000000, 0.0046956700000000 ] - [ 0.0053764700000000, -0.0000029400000000, -0.0075668300000000 ] - [ -0.0032253000000000, -0.0000472200000000, -0.0046928700000000 ] - [ -0.0002468100000000, -0.0000526600000000, 0.0025635900000000 ] - [ -0.0036686400000000, -0.0002406900000000, 0.0061280200000000 ]- atom: 41 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0009386000000000, -0.0001908200000000, 0.0000607900000000 ] - [ 0.0007260000000000, 0.0001542200000000, -0.0002995300000000 ] - [ 0.0006399600000000, -0.0003920100000000, 0.0004728900000000 ] - [ 0.0010662400000000, 0.0004163700000000, 0.0006290800000000 ] - [ 0.0008656900000000, 0.0001291400000000, 0.0001675200000000 ] - [ 0.0018889900000000, -0.0000657600000000, -0.0005689400000000 ] - [ 0.0010764700000000, -0.0000263800000000, 0.0000726500000000 ] - [ 0.0012515300000000, -0.0001311200000000, 0.0003633900000000 ] - [ 0.0015012700000000, -0.0001887200000000, -0.0002768200000000 ] - [ 0.0025615100000000, -0.0001856400000000, 0.0000711400000000 ] - [ 0.0019606200000000, 0.0001449200000000, 0.0003611100000000 ] - [ 0.0028254700000000, 0.0000758400000000, 0.0007385000000000 ] - [ 0.0011842500000000, -0.0000968800000000, -0.0012843500000000 ] - [ 0.0013521000000000, 0.0002616200000000, 0.0002757200000000 ] - [ 0.0009337400000000, -0.0002073700000000, 0.0003004600000000 ] - [ 0.0001479400000000, -0.0004498300000000, 0.0015831200000000 ] - [ 0.0002576200000000, 0.0000492800000000, -0.0009736700000000 ] - [ 0.0011586200000000, -0.0002230400000000, -0.0000836200000000 ] - [ 0.0007519600000000, 0.0001921000000000, 0.0001570000000000 ] - [ 0.0018068600000000, -0.0013251800000000, 0.0040038700000000 ] - [ -0.0016592900000000, -0.0000120800000000, -0.0002015500000000 ] - [ 0.0000118900000000, -0.0001265900000000, -0.0006374400000000 ] - [ 0.0006242600000000, 0.0000217200000000, 0.0004199900000000 ] - [ 0.0018880100000000, 0.0018883100000000, 0.0022808100000000 ] - [ 0.0000006000000000, 0.0000317400000000, -0.0001259900000000 ] - [ 0.0015322300000000, 0.0000276900000000, -0.0001232000000000 ] - [ 0.0011667700000000, -0.0000805000000000, 0.0004766900000000 ] - [ 0.0042059100000000, 0.0004767700000000, -0.0009176500000000 ] - [ -0.0020301100000000, -0.0000956200000000, -0.0017599000000000 ] - [ 0.0024444000000000, -0.0006158900000000, -0.0005837100000000 ] - [ -0.0001133600000000, -0.0001015000000000, 0.0006305700000000 ] - [ -0.0064715200000000, -0.0007748700000000, 0.0035953400000000 ] - [ -0.0023743700000000, -0.0152481800000000, 0.0132221000000000 ] - [ -0.0016127900000000, 0.0000707400000000, 0.0029878400000000 ] - [ -0.0010932200000000, 0.0001336000000000, -0.0020707800000000 ] - [ -0.0014945300000000, -0.0003013300000000, -0.0005474300000000 ] - [ -0.0036376400000000, 0.0106920800000000, -0.0105587300000000 ] - [ 0.0013940800000000, 0.0003233600000000, 0.0030832000000000 ] - [ 0.0009737100000000, -0.0000020500000000, -0.0013490200000000 ] - [ -0.0022156600000000, -0.0001581800000000, 0.0004240600000000 ] - [ -0.1369858600000000, 0.0350244300000000, -0.0829085700000000 ] - [ -0.0003040200000000, 0.0008447500000000, 0.0009436800000000 ] - [ 0.0006634100000000, 0.0000451900000000, -0.0018236500000000 ] - [ -0.0012601600000000, -0.0003882600000000, -0.0005110400000000 ] - [ -0.0133697400000000, 0.0016457200000000, 0.0016926200000000 ] - [ -0.0000282200000000, -0.0003610800000000, 0.0014624200000000 ] - [ 0.0010827200000000, -0.0000222900000000, -0.0020176600000000 ] - [ -0.0010985400000000, 0.0004255400000000, -0.0002102200000000 ] - [ 0.0297985800000000, -0.0074039700000000, 0.0135856700000000 ] - [ 0.0013639900000000, 0.0000014300000000, 0.0007964700000000 ] - [ 0.0028213300000000, 0.0001546100000000, -0.0003846200000000 ] - [ 0.0010063200000000, -0.0000683400000000, 0.0001612800000000 ] - [ -0.0017247500000000, 0.0002408400000000, 0.0001610500000000 ] - [ -0.0026647100000000, -0.0000125400000000, 0.0000822500000000 ] - [ -0.0019714900000000, 0.0001344700000000, -0.0010480200000000 ] - [ -0.0027361600000000, -0.0002393400000000, -0.0008478300000000 ] - [ -0.0012349300000000, 0.0000486800000000, 0.0017608000000000 ] - [ -0.0026555700000000, 0.0002491200000000, 0.0000094100000000 ] - [ -0.0019624900000000, -0.0001692300000000, -0.0002615200000000 ] - [ -0.0024856400000000, 0.0010118500000000, -0.0033399100000000 ] - [ 0.0010481800000000, 0.0000259000000000, 0.0007613800000000 ] - [ -0.0029530900000000, -0.0001906400000000, 0.0002615500000000 ] - [ -0.0018434800000000, 0.0001690000000000, -0.0004681300000000 ] - [ -0.0101817200000000, -0.0044338900000000, -0.0060758000000000 ] - [ 0.0020286900000000, -0.0003949700000000, 0.0009110700000000 ] - [ -0.0029003500000000, -0.0003662100000000, 0.0024331100000000 ] - [ -0.0006736200000000, 0.0003241000000000, -0.0010886000000000 ] - [ 0.0824350300000000, -0.0436615400000000, 0.0611572200000000 ] - [ 0.0027143500000000, 0.0001952500000000, 0.0000471300000000 ] - [ -0.0008395800000000, -0.0003239700000000, 0.0036090700000000 ] - [ 0.0005909500000000, -0.0004601300000000, -0.0027657200000000 ] - [ 0.0467455000000000, 0.0223251500000000, -0.0030433000000000 ] - [ -0.0027115300000000, -0.0000502200000000, -0.0000619600000000 ] - [ -0.0017822600000000, -0.0000144200000000, -0.0000564800000000 ] - [ -0.0021080000000000, 0.0000177400000000, 0.0002253100000000 ] - [ -0.0010353600000000, 0.0000035900000000, -0.0009987200000000 ] - [ -0.0021019200000000, 0.0002097400000000, 0.0057600200000000 ] - [ -0.0025291000000000, -0.0000780000000000, -0.0013001700000000 ] - [ -0.0013664600000000, 0.0001222300000000, 0.0002004000000000 ] - [ 0.0013689900000000, -0.0000324300000000, -0.0018538300000000 ] - [ 0.0065120300000000, 0.0000061700000000, -0.0014273500000000 ] - [ 0.0010985700000000, 0.0003535500000000, -0.0014553000000000 ] - [ 0.0010005400000000, -0.0000077200000000, 0.0003241500000000 ] - [ 0.0047947500000000, 0.0010101700000000, 0.0035868300000000 ]- atom: 41 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0006224100000000, 0.0001621500000000, 0.0001926200000000 ] - [ -0.0010390900000000, -0.0001805300000000, 0.0000504100000000 ] - [ -0.0009535700000000, 0.0004195200000000, -0.0007264500000000 ] - [ -0.0007514800000000, -0.0003891700000000, -0.0003792400000000 ] - [ -0.0012379800000000, -0.0000154900000000, 0.0003129500000000 ] - [ -0.0015144500000000, 0.0001796500000000, 0.0000909400000000 ] - [ -0.0006988700000000, -0.0000873500000000, -0.0005532200000000 ] - [ -0.0016263800000000, 0.0000171000000000, 0.0001155000000000 ] - [ -0.0015011500000000, -0.0001415400000000, 0.0001836100000000 ] - [ -0.0025507500000000, -0.0001447400000000, 0.0000228400000000 ] - [ -0.0019508000000000, 0.0001853200000000, -0.0002675600000000 ] - [ -0.0028347300000000, 0.0002553700000000, -0.0008352000000000 ] - [ -0.0010912000000000, 0.0003544500000000, 0.0009840500000000 ] - [ -0.0014338300000000, -0.0000032000000000, 0.0000280400000000 ] - [ -0.0010172400000000, -0.0000507700000000, 0.0000020300000000 ] - [ -0.0000563400000000, 0.0001946800000000, -0.0018942600000000 ] - [ -0.0004075100000000, 0.0001844400000000, 0.0012403800000000 ] - [ -0.0010038400000000, 0.0004552000000000, -0.0001830400000000 ] - [ -0.0005990200000000, -0.0004248500000000, -0.0004225500000000 ] - [ -0.0019687500000000, 0.0010983500000000, -0.0037713100000000 ] - [ 0.0012035800000000, -0.0002779000000000, -0.0000778500000000 ] - [ 0.0001355200000000, -0.0004671700000000, 0.0006748800000000 ] - [ -0.0007686300000000, 0.0005709400000000, -0.0004561200000000 ] - [ -0.0017459700000000, -0.0013057100000000, -0.0022547900000000 ] - [ -0.0001458500000000, 0.0000444700000000, -0.0001531800000000 ] - [ -0.0013802700000000, 0.0000490100000000, 0.0004023200000000 ] - [ -0.0010155500000000, 0.0000035000000000, -0.0001952500000000 ] - [ -0.0043817600000000, -0.0005598500000000, 0.0006499800000000 ] - [ 0.0023088000000000, 0.0000600600000000, 0.0014509600000000 ] - [ -0.0027215100000000, 0.0005785300000000, 0.0008838100000000 ] - [ -0.0001676500000000, 0.0001367100000000, -0.0003299200000000 ] - [ 0.0068017500000000, 0.0007980500000000, -0.0038602000000000 ] - [ 0.0025551500000000, 0.0155127500000000, -0.0133139100000000 ] - [ 0.0013689000000000, 0.0002753500000000, -0.0028204500000000 ] - [ 0.0008590700000000, -0.0004781900000000, 0.0022207900000000 ] - [ 0.0017106600000000, -0.0000464900000000, 0.0003844100000000 ] - [ 0.0030355800000000, -0.0104692000000000, 0.0110450300000000 ] - [ -0.0007613500000000, -0.0000597900000000, -0.0034814300000000 ] - [ -0.0003447100000000, -0.0002598600000000, 0.0009185600000000 ] - [ 0.0015807700000000, -0.0001050500000000, 0.0000057900000000 ] - [ 0.1374360500000000, -0.0373433500000000, 0.0855616300000000 ] - [ 0.0002464200000000, -0.0004130400000000, -0.0009856400000000 ] - [ -0.0007094800000000, -0.0004753900000000, 0.0017716700000000 ] - [ 0.0013043300000000, -0.0000416100000000, 0.0005498200000000 ] - [ 0.0136329800000000, -0.0012446500000000, -0.0019571300000000 ] - [ -0.0001198200000000, 0.0005830000000000, -0.0011266400000000 ] - [ -0.0012227300000000, -0.0002003800000000, 0.0023415700000000 ] - [ 0.0012405200000000, -0.0006491000000000, -0.0001267500000000 ] - [ -0.0308748400000000, 0.0079258100000000, -0.0141062400000000 ] - [ -0.0009069100000000, 0.0002882300000000, -0.0005147200000000 ] - [ -0.0023562800000000, -0.0004432700000000, 0.0006622900000000 ] - [ -0.0011496300000000, -0.0005241700000000, -0.0001981600000000 ] - [ 0.0017504200000000, -0.0000838500000000, 0.0000012600000000 ] - [ 0.0026293500000000, 0.0001683700000000, -0.0002523000000000 ] - [ 0.0019357300000000, -0.0002910200000000, 0.0008837600000000 ] - [ 0.0027691600000000, 0.0000825300000000, 0.0010163300000000 ] - [ 0.0013508600000000, 0.0000104600000000, -0.0018280900000000 ] - [ 0.0025269100000000, -0.0001891000000000, 0.0000572900000000 ] - [ 0.0018360500000000, 0.0001096700000000, 0.0003279800000000 ] - [ 0.0026086400000000, -0.0010791100000000, 0.0032884300000000 ] - [ -0.0006111400000000, 0.0000376600000000, -0.0013757200000000 ] - [ 0.0025043600000000, 0.0002529300000000, 0.0003513400000000 ] - [ 0.0013994100000000, -0.0002320800000000, 0.0010789600000000 ] - [ 0.0106622800000000, 0.0044059000000000, 0.0054881800000000 ] - [ -0.0021958900000000, 0.0004137900000000, -0.0010311200000000 ] - [ 0.0030594700000000, 0.0003834100000000, -0.0023009200000000 ] - [ 0.0008454000000000, -0.0003419600000000, 0.0012146900000000 ] - [ -0.0833727500000000, 0.0455218100000000, -0.0639060100000000 ] - [ -0.0022925900000000, -0.0002185000000000, -0.0001205000000000 ] - [ 0.0004278500000000, 0.0002977700000000, -0.0035134600000000 ] - [ -0.0009805600000000, 0.0004817800000000, 0.0028309100000000 ] - [ -0.0458763500000000, -0.0217790100000000, 0.0028394300000000 ] - [ 0.0027661900000000, 0.0000192100000000, -0.0007027900000000 ] - [ 0.0017245200000000, -0.0000169900000000, 0.0008143500000000 ] - [ 0.0020522300000000, 0.0000133600000000, 0.0005342900000000 ] - [ 0.0010839700000000, 0.0000275400000000, 0.0002407700000000 ] - [ 0.0021471200000000, -0.0003913100000000, -0.0054689800000000 ] - [ 0.0024586100000000, -0.0000989300000000, 0.0009785700000000 ] - [ 0.0013004700000000, 0.0000550500000000, -0.0005140800000000 ] - [ -0.0013230800000000, 0.0002085300000000, 0.0021598600000000 ] - [ -0.0060428100000000, -0.0000254400000000, 0.0015193600000000 ] - [ -0.0011906900000000, -0.0003082100000000, 0.0015511400000000 ] - [ -0.0014479600000000, 0.0000261000000000, -0.0003889300000000 ] - [ -0.0042929000000000, -0.0009911600000000, -0.0035296800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001199200000000, -0.0000191800000000, 0.0001822500000000 ] - [ -0.0002142800000000, 0.0000041100000000, -0.0000250200000000 ] - [ -0.0003469200000000, 0.0001174100000000, -0.0002944500000000 ] - [ -0.0000617900000000, -0.0000800300000000, -0.0000018200000000 ] - [ -0.0002622300000000, 0.0000603100000000, 0.0001672700000000 ] - [ -0.0000496300000000, 0.0000806300000000, -0.0000807600000000 ] - [ 0.0000239300000000, -0.0000569900000000, -0.0003783200000000 ] - [ -0.0004807600000000, -0.0000348900000000, 0.0003072900000000 ] - [ 0.0002510700000000, -0.0001647300000000, -0.0001987400000000 ] - [ -0.0003078500000000, -0.0001530000000000, 0.0001089000000000 ] - [ -0.0003626100000000, 0.0001718600000000, -0.0000659700000000 ] - [ -0.0009341300000000, 0.0002165300000000, -0.0001232400000000 ] - [ 0.0008117600000000, 0.0001153500000000, -0.0001289100000000 ] - [ -0.0002851500000000, 0.0000939900000000, 0.0001922400000000 ] - [ -0.0001419400000000, -0.0001315100000000, 0.0000657400000000 ] - [ -0.0002993200000000, -0.0000821200000000, -0.0006401100000000 ] - [ 0.0001581000000000, 0.0000504800000000, -0.0002117000000000 ] - [ -0.0000789100000000, 0.0001423500000000, -0.0000282300000000 ] - [ -0.0000470900000000, -0.0001951200000000, -0.0002964100000000 ] - [ -0.0009671400000000, 0.0002784600000000, -0.0006344400000000 ] - [ 0.0004364900000000, -0.0001759200000000, -0.0009079400000000 ] - [ 0.0002735600000000, -0.0001920600000000, -0.0002797800000000 ] - [ -0.0002265300000000, 0.0003797200000000, -0.0001782800000000 ] - [ -0.0007401000000000, -0.0001777100000000, -0.0002216500000000 ] - [ -0.0000091600000000, 0.0001092900000000, -0.0007529700000000 ] - [ -0.0001052600000000, 0.0000415200000000, 0.0002237600000000 ] - [ -0.0001391500000000, -0.0000271100000000, 0.0000496000000000 ] - [ -0.0013048700000000, -0.0000553000000000, 0.0008410300000000 ] - [ 0.0008113400000000, 0.0001994000000000, -0.0011066500000000 ] - [ -0.0010698200000000, 0.0001012100000000, 0.0007460100000000 ] - [ -0.0001114600000000, 0.0000712300000000, -0.0003349300000000 ] - [ -0.0029375000000000, -0.0004928800000000, -0.0062767100000000 ] - [ -0.0077856600000000, 0.0225656000000000, -0.0133491400000000 ] - [ -0.0009686900000000, 0.0002436100000000, -0.0005270900000000 ] - [ 0.0012666100000000, -0.0003589000000000, -0.0002764300000000 ] - [ 0.0004296600000000, -0.0001955900000000, -0.0008769800000000 ] - [ 0.0073207000000000, 0.0102829500000000, -0.0064714200000000 ] - [ -0.0002038500000000, 0.0002470100000000, 0.0000354100000000 ] - [ 0.0007312100000000, -0.0001823600000000, -0.0001897400000000 ] - [ 0.0003539400000000, -0.0001745100000000, -0.0008400900000000 ] - [ 0.0380295700000000, -0.2973954800000000, 0.1517180700000000 ] - [ -0.0006498900000000, 0.0000705900000000, -0.0007291800000000 ] - [ 0.0002350800000000, -0.0004601400000000, 0.0007163800000000 ] - [ 0.0001955800000000, -0.0004880000000000, -0.0008668000000000 ] - [ 0.0012501300000000, 0.0812624800000000, 0.0023706000000000 ] - [ -0.0003095000000000, 0.0002609500000000, -0.0004747300000000 ] - [ 0.0001396500000000, 0.0001239000000000, 0.0008956900000000 ] - [ 0.0005192200000000, 0.0000038400000000, -0.0015315200000000 ] - [ -0.0109194100000000, -0.0016097100000000, -0.0034006000000000 ] - [ -0.0002153500000000, 0.0001798500000000, -0.0000761100000000 ] - [ 0.0000444400000000, -0.0001317500000000, 0.0004304000000000 ] - [ -0.0001853700000000, -0.0002936800000000, 0.0000547800000000 ] - [ -0.0000810500000000, 0.0000594400000000, 0.0000266800000000 ] - [ 0.0002800000000000, 0.0000568000000000, -0.0002469300000000 ] - [ 0.0003679900000000, -0.0001365700000000, 0.0001982700000000 ] - [ 0.0007875500000000, -0.0000534100000000, 0.0002765000000000 ] - [ -0.0004003200000000, 0.0000444300000000, 0.0004497700000000 ] - [ 0.0002692300000000, -0.0000053000000000, -0.0001079900000000 ] - [ 0.0002838100000000, 0.0000035900000000, 0.0002314800000000 ] - [ 0.0011311800000000, -0.0004529400000000, 0.0005841300000000 ] - [ -0.0003247500000000, -0.0000398300000000, 0.0004492000000000 ] - [ 0.0000558300000000, 0.0000521600000000, 0.0001207700000000 ] - [ 0.0001789300000000, -0.0000946100000000, 0.0006023200000000 ] - [ 0.0037311200000000, 0.0008955300000000, -0.0000418000000000 ] - [ -0.0008795300000000, 0.0001105400000000, 0.0016979500000000 ] - [ 0.0002710900000000, -0.0002594100000000, -0.0013093400000000 ] - [ 0.0006241300000000, 0.0000376200000000, 0.0009777400000000 ] - [ -0.0447125200000000, 0.0574858500000000, -0.0613933100000000 ] - [ -0.0004762800000000, -0.0000091000000000, 0.0017885900000000 ] - [ -0.0014559700000000, 0.0003288100000000, -0.0008271100000000 ] - [ 0.0012060700000000, -0.0000338700000000, 0.0009395700000000 ] - [ 0.0174508500000000, 0.1267510200000000, -0.0624803600000000 ] - [ 0.0003318900000000, -0.0000030300000000, -0.0009676900000000 ] - [ 0.0002405000000000, -0.0000172900000000, 0.0005179500000000 ] - [ 0.0002806000000000, 0.0000144000000000, 0.0003297900000000 ] - [ 0.0002402000000000, 0.0000202100000000, 0.0001004700000000 ] - [ -0.0006272300000000, -0.0004552100000000, -0.0022212700000000 ] - [ 0.0005456700000000, -0.0000753000000000, -0.0000625700000000 ] - [ -0.0000087700000000, 0.0000738800000000, -0.0000619200000000 ] - [ 0.0004237500000000, 0.0001345700000000, 0.0020040900000000 ] - [ -0.0001563000000000, -0.0000276800000000, 0.0033582700000000 ] - [ 0.0018048000000000, 0.0015392200000000, -0.0018468400000000 ] - [ -0.0006810000000000, -0.0000054300000000, 0.0007781100000000 ] - [ -0.0013820800000000, -0.0000850300000000, -0.0001931200000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001958000000000, -0.0000093800000000, 0.0000672300000000 ] - [ -0.0001003000000000, -0.0000325200000000, -0.0002252900000000 ] - [ 0.0000335900000000, -0.0000897000000000, 0.0000462700000000 ] - [ 0.0003791600000000, 0.0001098100000000, 0.0002527200000000 ] - [ -0.0001092900000000, 0.0000543900000000, 0.0003111700000000 ] - [ 0.0004251600000000, 0.0000339400000000, -0.0003984500000000 ] - [ 0.0003509800000000, -0.0000573900000000, -0.0000979900000000 ] - [ 0.0001107400000000, -0.0000798600000000, 0.0001696900000000 ] - [ -0.0002608800000000, -0.0001641600000000, 0.0001046600000000 ] - [ 0.0003195400000000, -0.0001761800000000, -0.0000137200000000 ] - [ 0.0003753700000000, 0.0001573900000000, 0.0001629000000000 ] - [ 0.0009324900000000, 0.0001118900000000, 0.0000278400000000 ] - [ -0.0007321000000000, 0.0001415000000000, -0.0001787800000000 ] - [ 0.0002023500000000, 0.0001629600000000, 0.0001146400000000 ] - [ 0.0000587200000000, -0.0001243400000000, 0.0002424700000000 ] - [ 0.0003873000000000, -0.0001745200000000, 0.0003355400000000 ] - [ -0.0003133700000000, 0.0001826300000000, 0.0004833300000000 ] - [ 0.0002339200000000, 0.0000897900000000, -0.0002409300000000 ] - [ 0.0002017100000000, -0.0000362600000000, 0.0000296000000000 ] - [ 0.0008240600000000, -0.0005145600000000, 0.0009123200000000 ] - [ -0.0009030000000000, -0.0001118600000000, 0.0006274100000000 ] - [ -0.0001301900000000, -0.0004014200000000, 0.0003186900000000 ] - [ 0.0000832500000000, 0.0002126800000000, 0.0001435400000000 ] - [ 0.0008858200000000, 0.0007738800000000, 0.0002570200000000 ] - [ -0.0001386000000000, -0.0000326400000000, 0.0004766400000000 ] - [ 0.0002547400000000, 0.0000361600000000, 0.0000583700000000 ] - [ 0.0002884900000000, -0.0000502300000000, 0.0002338600000000 ] - [ 0.0011723500000000, -0.0000169600000000, -0.0011310700000000 ] - [ -0.0005407400000000, -0.0002359100000000, 0.0008115700000000 ] - [ 0.0008009300000000, -0.0001366500000000, -0.0004478900000000 ] - [ -0.0001657400000000, -0.0000359200000000, 0.0006402300000000 ] - [ 0.0032469600000000, 0.0004028800000000, 0.0060660200000000 ] - [ 0.0082266500000000, -0.0224565300000000, 0.0135018600000000 ] - [ 0.0007574500000000, 0.0001055200000000, 0.0006978300000000 ] - [ -0.0014932800000000, 0.0000080000000000, 0.0004430500000000 ] - [ -0.0002143100000000, -0.0001542600000000, 0.0007125900000000 ] - [ -0.0080643600000000, -0.0100201600000000, 0.0070163300000000 ] - [ 0.0008393900000000, 0.0000152400000000, -0.0004692000000000 ] - [ -0.0001014300000000, -0.0000793100000000, -0.0002369000000000 ] - [ -0.0009944500000000, -0.0000890300000000, 0.0012760100000000 ] - [ -0.0342270200000000, 0.3071176200000000, -0.1538228600000000 ] - [ 0.0006074700000000, 0.0003596800000000, 0.0006937700000000 ] - [ -0.0002852100000000, 0.0000349200000000, -0.0007607600000000 ] - [ -0.0001514500000000, 0.0000609000000000, 0.0009142100000000 ] - [ -0.0014298600000000, -0.0810380800000000, -0.0032750500000000 ] - [ 0.0001681400000000, -0.0000418000000000, 0.0008096200000000 ] - [ -0.0002823500000000, -0.0003462200000000, -0.0005692800000000 ] - [ -0.0003807000000000, -0.0002241300000000, 0.0012111000000000 ] - [ 0.0105765900000000, 0.0018000500000000, 0.0031551200000000 ] - [ 0.0006788500000000, 0.0001083500000000, 0.0003654400000000 ] - [ 0.0004176000000000, -0.0001560400000000, -0.0001445400000000 ] - [ 0.0000414700000000, -0.0002987100000000, -0.0000912600000000 ] - [ 0.0001147100000000, 0.0000980400000000, 0.0001390100000000 ] - [ -0.0003172400000000, 0.0001006300000000, 0.0000833700000000 ] - [ -0.0004065000000000, -0.0000196700000000, -0.0003660800000000 ] - [ -0.0007606800000000, -0.0001036800000000, -0.0001126900000000 ] - [ 0.0005263900000000, 0.0000166300000000, -0.0005163200000000 ] - [ -0.0003956300000000, 0.0000664600000000, 0.0001727900000000 ] - [ -0.0004111600000000, -0.0000644600000000, -0.0001696400000000 ] - [ -0.0010150900000000, 0.0004010000000000, -0.0006489100000000 ] - [ 0.0007768300000000, 0.0001023700000000, -0.0010679300000000 ] - [ -0.0005063600000000, 0.0000092800000000, 0.0004923200000000 ] - [ -0.0006295900000000, 0.0000335900000000, 0.0000077100000000 ] - [ -0.0033260600000000, -0.0009930300000000, -0.0005847200000000 ] - [ 0.0007213700000000, -0.0000927400000000, -0.0018353500000000 ] - [ -0.0001090200000000, 0.0002776800000000, 0.0014428900000000 ] - [ -0.0004625900000000, -0.0000568000000000, -0.0008596400000000 ] - [ 0.0427452900000000, -0.0567723500000000, 0.0589016500000000 ] - [ 0.0009041900000000, -0.0000130600000000, -0.0018765600000000 ] - [ 0.0010456000000000, -0.0003515000000000, 0.0009065200000000 ] - [ -0.0016378300000000, 0.0000584500000000, -0.0008712000000000 ] - [ -0.0188552800000000, -0.1362437000000000, 0.0669267700000000 ] - [ -0.0002817600000000, -0.0000283800000000, 0.0002117800000000 ] - [ -0.0002971400000000, -0.0000141100000000, 0.0002415900000000 ] - [ -0.0003378600000000, 0.0000174100000000, 0.0004310000000000 ] - [ -0.0001890300000000, 0.0000114800000000, -0.0008649900000000 ] - [ 0.0007030400000000, 0.0002838500000000, 0.0025515700000000 ] - [ -0.0006161300000000, -0.0001033000000000, -0.0002544000000000 ] - [ -0.0000585600000000, 0.0001049600000000, -0.0002548900000000 ] - [ -0.0003644900000000, 0.0000418800000000, -0.0017075100000000 ] - [ 0.0006229800000000, 0.0000084600000000, -0.0033241400000000 ] - [ -0.0023113900000000, -0.0015647000000000, 0.0017883200000000 ] - [ 0.0002254400000000, 0.0000232600000000, -0.0008479400000000 ] - [ 0.0018451200000000, 0.0000705600000000, 0.0002788600000000 ]- atom: 41 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0002006700000000, -0.0000298800000000, 0.0001046700000000 ] - [ -0.0001077000000000, -0.0000280700000000, -0.0002164200000000 ] - [ 0.0002350200000000, -0.0001567500000000, 0.0000907500000000 ] - [ 0.0005708000000000, 0.0001584300000000, 0.0002738700000000 ] - [ -0.0000340700000000, 0.0000414700000000, 0.0004989500000000 ] - [ 0.0004453800000000, 0.0000258600000000, -0.0005093300000000 ] - [ 0.0006163300000000, -0.0000482600000000, 0.0000088200000000 ] - [ 0.0003189400000000, -0.0001081600000000, -0.0000131200000000 ] - [ -0.0005911600000000, -0.0001810200000000, 0.0004832200000000 ] - [ 0.0005185400000000, -0.0001849700000000, -0.0001060400000000 ] - [ 0.0006898300000000, 0.0001494100000000, 0.0002896700000000 ] - [ 0.0018019900000000, 0.0001024900000000, -0.0002195600000000 ] - [ -0.0018263900000000, 0.0004021300000000, 0.0002719600000000 ] - [ 0.0005481000000000, 0.0002166500000000, 0.0000332400000000 ] - [ -0.0000026000000000, -0.0000981800000000, 0.0003540500000000 ] - [ 0.0015118500000000, 0.0000511100000000, 0.0002275600000000 ] - [ -0.0007083000000000, 0.0003181100000000, 0.0016660700000000 ] - [ 0.0003753600000000, 0.0001102300000000, -0.0005131400000000 ] - [ 0.0002606000000000, 0.0000503400000000, 0.0003088500000000 ] - [ 0.0013567000000000, -0.0003009000000000, -0.0005526800000000 ] - [ -0.0013316000000000, -0.0001861600000000, 0.0022290100000000 ] - [ -0.0002089200000000, -0.0007024800000000, 0.0011502000000000 ] - [ 0.0002119300000000, 0.0001030300000000, 0.0004008000000000 ] - [ 0.0014435600000000, 0.0002892900000000, -0.0006110700000000 ] - [ 0.0000960600000000, -0.0001692000000000, 0.0016783000000000 ] - [ 0.0003152200000000, 0.0000173000000000, -0.0001298400000000 ] - [ 0.0004939600000000, -0.0000669400000000, 0.0004355300000000 ] - [ 0.0012983600000000, -0.0000793300000000, -0.0021982800000000 ] - [ -0.0011501300000000, -0.0004648600000000, 0.0034708000000000 ] - [ 0.0017712500000000, -0.0005958700000000, -0.0019736700000000 ] - [ -0.0005411100000000, -0.0001895300000000, 0.0014750200000000 ] - [ 0.0110753800000000, -0.0080978500000000, 0.0224772000000000 ] - [ 0.0090266600000000, -0.0158382600000000, 0.0026928100000000 ] - [ 0.0016592800000000, 0.0002957300000000, 0.0024751200000000 ] - [ -0.0044775600000000, 0.0000432600000000, 0.0004455900000000 ] - [ -0.0010740500000000, -0.0001410100000000, 0.0024684300000000 ] - [ -0.0112772100000000, -0.0167258000000000, 0.0056378200000000 ] - [ 0.0016601900000000, 0.0001730000000000, 0.0009155500000000 ] - [ -0.0011809800000000, -0.0001187700000000, -0.0003713400000000 ] - [ -0.0017487100000000, -0.0001294200000000, 0.0037350500000000 ] - [ -0.0609260600000000, 0.1451452700000000, -0.1825227300000000 ] - [ 0.0009716500000000, 0.0008232800000000, 0.0017552500000000 ] - [ -0.0019011000000000, 0.0004749800000000, -0.0022739400000000 ] - [ -0.0003074800000000, 0.0006911000000000, 0.0027002500000000 ] - [ 0.0067040500000000, -0.0023907000000000, -0.0110891500000000 ] - [ 0.0002467500000000, -0.0003733100000000, 0.0021790400000000 ] - [ -0.0004121900000000, -0.0006603900000000, -0.0027423100000000 ] - [ -0.0006651400000000, -0.0008282300000000, 0.0033621700000000 ] - [ 0.0064717600000000, -0.0005053700000000, -0.0071366700000000 ] - [ 0.0009820100000000, 0.0000787500000000, 0.0008336600000000 ] - [ 0.0002668200000000, -0.0001117200000000, -0.0007859900000000 ] - [ 0.0001150200000000, -0.0003676100000000, -0.0003069200000000 ] - [ 0.0002660200000000, 0.0001205900000000, 0.0000067600000000 ] - [ -0.0004310500000000, 0.0001162800000000, 0.0001053600000000 ] - [ -0.0008099600000000, 0.0000328100000000, -0.0004922000000000 ] - [ -0.0014425800000000, -0.0001176900000000, -0.0000869900000000 ] - [ 0.0010854600000000, 0.0000832700000000, -0.0019345100000000 ] - [ -0.0006867800000000, 0.0000866500000000, 0.0004895800000000 ] - [ -0.0006525200000000, -0.0000804100000000, -0.0005075400000000 ] - [ -0.0024281300000000, 0.0004180400000000, 0.0001850800000000 ] - [ 0.0009724300000000, 0.0001972700000000, -0.0029831000000000 ] - [ -0.0005843000000000, 0.0000577500000000, 0.0009876200000000 ] - [ -0.0009761700000000, 0.0000893200000000, -0.0005066600000000 ] - [ -0.0043075600000000, -0.0006536300000000, 0.0011651200000000 ] - [ 0.0012611000000000, 0.0002543600000000, -0.0053687500000000 ] - [ 0.0003937700000000, -0.0001412600000000, 0.0046191200000000 ] - [ -0.0007097500000000, 0.0000731700000000, -0.0024515300000000 ] - [ 0.0464984600000000, -0.0485848500000000, 0.1080959900000000 ] - [ 0.0021542500000000, -0.0003068800000000, -0.0052750300000000 ] - [ 0.0038161300000000, -0.0000478200000000, 0.0030864100000000 ] - [ -0.0024137500000000, -0.0002870700000000, -0.0028702200000000 ] - [ -0.0105013100000000, -0.0488101200000000, 0.0658440700000000 ] - [ -0.0001659900000000, -0.0000360200000000, 0.0008726700000000 ] - [ -0.0005987900000000, -0.0000140300000000, -0.0000053300000000 ] - [ -0.0004728500000000, 0.0000175700000000, 0.0006073200000000 ] - [ -0.0007169500000000, 0.0000062200000000, -0.0015085500000000 ] - [ 0.0067309100000000, -0.0001337500000000, 0.0009577900000000 ] - [ -0.0015062300000000, -0.0000695800000000, -0.0004577500000000 ] - [ 0.0003544900000000, 0.0001188600000000, -0.0003342300000000 ] - [ -0.0031759700000000, -0.0001945400000000, -0.0052884600000000 ] - [ 0.0002676700000000, 0.0000308400000000, -0.0068662800000000 ] - [ -0.0039138900000000, 0.0001124200000000, 0.0041612700000000 ] - [ 0.0015680200000000, 0.0000530100000000, -0.0023067700000000 ] - [ 0.0073382700000000, -0.0022730000000000, -0.0047973400000000 ]- atom: 41 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0001139600000000, 0.0000024600000000, 0.0001436500000000 ] - [ -0.0002065600000000, -0.0000004200000000, -0.0000367300000000 ] - [ -0.0005492300000000, 0.0001835200000000, -0.0003401500000000 ] - [ -0.0002551400000000, -0.0001298400000000, -0.0000225300000000 ] - [ -0.0003410700000000, 0.0000721900000000, -0.0000208800000000 ] - [ -0.0000682100000000, 0.0000878700000000, 0.0000278700000000 ] - [ -0.0002426600000000, -0.0000660400000000, -0.0004876400000000 ] - [ -0.0006923000000000, -0.0000059500000000, 0.0004924600000000 ] - [ 0.0005810400000000, -0.0001489000000000, -0.0005800000000000 ] - [ -0.0005093900000000, -0.0001451300000000, 0.0001993900000000 ] - [ -0.0006806400000000, 0.0001802600000000, -0.0001953100000000 ] - [ -0.0018070900000000, 0.0002271700000000, 0.0001280800000000 ] - [ 0.0019101600000000, -0.0001455300000000, -0.0005822400000000 ] - [ -0.0006327900000000, 0.0000408200000000, 0.0002707600000000 ] - [ -0.0000799600000000, -0.0001595400000000, -0.0000499000000000 ] - [ -0.0014347100000000, -0.0003117000000000, -0.0005247400000000 ] - [ 0.0005542200000000, -0.0000873100000000, -0.0014023300000000 ] - [ -0.0002214800000000, 0.0001216400000000, 0.0002455000000000 ] - [ -0.0001065700000000, -0.0002827200000000, -0.0005768200000000 ] - [ -0.0015056100000000, 0.0000631500000000, 0.0008425800000000 ] - [ 0.0008699600000000, -0.0001022800000000, -0.0025177400000000 ] - [ 0.0003521300000000, 0.0001113200000000, -0.0011182300000000 ] - [ -0.0003556800000000, 0.0004895600000000, -0.0004377600000000 ] - [ -0.0012921200000000, 0.0003110000000000, 0.0006604800000000 ] - [ -0.0002503700000000, 0.0002469700000000, -0.0019637100000000 ] - [ -0.0001643900000000, 0.0000597500000000, 0.0004105100000000 ] - [ -0.0003442000000000, -0.0000101500000000, -0.0001559900000000 ] - [ -0.0014300800000000, 0.0000051700000000, 0.0019132500000000 ] - [ 0.0014283000000000, 0.0004311000000000, -0.0037777200000000 ] - [ -0.0020530900000000, 0.0005618700000000, 0.0022806500000000 ] - [ 0.0002661400000000, 0.0002251800000000, -0.0011757000000000 ] - [ -0.0109957900000000, 0.0082937300000000, -0.0232101000000000 ] - [ -0.0086919000000000, 0.0160475500000000, -0.0029123400000000 ] - [ -0.0018779400000000, 0.0000526400000000, -0.0023149700000000 ] - [ 0.0042677400000000, -0.0003911200000000, -0.0002846000000000 ] - [ 0.0013026100000000, -0.0002065300000000, -0.0026365100000000 ] - [ 0.0104917300000000, 0.0168047900000000, -0.0051748500000000 ] - [ -0.0010282000000000, 0.0000891500000000, -0.0013505800000000 ] - [ 0.0018196300000000, -0.0001443500000000, -0.0000539500000000 ] - [ 0.0011187700000000, -0.0001324700000000, -0.0033177800000000 ] - [ 0.0641621900000000, -0.1459254800000000, 0.1851937100000000 ] - [ -0.0010187000000000, -0.0003941000000000, -0.0017999000000000 ] - [ 0.0018585600000000, -0.0009069600000000, 0.0022400000000000 ] - [ 0.0003557900000000, -0.0011222600000000, -0.0026654300000000 ] - [ -0.0066055900000000, 0.0028296700000000, 0.0109440900000000 ] - [ -0.0003881800000000, 0.0005946900000000, -0.0018513100000000 ] - [ 0.0002706100000000, 0.0004406400000000, 0.0030815800000000 ] - [ 0.0008115500000000, 0.0006067600000000, -0.0037036900000000 ] - [ -0.0067866300000000, 0.0007816800000000, 0.0069493400000000 ] - [ -0.0005203200000000, 0.0002098000000000, -0.0005524700000000 ] - [ 0.0001958600000000, -0.0001769800000000, 0.0010709800000000 ] - [ -0.0002590800000000, -0.0002246900000000, 0.0002707900000000 ] - [ -0.0002298800000000, 0.0000363000000000, 0.0001604100000000 ] - [ 0.0003962500000000, 0.0000409700000000, -0.0002686400000000 ] - [ 0.0007763500000000, -0.0001895600000000, 0.0003229400000000 ] - [ 0.0014740300000000, -0.0000394600000000, 0.0002488900000000 ] - [ -0.0009580900000000, -0.0000215500000000, 0.0018746700000000 ] - [ 0.0005620900000000, -0.0000262900000000, -0.0004259700000000 ] - [ 0.0005267400000000, 0.0000197100000000, 0.0005715700000000 ] - [ 0.0025536000000000, -0.0004750900000000, -0.0002707000000000 ] - [ -0.0005214700000000, -0.0001362400000000, 0.0023759600000000 ] - [ 0.0001361400000000, 0.0000042500000000, -0.0003774400000000 ] - [ 0.0005289900000000, -0.0001520300000000, 0.0011192900000000 ] - [ 0.0047041100000000, 0.0005652300000000, -0.0018171500000000 ] - [ -0.0014269600000000, -0.0002349800000000, 0.0052505900000000 ] - [ -0.0002310400000000, 0.0001587200000000, -0.0045055500000000 ] - [ 0.0008728800000000, -0.0000912100000000, 0.0025814400000000 ] - [ -0.0496341200000000, 0.0512257200000000, -0.1106692800000000 ] - [ -0.0017466900000000, 0.0002832200000000, 0.0052115000000000 ] - [ -0.0042429800000000, 0.0000263500000000, -0.0030219600000000 ] - [ 0.0019964500000000, 0.0003098900000000, 0.0029517600000000 ] - [ 0.0108034800000000, 0.0473448100000000, -0.0658782100000000 ] - [ 0.0002162200000000, 0.0000046300000000, -0.0016300800000000 ] - [ 0.0005447800000000, -0.0000173000000000, 0.0007649500000000 ] - [ 0.0004165100000000, 0.0000135700000000, 0.0001508100000000 ] - [ 0.0007761000000000, 0.0000249300000000, 0.0007478900000000 ] - [ -0.0066510400000000, -0.0000473700000000, -0.0006245600000000 ] - [ 0.0014406300000000, -0.0001084100000000, 0.0001411700000000 ] - [ -0.0004253200000000, 0.0000587900000000, 0.0000164300000000 ] - [ 0.0032654500000000, 0.0003735800000000, 0.0056167200000000 ] - [ 0.0001797800000000, -0.0000451100000000, 0.0069357700000000 ] - [ 0.0034910100000000, -0.0001325100000000, -0.0042258000000000 ] - [ -0.0020318300000000, -0.0000352600000000, 0.0022437400000000 ] - [ -0.0068973800000000, 0.0023100000000000, 0.0048577500000000 ]- atom: 45 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0006872800000000, -0.0001116800000000, 0.0000088800000000 ] - [ 0.0004735900000000, 0.0000763300000000, -0.0003473400000000 ] - [ 0.0004704900000000, -0.0003399200000000, 0.0004437300000000 ] - [ 0.0009072900000000, 0.0003752600000000, 0.0005934600000000 ] - [ 0.0005182000000000, 0.0001074000000000, 0.0001662100000000 ] - [ 0.0014929200000000, -0.0000474700000000, -0.0005406500000000 ] - [ 0.0007765300000000, -0.0000445800000000, 0.0000542900000000 ] - [ 0.0009847500000000, -0.0001213100000000, 0.0003357100000000 ] - [ 0.0008710800000000, -0.0001888500000000, -0.0002823100000000 ] - [ 0.0018376400000000, -0.0001815400000000, 0.0000772500000000 ] - [ 0.0015288500000000, 0.0001472200000000, 0.0002812000000000 ] - [ 0.0026231000000000, 0.0002481000000000, 0.0008212100000000 ] - [ 0.0007512000000000, -0.0000489700000000, -0.0012305100000000 ] - [ 0.0008410900000000, 0.0002061300000000, 0.0002763400000000 ] - [ 0.0008216000000000, -0.0002065900000000, 0.0002375300000000 ] - [ -0.0001189800000000, -0.0003793000000000, 0.0018408500000000 ] - [ 0.0000336300000000, -0.0000279100000000, -0.0008197600000000 ] - [ 0.0008261500000000, -0.0001525800000000, 0.0000294400000000 ] - [ 0.0006434600000000, 0.0001067700000000, -0.0000167000000000 ] - [ 0.0008995900000000, -0.0009315300000000, 0.0028049900000000 ] - [ -0.0017539500000000, 0.0000123400000000, -0.0003978000000000 ] - [ -0.0001410800000000, -0.0000902300000000, -0.0006340000000000 ] - [ 0.0004765600000000, 0.0001142400000000, 0.0002201500000000 ] - [ 0.0033086600000000, 0.0016121800000000, 0.0031867000000000 ] - [ -0.0003074000000000, 0.0000543500000000, -0.0001716900000000 ] - [ 0.0012012300000000, 0.0000438100000000, 0.0000524900000000 ] - [ 0.0008720000000000, -0.0000617700000000, 0.0002766000000000 ] - [ 0.0031250700000000, -0.0004366200000000, -0.0008901200000000 ] - [ -0.0014834900000000, -0.0001784300000000, -0.0017589800000000 ] - [ 0.0013662900000000, -0.0000761000000000, 0.0003411800000000 ] - [ 0.0003086100000000, 0.0000224100000000, 0.0001763200000000 ] - [ -0.0094179800000000, 0.0026475600000000, 0.0012477900000000 ] - [ 0.0023409000000000, 0.0057820300000000, 0.0188462300000000 ] - [ -0.0006182200000000, 0.0002818900000000, 0.0013894500000000 ] - [ 0.0006805300000000, -0.0002684700000000, -0.0008709500000000 ] - [ -0.0005311900000000, -0.0005494200000000, -0.0028636200000000 ] - [ -0.0057783300000000, -0.0048238200000000, -0.0135496100000000 ] - [ 0.0008925100000000, 0.0001362000000000, 0.0005032600000000 ] - [ 0.0014066700000000, -0.0000279600000000, -0.0008036700000000 ] - [ -0.0025308000000000, -0.0002149300000000, -0.0003394800000000 ] - [ -0.0135293500000000, 0.0016000600000000, 0.0046874900000000 ] - [ 0.0000189400000000, 0.0004529000000000, 0.0003041200000000 ] - [ 0.0011321300000000, -0.0000037700000000, -0.0001880400000000 ] - [ -0.0011468700000000, -0.0006666900000000, -0.0009076300000000 ] - [ -0.0803788300000000, -0.0794813100000000, -0.0324477700000000 ] - [ 0.0002183400000000, -0.0000874100000000, 0.0004440700000000 ] - [ 0.0008794400000000, -0.0000074400000000, -0.0001577600000000 ] - [ -0.0010558600000000, 0.0005588900000000, -0.0008160800000000 ] - [ 0.0159228700000000, 0.0186733300000000, 0.0012647200000000 ] - [ 0.0012479800000000, 0.0000219600000000, 0.0003527700000000 ] - [ 0.0022218300000000, 0.0000439400000000, 0.0000884000000000 ] - [ 0.0007071400000000, -0.0000888400000000, 0.0002223100000000 ] - [ -0.0010667000000000, 0.0001939200000000, 0.0002628400000000 ] - [ -0.0019479000000000, 0.0000251300000000, 0.0001663000000000 ] - [ -0.0014888700000000, 0.0001034600000000, -0.0009621900000000 ] - [ -0.0023300900000000, -0.0001945400000000, -0.0007629900000000 ] - [ -0.0006330500000000, 0.0001101000000000, 0.0015560400000000 ] - [ -0.0018724700000000, 0.0001861900000000, -0.0001267900000000 ] - [ -0.0015878400000000, -0.0001507700000000, -0.0000683100000000 ] - [ -0.0025464600000000, -0.0001378200000000, -0.0042409500000000 ] - [ 0.0013384200000000, -0.0000413500000000, 0.0007394900000000 ] - [ -0.0022694200000000, -0.0001632400000000, 0.0000200100000000 ] - [ -0.0014950200000000, 0.0001247300000000, -0.0000654400000000 ] - [ -0.0092050800000000, 0.0007036200000000, -0.0055766600000000 ] - [ 0.0019025900000000, -0.0004720300000000, 0.0014270300000000 ] - [ -0.0024423900000000, -0.0001670200000000, 0.0002240300000000 ] - [ -0.0008406800000000, 0.0001412200000000, -0.0000596300000000 ] - [ 0.0478174300000000, 0.0437253600000000, 0.0098733700000000 ] - [ 0.0029554900000000, 0.0004731400000000, 0.0012207500000000 ] - [ -0.0019703600000000, -0.0001480400000000, 0.0009487000000000 ] - [ -0.0005640100000000, -0.0001370800000000, -0.0008705500000000 ] - [ 0.0383239200000000, 0.0105611400000000, 0.0177899800000000 ] - [ -0.0022556600000000, -0.0000414300000000, 0.0001413900000000 ] - [ -0.0012438600000000, -0.0000132400000000, 0.0001206300000000 ] - [ -0.0016677800000000, 0.0000184900000000, 0.0002116000000000 ] - [ -0.0005578900000000, 0.0000032900000000, -0.0009583100000000 ] - [ -0.0002697400000000, -0.0002013200000000, 0.0045608700000000 ] - [ -0.0015094700000000, -0.0001152900000000, -0.0008058700000000 ] - [ -0.0014064500000000, 0.0001084800000000, -0.0000029300000000 ] - [ 0.0021752500000000, 0.0000355200000000, -0.0015818100000000 ] - [ 0.0046383900000000, -0.0001007600000000, -0.0009449000000000 ] - [ -0.0028336700000000, 0.0005593900000000, -0.0016222500000000 ] - [ -0.0003679000000000, -0.0000325700000000, 0.0007787300000000 ] - [ 0.0076974700000000, 0.0015634600000000, -0.0029328200000000 ]- atom: 45 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0003719000000000, 0.0000821400000000, 0.0002423000000000 ] - [ -0.0007880700000000, -0.0001047400000000, 0.0000994300000000 ] - [ -0.0007857700000000, 0.0003686400000000, -0.0006953600000000 ] - [ -0.0005934800000000, -0.0003478700000000, -0.0003450700000000 ] - [ -0.0008908500000000, 0.0000068600000000, 0.0003115400000000 ] - [ -0.0011207900000000, 0.0001617400000000, 0.0000648600000000 ] - [ -0.0004025600000000, -0.0000702800000000, -0.0005330200000000 ] - [ -0.0013597200000000, 0.0000064300000000, 0.0001423600000000 ] - [ -0.0008743800000000, -0.0001413000000000, 0.0001865200000000 ] - [ -0.0018301300000000, -0.0001488000000000, 0.0000189600000000 ] - [ -0.0015209800000000, 0.0001822300000000, -0.0001865900000000 ] - [ -0.0026392700000000, 0.0000805500000000, -0.0009189000000000 ] - [ -0.0006582200000000, 0.0003051700000000, 0.0009282900000000 ] - [ -0.0009260800000000, 0.0000511900000000, 0.0000280700000000 ] - [ -0.0009043800000000, -0.0000518000000000, 0.0000652100000000 ] - [ 0.0002037800000000, 0.0001218400000000, -0.0021527300000000 ] - [ -0.0001851400000000, 0.0002590100000000, 0.0010850000000000 ] - [ -0.0006721900000000, 0.0003833600000000, -0.0002955000000000 ] - [ -0.0004893100000000, -0.0003393900000000, -0.0002522200000000 ] - [ -0.0010558000000000, 0.0007010900000000, -0.0025458600000000 ] - [ 0.0012936100000000, -0.0003012700000000, 0.0001107100000000 ] - [ 0.0002863600000000, -0.0005027100000000, 0.0006676200000000 ] - [ -0.0006201300000000, 0.0004789100000000, -0.0002564200000000 ] - [ -0.0031863300000000, -0.0010242700000000, -0.0031673300000000 ] - [ 0.0001613300000000, 0.0000224900000000, -0.0001119800000000 ] - [ -0.0010525300000000, 0.0000333800000000, 0.0002307700000000 ] - [ -0.0007243200000000, -0.0000159800000000, 0.0000047300000000 ] - [ -0.0032854200000000, 0.0003630500000000, 0.0006181600000000 ] - [ 0.0017622300000000, 0.0001432600000000, 0.0014429900000000 ] - [ -0.0016482600000000, 0.0000426700000000, -0.0000288000000000 ] - [ -0.0005837300000000, 0.0000131000000000, 0.0001219600000000 ] - [ 0.0097239800000000, -0.0025969500000000, -0.0015252800000000 ] - [ -0.0020955000000000, -0.0053939100000000, -0.0188294700000000 ] - [ 0.0003883100000000, 0.0000648900000000, -0.0012325600000000 ] - [ -0.0008933000000000, -0.0000823400000000, 0.0010295500000000 ] - [ 0.0007570000000000, 0.0001982800000000, 0.0026774900000000 ] - [ 0.0051729900000000, 0.0050865200000000, 0.0139998100000000 ] - [ -0.0002629200000000, 0.0001253600000000, -0.0009341900000000 ] - [ -0.0007670700000000, -0.0002342800000000, 0.0003755000000000 ] - [ 0.0018890800000000, -0.0000494300000000, 0.0007598000000000 ] - [ 0.0134740900000000, -0.0010796700000000, -0.0046518500000000 ] - [ -0.0000716400000000, -0.0000246600000000, -0.0003521000000000 ] - [ -0.0011712500000000, -0.0004263300000000, 0.0001526200000000 ] - [ 0.0011913100000000, 0.0002325400000000, 0.0009407000000000 ] - [ 0.0803998800000000, 0.0801784500000000, 0.0328474500000000 ] - [ -0.0003620400000000, 0.0003107300000000, -0.0001175700000000 ] - [ -0.0010179900000000, -0.0002144000000000, 0.0005003900000000 ] - [ 0.0011971000000000, -0.0007793800000000, 0.0004712900000000 ] - [ -0.0166258100000000, -0.0187058900000000, -0.0015115100000000 ] - [ -0.0007880300000000, 0.0002662800000000, -0.0000714900000000 ] - [ -0.0017570200000000, -0.0003326200000000, 0.0001983100000000 ] - [ -0.0008505200000000, -0.0005040200000000, -0.0002561000000000 ] - [ 0.0010963000000000, -0.0000379000000000, -0.0000984500000000 ] - [ 0.0019157200000000, 0.0001304200000000, -0.0003348800000000 ] - [ 0.0014561400000000, -0.0002606100000000, 0.0007987000000000 ] - [ 0.0023681400000000, 0.0000376800000000, 0.0009317100000000 ] - [ 0.0007513900000000, -0.0000509700000000, -0.0016181600000000 ] - [ 0.0017490800000000, -0.0001267500000000, 0.0001912100000000 ] - [ 0.0014636900000000, 0.0000905000000000, 0.0001363800000000 ] - [ 0.0026800400000000, 0.0000798700000000, 0.0041908100000000 ] - [ -0.0008958700000000, 0.0001031300000000, -0.0013471700000000 ] - [ 0.0018227000000000, 0.0002243300000000, 0.0005891200000000 ] - [ 0.0010511400000000, -0.0001877300000000, 0.0006801300000000 ] - [ 0.0096793700000000, -0.0007783300000000, 0.0049766100000000 ] - [ -0.0020668100000000, 0.0004889800000000, -0.0015352700000000 ] - [ 0.0025984700000000, 0.0001844400000000, -0.0001155700000000 ] - [ 0.0010074500000000, -0.0001607400000000, 0.0001952700000000 ] - [ -0.0473916100000000, -0.0437174600000000, -0.0101402500000000 ] - [ -0.0025314200000000, -0.0004937000000000, -0.0012777500000000 ] - [ 0.0015413000000000, 0.0001237800000000, -0.0008789200000000 ] - [ 0.0001575800000000, 0.0001606200000000, 0.0009543000000000 ] - [ -0.0382101500000000, -0.0108773700000000, -0.0185057700000000 ] - [ 0.0023124000000000, 0.0000100800000000, -0.0009072900000000 ] - [ 0.0011897700000000, -0.0000184900000000, 0.0006399400000000 ] - [ 0.0016141700000000, 0.0000122500000000, 0.0005475100000000 ] - [ 0.0006108000000000, 0.0000268900000000, 0.0002021400000000 ] - [ 0.0003122500000000, 0.0000227800000000, -0.0042593400000000 ] - [ 0.0014461700000000, -0.0000628800000000, 0.0004890600000000 ] - [ 0.0013364200000000, 0.0000685100000000, -0.0003123700000000 ] - [ -0.0021169300000000, 0.0001413400000000, 0.0018950500000000 ] - [ -0.0041715100000000, 0.0000806900000000, 0.0010365700000000 ] - [ 0.0023991800000000, -0.0005702800000000, 0.0015440400000000 ] - [ -0.0000937300000000, 0.0000498200000000, -0.0008354300000000 ] - [ -0.0071498500000000, -0.0014907800000000, 0.0028176100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002934200000000, -0.0000355200000000, 0.0000718000000000 ] - [ 0.0000072400000000, -0.0000078600000000, -0.0002315900000000 ] - [ 0.0001324600000000, -0.0001304400000000, 0.0000917700000000 ] - [ 0.0004831400000000, 0.0001469300000000, 0.0002941600000000 ] - [ 0.0000242400000000, 0.0000630200000000, 0.0003062900000000 ] - [ 0.0006319300000000, 0.0000176200000000, -0.0004244300000000 ] - [ 0.0004830200000000, -0.0000509700000000, -0.0000821400000000 ] - [ 0.0002810900000000, -0.0000887600000000, 0.0001875500000000 ] - [ -0.0000630900000000, -0.0001701900000000, 0.0000866300000000 ] - [ 0.0006242500000000, -0.0001772200000000, 0.0000077500000000 ] - [ 0.0006375400000000, 0.0001555300000000, 0.0001795300000000 ] - [ 0.0011803000000000, 0.0000623400000000, 0.0000642400000000 ] - [ -0.0005654200000000, 0.0001813100000000, -0.0002934200000000 ] - [ 0.0003381200000000, 0.0001706700000000, 0.0001506800000000 ] - [ 0.0002228200000000, -0.0001433000000000, 0.0002367400000000 ] - [ 0.0005059200000000, -0.0001724300000000, 0.0003852800000000 ] - [ -0.0002946800000000, 0.0001689200000000, 0.0004070300000000 ] - [ 0.0003474300000000, 0.0000416100000000, -0.0001815000000000 ] - [ 0.0002992100000000, -0.0000062600000000, 0.0000169300000000 ] - [ 0.0009854200000000, -0.0005789500000000, 0.0008964400000000 ] - [ -0.0011981800000000, -0.0000999900000000, 0.0006899100000000 ] - [ -0.0001438100000000, -0.0003972800000000, 0.0002619800000000 ] - [ 0.0001705900000000, 0.0001916400000000, 0.0001591400000000 ] - [ 0.0007499700000000, 0.0015304800000000, 0.0006719500000000 ] - [ -0.0000775300000000, -0.0000407000000000, 0.0005958300000000 ] - [ 0.0004472000000000, 0.0000372200000000, 0.0000607500000000 ] - [ 0.0004154000000000, -0.0000517000000000, 0.0002385400000000 ] - [ 0.0018732000000000, -0.0002102700000000, -0.0010395400000000 ] - [ -0.0006847300000000, -0.0001367200000000, 0.0006772500000000 ] - [ 0.0006300100000000, -0.0001312400000000, -0.0002069300000000 ] - [ -0.0000399500000000, -0.0000233600000000, 0.0005089400000000 ] - [ 0.0023212400000000, 0.0205703700000000, 0.0132389700000000 ] - [ 0.0031504600000000, 0.0002051600000000, 0.0061533300000000 ] - [ 0.0003642300000000, 0.0002298200000000, 0.0007106100000000 ] - [ -0.0012866500000000, 0.0000495100000000, 0.0000378400000000 ] - [ -0.0003879800000000, -0.0002337500000000, -0.0009322100000000 ] - [ -0.0034593600000000, -0.0004548800000000, 0.0097525900000000 ] - [ 0.0008634500000000, 0.0001237700000000, 0.0000813800000000 ] - [ 0.0001961200000000, -0.0000666300000000, -0.0003570500000000 ] - [ -0.0017979800000000, -0.0000572400000000, 0.0012069400000000 ] - [ 0.0016308500000000, 0.0814056000000000, -0.0021068900000000 ] - [ 0.0004448100000000, 0.0003649800000000, 0.0005379600000000 ] - [ 0.0000669200000000, 0.0000178800000000, -0.0005605100000000 ] - [ -0.0005115800000000, -0.0001022000000000, 0.0006588400000000 ] - [ -0.0779341600000000, -0.3412790900000000, -0.1374641100000000 ] - [ 0.0001256900000000, -0.0000534600000000, 0.0006947800000000 ] - [ 0.0000310700000000, -0.0002003500000000, -0.0004887900000000 ] - [ -0.0005936700000000, -0.0001135200000000, 0.0007919200000000 ] - [ 0.0150123100000000, 0.0126289500000000, -0.0011159600000000 ] - [ 0.0007908900000000, 0.0000952500000000, 0.0003574000000000 ] - [ 0.0007895600000000, -0.0001036900000000, -0.0000381400000000 ] - [ 0.0001765200000000, -0.0002559600000000, -0.0000221300000000 ] - [ -0.0001136100000000, 0.0001169500000000, 0.0001281600000000 ] - [ -0.0006345500000000, 0.0000874200000000, 0.0000795400000000 ] - [ -0.0006713000000000, 0.0000023600000000, -0.0004437300000000 ] - [ -0.0010526900000000, -0.0001266000000000, -0.0001972000000000 ] - [ 0.0003593600000000, 0.0000332700000000, -0.0003211700000000 ] - [ -0.0006923900000000, 0.0000846400000000, 0.0001094300000000 ] - [ -0.0006722400000000, -0.0000818100000000, -0.0001431300000000 ] - [ -0.0011791300000000, 0.0007036700000000, -0.0005802300000000 ] - [ 0.0009298400000000, 0.0001071100000000, -0.0010294200000000 ] - [ -0.0008574200000000, -0.0000237300000000, 0.0003806600000000 ] - [ -0.0008222200000000, 0.0000498100000000, -0.0000047800000000 ] - [ -0.0057987700000000, -0.0010304600000000, -0.0028021500000000 ] - [ 0.0011155300000000, -0.0001283600000000, -0.0015354000000000 ] - [ -0.0005803200000000, 0.0000978800000000, 0.0009236700000000 ] - [ -0.0005109900000000, -0.0000043300000000, -0.0006183000000000 ] - [ 0.0514178200000000, 0.1793475600000000, 0.0475541200000000 ] - [ 0.0021943900000000, 0.0001929200000000, -0.0013556100000000 ] - [ 0.0003154100000000, -0.0003327900000000, 0.0010327300000000 ] - [ -0.0010235200000000, -0.0000048100000000, -0.0007779800000000 ] - [ 0.0078510900000000, 0.0467232300000000, 0.0678187700000000 ] - [ -0.0005846800000000, -0.0000239700000000, 0.0002002800000000 ] - [ -0.0005094100000000, -0.0000148000000000, 0.0002050100000000 ] - [ -0.0006078200000000, 0.0000167500000000, 0.0003900300000000 ] - [ -0.0003674300000000, 0.0000095600000000, -0.0009289200000000 ] - [ 0.0020640400000000, 0.0001656200000000, 0.0023060600000000 ] - [ -0.0007791300000000, -0.0000943000000000, -0.0003308900000000 ] - [ -0.0003566900000000, 0.0001051200000000, -0.0002059000000000 ] - [ -0.0008846100000000, 0.0000238900000000, -0.0028775500000000 ] - [ 0.0004106200000000, 0.0000800800000000, -0.0021121500000000 ] - [ -0.0016877400000000, -0.0000461200000000, 0.0004719800000000 ] - [ 0.0000745700000000, 0.0000062100000000, -0.0004823300000000 ] - [ 0.0049647500000000, 0.0010734000000000, -0.0007779400000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000203700000000, 0.0000062400000000, 0.0001788900000000 ] - [ -0.0003241200000000, -0.0000218200000000, -0.0000167900000000 ] - [ -0.0004505900000000, 0.0001593900000000, -0.0003441500000000 ] - [ -0.0001716100000000, -0.0001207400000000, -0.0000464000000000 ] - [ -0.0003999600000000, 0.0000504100000000, 0.0001713500000000 ] - [ -0.0002631700000000, 0.0000960000000000, -0.0000521400000000 ] - [ -0.0001123200000000, -0.0000645600000000, -0.0003980300000000 ] - [ -0.0006600000000000, -0.0000265000000000, 0.0002911200000000 ] - [ 0.0000561100000000, -0.0001602200000000, -0.0001834900000000 ] - [ -0.0006228000000000, -0.0001532700000000, 0.0000879300000000 ] - [ -0.0006357400000000, 0.0001728500000000, -0.0000853700000000 ] - [ -0.0012024300000000, 0.0002673800000000, -0.0001610300000000 ] - [ 0.0006589000000000, 0.0000729900000000, -0.0000120600000000 ] - [ -0.0004272300000000, 0.0000845700000000, 0.0001560400000000 ] - [ -0.0003105100000000, -0.0001139900000000, 0.0000696000000000 ] - [ -0.0004260500000000, -0.0000848200000000, -0.0006988500000000 ] - [ 0.0001441900000000, 0.0000614800000000, -0.0001412500000000 ] - [ -0.0001971100000000, 0.0001903000000000, -0.0000865700000000 ] - [ -0.0001484600000000, -0.0002285100000000, -0.0002869600000000 ] - [ -0.0011522000000000, 0.0003514200000000, -0.0006392800000000 ] - [ 0.0007517600000000, -0.0001903000000000, -0.0009853100000000 ] - [ 0.0002919200000000, -0.0001955200000000, -0.0002282600000000 ] - [ -0.0003182900000000, 0.0004014300000000, -0.0001974000000000 ] - [ -0.0006115300000000, -0.0009513200000000, -0.0006410500000000 ] - [ -0.0000707800000000, 0.0001175900000000, -0.0008857300000000 ] - [ -0.0003029000000000, 0.0000389200000000, 0.0002216300000000 ] - [ -0.0002711700000000, -0.0000262700000000, 0.0000417000000000 ] - [ -0.0020454700000000, 0.0001323900000000, 0.0007699300000000 ] - [ 0.0009735600000000, 0.0001003700000000, -0.0009884400000000 ] - [ -0.0009181600000000, 0.0000946400000000, 0.0005124100000000 ] - [ -0.0002397800000000, 0.0000581400000000, -0.0002126900000000 ] - [ -0.0020803200000000, -0.0207558400000000, -0.0138832500000000 ] - [ -0.0029943300000000, 0.0000067800000000, -0.0064187400000000 ] - [ -0.0005912100000000, 0.0001159000000000, -0.0005520900000000 ] - [ 0.0010793800000000, -0.0004022600000000, 0.0001252400000000 ] - [ 0.0006135200000000, -0.0001119100000000, 0.0007717500000000 ] - [ 0.0028611700000000, 0.0005780900000000, -0.0094026900000000 ] - [ -0.0002413900000000, 0.0001379100000000, -0.0005066100000000 ] - [ 0.0004338200000000, -0.0001970100000000, -0.0000669300000000 ] - [ 0.0011850100000000, -0.0002062600000000, -0.0007931600000000 ] - [ -0.0012613900000000, -0.0808951100000000, 0.0027326400000000 ] - [ -0.0005001700000000, 0.0000615900000000, -0.0005864100000000 ] - [ -0.0001128200000000, -0.0004516000000000, 0.0005245400000000 ] - [ 0.0005647900000000, -0.0003293700000000, -0.0006266000000000 ] - [ 0.0817644300000000, 0.3543807600000000, 0.1376324400000000 ] - [ -0.0002727100000000, 0.0002748800000000, -0.0003702500000000 ] - [ -0.0001766300000000, -0.0000197600000000, 0.0008269900000000 ] - [ 0.0007453900000000, -0.0001090200000000, -0.0011364700000000 ] - [ -0.0157246200000000, -0.0124292700000000, 0.0008508500000000 ] - [ -0.0003398400000000, 0.0001932700000000, -0.0000744300000000 ] - [ -0.0003368200000000, -0.0001865100000000, 0.0003263000000000 ] - [ -0.0003243200000000, -0.0003387900000000, -0.0000143400000000 ] - [ 0.0001477800000000, 0.0000384400000000, 0.0000365300000000 ] - [ 0.0006080500000000, 0.0000682100000000, -0.0002470300000000 ] - [ 0.0006447600000000, -0.0001611500000000, 0.0002819800000000 ] - [ 0.0010980400000000, -0.0000307700000000, 0.0003661800000000 ] - [ -0.0002399400000000, 0.0000261000000000, 0.0002596400000000 ] - [ 0.0005757600000000, -0.0000261800000000, -0.0000447600000000 ] - [ 0.0005548500000000, 0.0000210900000000, 0.0002098800000000 ] - [ 0.0013169800000000, -0.0007736000000000, 0.0005212300000000 ] - [ -0.0004939700000000, -0.0000469900000000, 0.0004246800000000 ] - [ 0.0004193500000000, 0.0000851600000000, 0.0002310000000000 ] - [ 0.0003846100000000, -0.0001142500000000, 0.0006208300000000 ] - [ 0.0062993400000000, 0.0009817900000000, 0.0022059000000000 ] - [ -0.0012975300000000, 0.0001476200000000, 0.0014288100000000 ] - [ 0.0007541100000000, -0.0000797700000000, -0.0008098200000000 ] - [ 0.0006862900000000, -0.0000154000000000, 0.0007530900000000 ] - [ -0.0556353100000000, -0.1923351900000000, -0.0508581500000000 ] - [ -0.0018014000000000, -0.0002185900000000, 0.0013008800000000 ] - [ -0.0007351000000000, 0.0003095700000000, -0.0009688600000000 ] - [ 0.0006241400000000, 0.0000263700000000, 0.0008599600000000 ] - [ -0.0070474800000000, -0.0459815900000000, -0.0653069900000000 ] - [ 0.0006450000000000, -0.0000083100000000, -0.0009671800000000 ] - [ 0.0004607200000000, -0.0000178500000000, 0.0005569100000000 ] - [ 0.0005602300000000, 0.0000136800000000, 0.0003698200000000 ] - [ 0.0004251500000000, 0.0000202800000000, 0.0001749900000000 ] - [ -0.0020164000000000, -0.0003488900000000, -0.0020213900000000 ] - [ 0.0007230500000000, -0.0000847400000000, 0.0000162200000000 ] - [ 0.0002952800000000, 0.0000716100000000, -0.0001096200000000 ] - [ 0.0009573100000000, 0.0001545000000000, 0.0032258800000000 ] - [ 0.0000421400000000, -0.0001038000000000, 0.0022067000000000 ] - [ 0.0012270100000000, 0.0000178800000000, -0.0005597400000000 ] - [ -0.0005344200000000, 0.0000108900000000, 0.0004227200000000 ] - [ -0.0045537400000000, -0.0010812900000000, 0.0008515900000000 ]- atom: 45 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0000644000000000, -0.0000108900000000, 0.0001468800000000 ] - [ -0.0002707600000000, -0.0000492400000000, -0.0001527800000000 ] - [ 0.0001214800000000, -0.0000884300000000, -0.0000270500000000 ] - [ 0.0004316500000000, 0.0000856000000000, 0.0001681300000000 ] - [ -0.0002037600000000, 0.0000258900000000, 0.0005598500000000 ] - [ 0.0000968600000000, 0.0000487200000000, -0.0004488500000000 ] - [ 0.0004994900000000, -0.0000525600000000, -0.0000260100000000 ] - [ 0.0000790900000000, -0.0001013600000000, -0.0000916300000000 ] - [ -0.0008761300000000, -0.0001741300000000, 0.0006161500000000 ] - [ 0.0000922300000000, -0.0001831300000000, -0.0001302800000000 ] - [ 0.0003480100000000, 0.0001499100000000, 0.0002639100000000 ] - [ 0.0014346100000000, 0.0001231200000000, -0.0004619900000000 ] - [ -0.0022604500000000, 0.0005301800000000, 0.0006136600000000 ] - [ 0.0003894700000000, 0.0002072300000000, -0.0000029400000000 ] - [ -0.0002527100000000, -0.0000709800000000, 0.0003487900000000 ] - [ 0.0018279900000000, 0.0001086700000000, -0.0000832100000000 ] - [ -0.0007511000000000, 0.0004024400000000, 0.0020122500000000 ] - [ 0.0002278300000000, 0.0001757000000000, -0.0006001100000000 ] - [ 0.0001143900000000, 0.0000088100000000, 0.0003430200000000 ] - [ 0.0012072400000000, -0.0000020400000000, -0.0015055200000000 ] - [ -0.0008153300000000, -0.0002125500000000, 0.0025385300000000 ] - [ -0.0001584000000000, -0.0008050000000000, 0.0014625600000000 ] - [ 0.0000836100000000, 0.0001245300000000, 0.0003985900000000 ] - [ 0.0013014000000000, -0.0007562900000000, -0.0018174700000000 ] - [ 0.0001242900000000, -0.0001373500000000, 0.0017069300000000 ] - [ 0.0000584000000000, 0.0000109700000000, -0.0001675800000000 ] - [ 0.0003218700000000, -0.0000680700000000, 0.0004614100000000 ] - [ 0.0000621000000000, -0.0003141900000000, -0.0022165700000000 ] - [ -0.0008812400000000, -0.0003681800000000, 0.0043374100000000 ] - [ 0.0018157500000000, -0.0003976600000000, -0.0022052600000000 ] - [ -0.0008972500000000, -0.0002284400000000, 0.0017553200000000 ] - [ 0.0049193000000000, 0.0236210600000000, 0.0122981700000000 ] - [ 0.0125418900000000, 0.0059351100000000, 0.0128461600000000 ] - [ 0.0018072700000000, 0.0004564400000000, 0.0022281600000000 ] - [ -0.0055810500000000, 0.0002337000000000, -0.0006197700000000 ] - [ -0.0012263200000000, 0.0002712000000000, 0.0056942200000000 ] - [ -0.0080419100000000, 0.0100823500000000, 0.0218052600000000 ] - [ 0.0017089800000000, 0.0001403400000000, 0.0007357800000000 ] - [ -0.0017296400000000, -0.0001060100000000, -0.0004218900000000 ] - [ -0.0007994900000000, 0.0001453100000000, 0.0049710000000000 ] - [ 0.0038921300000000, 0.0029608600000000, -0.0115349200000000 ] - [ 0.0012508300000000, 0.0008137200000000, 0.0021410300000000 ] - [ -0.0023500900000000, 0.0004762600000000, -0.0032329300000000 ] - [ 0.0001565300000000, 0.0012076600000000, 0.0036881600000000 ] - [ -0.0211095600000000, -0.1269672700000000, -0.2365248900000000 ] - [ 0.0001635400000000, -0.0003856400000000, 0.0024648600000000 ] - [ -0.0005388100000000, -0.0007778600000000, -0.0031634900000000 ] - [ -0.0003980900000000, -0.0011664900000000, 0.0046700400000000 ] - [ -0.0013665400000000, -0.0005752200000000, -0.0106635300000000 ] - [ 0.0007776000000000, 0.0001160200000000, 0.0009411700000000 ] - [ -0.0001416600000000, -0.0001339400000000, -0.0009246600000000 ] - [ -0.0000546800000000, -0.0004281500000000, -0.0004058200000000 ] - [ 0.0005780600000000, 0.0000976100000000, -0.0000696300000000 ] - [ 0.0000415800000000, 0.0001295700000000, 0.0000377900000000 ] - [ -0.0004992800000000, 0.0000031300000000, -0.0003188000000000 ] - [ -0.0010493400000000, -0.0000876500000000, 0.0001263100000000 ] - [ 0.0013838700000000, 0.0000318600000000, -0.0025759400000000 ] - [ -0.0002885300000000, 0.0000585000000000, 0.0005784500000000 ] - [ -0.0002884500000000, -0.0000507600000000, -0.0005500700000000 ] - [ -0.0025503100000000, 0.0001834700000000, 0.0010519800000000 ] - [ 0.0005828300000000, 0.0002497000000000, -0.0034982700000000 ] - [ -0.0001498900000000, 0.0001056200000000, 0.0011616000000000 ] - [ -0.0006872800000000, 0.0000672800000000, -0.0005427000000000 ] - [ -0.0010581400000000, 0.0003036600000000, 0.0040840200000000 ] - [ 0.0006697500000000, 0.0004204900000000, -0.0068866800000000 ] - [ 0.0007334700000000, -0.0001466900000000, 0.0051181800000000 ] - [ -0.0005281200000000, -0.0000620000000000, -0.0030739500000000 ] - [ 0.0041290100000000, 0.0253900300000000, 0.0559846500000000 ] - [ 0.0007822400000000, -0.0006944400000000, -0.0072753100000000 ] - [ 0.0047573400000000, -0.0001879400000000, 0.0041629000000000 ] - [ -0.0027303800000000, -0.0000977200000000, -0.0032172500000000 ] - [ 0.0115516700000000, 0.0617932400000000, 0.1488701700000000 ] - [ 0.0004381700000000, -0.0000320300000000, 0.0009036100000000 ] - [ -0.0003371200000000, -0.0000149600000000, -0.0000006300000000 ] - [ -0.0000818700000000, 0.0000163900000000, 0.0007107500000000 ] - [ -0.0006336400000000, 0.0000092000000000, -0.0015224700000000 ] - [ 0.0062130700000000, 0.0002898000000000, 0.0001404900000000 ] - [ -0.0013520100000000, -0.0000730300000000, -0.0003695800000000 ] - [ 0.0008458300000000, 0.0001190100000000, -0.0002993900000000 ] - [ -0.0043090300000000, 0.0001180900000000, -0.0055425200000000 ] - [ -0.0004708800000000, 0.0004648600000000, -0.0077866000000000 ] - [ -0.0058424500000000, -0.0000068800000000, 0.0022180900000000 ] - [ 0.0023416000000000, 0.0000990800000000, -0.0029797300000000 ] - [ 0.0005929400000000, -0.0023972300000000, 0.0065722900000000 ]- atom: 45 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0002514200000000, -0.0000174500000000, 0.0001013800000000 ] - [ -0.0000422600000000, 0.0000200900000000, -0.0001011600000000 ] - [ -0.0004325200000000, 0.0001133900000000, -0.0002194300000000 ] - [ -0.0001121200000000, -0.0000553600000000, 0.0000856500000000 ] - [ -0.0001676800000000, 0.0000885500000000, -0.0000826600000000 ] - [ 0.0002824900000000, 0.0000648900000000, -0.0000321800000000 ] - [ -0.0001244400000000, -0.0000627500000000, -0.0004486200000000 ] - [ -0.0004454400000000, -0.0000142400000000, 0.0005684300000000 ] - [ 0.0008642700000000, -0.0001563000000000, -0.0007108500000000 ] - [ -0.0000770800000000, -0.0001475700000000, 0.0002237300000000 ] - [ -0.0003316200000000, 0.0001793700000000, -0.0001674900000000 ] - [ -0.0014237400000000, 0.0002067600000000, 0.0003727800000000 ] - [ 0.0023350900000000, -0.0002721700000000, -0.0009235800000000 ] - [ -0.0004700300000000, 0.0000506400000000, 0.0003054500000000 ] - [ 0.0001732100000000, -0.0001873800000000, -0.0000446600000000 ] - [ -0.0017457100000000, -0.0003690000000000, -0.0002044900000000 ] - [ 0.0005943400000000, -0.0001710400000000, -0.0017454900000000 ] - [ -0.0000714300000000, 0.0000551100000000, 0.0003323000000000 ] - [ 0.0000422700000000, -0.0002405200000000, -0.0006092500000000 ] - [ -0.0013498700000000, -0.0002384800000000, 0.0017956600000000 ] - [ 0.0003432900000000, -0.0000761300000000, -0.0028176200000000 ] - [ 0.0002989300000000, 0.0002117900000000, -0.0014266600000000 ] - [ -0.0002248100000000, 0.0004669500000000, -0.0004333400000000 ] - [ -0.0011298200000000, 0.0013625600000000, 0.0018790300000000 ] - [ -0.0002766500000000, 0.0002136300000000, -0.0019845100000000 ] - [ 0.0000939000000000, 0.0000661600000000, 0.0004496400000000 ] - [ -0.0001708300000000, -0.0000097900000000, -0.0001792500000000 ] - [ -0.0001776000000000, 0.0002329700000000, 0.0019199200000000 ] - [ 0.0011528500000000, 0.0003336600000000, -0.0046352600000000 ] - [ -0.0020900400000000, 0.0003623800000000, 0.0025070900000000 ] - [ 0.0006237000000000, 0.0002638800000000, -0.0014535000000000 ] - [ -0.0047065200000000, -0.0238586500000000, -0.0127462100000000 ] - [ -0.0121279700000000, -0.0054930400000000, -0.0128829000000000 ] - [ -0.0020235300000000, -0.0001080500000000, -0.0020664000000000 ] - [ 0.0053625100000000, -0.0005767900000000, 0.0007926000000000 ] - [ 0.0014470500000000, -0.0006248900000000, -0.0058789700000000 ] - [ 0.0072176900000000, -0.0095977100000000, -0.0209629500000000 ] - [ -0.0010740200000000, 0.0001211400000000, -0.0011654100000000 ] - [ 0.0023650200000000, -0.0001566500000000, -0.0000032100000000 ] - [ 0.0001526800000000, -0.0004088300000000, -0.0045445100000000 ] - [ -0.0037943100000000, -0.0022173000000000, 0.0113546100000000 ] - [ -0.0012937700000000, -0.0003847200000000, -0.0021809000000000 ] - [ 0.0023062000000000, -0.0009072700000000, 0.0031972500000000 ] - [ -0.0001133800000000, -0.0016387800000000, -0.0036457800000000 ] - [ 0.0191252300000000, 0.1209062100000000, 0.2286695400000000 ] - [ -0.0003043600000000, 0.0006062100000000, -0.0021325600000000 ] - [ 0.0003960800000000, 0.0005560100000000, 0.0034998700000000 ] - [ 0.0005371800000000, 0.0009441900000000, -0.0050014100000000 ] - [ 0.0010877700000000, 0.0009991700000000, 0.0103729100000000 ] - [ -0.0003108700000000, 0.0001720500000000, -0.0006575000000000 ] - [ 0.0006078600000000, -0.0001550900000000, 0.0012086300000000 ] - [ -0.0000872500000000, -0.0001645600000000, 0.0003698500000000 ] - [ -0.0005438700000000, 0.0000586900000000, 0.0002384300000000 ] - [ -0.0000817700000000, 0.0000267600000000, -0.0002000600000000 ] - [ 0.0004588700000000, -0.0001586500000000, 0.0001447000000000 ] - [ 0.0010665600000000, -0.0000697100000000, 0.0000338200000000 ] - [ -0.0012529100000000, 0.0000286100000000, 0.0025106400000000 ] - [ 0.0001585400000000, 0.0000014500000000, -0.0005119100000000 ] - [ 0.0001565300000000, -0.0000104000000000, 0.0006140200000000 ] - [ 0.0026566900000000, -0.0002425700000000, -0.0011521600000000 ] - [ -0.0001260900000000, -0.0001882700000000, 0.0028829100000000 ] - [ -0.0003017900000000, -0.0000451500000000, -0.0005507300000000 ] - [ 0.0002356800000000, -0.0001288600000000, 0.0011519300000000 ] - [ 0.0014014000000000, -0.0003680600000000, -0.0047481500000000 ] - [ -0.0008236200000000, -0.0004033900000000, 0.0067517000000000 ] - [ -0.0005730400000000, 0.0001669800000000, -0.0049939500000000 ] - [ 0.0006864300000000, 0.0000421400000000, 0.0031991300000000 ] - [ -0.0041676200000000, -0.0247615700000000, -0.0557063000000000 ] - [ -0.0003534200000000, 0.0006736900000000, 0.0072012900000000 ] - [ -0.0051798900000000, 0.0001636300000000, -0.0040976000000000 ] - [ 0.0023084300000000, 0.0001211600000000, 0.0032898200000000 ] - [ -0.0096835100000000, -0.0567647300000000, -0.1415124500000000 ] - [ -0.0003954200000000, 0.0000001400000000, -0.0016530600000000 ] - [ 0.0002782000000000, -0.0000167300000000, 0.0007587000000000 ] - [ 0.0000196400000000, 0.0000143700000000, 0.0000481100000000 ] - [ 0.0006872400000000, 0.0000212400000000, 0.0007545600000000 ] - [ -0.0061212300000000, -0.0004638800000000, 0.0002185600000000 ] - [ 0.0012799100000000, -0.0001054000000000, 0.0000525700000000 ] - [ -0.0009191300000000, 0.0000583300000000, -0.0000192300000000 ] - [ 0.0043895000000000, 0.0000580700000000, 0.0058389000000000 ] - [ 0.0009153700000000, -0.0004784600000000, 0.0078347200000000 ] - [ 0.0054004700000000, -0.0000136600000000, -0.0022631800000000 ] - [ -0.0028051000000000, -0.0000821500000000, 0.0029164900000000 ] - [ 0.0002675900000000, 0.0025791300000000, -0.0069498200000000 ]- atom: 53 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ 0.0428213600000000, -0.0330751400000000, 0.0040119500000000 ] - [ 0.0352178300000000, 0.0096017400000000, 0.0035029500000000 ] - [ 0.0020979800000000, -0.0014156100000000, 0.0014441400000000 ] - [ 0.0016562500000000, 0.0010452600000000, 0.0019358100000000 ] - [ 0.1467472700000000, 0.0471580700000000, -0.1251040300000000 ] - [ 0.0070753500000000, -0.0023292100000000, -0.0059504100000000 ] - [ 0.0058458500000000, 0.0001094000000000, 0.0041146800000000 ] - [ 0.0024047400000000, -0.0001391400000000, 0.0008932300000000 ] - [ 0.2202107200000000, -0.0071900400000000, 0.0547494600000000 ] - [ 0.0027609300000000, 0.0017435200000000, -0.0026613100000000 ] - [ 0.0016275900000000, -0.0000277500000000, 0.0031385500000000 ] - [ 0.0048910500000000, 0.0002484000000000, 0.0009126100000000 ] - [ -0.0115568300000000, 0.0021988300000000, 0.0120272300000000 ] - [ -0.0040197800000000, 0.0003879700000000, -0.0031595100000000 ] - [ -0.0006674900000000, 0.0001279100000000, 0.0013809300000000 ] - [ 0.0019638300000000, -0.0000339500000000, -0.0005815400000000 ] - [ -0.0110024700000000, -0.0065882300000000, -0.0035748900000000 ] - [ -0.0015468300000000, 0.0011264700000000, -0.0032333500000000 ] - [ -0.0011680200000000, 0.0002407600000000, 0.0018903300000000 ] - [ 0.0008743000000000, -0.0006856800000000, 0.0006266600000000 ] - [ -0.0062220500000000, 0.0010752600000000, -0.0039924200000000 ] - [ -0.0100062800000000, 0.0050420900000000, -0.0081739900000000 ] - [ -0.0016434700000000, -0.0002830100000000, 0.0020300100000000 ] - [ 0.0008630300000000, 0.0009080800000000, 0.0009336200000000 ] - [ 0.0023515200000000, -0.0000041200000000, -0.0082775400000000 ] - [ 0.0001021700000000, -0.0000688600000000, -0.0014867100000000 ] - [ -0.0061451900000000, -0.0000574700000000, 0.0030051400000000 ] - [ 0.0014534100000000, 0.0000709300000000, 0.0023771100000000 ] - [ -0.0035264000000000, -0.0001913200000000, -0.0007091000000000 ] - [ -0.0026387000000000, 0.0000769400000000, -0.0009564400000000 ] - [ -0.0024663300000000, -0.0001489300000000, 0.0002921800000000 ] - [ -0.0011183900000000, 0.0001210800000000, -0.0005074200000000 ] - [ -0.0031379700000000, 0.0004217700000000, -0.0000658900000000 ] - [ -0.0037982200000000, -0.0001594000000000, -0.0003597200000000 ] - [ -0.0025810600000000, 0.0000628300000000, -0.0005826600000000 ] - [ -0.0027583400000000, -0.0004792300000000, -0.0012165500000000 ] - [ -0.0043854600000000, -0.0000121500000000, 0.0014084000000000 ] - [ -0.0033933600000000, 0.0002122100000000, -0.0001196600000000 ] - [ -0.0018647400000000, -0.0001447600000000, -0.0005450800000000 ] - [ -0.0020430400000000, -0.0002039300000000, -0.0012042600000000 ] - [ -0.0017116500000000, 0.0001157600000000, 0.0000097600000000 ] - [ -0.0026712000000000, -0.0000838700000000, -0.0008448700000000 ] - [ -0.0019773800000000, 0.0001723000000000, -0.0011202200000000 ] - [ -0.0027271300000000, -0.0009893300000000, -0.0018748100000000 ] - [ -0.0010085500000000, -0.0000195800000000, 0.0002391000000000 ] - [ -0.0020026600000000, 0.0007313100000000, -0.0000683700000000 ] - [ -0.0015438800000000, -0.0007674000000000, -0.0005423000000000 ] - [ -0.0022757200000000, 0.0009650500000000, -0.0015973500000000 ] - [ -0.0010164300000000, 0.0002609500000000, 0.0014885900000000 ] - [ -0.0052468800000000, 0.0005366300000000, 0.0007192800000000 ] - [ -0.0029682500000000, -0.0004561300000000, -0.0009120200000000 ] - [ -0.0010112100000000, -0.0013092500000000, -0.0026987900000000 ] - [ -0.4718743200000000, -0.0079690500000000, 0.0560011400000000 ] - [ -0.0072870200000000, -0.0023046700000000, 0.0161164700000000 ] - [ -0.0036083200000000, 0.0008574000000000, -0.0045260600000000 ] - [ -0.0051353300000000, -0.0007601200000000, -0.0024053700000000 ] - [ 0.0571564400000000, 0.0014926400000000, -0.0021266000000000 ] - [ 0.0025455900000000, -0.0000511300000000, 0.0064972500000000 ] - [ 0.0005855100000000, -0.0000348400000000, -0.0029688100000000 ] - [ -0.0041706000000000, 0.0001225200000000, 0.0001683900000000 ] - [ 0.0054870300000000, -0.0037098600000000, 0.0154588600000000 ] - [ 0.0022540400000000, 0.0003700000000000, 0.0050408200000000 ] - [ 0.0067234900000000, 0.0000626700000000, -0.0035579000000000 ] - [ -0.0001005200000000, -0.0004336700000000, -0.0023999500000000 ] - [ 0.0072095800000000, -0.0004259600000000, 0.0016000800000000 ] - [ 0.0039937300000000, 0.0003350900000000, 0.0012318700000000 ] - [ 0.0053207000000000, -0.0003141500000000, -0.0001228800000000 ] - [ 0.0018845800000000, 0.0000531700000000, -0.0004120700000000 ] - [ 0.0038976100000000, 0.0003263600000000, 0.0029814900000000 ] - [ 0.0030843200000000, -0.0002210600000000, 0.0012398200000000 ] - [ 0.0047199200000000, 0.0002352900000000, 0.0005707100000000 ] - [ 0.0046779800000000, -0.0000062800000000, -0.0011919300000000 ] - [ -0.0082444800000000, -0.0008281500000000, -0.0089034000000000 ] - [ 0.0131670800000000, -0.0030998400000000, -0.0111228700000000 ] - [ -0.0021580800000000, 0.0000375900000000, 0.0016269100000000 ] - [ -0.0181645800000000, -0.0013674200000000, 0.0082801800000000 ] - [ 0.0064823200000000, -0.0004056000000000, -0.0047228100000000 ] - [ 0.0060908200000000, 0.0000290000000000, 0.0010553100000000 ] - [ 0.0024588600000000, 0.0001090200000000, -0.0000109700000000 ] - [ 0.0005201600000000, -0.0000819300000000, 0.0038461100000000 ] - [ 0.0051252800000000, 0.0001215600000000, 0.0001428900000000 ] - [ 0.0036983700000000, -0.0000980700000000, 0.0003633800000000 ] - [ 0.0034966600000000, 0.0000814600000000, 0.0004640900000000 ] - [ 0.0030493500000000, -0.0000200300000000, 0.0007753100000000 ]- atom: 53 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ -0.0419974200000000, 0.0323455700000000, -0.0034131600000000 ] - [ -0.0353489600000000, -0.0088672300000000, -0.0026350400000000 ] - [ -0.0024206500000000, 0.0014431800000000, -0.0016851200000000 ] - [ -0.0013474800000000, -0.0010166700000000, -0.0016812900000000 ] - [ -0.1496523800000000, -0.0490781200000000, 0.1314274300000000 ] - [ -0.0066686300000000, 0.0024191500000000, 0.0054026600000000 ] - [ -0.0054844600000000, -0.0002255700000000, -0.0045802300000000 ] - [ -0.0027836400000000, 0.0000252500000000, -0.0004157300000000 ] - [ -0.2065520600000000, 0.0060760500000000, -0.0499395300000000 ] - [ -0.0028442200000000, -0.0020795200000000, 0.0027472100000000 ] - [ -0.0016460100000000, 0.0003574700000000, -0.0030498900000000 ] - [ -0.0048944900000000, 0.0000805000000000, -0.0010054700000000 ] - [ 0.0115839800000000, -0.0019337600000000, -0.0123281300000000 ] - [ 0.0039476800000000, -0.0001403500000000, 0.0034842200000000 ] - [ 0.0005751100000000, -0.0003845700000000, -0.0010789300000000 ] - [ -0.0018650600000000, -0.0002224400000000, 0.0002903100000000 ] - [ 0.0108322900000000, 0.0068099300000000, 0.0037992700000000 ] - [ 0.0017001600000000, -0.0008935200000000, 0.0029884300000000 ] - [ 0.0013185300000000, -0.0004784000000000, -0.0021688700000000 ] - [ -0.0010233600000000, 0.0004486700000000, -0.0003524300000000 ] - [ 0.0057696800000000, -0.0013692300000000, 0.0037015900000000 ] - [ 0.0102162600000000, -0.0056640400000000, 0.0082164300000000 ] - [ 0.0014961800000000, 0.0008820400000000, -0.0020774300000000 ] - [ -0.0007132600000000, -0.0003114200000000, -0.0008898500000000 ] - [ -0.0024847400000000, 0.0000771100000000, 0.0079812900000000 ] - [ 0.0000337000000000, 0.0001466100000000, 0.0017761700000000 ] - [ 0.0063142800000000, -0.0000183100000000, -0.0027511000000000 ] - [ -0.0015917600000000, -0.0001470500000000, -0.0026485200000000 ] - [ 0.0038046700000000, 0.0001561600000000, 0.0004006500000000 ] - [ 0.0023640400000000, -0.0001119600000000, 0.0012647300000000 ] - [ 0.0021896700000000, 0.0001846700000000, 0.0000074300000000 ] - [ 0.0014002800000000, -0.0000856700000000, 0.0002091300000000 ] - [ 0.0033627200000000, -0.0000742400000000, -0.0000956300000000 ] - [ 0.0035782300000000, 0.0005077400000000, 0.0005230900000000 ] - [ 0.0023610700000000, -0.0004108100000000, 0.0007476200000000 ] - [ 0.0029852500000000, 0.0001312300000000, 0.0010522700000000 ] - [ 0.0037466700000000, 0.0002739600000000, -0.0009753900000000 ] - [ 0.0040342300000000, 0.0000495000000000, -0.0003107200000000 ] - [ 0.0024978500000000, -0.0001176000000000, 0.0001189500000000 ] - [ 0.0014166600000000, -0.0000587800000000, 0.0016298000000000 ] - [ 0.0017631300000000, 0.0003116800000000, 0.0000372700000000 ] - [ 0.0026236900000000, 0.0005130700000000, 0.0008007900000000 ] - [ 0.0019306300000000, -0.0006027100000000, 0.0010817600000000 ] - [ 0.0027781600000000, 0.0005590800000000, 0.0019141600000000 ] - [ 0.0011542900000000, 0.0002431400000000, -0.0005663400000000 ] - [ 0.0018605200000000, -0.0005099600000000, 0.0003972500000000 ] - [ 0.0014012300000000, 0.0005474400000000, 0.0008778200000000 ] - [ 0.0024220100000000, -0.0011865600000000, 0.0012607300000000 ] - [ 0.0005659600000000, 0.0000288800000000, -0.0017670000000000 ] - [ 0.0057136700000000, -0.0002476700000000, -0.0004400600000000 ] - [ 0.0034278000000000, 0.0001669100000000, 0.0012033600000000 ] - [ 0.0008591300000000, 0.0007182900000000, 0.0026742800000000 ] - [ 0.4595872100000000, 0.0109374400000000, -0.0683080100000000 ] - [ 0.0074074600000000, 0.0024361900000000, -0.0162249700000000 ] - [ 0.0036075100000000, -0.0010177200000000, 0.0043513400000000 ] - [ 0.0051700100000000, 0.0006047000000000, 0.0025622300000000 ] - [ -0.0566056300000000, -0.0014625400000000, 0.0022986200000000 ] - [ -0.0026374100000000, 0.0001078600000000, -0.0064842100000000 ] - [ -0.0006877500000000, -0.0000233700000000, 0.0030430000000000 ] - [ 0.0042854200000000, -0.0001798300000000, -0.0002441100000000 ] - [ -0.0050493300000000, 0.0037926200000000, -0.0160270300000000 ] - [ -0.0026915400000000, -0.0003044500000000, -0.0044548200000000 ] - [ -0.0071789300000000, -0.0001303700000000, 0.0041948000000000 ] - [ 0.0005355700000000, 0.0003680800000000, 0.0017755400000000 ] - [ -0.0073827400000000, 0.0004440300000000, -0.0017168400000000 ] - [ -0.0038285100000000, -0.0003173800000000, -0.0011143000000000 ] - [ -0.0051575400000000, 0.0002959500000000, 0.0002533200000000 ] - [ -0.0020600600000000, -0.0000726100000000, 0.0002806500000000 ] - [ -0.0034888600000000, -0.0003492400000000, -0.0030521700000000 ] - [ -0.0035022400000000, 0.0001982900000000, -0.0011685100000000 ] - [ -0.0051412400000000, -0.0002120200000000, -0.0004903500000000 ] - [ -0.0042620900000000, 0.0000304300000000, 0.0011060100000000 ] - [ 0.0082582600000000, 0.0007937900000000, 0.0081176500000000 ] - [ -0.0132231400000000, 0.0031373200000000, 0.0120199000000000 ] - [ 0.0021279800000000, -0.0000056600000000, -0.0008599500000000 ] - [ 0.0181595900000000, 0.0014005700000000, -0.0090920900000000 ] - [ -0.0064056600000000, 0.0002255900000000, 0.0050276800000000 ] - [ -0.0061748400000000, -0.0002073600000000, -0.0013713800000000 ] - [ -0.0025197400000000, 0.0000687000000000, -0.0003048600000000 ] - [ -0.0004689000000000, 0.0002590900000000, -0.0035301000000000 ] - [ -0.0046697300000000, -0.0001396600000000, -0.0000746200000000 ] - [ -0.0041596600000000, 0.0000802500000000, -0.0004324300000000 ] - [ -0.0039570600000000, -0.0000637200000000, -0.0005292300000000 ] - [ -0.0025972400000000, 0.0000379300000000, -0.0007110300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0329263000000000, 0.1793730100000000, -0.0430694100000000 ] - [ 0.0048293300000000, 0.0543414200000000, 0.0740529900000000 ] - [ -0.0004907000000000, 0.0000234600000000, 0.0004328500000000 ] - [ -0.0001741100000000, 0.0000048000000000, 0.0005397400000000 ] - [ 0.0477621000000000, 0.0551104000000000, -0.0594633500000000 ] - [ -0.0020335500000000, -0.0072605500000000, 0.0088470600000000 ] - [ -0.0001337500000000, -0.0000045300000000, -0.0000823800000000 ] - [ -0.0006797700000000, -0.0000405500000000, 0.0004589600000000 ] - [ -0.0086151400000000, 0.0236849500000000, -0.0044285600000000 ] - [ 0.0056963900000000, -0.0085782400000000, 0.0076370400000000 ] - [ -0.0006403700000000, 0.0003091800000000, -0.0001618500000000 ] - [ -0.0003555200000000, 0.0000835300000000, -0.0000984400000000 ] - [ 0.0007240700000000, 0.0001528300000000, -0.0002423300000000 ] - [ 0.0014153200000000, -0.0002015700000000, -0.0003875500000000 ] - [ -0.0000640900000000, -0.0000967800000000, 0.0005663700000000 ] - [ 0.0003638200000000, -0.0001441900000000, 0.0004592900000000 ] - [ 0.0017488400000000, 0.0020732200000000, 0.0000055700000000 ] - [ 0.0007668100000000, -0.0005893500000000, -0.0000574900000000 ] - [ -0.0000919400000000, -0.0000854600000000, 0.0000705100000000 ] - [ -0.0000735800000000, -0.0002000900000000, 0.0002970500000000 ] - [ 0.0000763100000000, -0.0001473600000000, -0.0000713000000000 ] - [ -0.0008123400000000, -0.0006430200000000, -0.0004801800000000 ] - [ -0.0001297800000000, 0.0001941500000000, 0.0000179900000000 ] - [ 0.0001409100000000, 0.0003973600000000, 0.0001349500000000 ] - [ -0.0000116400000000, -0.0001287000000000, -0.0004386300000000 ] - [ -0.0000348100000000, 0.0000517300000000, 0.0004999400000000 ] - [ -0.0010540500000000, 0.0000859800000000, 0.0002771400000000 ] - [ -0.0002924400000000, 0.0000155000000000, -0.0000154200000000 ] - [ 0.0003324400000000, -0.0000049600000000, -0.0001288500000000 ] - [ 0.0001290000000000, -0.0000304400000000, 0.0001722700000000 ] - [ -0.0000655600000000, 0.0000220900000000, 0.0002231000000000 ] - [ 0.0003068600000000, 0.0000106100000000, -0.0000837900000000 ] - [ 0.0003660700000000, 0.0001523000000000, -0.0000598700000000 ] - [ 0.0001248000000000, 0.0001897800000000, 0.0000602900000000 ] - [ 0.0001147200000000, -0.0001979000000000, 0.0001794000000000 ] - [ 0.0003117200000000, -0.0001545500000000, -0.0000277200000000 ] - [ -0.0000767900000000, 0.0001353800000000, 0.0001957600000000 ] - [ 0.0006383900000000, 0.0001189800000000, -0.0003392200000000 ] - [ 0.0004670400000000, -0.0001367600000000, -0.0000979800000000 ] - [ -0.0000920100000000, -0.0001339100000000, 0.0002292300000000 ] - [ 0.0001880200000000, 0.0001950800000000, 0.0000884700000000 ] - [ 0.0000674100000000, 0.0001921900000000, -0.0000450400000000 ] - [ 0.0001896900000000, -0.0002734100000000, 0.0001245500000000 ] - [ 0.0001862700000000, -0.0001894200000000, 0.0000860100000000 ] - [ 0.0001886600000000, 0.0001498600000000, -0.0001288700000000 ] - [ -0.0000185100000000, 0.0001201500000000, 0.0001218400000000 ] - [ 0.0001110100000000, -0.0000286000000000, 0.0002760000000000 ] - [ 0.0001892700000000, -0.0001596500000000, -0.0001387700000000 ] - [ -0.0000554600000000, 0.0001655000000000, -0.0001192100000000 ] - [ -0.0000171000000000, 0.0001564000000000, 0.0000594400000000 ] - [ 0.0007006300000000, -0.0000314000000000, 0.0004016200000000 ] - [ 0.0005761000000000, 0.0003078900000000, 0.0004878300000000 ] - [ -0.0070919000000000, -0.3769583800000000, 0.0354362300000000 ] - [ 0.0022783700000000, 0.0749121700000000, -0.0243135200000000 ] - [ 0.0009227800000000, -0.0004360300000000, -0.0009009000000000 ] - [ 0.0007040000000000, 0.0001581900000000, -0.0006560800000000 ] - [ -0.0007453800000000, 0.0013649300000000, 0.0005578500000000 ] - [ -0.0039972100000000, 0.0008922800000000, 0.0002041400000000 ] - [ 0.0003855900000000, -0.0001689500000000, -0.0002723300000000 ] - [ 0.0002317100000000, 0.0001174600000000, -0.0003937500000000 ] - [ 0.0001519600000000, -0.0001137700000000, -0.0005399900000000 ] - [ -0.0004983100000000, -0.0003827100000000, -0.0005864600000000 ] - [ 0.0001629100000000, 0.0001875300000000, 0.0000773900000000 ] - [ 0.0000983900000000, -0.0001806900000000, -0.0005147700000000 ] - [ -0.0004335200000000, 0.0000415200000000, -0.0001005200000000 ] - [ -0.0004792000000000, -0.0000215000000000, -0.0000570500000000 ] - [ 0.0000560100000000, -0.0000202200000000, 0.0000582500000000 ] - [ -0.0003687200000000, -0.0000251700000000, -0.0001299400000000 ] - [ -0.0000776500000000, -0.0000293500000000, -0.0000910900000000 ] - [ -0.0005026300000000, 0.0000136500000000, -0.0001967900000000 ] - [ -0.0005287800000000, 0.0000221200000000, 0.0001757300000000 ] - [ -0.0001168900000000, 0.0000210800000000, -0.0000810400000000 ] - [ -0.0013576400000000, -0.0016082600000000, 0.0017273800000000 ] - [ -0.0048013200000000, 0.0056455400000000, 0.0073689600000000 ] - [ 0.0002022000000000, -0.0000227500000000, -0.0008044700000000 ] - [ -0.0017586700000000, -0.0016869400000000, -0.0028847800000000 ] - [ -0.0001729100000000, -0.0000479800000000, 0.0002600800000000 ] - [ -0.0004418900000000, -0.0001900300000000, 0.0003877500000000 ] - [ -0.0001368500000000, 0.0000925300000000, -0.0005001300000000 ] - [ -0.0003169900000000, 0.0000618600000000, 0.0000746100000000 ] - [ -0.0000480800000000, -0.0000164600000000, 0.0000363700000000 ] - [ -0.0005891000000000, 0.0000003300000000, -0.0000280500000000 ] - [ -0.0004430000000000, 0.0000080500000000, -0.0001085500000000 ] - [ -0.0000600100000000, 0.0000136200000000, -0.0000415400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0304042600000000, -0.1665233600000000, 0.0391689000000000 ] - [ -0.0052860800000000, -0.0547749400000000, -0.0772094300000000 ] - [ 0.0001717400000000, 0.0000083800000000, -0.0006814100000000 ] - [ 0.0004870000000000, 0.0000223300000000, -0.0002919500000000 ] - [ -0.0481690600000000, -0.0539524700000000, 0.0599006300000000 ] - [ 0.0024118700000000, 0.0072780300000000, -0.0092614700000000 ] - [ 0.0005033800000000, -0.0001054600000000, -0.0004075100000000 ] - [ 0.0003022900000000, -0.0000744400000000, 0.0000181500000000 ] - [ 0.0072423400000000, -0.0237671500000000, 0.0039062600000000 ] - [ -0.0056812900000000, 0.0081733700000000, -0.0075199000000000 ] - [ 0.0006465800000000, 0.0000216500000000, 0.0002519700000000 ] - [ 0.0003399400000000, 0.0002450000000000, 0.0000008800000000 ] - [ -0.0005993800000000, 0.0000949300000000, -0.0000925300000000 ] - [ -0.0014884200000000, 0.0004586100000000, 0.0006983000000000 ] - [ -0.0000195300000000, -0.0001596000000000, -0.0002587100000000 ] - [ -0.0002770200000000, -0.0001122100000000, -0.0007613000000000 ] - [ -0.0018897100000000, -0.0018105300000000, 0.0002670300000000 ] - [ -0.0006100000000000, 0.0008155200000000, -0.0002102700000000 ] - [ 0.0002458200000000, -0.0001467300000000, -0.0003395100000000 ] - [ -0.0000802700000000, -0.0000327400000000, -0.0000289300000000 ] - [ -0.0005311700000000, -0.0001439800000000, -0.0002110600000000 ] - [ 0.0009879700000000, 0.0000246800000000, 0.0005399400000000 ] - [ -0.0000134600000000, 0.0003984800000000, -0.0000557900000000 ] - [ 0.0000040000000000, 0.0001957100000000, -0.0000994000000000 ] - [ -0.0001481800000000, 0.0002064500000000, 0.0001544200000000 ] - [ 0.0001815100000000, 0.0000259200000000, -0.0002163600000000 ] - [ 0.0011992600000000, -0.0001616500000000, 0.0000043300000000 ] - [ 0.0001412200000000, -0.0000926100000000, -0.0002684800000000 ] - [ -0.0000502400000000, -0.0000305600000000, -0.0001704800000000 ] - [ -0.0004040500000000, -0.0000050700000000, 0.0001294600000000 ] - [ -0.0002101500000000, 0.0000135000000000, 0.0000781700000000 ] - [ -0.0000271500000000, 0.0000245100000000, -0.0002169600000000 ] - [ -0.0001406400000000, 0.0001958200000000, -0.0001046200000000 ] - [ -0.0003414000000000, 0.0001593100000000, 0.0001048000000000 ] - [ -0.0003320400000000, -0.0001507700000000, -0.0000137500000000 ] - [ -0.0000877100000000, -0.0001941300000000, -0.0001359200000000 ] - [ -0.0005481100000000, 0.0001270400000000, 0.0002299800000000 ] - [ -0.0000027300000000, 0.0001432600000000, -0.0000885900000000 ] - [ 0.0001665700000000, -0.0001257000000000, -0.0003279800000000 ] - [ -0.0005371300000000, -0.0001285800000000, 0.0001990500000000 ] - [ -0.0001374300000000, 0.0002339100000000, -0.0000469100000000 ] - [ -0.0001133800000000, 0.0002372900000000, 0.0000043200000000 ] - [ -0.0002349900000000, -0.0001561200000000, -0.0001642500000000 ] - [ -0.0001358600000000, -0.0002389200000000, -0.0000431300000000 ] - [ -0.0000429100000000, 0.0000710200000000, -0.0002028600000000 ] - [ -0.0001237700000000, 0.0000997400000000, 0.0002091400000000 ] - [ -0.0002530800000000, -0.0001912100000000, 0.0000562900000000 ] - [ -0.0000425400000000, -0.0000626600000000, -0.0001916900000000 ] - [ -0.0004011000000000, 0.0001225700000000, -0.0001698900000000 ] - [ 0.0004788300000000, 0.0001316000000000, 0.0002273600000000 ] - [ -0.0002381500000000, -0.0002562500000000, -0.0001130500000000 ] - [ -0.0007195000000000, -0.0008977400000000, -0.0005201900000000 ] - [ 0.0117529200000000, 0.3629863700000000, -0.0272842300000000 ] - [ -0.0024718700000000, -0.0742308000000000, 0.0235724000000000 ] - [ -0.0009527600000000, 0.0002722400000000, 0.0007378800000000 ] - [ -0.0006609400000000, -0.0003117000000000, 0.0008206300000000 ] - [ 0.0008401700000000, -0.0013132000000000, -0.0006526600000000 ] - [ 0.0038500200000000, -0.0008277400000000, -0.0001437000000000 ] - [ -0.0005086800000000, 0.0001072500000000, 0.0003376500000000 ] - [ -0.0001031800000000, -0.0001764600000000, 0.0003280300000000 ] - [ 0.0003068800000000, 0.0001904500000000, -0.0000867100000000 ] - [ 0.0000506200000000, 0.0004417000000000, 0.0011940000000000 ] - [ -0.0006140100000000, -0.0002482800000000, 0.0005379900000000 ] - [ 0.0003471300000000, 0.0001175500000000, -0.0000958800000000 ] - [ 0.0002587400000000, -0.0000224800000000, -0.0000264200000000 ] - [ 0.0006417100000000, 0.0000397200000000, 0.0001802400000000 ] - [ 0.0001071700000000, 0.0000017600000000, 0.0000667500000000 ] - [ 0.0001970500000000, 0.0000064200000000, 0.0000058900000000 ] - [ 0.0004883000000000, 0.0000058600000000, 0.0000142200000000 ] - [ 0.0000835800000000, -0.0000367000000000, 0.0002696800000000 ] - [ 0.0001088000000000, 0.0000010800000000, -0.0001012500000000 ] - [ 0.0005252400000000, 0.0000022500000000, 0.0000072200000000 ] - [ 0.0014095700000000, 0.0015723000000000, -0.0024599200000000 ] - [ 0.0046130200000000, -0.0056834500000000, -0.0065177800000000 ] - [ -0.0002569000000000, 0.0000543900000000, 0.0015580600000000 ] - [ 0.0018170100000000, 0.0017403300000000, 0.0020941400000000 ] - [ 0.0002308500000000, -0.0001286300000000, 0.0000594500000000 ] - [ 0.0003719400000000, 0.0000108100000000, -0.0007032300000000 ] - [ 0.0000686200000000, 0.0000857900000000, 0.0001831200000000 ] - [ 0.0003807200000000, 0.0001161500000000, 0.0002400000000000 ] - [ 0.0005000100000000, -0.0000016500000000, 0.0000281600000000 ] - [ 0.0001260900000000, -0.0000181500000000, -0.0000374200000000 ] - [ -0.0000189600000000, 0.0000096000000000, 0.0000427000000000 ] - [ 0.0005141700000000, 0.0000041600000000, 0.0001059200000000 ]- atom: 53 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ -0.0020437600000000, -0.0552755000000000, 0.0609513900000000 ] - [ 0.0023337800000000, 0.0727432500000000, 0.1698682100000000 ] - [ 0.0010758000000000, 0.0021165000000000, -0.0068064600000000 ] - [ 0.0013985000000000, -0.0019839700000000, -0.0063763000000000 ] - [ -0.1574537400000000, -0.0664923600000000, 0.2337074600000000 ] - [ 0.0025612000000000, -0.0040150700000000, -0.0128128100000000 ] - [ 0.0019957300000000, 0.0003290400000000, -0.0081624800000000 ] - [ 0.0010417400000000, -0.0006151500000000, -0.0063567100000000 ] - [ 0.0205054300000000, -0.0020083500000000, 0.0430791800000000 ] - [ -0.0192849900000000, -0.0060170600000000, -0.0037477100000000 ] - [ 0.0029638900000000, 0.0002620900000000, -0.0035513300000000 ] - [ 0.0011715700000000, -0.0000492000000000, -0.0043442900000000 ] - [ 0.0001555300000000, 0.0009647700000000, 0.0077917000000000 ] - [ -0.0019847300000000, -0.0004357200000000, 0.0082500100000000 ] - [ 0.0001579400000000, -0.0005060400000000, -0.0041869600000000 ] - [ -0.0011178200000000, 0.0001881400000000, -0.0053571300000000 ] - [ -0.0027271200000000, -0.0006434200000000, 0.0029153300000000 ] - [ -0.0038590700000000, 0.0006979500000000, 0.0010347900000000 ] - [ 0.0015778500000000, -0.0005590000000000, -0.0028077300000000 ] - [ 0.0007679300000000, 0.0006647500000000, -0.0027778000000000 ] - [ -0.0028014100000000, 0.0001117600000000, 0.0001841700000000 ] - [ -0.0014308100000000, -0.0010673300000000, 0.0018754700000000 ] - [ 0.0015516800000000, 0.0009092600000000, -0.0024374800000000 ] - [ 0.0011649700000000, -0.0004748400000000, -0.0029647800000000 ] - [ -0.0046987800000000, -0.0000802100000000, 0.0002718200000000 ] - [ -0.0023416300000000, 0.0000451600000000, -0.0019506400000000 ] - [ 0.0073427900000000, 0.0000734800000000, -0.0015258300000000 ] - [ 0.0048056600000000, -0.0000855500000000, -0.0021433700000000 ] - [ -0.0000927200000000, -0.0000952500000000, 0.0009266400000000 ] - [ -0.0007293200000000, 0.0000655800000000, 0.0010166500000000 ] - [ 0.0002520200000000, 0.0000779600000000, -0.0007569400000000 ] - [ 0.0001745800000000, -0.0000476100000000, -0.0012194900000000 ] - [ 0.0002082400000000, 0.0001463200000000, 0.0002059200000000 ] - [ 0.0000337400000000, 0.0002223300000000, 0.0005468000000000 ] - [ -0.0004639800000000, -0.0001128600000000, -0.0004181000000000 ] - [ -0.0001912100000000, -0.0002207100000000, -0.0004135200000000 ] - [ 0.0001915300000000, 0.0001373400000000, 0.0004907400000000 ] - [ 0.0004085600000000, 0.0001648600000000, 0.0005012000000000 ] - [ 0.0000437800000000, -0.0000958000000000, -0.0009073900000000 ] - [ -0.0009739700000000, -0.0001285000000000, -0.0001116300000000 ] - [ 0.0003622700000000, 0.0001747200000000, -0.0000443700000000 ] - [ 0.0005406900000000, 0.0004235800000000, 0.0003174500000000 ] - [ -0.0006830800000000, 0.0000058600000000, -0.0004075300000000 ] - [ -0.0004836800000000, -0.0002899900000000, -0.0000023400000000 ] - [ 0.0004115200000000, 0.0001737400000000, -0.0003548800000000 ] - [ 0.0004668100000000, -0.0001450700000000, 0.0003581400000000 ] - [ -0.0007200600000000, -0.0003695600000000, -0.0000931700000000 ] - [ -0.0004125600000000, 0.0000057100000000, -0.0000307300000000 ] - [ 0.0020150800000000, 0.0002985000000000, -0.0006473100000000 ] - [ 0.0037489100000000, -0.0001638200000000, 0.0002479000000000 ] - [ -0.0025896900000000, -0.0005831100000000, -0.0007368700000000 ] - [ -0.0038161600000000, -0.0012933000000000, -0.0002784000000000 ] - [ 0.1376092900000000, 0.0379240600000000, -0.5321739500000000 ] - [ 0.0170070700000000, 0.0240881800000000, 0.0216882700000000 ] - [ -0.0038854600000000, -0.0010313800000000, 0.0109871400000000 ] - [ -0.0016642900000000, 0.0007533600000000, 0.0107110200000000 ] - [ 0.0033780500000000, 0.0001951800000000, -0.0079855200000000 ] - [ 0.0171960600000000, 0.0000441800000000, -0.0075418900000000 ] - [ -0.0034900300000000, 0.0003642100000000, 0.0054864400000000 ] - [ -0.0019693900000000, -0.0005707600000000, 0.0060862100000000 ] - [ 0.0051500100000000, -0.0001238600000000, -0.0037689600000000 ] - [ 0.0043056600000000, 0.0008788700000000, 0.0023518500000000 ] - [ -0.0059645900000000, -0.0002414300000000, 0.0041579600000000 ] - [ -0.0039357300000000, 0.0001992600000000, 0.0041359100000000 ] - [ 0.0017082100000000, -0.0000406000000000, -0.0009542400000000 ] - [ 0.0025523900000000, 0.0000898900000000, -0.0002293900000000 ] - [ -0.0020907000000000, 0.0001172200000000, 0.0005635200000000 ] - [ -0.0014333500000000, -0.0000450200000000, 0.0008713900000000 ] - [ 0.0009146500000000, 0.0000618400000000, 0.0001614800000000 ] - [ 0.0004176600000000, -0.0001228900000000, 0.0009765800000000 ] - [ -0.0005701500000000, -0.0001201900000000, -0.0008145600000000 ] - [ -0.0002326700000000, 0.0000721900000000, -0.0001079700000000 ] - [ -0.0144782900000000, -0.0001269400000000, 0.0108077100000000 ] - [ -0.0157591600000000, 0.0017225000000000, -0.0023592400000000 ] - [ 0.0027837300000000, 0.0000443300000000, 0.0095671300000000 ] - [ 0.0119113000000000, -0.0014704500000000, 0.0187560800000000 ] - [ -0.0017055300000000, -0.0000025100000000, -0.0021636900000000 ] - [ -0.0005812400000000, -0.0000346400000000, -0.0043030900000000 ] - [ 0.0002523100000000, 0.0001035800000000, 0.0028060200000000 ] - [ 0.0014983700000000, 0.0001482600000000, 0.0024509900000000 ] - [ 0.0001720300000000, 0.0000089600000000, -0.0006811700000000 ] - [ 0.0000267500000000, -0.0000375200000000, -0.0006755800000000 ] - [ -0.0001933000000000, -0.0000154000000000, 0.0006281200000000 ] - [ 0.0005409100000000, 0.0000192200000000, 0.0007569200000000 ]- atom: 53 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0023016400000000, 0.0549971400000000, -0.0599560200000000 ] - [ -0.0034308800000000, -0.0788712700000000, -0.1793194600000000 ] - [ -0.0013819900000000, -0.0020881000000000, 0.0065485600000000 ] - [ -0.0010757300000000, 0.0020136000000000, 0.0066218100000000 ] - [ 0.1475035300000000, 0.0621312400000000, -0.2233788300000000 ] - [ -0.0021390400000000, 0.0040491500000000, 0.0122919400000000 ] - [ -0.0015945900000000, -0.0004464000000000, 0.0076587100000000 ] - [ -0.0014105100000000, 0.0005007900000000, 0.0068397300000000 ] - [ -0.0214996800000000, 0.0016755100000000, -0.0437488400000000 ] - [ 0.0192920700000000, 0.0056961000000000, 0.0037987100000000 ] - [ -0.0029298600000000, 0.0000663600000000, 0.0036577600000000 ] - [ -0.0011818800000000, 0.0003794700000000, 0.0042497500000000 ] - [ -0.0000590500000000, -0.0007116500000000, -0.0081477700000000 ] - [ 0.0018878400000000, 0.0006921100000000, -0.0079453700000000 ] - [ -0.0002372600000000, 0.0002505900000000, 0.0045006600000000 ] - [ 0.0011895800000000, -0.0004441400000000, 0.0050328500000000 ] - [ 0.0026171700000000, 0.0009014500000000, -0.0026343800000000 ] - [ 0.0040128100000000, -0.0004622600000000, -0.0013170500000000 ] - [ -0.0014222500000000, 0.0003306300000000, 0.0025484000000000 ] - [ -0.0009257200000000, -0.0008939300000000, 0.0030426700000000 ] - [ 0.0023426300000000, -0.0004019800000000, -0.0004608900000000 ] - [ 0.0016126500000000, 0.0004551800000000, -0.0017995500000000 ] - [ -0.0016960600000000, -0.0003199800000000, 0.0024140900000000 ] - [ -0.0010244200000000, 0.0010658000000000, 0.0029951500000000 ] - [ 0.0045233300000000, 0.0001548500000000, -0.0005292500000000 ] - [ 0.0024989600000000, 0.0000321700000000, 0.0022281300000000 ] - [ -0.0072058500000000, -0.0001552500000000, 0.0018168300000000 ] - [ -0.0049660800000000, 0.0000074400000000, 0.0018590400000000 ] - [ 0.0003717200000000, 0.0000602800000000, -0.0012293200000000 ] - [ 0.0004491500000000, -0.0001006100000000, -0.0007183500000000 ] - [ -0.0005310100000000, -0.0000432600000000, 0.0010629400000000 ] - [ 0.0000984200000000, 0.0000826900000000, 0.0009159400000000 ] - [ 0.0000106300000000, 0.0002024200000000, -0.0003721700000000 ] - [ -0.0002581600000000, 0.0001260000000000, -0.0003833200000000 ] - [ 0.0002404500000000, -0.0002350900000000, 0.0005821200000000 ] - [ 0.0004102400000000, -0.0001281100000000, 0.0002507900000000 ] - [ -0.0008240100000000, 0.0001252200000000, -0.0000661700000000 ] - [ 0.0002178300000000, 0.0000976100000000, -0.0009284000000000 ] - [ 0.0005876900000000, -0.0001664100000000, 0.0004801200000000 ] - [ 0.0003362800000000, -0.0001334500000000, 0.0005423000000000 ] - [ -0.0003186000000000, 0.0002550500000000, 0.0000821000000000 ] - [ -0.0005906400000000, 0.0000053400000000, -0.0003578000000000 ] - [ 0.0006350700000000, -0.0004337900000000, 0.0003650600000000 ] - [ 0.0005297800000000, -0.0001376200000000, 0.0000447600000000 ] - [ -0.0002706600000000, 0.0000443200000000, 0.0000216800000000 ] - [ -0.0006125200000000, 0.0003648000000000, -0.0000266000000000 ] - [ 0.0005757500000000, 0.0001493200000000, 0.0004218800000000 ] - [ 0.0005567300000000, -0.0002265400000000, -0.0002979900000000 ] - [ -0.0024836600000000, -0.0000122000000000, 0.0003536600000000 ] - [ -0.0032978400000000, 0.0004521500000000, 0.0000450800000000 ] - [ 0.0030491100000000, 0.0002951800000000, 0.0010221000000000 ] - [ 0.0036706000000000, 0.0006969600000000, 0.0002311600000000 ] - [ -0.1261666800000000, -0.0268307000000000, 0.5315680200000000 ] - [ -0.0171717800000000, -0.0239670900000000, -0.0219332200000000 ] - [ 0.0038074400000000, 0.0008711000000000, -0.0111407500000000 ] - [ 0.0016955800000000, -0.0009128600000000, -0.0105409100000000 ] - [ -0.0033035300000000, -0.0001249200000000, 0.0079555000000000 ] - [ -0.0173218400000000, 0.0000168100000000, 0.0076403500000000 ] - [ 0.0033532100000000, -0.0004262800000000, -0.0054378300000000 ] - [ 0.0020961000000000, 0.0005056300000000, -0.0061374800000000 ] - [ -0.0046948700000000, 0.0001942400000000, 0.0030954900000000 ] - [ -0.0047586600000000, -0.0008162400000000, -0.0017218000000000 ] - [ 0.0055247900000000, 0.0001785200000000, -0.0035610400000000 ] - [ 0.0043963600000000, -0.0002591200000000, -0.0047432900000000 ] - [ -0.0018792800000000, 0.0000588400000000, 0.0008275700000000 ] - [ -0.0023840500000000, -0.0000713600000000, 0.0003572800000000 ] - [ 0.0022629400000000, -0.0001355400000000, -0.0004433200000000 ] - [ 0.0012749300000000, 0.0000275400000000, -0.0009917700000000 ] - [ -0.0004944200000000, -0.0000853700000000, -0.0002414800000000 ] - [ -0.0008316600000000, 0.0000993700000000, -0.0008992100000000 ] - [ 0.0001598100000000, 0.0001438900000000, 0.0008878600000000 ] - [ 0.0006516700000000, -0.0000492300000000, 0.0000379400000000 ] - [ 0.0145877500000000, 0.0000826200000000, -0.0116132000000000 ] - [ 0.0156185000000000, -0.0017107500000000, 0.0030653100000000 ] - [ -0.0028558200000000, -0.0000112200000000, -0.0088081200000000 ] - [ -0.0117442000000000, 0.0014669700000000, -0.0193256700000000 ] - [ 0.0017688200000000, -0.0001766400000000, 0.0024942100000000 ] - [ 0.0005293500000000, -0.0001436600000000, 0.0039907300000000 ] - [ -0.0003213500000000, 0.0000752000000000, -0.0031236200000000 ] - [ -0.0014190500000000, 0.0000310900000000, -0.0021402800000000 ] - [ 0.0002876800000000, -0.0000267100000000, 0.0007478300000000 ] - [ -0.0004809900000000, 0.0000198200000000, 0.0006129000000000 ] - [ -0.0002626300000000, 0.0000330400000000, -0.0006952000000000 ] - [ -0.0000778000000000, -0.0000018700000000, -0.0006917300000000 ]- atom: 57 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0101386200000000, 0.0077814800000000, -0.0087530800000000 ] - [ -0.0075114200000000, -0.0073125600000000, -0.0151523300000000 ] - [ 0.0001106400000000, -0.0007556300000000, 0.0019821100000000 ] - [ 0.0008920500000000, 0.0007330400000000, 0.0016434700000000 ] - [ -0.0142422600000000, -0.0015210000000000, 0.0066102600000000 ] - [ 0.0041538100000000, -0.0009063700000000, -0.0074988500000000 ] - [ 0.0008053500000000, -0.0002704400000000, 0.0029408400000000 ] - [ 0.0017960000000000, -0.0001406800000000, 0.0006340600000000 ] - [ 0.2105854800000000, 0.0076344300000000, -0.0254234000000000 ] - [ -0.0065545800000000, -0.0008820100000000, -0.0041345000000000 ] - [ -0.0012507600000000, 0.0000372400000000, 0.0015268800000000 ] - [ 0.0047172400000000, 0.0001363000000000, 0.0009172700000000 ] - [ 0.0736639200000000, -0.0244500100000000, -0.0770989600000000 ] - [ -0.0034379900000000, -0.0000624700000000, -0.0005236700000000 ] - [ -0.0014172600000000, 0.0000721800000000, 0.0002631700000000 ] - [ 0.0038661600000000, 0.0000801000000000, 0.0015065300000000 ] - [ 0.0478861000000000, 0.0517167200000000, 0.0089307100000000 ] - [ -0.0021048600000000, 0.0011912200000000, -0.0014994000000000 ] - [ -0.0012766000000000, -0.0002973500000000, 0.0004864400000000 ] - [ 0.0014722300000000, -0.0011809600000000, 0.0013670600000000 ] - [ -0.0025904200000000, 0.0000607800000000, -0.0053587600000000 ] - [ 0.0600726200000000, -0.0369408500000000, 0.0539307200000000 ] - [ -0.0016176800000000, 0.0003040100000000, 0.0005200700000000 ] - [ 0.0015381700000000, 0.0012595200000000, 0.0016957200000000 ] - [ 0.0146751600000000, 0.0063341400000000, -0.0077580300000000 ] - [ -0.0012470300000000, -0.0000347900000000, -0.0011005100000000 ] - [ -0.0040237500000000, -0.0000477000000000, 0.0013794000000000 ] - [ 0.0033624600000000, 0.0001280000000000, 0.0027683100000000 ] - [ -0.0044714300000000, -0.0004117400000000, -0.0016296800000000 ] - [ -0.0025731800000000, 0.0001078100000000, -0.0003739900000000 ] - [ -0.0023938900000000, -0.0001061300000000, -0.0002290600000000 ] - [ -0.0002068100000000, 0.0001650500000000, 0.0002187900000000 ] - [ -0.0030241800000000, 0.0003728500000000, 0.0005154900000000 ] - [ -0.0039825100000000, -0.0001716900000000, -0.0002432600000000 ] - [ -0.0023022500000000, 0.0000447800000000, -0.0006488500000000 ] - [ -0.0024729000000000, -0.0004343100000000, -0.0018170700000000 ] - [ -0.0046732000000000, -0.0001854700000000, 0.0027832600000000 ] - [ -0.0030995300000000, 0.0001956100000000, -0.0000661000000000 ] - [ -0.0019549500000000, -0.0001514000000000, -0.0006086900000000 ] - [ -0.0006345700000000, -0.0002975600000000, -0.0022119200000000 ] - [ -0.0012684700000000, -0.0002503800000000, 0.0008619200000000 ] - [ -0.0026183800000000, -0.0001174900000000, -0.0010495800000000 ] - [ -0.0019234200000000, 0.0001319300000000, -0.0009058700000000 ] - [ -0.0025187600000000, -0.0012900700000000, -0.0028945000000000 ] - [ -0.0006201500000000, 0.0004125700000000, 0.0010669700000000 ] - [ -0.0018838900000000, 0.0007449900000000, -0.0003372900000000 ] - [ -0.0015981400000000, -0.0007235100000000, -0.0002898300000000 ] - [ -0.0025393500000000, 0.0011375900000000, -0.0032127000000000 ] - [ 0.0008423300000000, 0.0005011800000000, 0.0024878500000000 ] - [ -0.0044018900000000, 0.0005196700000000, 0.0002595000000000 ] - [ -0.0035208600000000, -0.0005716500000000, -0.0006077700000000 ] - [ -0.0021752700000000, -0.0013416700000000, -0.0018299800000000 ] - [ 0.0566576800000000, -0.0007394900000000, 0.0122178000000000 ] - [ 0.0025766400000000, 0.0039909100000000, 0.0177426500000000 ] - [ 0.0006276000000000, 0.0003677500000000, -0.0034466900000000 ] - [ -0.0042068000000000, -0.0002450400000000, -0.0026197500000000 ] - [ -0.4180695600000000, 0.0011307600000000, 0.0462381600000000 ] - [ 0.0068984600000000, -0.0005221600000000, 0.0016958300000000 ] - [ 0.0020887700000000, 0.0001891400000000, -0.0009175000000000 ] - [ -0.0045544900000000, 0.0006294900000000, -0.0019179400000000 ] - [ -0.0118565400000000, -0.0100045800000000, 0.0216917400000000 ] - [ 0.0035657100000000, 0.0007620200000000, 0.0033722100000000 ] - [ 0.0051015300000000, -0.0002463500000000, -0.0009539200000000 ] - [ -0.0024931100000000, -0.0007887100000000, -0.0034608700000000 ] - [ 0.0071838200000000, 0.0004817700000000, 0.0050788800000000 ] - [ 0.0042846600000000, 0.0003259400000000, 0.0006039400000000 ] - [ 0.0048690000000000, -0.0002890300000000, 0.0005271600000000 ] - [ 0.0003610000000000, -0.0001730000000000, -0.0014305900000000 ] - [ 0.0030608400000000, 0.0000916500000000, 0.0052756100000000 ] - [ 0.0029729500000000, -0.0002184500000000, 0.0010217800000000 ] - [ 0.0046378800000000, 0.0002217600000000, 0.0008364700000000 ] - [ 0.0046959100000000, 0.0001535000000000, -0.0026935700000000 ] - [ -0.0123616900000000, 0.0005838600000000, 0.0021162200000000 ] - [ 0.0070026400000000, 0.0000314000000000, -0.0033253700000000 ] - [ 0.0003443600000000, 0.0001119900000000, 0.0029877400000000 ] - [ -0.0087963800000000, 0.0017622500000000, -0.0165478000000000 ] - [ 0.0089051100000000, 0.0013104800000000, -0.0137239300000000 ] - [ 0.0047909700000000, -0.0000026100000000, 0.0002903200000000 ] - [ 0.0029816600000000, 0.0000755100000000, 0.0005519000000000 ] - [ -0.0028864000000000, -0.0000662600000000, 0.0034091000000000 ] - [ 0.0062638600000000, 0.0001255300000000, -0.0002271900000000 ] - [ 0.0035242600000000, -0.0001033800000000, -0.0001851000000000 ] - [ 0.0033871600000000, 0.0000792500000000, 0.0009343000000000 ] - [ 0.0022739900000000, 0.0000268300000000, 0.0008192600000000 ]- atom: 57 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0104993800000000, -0.0078300600000000, 0.0090170100000000 ] - [ 0.0072429600000000, 0.0073228300000000, 0.0149328400000000 ] - [ -0.0004317100000000, 0.0007851000000000, -0.0022278600000000 ] - [ -0.0005814000000000, -0.0007046400000000, -0.0013909600000000 ] - [ 0.0137929100000000, 0.0016248200000000, -0.0061358100000000 ] - [ -0.0037950100000000, 0.0010229800000000, 0.0070361900000000 ] - [ -0.0004448100000000, 0.0001550100000000, -0.0034181700000000 ] - [ -0.0021799400000000, 0.0000266600000000, -0.0001576800000000 ] - [ -0.2257575500000000, -0.0089004700000000, 0.0281863500000000 ] - [ 0.0065714000000000, 0.0005558200000000, 0.0042394500000000 ] - [ 0.0012453800000000, 0.0002929000000000, -0.0014326700000000 ] - [ -0.0047251700000000, 0.0001932100000000, -0.0010127800000000 ] - [ -0.0744483300000000, 0.0245387400000000, 0.0761748400000000 ] - [ 0.0033538000000000, 0.0003200300000000, 0.0008235800000000 ] - [ 0.0013290000000000, -0.0003293200000000, 0.0000415700000000 ] - [ -0.0037795700000000, -0.0003373800000000, -0.0018005100000000 ] - [ -0.0486336200000000, -0.0514994800000000, -0.0087455200000000 ] - [ 0.0022592700000000, -0.0009594700000000, 0.0012331900000000 ] - [ 0.0014260600000000, 0.0000631700000000, -0.0007543900000000 ] - [ -0.0016207500000000, 0.0009455100000000, -0.0010943400000000 ] - [ 0.0022314700000000, -0.0003773800000000, 0.0050913100000000 ] - [ -0.0601769600000000, 0.0357479400000000, -0.0527479400000000 ] - [ 0.0014699900000000, 0.0002906900000000, -0.0005576200000000 ] - [ -0.0013870200000000, -0.0006637300000000, -0.0016540900000000 ] - [ -0.0148862800000000, -0.0062831000000000, 0.0075401200000000 ] - [ 0.0013906300000000, 0.0001125000000000, 0.0013864800000000 ] - [ 0.0041664600000000, -0.0000296900000000, -0.0010993500000000 ] - [ -0.0034968500000000, -0.0002046500000000, -0.0030522600000000 ] - [ 0.0047382100000000, 0.0003710600000000, 0.0012978600000000 ] - [ 0.0022922800000000, -0.0001426600000000, 0.0006780800000000 ] - [ 0.0021136600000000, 0.0001418200000000, 0.0005293900000000 ] - [ 0.0004909900000000, -0.0001286200000000, -0.0005101200000000 ] - [ 0.0032408600000000, -0.0000253700000000, -0.0006724400000000 ] - [ 0.0037482400000000, 0.0005182400000000, 0.0004041400000000 ] - [ 0.0020784000000000, -0.0003922000000000, 0.0008121400000000 ] - [ 0.0027004200000000, 0.0000876100000000, 0.0016496600000000 ] - [ 0.0040161900000000, 0.0004481600000000, -0.0023341500000000 ] - [ 0.0037269800000000, 0.0000667800000000, -0.0003614200000000 ] - [ 0.0025848500000000, -0.0001112200000000, 0.0001836100000000 ] - [ 0.0000190000000000, 0.0000347100000000, 0.0026343300000000 ] - [ 0.0013186400000000, 0.0006750900000000, -0.0008083200000000 ] - [ 0.0025622800000000, 0.0005466800000000, 0.0010022000000000 ] - [ 0.0018735900000000, -0.0005622500000000, 0.0008651100000000 ] - [ 0.0025775300000000, 0.0008579200000000, 0.0029241600000000 ] - [ 0.0007642200000000, -0.0001843300000000, -0.0013874900000000 ] - [ 0.0017372000000000, -0.0005207600000000, 0.0006665200000000 ] - [ 0.0014534500000000, 0.0005007900000000, 0.0006257100000000 ] - [ 0.0026871300000000, -0.0013615400000000, 0.0028530000000000 ] - [ -0.0012866000000000, -0.0002106300000000, -0.0027592100000000 ] - [ 0.0048534300000000, -0.0002300700000000, 0.0000213100000000 ] - [ 0.0039773200000000, 0.0002828800000000, 0.0008924100000000 ] - [ 0.0020315800000000, 0.0007496500000000, 0.0017957600000000 ] - [ -0.0571002900000000, 0.0008452000000000, -0.0118917700000000 ] - [ -0.0026000600000000, -0.0038573600000000, -0.0179646900000000 ] - [ -0.0006442600000000, -0.0005258900000000, 0.0032766300000000 ] - [ 0.0042466500000000, 0.0000905200000000, 0.0027825000000000 ] - [ 0.4356863600000000, 0.0007495200000000, -0.0497319800000000 ] - [ -0.0070317900000000, 0.0005820600000000, -0.0016266200000000 ] - [ -0.0022003100000000, -0.0002481700000000, 0.0009838700000000 ] - [ 0.0046718400000000, -0.0006875000000000, 0.0018401600000000 ] - [ 0.0121233200000000, 0.0100677000000000, -0.0223696400000000 ] - [ -0.0040047600000000, -0.0007007100000000, -0.0027646000000000 ] - [ -0.0055363200000000, 0.0001827500000000, 0.0015701900000000 ] - [ 0.0029131700000000, 0.0007238900000000, 0.0028379800000000 ] - [ -0.0073940700000000, -0.0004510900000000, -0.0051366800000000 ] - [ -0.0041139700000000, -0.0003065700000000, -0.0004805500000000 ] - [ -0.0046929400000000, 0.0002697500000000, -0.0003946400000000 ] - [ -0.0005396800000000, 0.0001505900000000, 0.0012879600000000 ] - [ -0.0026618400000000, -0.0001194700000000, -0.0053266500000000 ] - [ -0.0033851900000000, 0.0001956400000000, -0.0009501800000000 ] - [ -0.0050409100000000, -0.0001982500000000, -0.0007558900000000 ] - [ -0.0042675400000000, -0.0001272400000000, 0.0025941900000000 ] - [ 0.0124310800000000, -0.0006154000000000, -0.0028791200000000 ] - [ -0.0070522300000000, -0.0000614100000000, 0.0040990400000000 ] - [ -0.0003888400000000, -0.0000807600000000, -0.0022357600000000 ] - [ 0.0088913600000000, -0.0017357100000000, 0.0157935900000000 ] - [ -0.0088563600000000, -0.0014747100000000, 0.0139477300000000 ] - [ -0.0048503600000000, -0.0001749900000000, -0.0006038100000000 ] - [ -0.0030412100000000, 0.0001017500000000, -0.0008694300000000 ] - [ 0.0029298300000000, 0.0002441300000000, -0.0031130200000000 ] - [ -0.0057852200000000, -0.0001442700000000, 0.0002973600000000 ] - [ -0.0039749300000000, 0.0000848800000000, 0.0001158100000000 ] - [ -0.0038427100000000, -0.0000608500000000, -0.0009978600000000 ] - [ -0.0018213500000000, -0.0000083300000000, -0.0007573100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007201600000000, 0.0015815400000000, -0.0008270700000000 ] - [ -0.0008447300000000, -0.0002997300000000, 0.0003427000000000 ] - [ -0.0001819600000000, 0.0001394000000000, -0.0003037200000000 ] - [ 0.0001758800000000, -0.0000956300000000, -0.0001189800000000 ] - [ -0.0004091100000000, -0.0010805600000000, 0.0003836200000000 ] - [ 0.0000820100000000, -0.0001997500000000, 0.0000962100000000 ] - [ 0.0005122400000000, -0.0000763800000000, -0.0003751600000000 ] - [ -0.0004910700000000, -0.0000680800000000, -0.0003075100000000 ] - [ 0.0103250700000000, 0.0250501300000000, -0.0010775000000000 ] - [ -0.0005757800000000, -0.0002305600000000, -0.0000973500000000 ] - [ -0.0001137000000000, 0.0001816700000000, -0.0000194900000000 ] - [ 0.0003986700000000, 0.0001007000000000, -0.0005340400000000 ] - [ -0.0233631100000000, 0.0524799500000000, 0.0691604300000000 ] - [ -0.0002688800000000, 0.0000986000000000, 0.0002134700000000 ] - [ -0.0002049500000000, -0.0001186000000000, 0.0000588700000000 ] - [ 0.0003913400000000, -0.0001295900000000, -0.0003879200000000 ] - [ 0.0472859800000000, 0.1778036600000000, 0.0279669600000000 ] - [ -0.0001091800000000, 0.0001780000000000, -0.0001534500000000 ] - [ -0.0000344400000000, -0.0001591400000000, -0.0001795600000000 ] - [ 0.0003444100000000, -0.0001864100000000, -0.0002587000000000 ] - [ -0.0057541900000000, -0.0054936600000000, -0.0082447300000000 ] - [ -0.0358979200000000, 0.0551606600000000, -0.0692203100000000 ] - [ -0.0001926200000000, 0.0003296700000000, -0.0000690600000000 ] - [ 0.0004414300000000, 0.0003368000000000, -0.0003745800000000 ] - [ 0.0014007300000000, -0.0094014200000000, -0.0086267800000000 ] - [ -0.0001685900000000, 0.0000363700000000, 0.0001050000000000 ] - [ -0.0001201300000000, -0.0000445500000000, 0.0001663700000000 ] - [ 0.0007145000000000, 0.0004307100000000, -0.0004920100000000 ] - [ -0.0018086600000000, -0.0011458000000000, -0.0002039500000000 ] - [ -0.0003082200000000, -0.0000072200000000, 0.0001425900000000 ] - [ -0.0003379500000000, 0.0000070300000000, 0.0000814900000000 ] - [ 0.0001120300000000, -0.0000087200000000, -0.0003482500000000 ] - [ 0.0001029800000000, 0.0001688100000000, 0.0000446500000000 ] - [ -0.0005422800000000, 0.0001325600000000, 0.0001149300000000 ] - [ -0.0002620100000000, -0.0001571200000000, -0.0000199300000000 ] - [ -0.0000395100000000, -0.0002777400000000, -0.0003310900000000 ] - [ 0.0001569100000000, -0.0000281600000000, 0.0003015600000000 ] - [ 0.0000254100000000, 0.0001345600000000, -0.0001699000000000 ] - [ 0.0001226400000000, -0.0001309500000000, -0.0002807400000000 ] - [ 0.0000000000000000, -0.0002349700000000, 0.0001560100000000 ] - [ 0.0000425100000000, 0.0002280700000000, 0.0000773000000000 ] - [ -0.0002452000000000, 0.0001785400000000, -0.0001120100000000 ] - [ -0.0001645700000000, -0.0001802100000000, -0.0000933600000000 ] - [ -0.0010248500000000, -0.0006427500000000, -0.0005932600000000 ] - [ 0.0001522400000000, 0.0001135300000000, -0.0001508800000000 ] - [ -0.0002296900000000, 0.0001660700000000, 0.0001123300000000 ] - [ -0.0001934100000000, -0.0001621600000000, 0.0001267200000000 ] - [ 0.0001825300000000, 0.0006310100000000, -0.0003660700000000 ] - [ 0.0004278300000000, 0.0003882500000000, 0.0005940200000000 ] - [ -0.0001144900000000, 0.0001752000000000, 0.0001302500000000 ] - [ -0.0001116100000000, -0.0001802700000000, 0.0001020900000000 ] - [ -0.0002571600000000, -0.0003517100000000, -0.0000762600000000 ] - [ 0.0015151100000000, 0.0014168200000000, 0.0004720300000000 ] - [ 0.0000550800000000, 0.0009477800000000, -0.0000796300000000 ] - [ -0.0000227700000000, -0.0002176400000000, 0.0003159100000000 ] - [ -0.0001366200000000, 0.0000686900000000, 0.0006033300000000 ] - [ -0.0033395700000000, -0.3809329900000000, -0.0312671800000000 ] - [ 0.0004948800000000, 0.0000083700000000, -0.0000178200000000 ] - [ 0.0001592700000000, -0.0000006100000000, 0.0001253900000000 ] - [ -0.0006019600000000, 0.0001554000000000, 0.0006728200000000 ] - [ 0.0024237600000000, 0.0773053200000000, 0.0252044300000000 ] - [ 0.0001747800000000, 0.0000772900000000, 0.0004063400000000 ] - [ 0.0001270600000000, -0.0000630500000000, 0.0003655100000000 ] - [ -0.0012559100000000, -0.0003643700000000, 0.0003555400000000 ] - [ 0.0039031100000000, -0.0006173900000000, 0.0009006500000000 ] - [ 0.0004259100000000, 0.0000378900000000, 0.0000846000000000 ] - [ 0.0004746900000000, -0.0000375200000000, 0.0001370200000000 ] - [ -0.0003052400000000, 0.0000422000000000, -0.0000367800000000 ] - [ -0.0000386700000000, 0.0005724900000000, 0.0004850900000000 ] - [ 0.0000312500000000, -0.0000371700000000, 0.0001412300000000 ] - [ 0.0002430400000000, 0.0000373800000000, 0.0001099200000000 ] - [ 0.0002720300000000, -0.0000324500000000, -0.0001809500000000 ] - [ 0.0016559100000000, -0.0007578200000000, 0.0020604800000000 ] - [ 0.0001913100000000, 0.0000082400000000, 0.0002319300000000 ] - [ 0.0003417900000000, 0.0000091400000000, 0.0005567800000000 ] - [ 0.0010598000000000, -0.0009445600000000, -0.0019938400000000 ] - [ 0.0024425300000000, 0.0082235600000000, -0.0065431900000000 ] - [ 0.0003055100000000, -0.0000857000000000, -0.0001840700000000 ] - [ 0.0002712700000000, 0.0000864300000000, -0.0000417800000000 ] - [ -0.0002219200000000, -0.0001144100000000, 0.0010622400000000 ] - [ 0.0005866400000000, 0.0000838900000000, -0.0002106100000000 ] - [ 0.0000113200000000, -0.0000157500000000, -0.0001326200000000 ] - [ 0.0001417600000000, 0.0000004700000000, 0.0001457700000000 ] - [ 0.0003076000000000, 0.0000004300000000, 0.0001875200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010275000000000, -0.0015775400000000, 0.0010641900000000 ] - [ 0.0005071100000000, 0.0002428000000000, -0.0006267100000000 ] - [ -0.0001340100000000, -0.0001105000000000, 0.0000562700000000 ] - [ 0.0001405500000000, 0.0001246200000000, 0.0003689300000000 ] - [ -0.0000107800000000, 0.0011831000000000, 0.0001058300000000 ] - [ 0.0002997800000000, 0.0003134500000000, -0.0005726400000000 ] - [ -0.0001359300000000, -0.0000391000000000, -0.0000997500000000 ] - [ 0.0001178600000000, -0.0000469100000000, 0.0007811400000000 ] - [ -0.0089403800000000, -0.0251013900000000, 0.0008553200000000 ] - [ 0.0005779300000000, -0.0001017400000000, 0.0001886700000000 ] - [ 0.0001212600000000, 0.0001472700000000, 0.0001168600000000 ] - [ -0.0004000300000000, 0.0002277200000000, 0.0004360400000000 ] - [ 0.0234757300000000, -0.0512027800000000, -0.0693400300000000 ] - [ 0.0001800800000000, 0.0001568700000000, 0.0000934200000000 ] - [ 0.0001181800000000, -0.0001363100000000, 0.0002503700000000 ] - [ -0.0003003600000000, -0.0001262700000000, 0.0000801800000000 ] - [ -0.0433989100000000, -0.1648232000000000, -0.0247849100000000 ] - [ 0.0002600900000000, 0.0000559000000000, -0.0001173500000000 ] - [ 0.0001858900000000, -0.0000739900000000, -0.0000887600000000 ] - [ -0.0004946300000000, -0.0000485400000000, 0.0005282300000000 ] - [ 0.0052839700000000, 0.0051217900000000, 0.0079288000000000 ] - [ 0.0373425000000000, -0.0562156500000000, 0.0719778100000000 ] - [ 0.0000455700000000, 0.0002635200000000, 0.0000332700000000 ] - [ -0.0002933700000000, 0.0002589700000000, 0.0004109800000000 ] - [ -0.0015520500000000, 0.0094014500000000, 0.0082611100000000 ] - [ 0.0003130300000000, 0.0000413600000000, 0.0001772600000000 ] - [ 0.0002608700000000, -0.0000332500000000, 0.0001185700000000 ] - [ -0.0008566700000000, -0.0005014400000000, 0.0002167300000000 ] - [ 0.0020719700000000, 0.0011065200000000, -0.0001059900000000 ] - [ 0.0000275800000000, -0.0000277400000000, 0.0001581100000000 ] - [ 0.0000575300000000, 0.0000281000000000, 0.0002197700000000 ] - [ 0.0001637800000000, 0.0000439400000000, 0.0000468700000000 ] - [ 0.0001155400000000, 0.0001803300000000, -0.0002097200000000 ] - [ 0.0003160400000000, 0.0002161200000000, 0.0000500900000000 ] - [ 0.0000386500000000, -0.0001915600000000, 0.0001849600000000 ] - [ 0.0002585600000000, -0.0000724300000000, 0.0001641500000000 ] - [ -0.0007898400000000, 0.0002890100000000, 0.0001272700000000 ] - [ 0.0006031700000000, 0.0001279100000000, -0.0002583500000000 ] - [ 0.0005071500000000, -0.0001314800000000, -0.0001470700000000 ] - [ -0.0006313700000000, -0.0000283000000000, 0.0002729000000000 ] - [ 0.0000039000000000, 0.0002004700000000, -0.0000353000000000 ] - [ 0.0001934700000000, 0.0002497000000000, 0.0000693100000000 ] - [ 0.0001145800000000, -0.0002479200000000, 0.0000515800000000 ] - [ 0.0010653300000000, 0.0002111900000000, 0.0006285900000000 ] - [ -0.0000084400000000, 0.0001058700000000, -0.0001789500000000 ] - [ 0.0000827800000000, 0.0000542400000000, 0.0002171000000000 ] - [ 0.0000472100000000, -0.0000580400000000, 0.0002037400000000 ] - [ -0.0000346600000000, -0.0008470100000000, 0.0000324800000000 ] - [ -0.0008841500000000, -0.0000986300000000, -0.0008750400000000 ] - [ 0.0005663500000000, 0.0001134400000000, 0.0001597900000000 ] - [ 0.0005650900000000, -0.0001082200000000, 0.0001872200000000 ] - [ 0.0001093800000000, -0.0002423900000000, 0.0000377200000000 ] - [ -0.0014390300000000, -0.0012615800000000, -0.0003026300000000 ] - [ -0.0001042700000000, -0.0007724800000000, -0.0000762400000000 ] - [ -0.0000121500000000, 0.0000589100000000, -0.0004817100000000 ] - [ 0.0001662000000000, -0.0002247000000000, -0.0004392800000000 ] - [ -0.0036666700000000, 0.3670511300000000, 0.0252389700000000 ] - [ -0.0006093600000000, 0.0000519200000000, 0.0000824000000000 ] - [ -0.0002781200000000, -0.0000603500000000, -0.0000650600000000 ] - [ 0.0007150100000000, -0.0002135600000000, -0.0007331700000000 ] - [ -0.0016890900000000, -0.0767485700000000, -0.0252400500000000 ] - [ -0.0006172200000000, -0.0000148900000000, 0.0002094900000000 ] - [ -0.0005671500000000, 0.0000009700000000, 0.0002460000000000 ] - [ 0.0016965200000000, 0.0002976600000000, -0.0009694800000000 ] - [ -0.0040544600000000, 0.0006260300000000, -0.0010150400000000 ] - [ -0.0002522600000000, -0.0000191400000000, 0.0000391500000000 ] - [ -0.0002996200000000, 0.0000188000000000, -0.0000125500000000 ] - [ 0.0001382800000000, -0.0000596300000000, -0.0000882100000000 ] - [ 0.0004550000000000, -0.0005908600000000, -0.0005573400000000 ] - [ -0.0004453500000000, 0.0000134100000000, -0.0000647300000000 ] - [ -0.0006544900000000, -0.0000132400000000, -0.0000327500000000 ] - [ 0.0001508400000000, 0.0000553500000000, 0.0001016800000000 ] - [ -0.0016094200000000, 0.0007367000000000, -0.0028115800000000 ] - [ -0.0002374900000000, -0.0000394700000000, 0.0005262500000000 ] - [ -0.0003934500000000, 0.0000227500000000, 0.0002055000000000 ] - [ -0.0010081400000000, 0.0009857800000000, 0.0011961500000000 ] - [ -0.0022451300000000, -0.0083970000000000, 0.0067554200000000 ] - [ -0.0003641100000000, -0.0000933100000000, -0.0001306100000000 ] - [ -0.0003321000000000, 0.0000926300000000, -0.0002732100000000 ] - [ 0.0002892300000000, 0.0002917900000000, -0.0007396200000000 ] - [ -0.0001237900000000, -0.0001002300000000, 0.0002756200000000 ] - [ -0.0004660600000000, -0.0000017800000000, 0.0000676600000000 ] - [ -0.0005966300000000, 0.0000168300000000, -0.0002094200000000 ] - [ 0.0001540700000000, 0.0000167900000000, -0.0001226800000000 ]- atom: 57 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0028877500000000, -0.0044101200000000, 0.0066902200000000 ] - [ 0.0001078300000000, 0.0033404300000000, 0.0098121400000000 ] - [ 0.0009715000000000, 0.0010381800000000, -0.0042493100000000 ] - [ 0.0003920000000000, -0.0011619700000000, -0.0031311300000000 ] - [ 0.0032773200000000, -0.0001176600000000, 0.0016363200000000 ] - [ -0.0060669100000000, 0.0009802800000000, 0.0017325100000000 ] - [ 0.0040414800000000, 0.0004762800000000, -0.0029801500000000 ] - [ -0.0017312100000000, -0.0002335400000000, -0.0036431700000000 ] - [ -0.0641487500000000, -0.0032038900000000, 0.0439044100000000 ] - [ -0.0014900500000000, -0.0000032500000000, 0.0017823800000000 ] - [ 0.0018554500000000, 0.0002483700000000, -0.0009983800000000 ] - [ -0.0000871000000000, 0.0000733800000000, -0.0046260200000000 ] - [ -0.0876429400000000, 0.0673551500000000, 0.2837890200000000 ] - [ 0.0002363000000000, 0.0000550600000000, 0.0012493700000000 ] - [ 0.0000214200000000, -0.0002212600000000, -0.0008936100000000 ] - [ 0.0007153500000000, 0.0005224500000000, -0.0073958200000000 ] - [ -0.0000814300000000, 0.0376197200000000, 0.0551322700000000 ] - [ -0.0000653300000000, 0.0000360600000000, 0.0003083100000000 ] - [ 0.0004724200000000, -0.0001157100000000, -0.0005390300000000 ] - [ 0.0012645900000000, 0.0015366800000000, -0.0062884600000000 ] - [ -0.0124657800000000, 0.0049508800000000, -0.0032657500000000 ] - [ 0.0506947100000000, -0.0682538900000000, 0.1461675400000000 ] - [ 0.0003408100000000, 0.0003176000000000, -0.0003317700000000 ] - [ 0.0008605600000000, -0.0016388800000000, -0.0058703700000000 ] - [ 0.0020066300000000, 0.0027073000000000, -0.0088624400000000 ] - [ -0.0005627700000000, 0.0000439200000000, 0.0002042200000000 ] - [ 0.0011764500000000, -0.0000359700000000, 0.0000434300000000 ] - [ 0.0022648700000000, -0.0000027800000000, -0.0082621900000000 ] - [ -0.0013861000000000, -0.0002304800000000, 0.0082950300000000 ] - [ 0.0004786200000000, -0.0000892400000000, 0.0000920100000000 ] - [ -0.0003561700000000, -0.0000364100000000, 0.0002653700000000 ] - [ 0.0005366500000000, -0.0003944100000000, -0.0045111700000000 ] - [ 0.0032503700000000, -0.0001033300000000, 0.0004692900000000 ] - [ 0.0002834000000000, 0.0002325000000000, 0.0009662300000000 ] - [ -0.0000872100000000, -0.0001508900000000, -0.0006487300000000 ] - [ -0.0015058100000000, -0.0003714400000000, -0.0013253100000000 ] - [ 0.0078811100000000, 0.0002090300000000, -0.0010452600000000 ] - [ 0.0007333100000000, 0.0001489500000000, 0.0002882700000000 ] - [ 0.0003192700000000, -0.0001025900000000, -0.0007046400000000 ] - [ -0.0025381600000000, -0.0001422800000000, -0.0020749300000000 ] - [ 0.0019946500000000, 0.0007620100000000, -0.0017416500000000 ] - [ 0.0003442400000000, 0.0004035600000000, 0.0005890900000000 ] - [ -0.0000289800000000, -0.0000679700000000, -0.0004725100000000 ] - [ -0.0028676500000000, -0.0006598000000000, 0.0001935600000000 ] - [ 0.0017460700000000, -0.0002226100000000, -0.0026586200000000 ] - [ 0.0000448800000000, -0.0000620600000000, 0.0007629500000000 ] - [ 0.0000577900000000, -0.0001923000000000, -0.0003642500000000 ] - [ -0.0037014200000000, 0.0002423000000000, 0.0007640800000000 ] - [ 0.0034961300000000, 0.0002546600000000, -0.0039668800000000 ] - [ 0.0009093800000000, 0.0000865200000000, 0.0003364500000000 ] - [ 0.0002088500000000, -0.0001427000000000, -0.0000132300000000 ] - [ -0.0002022800000000, -0.0001990400000000, 0.0003702900000000 ] - [ -0.0107549800000000, 0.0007990600000000, -0.0100485600000000 ] - [ 0.0060129700000000, -0.0006859600000000, -0.0093700000000000 ] - [ -0.0030955400000000, -0.0004474300000000, 0.0054396100000000 ] - [ 0.0008545600000000, 0.0003016000000000, 0.0066391800000000 ] - [ 0.1073081900000000, -0.0224564900000000, -0.5498503900000000 ] - [ 0.0005333000000000, 0.0001635600000000, -0.0011392900000000 ] - [ -0.0013291900000000, 0.0000302300000000, 0.0011607000000000 ] - [ -0.0011039000000000, -0.0008269100000000, 0.0104197200000000 ] - [ 0.0123319300000000, -0.0196231700000000, 0.0139944600000000 ] - [ 0.0001519400000000, 0.0000020200000000, -0.0001966900000000 ] - [ -0.0013111100000000, 0.0000070900000000, 0.0007114500000000 ] - [ -0.0049391400000000, 0.0005978600000000, 0.0103150900000000 ] - [ 0.0136416200000000, 0.0003407400000000, -0.0068663500000000 ] - [ -0.0001707900000000, -0.0000233100000000, 0.0006318100000000 ] - [ -0.0003523500000000, -0.0000137400000000, -0.0005467800000000 ] - [ -0.0042553300000000, 0.0002061200000000, 0.0051268800000000 ] - [ 0.0039558500000000, 0.0000963900000000, 0.0020017500000000 ] - [ -0.0002332800000000, -0.0000749200000000, 0.0009331700000000 ] - [ -0.0007795000000000, -0.0000701700000000, -0.0009902900000000 ] - [ -0.0058080400000000, -0.0000312600000000, 0.0035871400000000 ] - [ 0.0129085000000000, 0.0005386500000000, 0.0165559000000000 ] - [ -0.0026839900000000, -0.0000653900000000, -0.0004255200000000 ] - [ 0.0018853200000000, -0.0000456700000000, 0.0018058800000000 ] - [ -0.0124659500000000, -0.0005992200000000, 0.0111576000000000 ] - [ -0.0188523900000000, 0.0005055400000000, -0.0036801100000000 ] - [ -0.0007552200000000, -0.0000961500000000, -0.0008884400000000 ] - [ 0.0000780500000000, 0.0000901000000000, 0.0004678500000000 ] - [ 0.0018166400000000, 0.0001238400000000, 0.0095592300000000 ] - [ -0.0004193300000000, 0.0000899600000000, -0.0044278100000000 ] - [ -0.0019244900000000, 0.0000106800000000, -0.0004231600000000 ] - [ 0.0009397700000000, 0.0000120600000000, 0.0004442600000000 ] - [ -0.0000402600000000, 0.0000695000000000, 0.0029217000000000 ]- atom: 57 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0026009000000000, 0.0043984000000000, -0.0064566500000000 ] - [ -0.0004286900000000, -0.0033699600000000, -0.0100940300000000 ] - [ -0.0012775000000000, -0.0010104400000000, 0.0039875600000000 ] - [ -0.0000731800000000, 0.0011884900000000, 0.0033755600000000 ] - [ -0.0036825100000000, 0.0002281100000000, -0.0011195200000000 ] - [ 0.0064551100000000, -0.0008709300000000, -0.0022217800000000 ] - [ -0.0036437700000000, -0.0005872500000000, 0.0024964400000000 ] - [ 0.0013588500000000, 0.0001194600000000, 0.0041170400000000 ] - [ 0.0638446600000000, 0.0028056800000000, -0.0445656300000000 ] - [ 0.0014940300000000, -0.0003258100000000, -0.0016946600000000 ] - [ -0.0018325100000000, 0.0000807300000000, 0.0010942200000000 ] - [ 0.0000811800000000, 0.0002566500000000, 0.0045258300000000 ] - [ 0.0940991200000000, -0.0728170800000000, -0.3011577200000000 ] - [ -0.0003210700000000, 0.0002020700000000, -0.0009413700000000 ] - [ -0.0001026300000000, -0.0000355800000000, 0.0011999000000000 ] - [ -0.0006344700000000, -0.0007785600000000, 0.0070609100000000 ] - [ -0.0002484300000000, -0.0382861400000000, -0.0555847600000000 ] - [ 0.0002183400000000, 0.0001967000000000, -0.0005773600000000 ] - [ -0.0003164100000000, -0.0001153600000000, 0.0002731000000000 ] - [ -0.0014203500000000, -0.0017644400000000, 0.0065419300000000 ] - [ 0.0120177500000000, -0.0052827200000000, 0.0030544400000000 ] - [ -0.0471938900000000, 0.0635324200000000, -0.1409564500000000 ] - [ -0.0004827800000000, 0.0002733800000000, 0.0002979000000000 ] - [ -0.0007182600000000, 0.0022263500000000, 0.0058941800000000 ] - [ -0.0021999700000000, -0.0026704000000000, 0.0085987800000000 ] - [ 0.0007152500000000, 0.0000331600000000, 0.0000741300000000 ] - [ -0.0010252500000000, -0.0000411100000000, 0.0002394500000000 ] - [ -0.0024308300000000, -0.0000830500000000, 0.0079856000000000 ] - [ 0.0016753100000000, 0.0001978500000000, -0.0085918100000000 ] - [ -0.0007542000000000, 0.0000543400000000, 0.0002090100000000 ] - [ 0.0000802200000000, 0.0000713100000000, 0.0000384200000000 ] - [ -0.0002631400000000, 0.0004281900000000, 0.0041975300000000 ] - [ -0.0030224100000000, 0.0004510300000000, -0.0006360500000000 ] - [ -0.0005001600000000, 0.0001159900000000, -0.0008014000000000 ] - [ -0.0001358500000000, -0.0001968500000000, 0.0008126000000000 ] - [ 0.0017267900000000, 0.0000232400000000, 0.0011650100000000 ] - [ -0.0085131600000000, 0.0000494800000000, 0.0014704700000000 ] - [ -0.0000958600000000, 0.0001135400000000, -0.0007151500000000 ] - [ 0.0003166100000000, -0.0001598800000000, 0.0002776600000000 ] - [ 0.0018896700000000, -0.0001195200000000, 0.0025059700000000 ] - [ -0.0019462200000000, -0.0003303800000000, 0.0017754400000000 ] - [ -0.0003884700000000, 0.0000276200000000, -0.0006267800000000 ] - [ -0.0000172500000000, -0.0003618200000000, 0.0004315600000000 ] - [ 0.0029144500000000, 0.0002332800000000, -0.0001436600000000 ] - [ -0.0016025300000000, 0.0004419400000000, 0.0023181000000000 ] - [ -0.0001861000000000, 0.0002820700000000, -0.0004284400000000 ] - [ -0.0001998000000000, -0.0000288800000000, 0.0006958100000000 ] - [ 0.0038458100000000, -0.0004702300000000, -0.0010864400000000 ] - [ -0.0039634700000000, 0.0000317000000000, 0.0036694800000000 ] - [ -0.0004450000000000, 0.0002018400000000, -0.0000507800000000 ] - [ 0.0002538700000000, -0.0001459000000000, 0.0002960800000000 ] - [ 0.0000571400000000, -0.0003937900000000, -0.0004082100000000 ] - [ 0.0107773900000000, -0.0006377800000000, 0.0101982000000000 ] - [ -0.0060426000000000, 0.0008407100000000, 0.0092387400000000 ] - [ 0.0030409600000000, 0.0002916100000000, -0.0055938900000000 ] - [ -0.0008250600000000, -0.0004613100000000, -0.0064599300000000 ] - [ -0.1165415100000000, 0.0334850900000000, 0.5629080700000000 ] - [ -0.0006546700000000, -0.0001027800000000, 0.0012047600000000 ] - [ 0.0011932700000000, -0.0000914000000000, -0.0010977000000000 ] - [ 0.0012285200000000, 0.0007627600000000, -0.0104559100000000 ] - [ -0.0116509600000000, 0.0196185600000000, -0.0146527000000000 ] - [ -0.0006017300000000, 0.0000607400000000, 0.0008123300000000 ] - [ 0.0008598000000000, -0.0000691400000000, -0.0001034400000000 ] - [ 0.0054035900000000, -0.0006617100000000, -0.0109082600000000 ] - [ -0.0138111900000000, -0.0003241000000000, 0.0067138000000000 ] - [ 0.0003325000000000, 0.0000413000000000, -0.0005050000000000 ] - [ 0.0005119600000000, -0.0000042100000000, 0.0006687900000000 ] - [ 0.0040904900000000, -0.0002228900000000, -0.0052369900000000 ] - [ -0.0035335700000000, -0.0001207100000000, -0.0020940300000000 ] - [ -0.0001815200000000, 0.0000511800000000, -0.0008559900000000 ] - [ 0.0003604200000000, 0.0000937300000000, 0.0010625900000000 ] - [ 0.0062160500000000, 0.0000546600000000, -0.0036550900000000 ] - [ -0.0128692400000000, -0.0005934600000000, -0.0173779500000000 ] - [ 0.0026277400000000, 0.0000337200000000, 0.0011728300000000 ] - [ -0.0019448700000000, 0.0000771800000000, -0.0010410100000000 ] - [ 0.0124108200000000, 0.0006119400000000, -0.0118343500000000 ] - [ 0.0189851900000000, -0.0006319300000000, 0.0040237300000000 ] - [ 0.0006852400000000, -0.0000820100000000, 0.0005711200000000 ] - [ -0.0001494300000000, 0.0000881200000000, -0.0007836200000000 ] - [ -0.0017213200000000, 0.0000558300000000, -0.0092256000000000 ] - [ 0.0008614500000000, -0.0001082300000000, 0.0044921600000000 ] - [ 0.0014633300000000, -0.0000286900000000, 0.0003581700000000 ] - [ -0.0013976500000000, 0.0000059500000000, -0.0005137000000000 ] - [ 0.0004994800000000, -0.0000517200000000, -0.0028515800000000 ]- atom: 61 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0015690600000000, 0.0010242400000000, -0.0029577500000000 ] - [ -0.0009655500000000, -0.0011810200000000, -0.0031669100000000 ] - [ -0.0020262100000000, -0.0006312800000000, 0.0032663200000000 ] - [ -0.0009151100000000, 0.0005696400000000, 0.0025922900000000 ] - [ -0.0034550300000000, 0.0001572600000000, -0.0020180900000000 ] - [ 0.0003461900000000, -0.0000813100000000, -0.0018455000000000 ] - [ -0.0062952500000000, -0.0006349800000000, 0.0027986600000000 ] - [ -0.0009830600000000, 0.0000826500000000, 0.0016030700000000 ] - [ 0.0055847400000000, 0.0006786700000000, -0.0052293400000000 ] - [ -0.0034355300000000, -0.0001703500000000, -0.0010446200000000 ] - [ -0.0059230600000000, 0.0000248900000000, 0.0006581000000000 ] - [ 0.0017850900000000, -0.0000202000000000, 0.0015566400000000 ] - [ 0.0039979200000000, -0.0016594500000000, -0.0030057500000000 ] - [ -0.0024611000000000, -0.0000355000000000, -0.0007062300000000 ] - [ -0.0024457700000000, 0.0001379000000000, 0.0004542000000000 ] - [ 0.0049983700000000, 0.0006282500000000, 0.0064062700000000 ] - [ 0.0362472400000000, 0.0059513200000000, 0.0060092000000000 ] - [ -0.0014378000000000, 0.0007787100000000, -0.0007332600000000 ] - [ -0.0020003700000000, -0.0008039700000000, -0.0002985700000000 ] - [ 0.0024456500000000, -0.0019527600000000, 0.0018191100000000 ] - [ 0.1892241200000000, -0.0394457100000000, 0.0694266100000000 ] - [ 0.0385154600000000, 0.0107607100000000, -0.0054756300000000 ] - [ -0.0021889700000000, 0.0008166500000000, -0.0004842600000000 ] - [ 0.0018937000000000, 0.0013134200000000, 0.0025187300000000 ] - [ 0.1894449800000000, 0.0387686500000000, -0.1326278400000000 ] - [ -0.0019020200000000, -0.0000167700000000, -0.0001087200000000 ] - [ -0.0032158900000000, -0.0000117700000000, 0.0002482900000000 ] - [ 0.0024141300000000, 0.0002009800000000, 0.0007099400000000 ] - [ -0.0097790400000000, -0.0004443100000000, 0.0129966500000000 ] - [ -0.0019188400000000, 0.0000513500000000, -0.0002745700000000 ] - [ -0.0029980900000000, -0.0001752500000000, -0.0003069200000000 ] - [ 0.0023441400000000, 0.0000223600000000, -0.0000621700000000 ] - [ -0.0003701100000000, 0.0000483400000000, 0.0019034100000000 ] - [ -0.0044021700000000, -0.0001807900000000, 0.0006508400000000 ] - [ -0.0016890100000000, 0.0000195900000000, -0.0014940100000000 ] - [ -0.0035160600000000, -0.0009626300000000, -0.0046087900000000 ] - [ 0.0011668600000000, 0.0002335700000000, 0.0027073300000000 ] - [ -0.0029516600000000, 0.0002014100000000, 0.0003329600000000 ] - [ -0.0020400700000000, -0.0001368300000000, -0.0010822200000000 ] - [ 0.0020373700000000, -0.0013821000000000, -0.0080372200000000 ] - [ 0.0008591700000000, -0.0003383600000000, 0.0009099700000000 ] - [ -0.0027568000000000, -0.0000673900000000, -0.0008047200000000 ] - [ -0.0016457400000000, 0.0001895700000000, -0.0010295800000000 ] - [ -0.0103778300000000, -0.0037348900000000, -0.0061424900000000 ] - [ 0.0011922300000000, 0.0008255900000000, 0.0003670400000000 ] - [ -0.0021188200000000, 0.0007493300000000, -0.0000705500000000 ] - [ -0.0013444700000000, -0.0007139400000000, -0.0004932800000000 ] - [ -0.0093637100000000, 0.0059351700000000, -0.0028784700000000 ] - [ 0.0040571000000000, 0.0006110500000000, 0.0008559200000000 ] - [ -0.0046788300000000, 0.0006162600000000, -0.0000524200000000 ] - [ -0.0031497300000000, -0.0004802500000000, -0.0003040800000000 ] - [ -0.0015764300000000, -0.0008434100000000, -0.0008729200000000 ] - [ 0.0052699000000000, -0.0000010800000000, 0.0058493200000000 ] - [ 0.0024612300000000, 0.0003547100000000, 0.0048662500000000 ] - [ 0.0069371000000000, 0.0003064800000000, -0.0048210000000000 ] - [ -0.0002904800000000, 0.0000459300000000, -0.0041745500000000 ] - [ -0.0118180100000000, 0.0020797700000000, 0.0102769200000000 ] - [ 0.0037254100000000, -0.0003660900000000, 0.0009891500000000 ] - [ 0.0052596400000000, 0.0003177500000000, -0.0002516900000000 ] - [ -0.0026326300000000, 0.0014451700000000, -0.0056835900000000 ] - [ -0.4778534400000000, -0.0089531900000000, 0.0571138900000000 ] - [ 0.0034419400000000, 0.0004895000000000, 0.0015452300000000 ] - [ 0.0051800500000000, -0.0005429100000000, 0.0009112500000000 ] - [ -0.0045633800000000, -0.0010451800000000, -0.0030256000000000 ] - [ 0.0545450800000000, -0.0082443100000000, -0.0046069800000000 ] - [ 0.0036069600000000, 0.0002997600000000, 0.0007145200000000 ] - [ 0.0054734500000000, -0.0003590100000000, 0.0003700400000000 ] - [ -0.0039979700000000, -0.0004427000000000, 0.0000499600000000 ] - [ 0.0053599300000000, 0.0028547700000000, 0.0139423300000000 ] - [ 0.0025803000000000, -0.0002662100000000, 0.0014413600000000 ] - [ 0.0048299400000000, 0.0001924900000000, 0.0003272600000000 ] - [ -0.0003676100000000, 0.0004332200000000, -0.0020404200000000 ] - [ -0.0021805500000000, -0.0000811200000000, 0.0002396500000000 ] - [ 0.0056573400000000, 0.0000223000000000, 0.0017224900000000 ] - [ 0.0024696400000000, 0.0000481000000000, 0.0004842500000000 ] - [ 0.0138914900000000, -0.0033732500000000, -0.0087086500000000 ] - [ -0.0080880500000000, -0.0004310000000000, -0.0079081700000000 ] - [ 0.0039358800000000, -0.0000381000000000, 0.0002771400000000 ] - [ 0.0037483200000000, 0.0000382800000000, 0.0005494300000000 ] - [ -0.0207565100000000, -0.0007011000000000, 0.0072553800000000 ] - [ 0.0060953000000000, 0.0004643100000000, -0.0050782700000000 ] - [ 0.0019410500000000, -0.0000931700000000, -0.0010387600000000 ] - [ 0.0052446800000000, 0.0000422100000000, 0.0022130700000000 ] - [ 0.0002367400000000, 0.0002113700000000, 0.0036241500000000 ]- atom: 61 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0018921100000000, -0.0010543600000000, 0.0032282300000000 ] - [ 0.0006489800000000, 0.0011575500000000, 0.0029323300000000 ] - [ 0.0017082000000000, 0.0006639300000000, -0.0035273100000000 ] - [ 0.0012253100000000, -0.0005452100000000, -0.0023504500000000 ] - [ 0.0030884300000000, -0.0000456800000000, 0.0024989300000000 ] - [ 0.0000163500000000, 0.0001967800000000, 0.0013763600000000 ] - [ 0.0066790500000000, 0.0005227800000000, -0.0033034400000000 ] - [ 0.0005993800000000, -0.0001962600000000, -0.0011258600000000 ] - [ -0.0056835600000000, -0.0010246500000000, 0.0051710800000000 ] - [ 0.0034430700000000, -0.0001600600000000, 0.0011455100000000 ] - [ 0.0059303500000000, 0.0003056800000000, -0.0005682000000000 ] - [ -0.0018166200000000, 0.0003498500000000, -0.0016502400000000 ] - [ -0.0039255600000000, 0.0018911100000000, 0.0026187200000000 ] - [ 0.0023766900000000, 0.0002926500000000, 0.0010143800000000 ] - [ 0.0023596300000000, -0.0003950300000000, -0.0001503700000000 ] - [ -0.0049314500000000, -0.0008866300000000, -0.0067040100000000 ] - [ -0.0362529400000000, -0.0050514800000000, -0.0046873200000000 ] - [ 0.0015912500000000, -0.0005472200000000, 0.0004685000000000 ] - [ 0.0021531500000000, 0.0005703500000000, 0.0000287300000000 ] - [ -0.0026042800000000, 0.0017188800000000, -0.0015377800000000 ] - [ -0.1795144300000000, 0.0361874200000000, -0.0640384900000000 ] - [ -0.0384993600000000, -0.0126961000000000, 0.0060949400000000 ] - [ 0.0020439500000000, -0.0002229300000000, 0.0004451200000000 ] - [ -0.0017501000000000, -0.0007189500000000, -0.0024727700000000 ] - [ -0.1955646300000000, -0.0409396000000000, 0.1402806500000000 ] - [ 0.0020499500000000, 0.0000937200000000, 0.0003906800000000 ] - [ 0.0033686400000000, -0.0000648900000000, 0.0000297000000000 ] - [ -0.0025671700000000, -0.0002771100000000, -0.0009872300000000 ] - [ 0.0099703400000000, 0.0004275800000000, -0.0132743100000000 ] - [ 0.0016412000000000, -0.0000858500000000, 0.0005810300000000 ] - [ 0.0027202500000000, 0.0002106900000000, 0.0006065400000000 ] - [ -0.0020487200000000, 0.0000137800000000, -0.0002192800000000 ] - [ 0.0005994200000000, 0.0002979600000000, -0.0020545800000000 ] - [ 0.0041632900000000, 0.0005272400000000, -0.0004853800000000 ] - [ 0.0014732000000000, -0.0003677700000000, 0.0016565500000000 ] - [ 0.0037456500000000, 0.0006158400000000, 0.0044354800000000 ] - [ -0.0017884400000000, 0.0000296600000000, -0.0022661500000000 ] - [ 0.0035804600000000, 0.0000608300000000, -0.0007580100000000 ] - [ 0.0026756200000000, -0.0001256200000000, 0.0006549900000000 ] - [ -0.0026437000000000, 0.0011102600000000, 0.0084430900000000 ] - [ -0.0008038200000000, 0.0007632700000000, -0.0008559000000000 ] - [ 0.0027043200000000, 0.0004962200000000, 0.0007590600000000 ] - [ 0.0016015400000000, -0.0006197400000000, 0.0009912400000000 ] - [ 0.0104627500000000, 0.0033220200000000, 0.0061516900000000 ] - [ -0.0010437100000000, -0.0005973900000000, -0.0006880200000000 ] - [ 0.0019739900000000, -0.0005267100000000, 0.0003982700000000 ] - [ 0.0012025900000000, 0.0004927300000000, 0.0008286300000000 ] - [ 0.0095199100000000, -0.0061649300000000, 0.0024904400000000 ] - [ -0.0045083400000000, -0.0003220200000000, -0.0011334200000000 ] - [ 0.0051383900000000, -0.0003274500000000, 0.0003339100000000 ] - [ 0.0036116600000000, 0.0001918500000000, 0.0005885800000000 ] - [ 0.0014318200000000, 0.0002519000000000, 0.0008391400000000 ] - [ -0.0052693400000000, 0.0001526200000000, -0.0057132900000000 ] - [ -0.0024862700000000, -0.0001957500000000, -0.0050622400000000 ] - [ -0.0069676700000000, -0.0004693500000000, 0.0046751800000000 ] - [ 0.0003461400000000, -0.0002015900000000, 0.0043523800000000 ] - [ 0.0121619300000000, -0.0020412700000000, -0.0103303900000000 ] - [ -0.0038511500000000, 0.0004267800000000, -0.0009283600000000 ] - [ -0.0053832900000000, -0.0003774600000000, 0.0003211100000000 ] - [ 0.0027784200000000, -0.0015081900000000, 0.0055988200000000 ] - [ 0.4737088300000000, 0.0150397800000000, -0.0731691200000000 ] - [ -0.0038877200000000, -0.0004273800000000, -0.0009372700000000 ] - [ -0.0056266800000000, 0.0004793400000000, -0.0002937400000000 ] - [ 0.0050059900000000, 0.0009821100000000, 0.0023971200000000 ] - [ -0.0543062100000000, 0.0080985800000000, 0.0047577800000000 ] - [ -0.0034444100000000, -0.0002812000000000, -0.0005939700000000 ] - [ -0.0053058900000000, 0.0003405200000000, -0.0002376100000000 ] - [ 0.0038192800000000, 0.0004206700000000, -0.0001939600000000 ] - [ -0.0049589400000000, -0.0028722800000000, -0.0139681700000000 ] - [ -0.0030006700000000, 0.0002429700000000, -0.0013684700000000 ] - [ -0.0052326700000000, -0.0001677400000000, -0.0002456300000000 ] - [ 0.0007716300000000, -0.0004066700000000, 0.0019457200000000 ] - [ 0.0022587900000000, 0.0000499600000000, -0.0009956600000000 ] - [ -0.0057218100000000, -0.0000539300000000, -0.0009587900000000 ] - [ -0.0025176900000000, -0.0000169300000000, 0.0002736200000000 ] - [ -0.0138569100000000, 0.0034667700000000, 0.0080770200000000 ] - [ 0.0080968300000000, 0.0002544500000000, 0.0081950500000000 ] - [ -0.0040029100000000, -0.0001394600000000, -0.0005957700000000 ] - [ -0.0038158500000000, 0.0001391900000000, -0.0008642900000000 ] - [ 0.0207612000000000, 0.0008851300000000, -0.0070444700000000 ] - [ -0.0056174200000000, -0.0004777500000000, 0.0051308300000000 ] - [ -0.0023993500000000, 0.0000747000000000, 0.0009632800000000 ] - [ -0.0057037100000000, -0.0000236700000000, -0.0022728200000000 ] - [ 0.0002035300000000, -0.0001918000000000, -0.0035578300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011537800000000, -0.0010738300000000, 0.0007615000000000 ] - [ 0.0005356700000000, 0.0006496100000000, 0.0007278900000000 ] - [ -0.0000945100000000, -0.0000783500000000, -0.0002098400000000 ] - [ 0.0000697200000000, 0.0000508200000000, 0.0002568400000000 ] - [ 0.0009665900000000, 0.0002885100000000, -0.0002979500000000 ] - [ 0.0001833100000000, 0.0001221400000000, 0.0000605900000000 ] - [ -0.0003802900000000, 0.0002614600000000, -0.0002272200000000 ] - [ -0.0001309600000000, -0.0000261700000000, 0.0005691600000000 ] - [ 0.0108573300000000, -0.0092444300000000, 0.0051622300000000 ] - [ 0.0007506200000000, -0.0000988100000000, 0.0003384900000000 ] - [ 0.0000502500000000, 0.0001350500000000, 0.0000194200000000 ] - [ -0.0005507700000000, 0.0002385300000000, 0.0001991000000000 ] - [ 0.0014539700000000, -0.0065666700000000, 0.0113157700000000 ] - [ 0.0002818700000000, 0.0001537000000000, 0.0001528400000000 ] - [ 0.0001364700000000, -0.0001443200000000, 0.0002190900000000 ] - [ -0.0004430800000000, -0.0000719000000000, -0.0003540700000000 ] - [ 0.0053507200000000, 0.0519373700000000, 0.0694312300000000 ] - [ 0.0003118800000000, 0.0000142900000000, -0.0000329500000000 ] - [ 0.0002141000000000, -0.0000895500000000, -0.0001604200000000 ] - [ -0.0005779400000000, 0.0000347000000000, 0.0006652200000000 ] - [ -0.0371678600000000, 0.0310721700000000, -0.0189315600000000 ] - [ 0.0149366100000000, 0.1954034400000000, -0.0506253900000000 ] - [ 0.0000813900000000, 0.0002860000000000, -0.0000364100000000 ] - [ -0.0002453700000000, 0.0002912500000000, 0.0002822000000000 ] - [ 0.0402052600000000, 0.0467436500000000, -0.0388368600000000 ] - [ 0.0003000700000000, 0.0000458200000000, 0.0002477600000000 ] - [ 0.0004349500000000, -0.0000362600000000, 0.0000329300000000 ] - [ -0.0007213600000000, -0.0001435000000000, 0.0002334100000000 ] - [ 0.0018518900000000, 0.0013449400000000, -0.0027970400000000 ] - [ 0.0000634700000000, -0.0000219500000000, 0.0002272200000000 ] - [ 0.0001583500000000, 0.0000484700000000, 0.0001528900000000 ] - [ 0.0003682100000000, 0.0000774700000000, 0.0005156300000000 ] - [ 0.0001402600000000, 0.0001676900000000, -0.0001015100000000 ] - [ 0.0002192600000000, 0.0002072200000000, 0.0000270000000000 ] - [ 0.0001495900000000, -0.0002031000000000, 0.0002677200000000 ] - [ 0.0002892300000000, 0.0001431800000000, 0.0002448200000000 ] - [ -0.0006861700000000, 0.0002463200000000, 0.0003837400000000 ] - [ 0.0006297200000000, 0.0001229800000000, -0.0002739400000000 ] - [ 0.0005941000000000, -0.0001354500000000, -0.0000811200000000 ] - [ -0.0008957300000000, -0.0000313300000000, 0.0000078800000000 ] - [ 0.0000183700000000, 0.0001430400000000, 0.0001877500000000 ] - [ 0.0001991000000000, 0.0002357000000000, -0.0000125000000000 ] - [ 0.0001777500000000, -0.0002791300000000, 0.0001332300000000 ] - [ 0.0044698400000000, 0.0007419200000000, 0.0013208300000000 ] - [ 0.0000002700000000, 0.0001869800000000, 0.0000452100000000 ] - [ 0.0001222700000000, 0.0000550000000000, 0.0001187600000000 ] - [ 0.0000843600000000, -0.0000275200000000, 0.0002890800000000 ] - [ -0.0006676000000000, -0.0011300900000000, -0.0006194400000000 ] - [ -0.0007578900000000, 0.0000128000000000, -0.0002904400000000 ] - [ 0.0006948600000000, 0.0001028600000000, 0.0001119000000000 ] - [ 0.0006473600000000, -0.0000975100000000, 0.0002407700000000 ] - [ 0.0001592400000000, -0.0001996900000000, 0.0001305700000000 ] - [ -0.0037650900000000, -0.0000738100000000, -0.0006603900000000 ] - [ -0.0003548700000000, -0.0003363400000000, -0.0009971700000000 ] - [ 0.0000762400000000, 0.0001400900000000, -0.0002780300000000 ] - [ 0.0004195500000000, -0.0002286200000000, -0.0000861400000000 ] - [ -0.0100099500000000, 0.0773191500000000, -0.0217235900000000 ] - [ -0.0007956300000000, 0.0000767100000000, -0.0000507300000000 ] - [ -0.0002780000000000, -0.0000625500000000, 0.0000372800000000 ] - [ 0.0008203600000000, -0.0003641500000000, -0.0005495800000000 ] - [ -0.0122315500000000, -0.3893058800000000, 0.0418586100000000 ] - [ -0.0006825200000000, -0.0000405000000000, 0.0000479900000000 ] - [ -0.0007362700000000, -0.0000065800000000, 0.0003855400000000 ] - [ 0.0012400600000000, 0.0001941900000000, -0.0010038900000000 ] - [ -0.0107882700000000, 0.0035841200000000, 0.0026105400000000 ] - [ -0.0003533500000000, -0.0000310000000000, -0.0000725000000000 ] - [ -0.0004154400000000, 0.0000338700000000, 0.0001286500000000 ] - [ 0.0001907700000000, -0.0000979700000000, -0.0005521600000000 ] - [ 0.0007858000000000, -0.0019652900000000, -0.0003977900000000 ] - [ -0.0005664400000000, 0.0000329900000000, -0.0001983700000000 ] - [ -0.0006351100000000, -0.0000048600000000, 0.0001024800000000 ] - [ 0.0002781200000000, 0.0000703500000000, -0.0002115900000000 ] - [ -0.0001836300000000, 0.0000263800000000, -0.0016044400000000 ] - [ -0.0005121300000000, -0.0000335600000000, 0.0007592400000000 ] - [ -0.0002908100000000, 0.0000149300000000, 0.0000759900000000 ] - [ -0.0053281200000000, 0.0036595700000000, 0.0046746900000000 ] - [ -0.0000009000000000, -0.0031962100000000, 0.0011194300000000 ] - [ -0.0004828100000000, -0.0000975900000000, -0.0001581700000000 ] - [ -0.0004177600000000, 0.0000904800000000, -0.0002877000000000 ] - [ -0.0000015200000000, -0.0012192600000000, -0.0038953400000000 ] - [ 0.0003935100000000, -0.0001266000000000, 0.0002821400000000 ] - [ -0.0004766000000000, -0.0000013100000000, -0.0000202400000000 ] - [ -0.0009175600000000, 0.0000479900000000, -0.0002739700000000 ] - [ 0.0000273900000000, 0.0000357400000000, -0.0002527900000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008294200000000, 0.0010329300000000, -0.0005035400000000 ] - [ -0.0008432600000000, -0.0006697500000000, -0.0009646500000000 ] - [ -0.0002181700000000, 0.0001065800000000, -0.0000443100000000 ] - [ 0.0002460900000000, -0.0000221500000000, -0.0000086100000000 ] - [ -0.0013244600000000, -0.0001705500000000, 0.0007738100000000 ] - [ 0.0001869600000000, -0.0000065000000000, -0.0005348000000000 ] - [ 0.0007529000000000, -0.0003717500000000, -0.0002524700000000 ] - [ -0.0002408200000000, -0.0000887000000000, -0.0000919300000000 ] - [ -0.0107708300000000, 0.0088423300000000, -0.0051863200000000 ] - [ -0.0007348900000000, -0.0002296500000000, -0.0002396400000000 ] - [ -0.0000364000000000, 0.0001936100000000, 0.0000757900000000 ] - [ 0.0005375000000000, 0.0000916000000000, -0.0002963900000000 ] - [ -0.0013656000000000, 0.0067166900000000, -0.0115810000000000 ] - [ -0.0003630500000000, 0.0001024000000000, 0.0001562100000000 ] - [ -0.0002187000000000, -0.0001112400000000, 0.0000900100000000 ] - [ 0.0005228800000000, -0.0001798500000000, 0.0000304400000000 ] - [ -0.0056754000000000, -0.0519115400000000, -0.0718043600000000 ] - [ -0.0001560500000000, 0.0002173300000000, -0.0002350600000000 ] - [ -0.0000584300000000, -0.0001427100000000, -0.0001085600000000 ] - [ 0.0004193000000000, -0.0002634000000000, -0.0003962600000000 ] - [ 0.0363289700000000, -0.0307571600000000, 0.0184527200000000 ] - [ -0.0139479000000000, -0.1819720300000000, 0.0458532100000000 ] - [ -0.0002238800000000, 0.0003067100000000, 0.0000000500000000 ] - [ 0.0003874100000000, 0.0002999900000000, -0.0002486200000000 ] - [ -0.0396896800000000, -0.0456922900000000, 0.0378741300000000 ] - [ -0.0001505100000000, 0.0000320200000000, 0.0000361000000000 ] - [ -0.0002830800000000, -0.0000414000000000, 0.0002493100000000 ] - [ 0.0005682100000000, 0.0000644100000000, -0.0005170400000000 ] - [ -0.0015391700000000, -0.0013755200000000, 0.0024621100000000 ] - [ -0.0003384900000000, -0.0000132800000000, 0.0000745900000000 ] - [ -0.0004325400000000, -0.0000129300000000, 0.0001496100000000 ] - [ -0.0000884300000000, -0.0000415700000000, -0.0008122100000000 ] - [ 0.0000831400000000, 0.0001811000000000, -0.0000656300000000 ] - [ -0.0004333900000000, 0.0001424600000000, 0.0001378000000000 ] - [ -0.0003676800000000, -0.0001461300000000, -0.0001000600000000 ] - [ -0.0000678200000000, -0.0004886100000000, -0.0004041400000000 ] - [ 0.0000541100000000, 0.0000170500000000, 0.0000415100000000 ] - [ 0.0000073800000000, 0.0001393700000000, -0.0001546200000000 ] - [ 0.0000411100000000, -0.0001270200000000, -0.0003443800000000 ] - [ 0.0002475400000000, -0.0002254700000000, 0.0004166500000000 ] - [ 0.0000303800000000, 0.0002856900000000, -0.0001468300000000 ] - [ -0.0002439600000000, 0.0001937800000000, -0.0000276000000000 ] - [ -0.0002235600000000, -0.0001501400000000, -0.0001728200000000 ] - [ -0.0043682100000000, -0.0011471800000000, -0.0012599100000000 ] - [ 0.0001438500000000, 0.0000328700000000, -0.0003763500000000 ] - [ -0.0002640900000000, 0.0001635400000000, 0.0002122000000000 ] - [ -0.0002268500000000, -0.0001911400000000, 0.0000427900000000 ] - [ 0.0008133400000000, 0.0008821800000000, 0.0002862800000000 ] - [ 0.0002942400000000, 0.0002736900000000, -0.0000029600000000 ] - [ -0.0002300400000000, 0.0001846800000000, 0.0001776900000000 ] - [ -0.0001841700000000, -0.0001899700000000, 0.0000495600000000 ] - [ -0.0003022800000000, -0.0003919600000000, -0.0001657200000000 ] - [ 0.0037370700000000, 0.0002303700000000, 0.0008064600000000 ] - [ 0.0003190400000000, 0.0004880600000000, 0.0008202800000000 ] - [ -0.0001166500000000, -0.0002954700000000, 0.0001169700000000 ] - [ -0.0003820600000000, 0.0000698400000000, 0.0002548900000000 ] - [ 0.0100529300000000, -0.0767345100000000, 0.0210332500000000 ] - [ 0.0006660800000000, -0.0000153600000000, 0.0001125900000000 ] - [ 0.0001500300000000, 0.0000011600000000, 0.0000253500000000 ] - [ -0.0006913000000000, 0.0002977200000000, 0.0004933200000000 ] - [ 0.0118321200000000, 0.3735637100000000, -0.0336504600000000 ] - [ 0.0002303800000000, 0.0001012900000000, 0.0005619800000000 ] - [ 0.0002820400000000, -0.0000547600000000, 0.0002274700000000 ] - [ -0.0007835000000000, -0.0002525600000000, 0.0003921000000000 ] - [ 0.0105679500000000, -0.0034919700000000, -0.0027331200000000 ] - [ 0.0005161600000000, 0.0000488700000000, 0.0001957100000000 ] - [ 0.0005766400000000, -0.0000517900000000, -0.0000049300000000 ] - [ -0.0003562400000000, 0.0000789200000000, 0.0004268600000000 ] - [ -0.0003556100000000, 0.0019161500000000, 0.0003085600000000 ] - [ 0.0001453700000000, -0.0000554300000000, 0.0002710400000000 ] - [ 0.0002106900000000, 0.0000279500000000, -0.0000282900000000 ] - [ 0.0001362900000000, -0.0000467000000000, 0.0001389200000000 ] - [ 0.0002394500000000, -0.0000578900000000, 0.0008361700000000 ] - [ 0.0004516400000000, 0.0000021200000000, 0.0000034000000000 ] - [ 0.0002345100000000, 0.0000168100000000, 0.0006830300000000 ] - [ 0.0052555700000000, -0.0036400900000000, -0.0053678000000000 ] - [ 0.0000635000000000, 0.0029986200000000, -0.0007760400000000 ] - [ 0.0004117600000000, -0.0000814500000000, -0.0001579500000000 ] - [ 0.0003476200000000, 0.0000884700000000, -0.0000294200000000 ] - [ 0.0000810500000000, 0.0014336600000000, 0.0041803100000000 ] - [ 0.0000596500000000, 0.0001067900000000, -0.0002140800000000 ] - [ 0.0000129000000000, -0.0000160400000000, -0.0000433600000000 ] - [ 0.0004503100000000, -0.0000300600000000, 0.0002049700000000 ] - [ 0.0004304800000000, -0.0000178400000000, 0.0003160400000000 ]- atom: 61 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ -0.0034328100000000, 0.0005584700000000, 0.0003941600000000 ] - [ -0.0032100900000000, -0.0009630200000000, -0.0011559100000000 ] - [ 0.0015307500000000, 0.0006157500000000, -0.0030547400000000 ] - [ 0.0012656200000000, -0.0006131100000000, -0.0023602700000000 ] - [ -0.0032940400000000, -0.0004942200000000, 0.0057445300000000 ] - [ -0.0018498500000000, 0.0000740300000000, -0.0020746100000000 ] - [ 0.0064239000000000, 0.0003545000000000, -0.0018209000000000 ] - [ 0.0002413100000000, -0.0003222200000000, -0.0028795500000000 ] - [ -0.0235848300000000, -0.0052263000000000, 0.0040742100000000 ] - [ -0.0030051100000000, -0.0003239200000000, -0.0006865700000000 ] - [ 0.0032961800000000, 0.0002306100000000, -0.0000872700000000 ] - [ 0.0022355600000000, 0.0001764100000000, -0.0037229100000000 ] - [ -0.0011970400000000, -0.0046006900000000, -0.0131692900000000 ] - [ -0.0005730500000000, 0.0000666700000000, 0.0008525300000000 ] - [ 0.0002691900000000, -0.0001888900000000, -0.0005928800000000 ] - [ 0.0022649400000000, 0.0003478400000000, -0.0080306900000000 ] - [ 0.0025620200000000, 0.0678391500000000, 0.1637075900000000 ] - [ -0.0005068600000000, 0.0003695800000000, -0.0003992500000000 ] - [ 0.0005110300000000, 0.0001139600000000, 0.0000981400000000 ] - [ 0.0010959200000000, 0.0014752900000000, -0.0064134100000000 ] - [ 0.0381284900000000, -0.0122730700000000, 0.0582686100000000 ] - [ -0.0097329000000000, -0.0688377100000000, 0.0626472400000000 ] - [ 0.0003035600000000, 0.0000513600000000, 0.0003601900000000 ] - [ 0.0004444900000000, -0.0015485200000000, -0.0055635300000000 ] - [ -0.1711976100000000, -0.0434844300000000, 0.1968618200000000 ] - [ -0.0001918500000000, 0.0000213600000000, -0.0004499600000000 ] - [ 0.0000262800000000, -0.0000582100000000, 0.0007829100000000 ] - [ 0.0012492400000000, -0.0004155200000000, -0.0063280700000000 ] - [ 0.0031207600000000, -0.0007945900000000, 0.0105325300000000 ] - [ 0.0000054000000000, -0.0000868200000000, -0.0002898100000000 ] - [ -0.0005789200000000, -0.0000798800000000, 0.0005914800000000 ] - [ -0.0010985200000000, -0.0004493000000000, -0.0059777700000000 ] - [ 0.0019376700000000, 0.0000628200000000, -0.0005961200000000 ] - [ 0.0008704400000000, 0.0002710500000000, 0.0005934500000000 ] - [ -0.0009883400000000, -0.0000811900000000, -0.0005637300000000 ] - [ -0.0021703800000000, -0.0005264700000000, -0.0001250600000000 ] - [ 0.0050367500000000, 0.0006446000000000, -0.0019972100000000 ] - [ 0.0005349400000000, 0.0001664000000000, 0.0001244900000000 ] - [ -0.0000961400000000, -0.0001062000000000, -0.0006362400000000 ] - [ -0.0055685900000000, -0.0002608700000000, -0.0000807200000000 ] - [ 0.0009533800000000, 0.0010498300000000, -0.0026337300000000 ] - [ 0.0003414200000000, 0.0004415200000000, 0.0007715000000000 ] - [ -0.0005460400000000, 0.0000171300000000, -0.0007989400000000 ] - [ -0.0040962300000000, 0.0000580700000000, 0.0015793600000000 ] - [ 0.0009323900000000, -0.0007169900000000, -0.0032826500000000 ] - [ -0.0000446700000000, -0.0000588900000000, 0.0010146300000000 ] - [ -0.0002489100000000, -0.0003292600000000, -0.0006365200000000 ] - [ -0.0036979000000000, 0.0014380200000000, 0.0038582400000000 ] - [ 0.0014192400000000, -0.0001782100000000, -0.0053417100000000 ] - [ 0.0003671400000000, 0.0001062900000000, 0.0006192200000000 ] - [ -0.0003294400000000, -0.0002222400000000, -0.0003438100000000 ] - [ -0.0006255000000000, -0.0005832900000000, -0.0004362600000000 ] - [ 0.0147845700000000, -0.0001318800000000, -0.0018369400000000 ] - [ 0.0043026900000000, 0.0009167400000000, 0.0019300800000000 ] - [ -0.0048935600000000, -0.0003632100000000, 0.0038968500000000 ] - [ -0.0020110100000000, 0.0001101000000000, 0.0048410100000000 ] - [ 0.0235735600000000, 0.0246534300000000, 0.0160441400000000 ] - [ 0.0024016900000000, -0.0000082400000000, -0.0001510400000000 ] - [ -0.0021093300000000, -0.0000226500000000, 0.0002916100000000 ] - [ -0.0026593300000000, -0.0009079500000000, 0.0109653100000000 ] - [ 0.1417478700000000, 0.0432835400000000, -0.5107345500000000 ] - [ 0.0004524400000000, 0.0002168700000000, 0.0012427500000000 ] - [ -0.0004391100000000, 0.0001230900000000, -0.0005651300000000 ] - [ -0.0017410700000000, 0.0008100500000000, 0.0096618800000000 ] - [ 0.0074273500000000, -0.0002480500000000, -0.0163615500000000 ] - [ 0.0006208900000000, 0.0000178700000000, 0.0011099400000000 ] - [ -0.0000060100000000, -0.0000429400000000, -0.0010518800000000 ] - [ -0.0025091100000000, 0.0004542400000000, 0.0062717800000000 ] - [ 0.0054353600000000, 0.0009557600000000, -0.0029358300000000 ] - [ 0.0006620400000000, -0.0000997700000000, 0.0012528800000000 ] - [ -0.0009094100000000, -0.0000873200000000, -0.0012372900000000 ] - [ -0.0039469000000000, -0.0001755100000000, 0.0045752800000000 ] - [ 0.0031090800000000, -0.0000222300000000, 0.0079341600000000 ] - [ -0.0004038300000000, -0.0000366400000000, -0.0029289700000000 ] - [ 0.0003485500000000, 0.0000082200000000, 0.0027424800000000 ] - [ -0.0134986600000000, 0.0022444800000000, -0.0052873900000000 ] - [ -0.0147379700000000, -0.0008984500000000, 0.0154308600000000 ] - [ 0.0001516400000000, -0.0000632600000000, -0.0006337200000000 ] - [ 0.0001987100000000, 0.0001097900000000, 0.0004004100000000 ] - [ 0.0094726800000000, -0.0033591000000000, 0.0237697200000000 ] - [ -0.0022369700000000, -0.0001459000000000, -0.0024716400000000 ] - [ -0.0011157500000000, 0.0000044200000000, 0.0003965100000000 ] - [ 0.0013156900000000, 0.0000047100000000, -0.0001771200000000 ] - [ 0.0017108000000000, -0.0000269100000000, 0.0026687200000000 ]- atom: 61 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0037442000000000, -0.0005827400000000, -0.0001581000000000 ] - [ 0.0028957100000000, 0.0009300300000000, 0.0008946200000000 ] - [ -0.0018462700000000, -0.0005917900000000, 0.0028221200000000 ] - [ -0.0009483400000000, 0.0006466700000000, 0.0026209400000000 ] - [ 0.0029107300000000, 0.0006084600000000, -0.0052685400000000 ] - [ 0.0022313600000000, 0.0000392600000000, 0.0015896400000000 ] - [ -0.0060689100000000, -0.0004713800000000, 0.0013566300000000 ] - [ -0.0006109500000000, 0.0002077800000000, 0.0033623600000000 ] - [ 0.0235773200000000, 0.0049253000000000, -0.0041930400000000 ] - [ 0.0030102700000000, -0.0000060100000000, 0.0007783500000000 ] - [ -0.0032985900000000, 0.0000978700000000, 0.0001881600000000 ] - [ -0.0022176800000000, 0.0001533500000000, 0.0036274100000000 ] - [ 0.0013103000000000, 0.0047676400000000, 0.0127915900000000 ] - [ 0.0004850000000000, 0.0001906800000000, -0.0005503500000000 ] - [ -0.0003564000000000, -0.0000673600000000, 0.0009019600000000 ] - [ -0.0021481500000000, -0.0006068200000000, 0.0077043200000000 ] - [ -0.0036126500000000, -0.0734180300000000, -0.1725696000000000 ] - [ 0.0006589900000000, -0.0001373500000000, 0.0001282000000000 ] - [ -0.0003601000000000, -0.0003461100000000, -0.0003657500000000 ] - [ -0.0012403900000000, -0.0017079800000000, 0.0066688100000000 ] - [ -0.0384900100000000, 0.0119442500000000, -0.0590075500000000 ] - [ 0.0098560200000000, 0.0685196700000000, -0.0619333300000000 ] - [ -0.0004498500000000, 0.0005424200000000, -0.0003945600000000 ] - [ -0.0002950100000000, 0.0021412600000000, 0.0055934600000000 ] - [ 0.1615484300000000, 0.0408878200000000, -0.1903877900000000 ] - [ 0.0003402300000000, 0.0000559200000000, 0.0007306800000000 ] - [ 0.0001176100000000, -0.0000190100000000, -0.0005014700000000 ] - [ -0.0013911000000000, 0.0003389700000000, 0.0060486400000000 ] - [ -0.0028600000000000, 0.0007697300000000, -0.0108999200000000 ] - [ -0.0002868700000000, 0.0000523700000000, 0.0005915600000000 ] - [ 0.0002998300000000, 0.0001149600000000, -0.0002884600000000 ] - [ 0.0013611900000000, 0.0004823400000000, 0.0056525100000000 ] - [ -0.0017190700000000, 0.0002851800000000, 0.0004287500000000 ] - [ -0.0011010000000000, 0.0000756100000000, -0.0004347700000000 ] - [ 0.0007553500000000, -0.0002653300000000, 0.0007283500000000 ] - [ 0.0023913000000000, 0.0001807000000000, -0.0000223000000000 ] - [ -0.0056819100000000, -0.0003833400000000, 0.0024229700000000 ] - [ 0.0000947200000000, 0.0000957600000000, -0.0005535200000000 ] - [ 0.0007254300000000, -0.0001563400000000, 0.0002120700000000 ] - [ 0.0048984900000000, -0.0000008700000000, 0.0005321700000000 ] - [ -0.0009105100000000, -0.0006171500000000, 0.0026688200000000 ] - [ -0.0003929400000000, -0.0000116600000000, -0.0008153400000000 ] - [ 0.0004938500000000, -0.0004474600000000, 0.0007570000000000 ] - [ 0.0041920800000000, -0.0004696500000000, -0.0015141300000000 ] - [ -0.0007937700000000, 0.0009354700000000, 0.0029442800000000 ] - [ -0.0001000500000000, 0.0002817300000000, -0.0006837800000000 ] - [ 0.0001034300000000, 0.0001064700000000, 0.0009700400000000 ] - [ 0.0038888100000000, -0.0016876400000000, -0.0041911800000000 ] - [ -0.0018815100000000, 0.0004667300000000, 0.0050615500000000 ] - [ 0.0000880600000000, 0.0001827900000000, -0.0003355000000000 ] - [ 0.0007855700000000, -0.0000666500000000, 0.0006277100000000 ] - [ 0.0004797300000000, -0.0000108500000000, 0.0003990100000000 ] - [ -0.0147519600000000, 0.0002939300000000, 0.0020221700000000 ] - [ -0.0043371200000000, -0.0007598400000000, -0.0020780800000000 ] - [ 0.0048694100000000, 0.0002084800000000, -0.0040847400000000 ] - [ 0.0020236400000000, -0.0002675000000000, -0.0046942400000000 ] - [ -0.0235957800000000, -0.0245944800000000, -0.0161428300000000 ] - [ -0.0025221300000000, 0.0000674300000000, 0.0002218200000000 ] - [ 0.0019917600000000, -0.0000370300000000, -0.0002288700000000 ] - [ 0.0027558900000000, 0.0008469700000000, -0.0110097600000000 ] - [ -0.1308922300000000, -0.0348381100000000, 0.5122717600000000 ] - [ -0.0008931200000000, -0.0001538000000000, -0.0006271100000000 ] - [ 0.0000017800000000, -0.0001865800000000, 0.0011770900000000 ] - [ 0.0021775800000000, -0.0008753900000000, -0.0102646600000000 ] - [ -0.0077038000000000, 0.0002599100000000, 0.0163135400000000 ] - [ -0.0004497000000000, 0.0000011400000000, -0.0009832000000000 ] - [ 0.0001760900000000, 0.0000239300000000, 0.0011800100000000 ] - [ 0.0023493800000000, -0.0004689700000000, -0.0063828000000000 ] - [ -0.0050111000000000, -0.0009855800000000, 0.0027985700000000 ] - [ -0.0010662800000000, 0.0000764300000000, -0.0011788100000000 ] - [ 0.0005030800000000, 0.0001117400000000, 0.0013163600000000 ] - [ 0.0043711100000000, 0.0001972100000000, -0.0046460200000000 ] - [ -0.0030686600000000, -0.0000090600000000, -0.0086894300000000 ] - [ 0.0003633300000000, 0.0000054700000000, 0.0036929600000000 ] - [ -0.0004035500000000, 0.0000232300000000, -0.0019835300000000 ] - [ 0.0135066200000000, -0.0021940900000000, 0.0044560600000000 ] - [ 0.0148497600000000, 0.0007122700000000, -0.0151927600000000 ] - [ -0.0002119400000000, -0.0001142700000000, 0.0003200900000000 ] - [ -0.0002612000000000, 0.0000677300000000, -0.0007184400000000 ] - [ -0.0093012100000000, 0.0034685300000000, -0.0231922900000000 ] - [ 0.0026940300000000, 0.0001294600000000, 0.0025527400000000 ] - [ 0.0006670000000000, -0.0000227500000000, -0.0004602100000000 ] - [ -0.0017732900000000, 0.0000139100000000, 0.0001051300000000 ] - [ -0.0012394000000000, 0.0000440100000000, -0.0026062100000000 ]- atom: 65 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0020599000000000, 0.0011088100000000, -0.0015020100000000 ] - [ -0.0019148700000000, -0.0011378800000000, -0.0021593500000000 ] - [ -0.0017638900000000, 0.0000788300000000, 0.0009407100000000 ] - [ -0.0010914000000000, -0.0000895100000000, 0.0007944200000000 ] - [ -0.0036471100000000, -0.0001162800000000, -0.0000525300000000 ] - [ -0.0011015300000000, 0.0000473800000000, -0.0013799700000000 ] - [ -0.0036822500000000, -0.0003746600000000, 0.0009854000000000 ] - [ -0.0017781400000000, 0.0000608500000000, 0.0004975700000000 ] - [ -0.0082738500000000, -0.0005367400000000, -0.0029594200000000 ] - [ -0.0041452200000000, -0.0002265800000000, -0.0007309900000000 ] - [ -0.0049114300000000, 0.0001016900000000, 0.0001228100000000 ] - [ -0.0012206600000000, 0.0001164600000000, 0.0006233000000000 ] - [ 0.0019835400000000, -0.0015151100000000, -0.0075245400000000 ] - [ -0.0024511600000000, -0.0000790700000000, -0.0001632000000000 ] - [ -0.0023707400000000, 0.0000844100000000, -0.0000763900000000 ] - [ -0.0000669400000000, -0.0005016800000000, 0.0033040400000000 ] - [ -0.0067865800000000, -0.0044637700000000, -0.0142740700000000 ] - [ -0.0014883000000000, 0.0007419700000000, -0.0005089500000000 ] - [ -0.0018874000000000, -0.0008086700000000, -0.0005132600000000 ] - [ -0.0000666000000000, -0.0005146400000000, 0.0028404600000000 ] - [ 0.1989728500000000, -0.0217610700000000, -0.0462456900000000 ] - [ -0.0084320200000000, 0.0075382400000000, -0.0103068000000000 ] - [ -0.0021264300000000, 0.0008306600000000, -0.0006197700000000 ] - [ 0.0011244800000000, 0.0009510300000000, 0.0018606600000000 ] - [ -0.0137374800000000, 0.0002066600000000, 0.0042514100000000 ] - [ -0.0020405100000000, -0.0000188000000000, -0.0002026000000000 ] - [ -0.0030017800000000, -0.0000222400000000, 0.0003597900000000 ] - [ 0.0015516900000000, 0.0001064200000000, 0.0002786500000000 ] - [ 0.0538062200000000, 0.0113441000000000, -0.0441420900000000 ] - [ -0.0014042300000000, 0.0000100600000000, 0.0000004600000000 ] - [ -0.0034000200000000, -0.0002526600000000, -0.0005331200000000 ] - [ 0.0045271100000000, -0.0000086300000000, 0.0021825000000000 ] - [ 0.0015879000000000, -0.0001459100000000, 0.0030746000000000 ] - [ -0.0043815000000000, -0.0000787800000000, 0.0033469500000000 ] - [ -0.0000207500000000, -0.0000532100000000, -0.0026323700000000 ] - [ -0.0009892900000000, -0.0020959900000000, -0.0085043900000000 ] - [ 0.0036212600000000, 0.0002047400000000, 0.0024354900000000 ] - [ -0.0031687100000000, 0.0002500600000000, 0.0010879600000000 ] - [ -0.0015377100000000, -0.0000524300000000, -0.0020981000000000 ] - [ 0.0180059100000000, -0.0050526800000000, -0.0065710900000000 ] - [ 0.0021415000000000, -0.0005867700000000, 0.0017062500000000 ] - [ -0.0030087300000000, 0.0000211900000000, -0.0001629600000000 ] - [ -0.0007809200000000, 0.0003281500000000, -0.0009334300000000 ] - [ 0.0834136600000000, 0.0444473800000000, 0.0626340100000000 ] - [ 0.0020594000000000, 0.0013174500000000, 0.0008953200000000 ] - [ -0.0025983900000000, 0.0007792300000000, 0.0004358900000000 ] - [ -0.0009962300000000, -0.0007077700000000, -0.0005852500000000 ] - [ 0.0473418100000000, -0.0535232300000000, 0.0112715000000000 ] - [ 0.0041589600000000, 0.0005617600000000, 0.0005533800000000 ] - [ -0.0049399400000000, 0.0006774700000000, 0.0000863900000000 ] - [ -0.0027223600000000, -0.0004690600000000, -0.0004077900000000 ] - [ -0.0015936400000000, -0.0008100900000000, -0.0007197000000000 ] - [ 0.0073039700000000, -0.0002676900000000, 0.0030066300000000 ] - [ 0.0038953600000000, 0.0006381000000000, 0.0030095900000000 ] - [ 0.0052259500000000, -0.0001040600000000, -0.0014819500000000 ] - [ 0.0019924500000000, 0.0002046300000000, -0.0009869800000000 ] - [ 0.0073336500000000, 0.0039868200000000, 0.0149372300000000 ] - [ 0.0041415400000000, -0.0003102400000000, 0.0004158400000000 ] - [ 0.0047241500000000, 0.0003582800000000, 0.0003253800000000 ] - [ 0.0005156100000000, 0.0001924800000000, -0.0041855400000000 ] - [ 0.0544083500000000, -0.0105898800000000, 0.0157376300000000 ] - [ 0.0033024300000000, 0.0004667000000000, 0.0013850500000000 ] - [ 0.0051696900000000, -0.0005285600000000, 0.0010405500000000 ] - [ -0.0036820600000000, -0.0003053300000000, -0.0033622900000000 ] - [ -0.4151008000000000, 0.0168057500000000, 0.0204640200000000 ] - [ 0.0028353600000000, 0.0003918400000000, 0.0005546600000000 ] - [ 0.0061167000000000, -0.0006613300000000, 0.0003196400000000 ] - [ -0.0049987000000000, -0.0008824300000000, -0.0019538300000000 ] - [ -0.0175128200000000, 0.0146470400000000, 0.0233189200000000 ] - [ 0.0011014000000000, -0.0004433400000000, 0.0020136100000000 ] - [ 0.0059050900000000, 0.0002725700000000, -0.0009792900000000 ] - [ -0.0034819200000000, 0.0007030500000000, -0.0024621700000000 ] - [ 0.0007932000000000, -0.0000488300000000, 0.0017178000000000 ] - [ 0.0046141800000000, -0.0000023100000000, 0.0008426900000000 ] - [ 0.0030562800000000, 0.0000286700000000, 0.0010795300000000 ] - [ 0.0068199800000000, -0.0000677900000000, -0.0030524800000000 ] - [ -0.0102021200000000, -0.0004095700000000, 0.0035440800000000 ] - [ 0.0037950300000000, -0.0000448400000000, -0.0004121400000000 ] - [ 0.0037439100000000, 0.0000417200000000, 0.0012423900000000 ] - [ -0.0052473100000000, 0.0007701900000000, -0.0185232100000000 ] - [ 0.0054102500000000, -0.0012961400000000, -0.0160681800000000 ] - [ 0.0004539300000000, -0.0000827000000000, -0.0021854500000000 ] - [ 0.0090712500000000, 0.0003484000000000, 0.0067963400000000 ] - [ -0.0042116600000000, 0.0002777100000000, 0.0038418600000000 ]- atom: 65 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0023768900000000, -0.0011371400000000, 0.0017559900000000 ] - [ 0.0016016900000000, 0.0011123800000000, 0.0019121100000000 ] - [ 0.0014473800000000, -0.0000510100000000, -0.0011938800000000 ] - [ 0.0014034100000000, 0.0001158500000000, -0.0005440800000000 ] - [ 0.0032741700000000, 0.0002303300000000, 0.0005291000000000 ] - [ 0.0014739200000000, 0.0000669100000000, 0.0009047900000000 ] - [ 0.0040540900000000, 0.0002611400000000, -0.0014665300000000 ] - [ 0.0013997400000000, -0.0001743400000000, -0.0000172300000000 ] - [ 0.0082908600000000, 0.0002112900000000, 0.0028708100000000 ] - [ 0.0041512900000000, -0.0001037900000000, 0.0008262300000000 ] - [ 0.0049141100000000, 0.0002287600000000, -0.0000308800000000 ] - [ 0.0012026900000000, 0.0002142500000000, -0.0007156900000000 ] - [ -0.0019079900000000, 0.0017811500000000, 0.0072427000000000 ] - [ 0.0023651400000000, 0.0003369300000000, 0.0004656300000000 ] - [ 0.0022871100000000, -0.0003425900000000, 0.0003762800000000 ] - [ 0.0001392900000000, 0.0002419700000000, -0.0036064900000000 ] - [ 0.0066866900000000, 0.0047216400000000, 0.0145828600000000 ] - [ 0.0016411800000000, -0.0005090900000000, 0.0002448200000000 ] - [ 0.0020395100000000, 0.0005737700000000, 0.0002440800000000 ] - [ -0.0000918000000000, 0.0002817500000000, -0.0025707100000000 ] - [ -0.2128735800000000, 0.0235019100000000, 0.0504787400000000 ] - [ 0.0086135600000000, -0.0081497800000000, 0.0103609000000000 ] - [ 0.0019802900000000, -0.0002363800000000, 0.0005808100000000 ] - [ -0.0009833000000000, -0.0003580300000000, -0.0018217300000000 ] - [ 0.0135018400000000, -0.0001402300000000, -0.0045601000000000 ] - [ 0.0021898600000000, 0.0000957900000000, 0.0004850300000000 ] - [ 0.0031497800000000, -0.0000545200000000, -0.0000800400000000 ] - [ -0.0017100500000000, -0.0001839700000000, -0.0005588900000000 ] - [ -0.0543661100000000, -0.0116022800000000, 0.0448798800000000 ] - [ 0.0011274500000000, -0.0000449300000000, 0.0003081700000000 ] - [ 0.0031287800000000, 0.0002912000000000, 0.0008232200000000 ] - [ -0.0042507600000000, 0.0000443300000000, -0.0024751800000000 ] - [ -0.0013458800000000, 0.0004907400000000, -0.0032266800000000 ] - [ 0.0041085700000000, 0.0004177700000000, -0.0031534800000000 ] - [ -0.0001949000000000, -0.0002939300000000, 0.0027999200000000 ] - [ 0.0013020300000000, 0.0018018900000000, 0.0083822300000000 ] - [ -0.0042437800000000, 0.0000572000000000, -0.0020105600000000 ] - [ 0.0037841800000000, 0.0000118000000000, -0.0015108100000000 ] - [ 0.0021769600000000, -0.0002100300000000, 0.0016715300000000 ] - [ -0.0187064700000000, 0.0047869800000000, 0.0070462800000000 ] - [ -0.0020862700000000, 0.0010143300000000, -0.0016561000000000 ] - [ 0.0029519700000000, 0.0004026300000000, 0.0001125600000000 ] - [ 0.0007403600000000, -0.0007600300000000, 0.0009004000000000 ] - [ -0.0823951900000000, -0.0430407500000000, -0.0599460700000000 ] - [ -0.0019138400000000, -0.0010923200000000, -0.0012197900000000 ] - [ 0.0024470400000000, -0.0005516900000000, -0.0001168800000000 ] - [ 0.0008555300000000, 0.0004862200000000, 0.0009277300000000 ] - [ -0.0478697800000000, 0.0534505200000000, -0.0116769200000000 ] - [ -0.0046202700000000, -0.0002730700000000, -0.0008331600000000 ] - [ 0.0053942700000000, -0.0003868700000000, 0.0001907700000000 ] - [ 0.0031859400000000, 0.0001800300000000, 0.0006921100000000 ] - [ 0.0014494100000000, 0.0002179900000000, 0.0006856000000000 ] - [ -0.0072863200000000, 0.0004249100000000, -0.0028447000000000 ] - [ -0.0039271100000000, -0.0004824300000000, -0.0031812600000000 ] - [ -0.0052540400000000, -0.0000531400000000, 0.0013189800000000 ] - [ -0.0019502900000000, -0.0003613200000000, 0.0011542800000000 ] - [ -0.0072333900000000, -0.0039700900000000, -0.0150575500000000 ] - [ -0.0042639000000000, 0.0003702900000000, -0.0003539700000000 ] - [ -0.0048444400000000, -0.0004179800000000, -0.0002565000000000 ] - [ -0.0003794200000000, -0.0002532700000000, 0.0041146100000000 ] - [ -0.0544330500000000, 0.0107656600000000, -0.0161644100000000 ] - [ -0.0037499400000000, -0.0004049200000000, -0.0007774500000000 ] - [ -0.0056105900000000, 0.0004652800000000, -0.0004231900000000 ] - [ 0.0041352000000000, 0.0002434100000000, 0.0027459000000000 ] - [ 0.4294994400000000, -0.0207016300000000, -0.0289189800000000 ] - [ -0.0026740500000000, -0.0003728700000000, -0.0004417200000000 ] - [ -0.0059417700000000, 0.0006369900000000, -0.0001722900000000 ] - [ 0.0048284300000000, 0.0008641600000000, 0.0018155000000000 ] - [ 0.0178329700000000, -0.0146807400000000, -0.0234500300000000 ] - [ -0.0015314000000000, 0.0004198600000000, -0.0019483800000000 ] - [ -0.0062751900000000, -0.0002379900000000, 0.0010777600000000 ] - [ 0.0038787600000000, -0.0006785000000000, 0.0023742200000000 ] - [ -0.0007336700000000, 0.0000176000000000, -0.0024857200000000 ] - [ -0.0046657300000000, -0.0000291700000000, -0.0000796700000000 ] - [ -0.0031078800000000, 0.0000027100000000, -0.0003213900000000 ] - [ -0.0067634000000000, 0.0000988500000000, 0.0023058800000000 ] - [ 0.0102869200000000, 0.0002325700000000, -0.0032366200000000 ] - [ -0.0038555600000000, -0.0001331700000000, 0.0000928600000000 ] - [ -0.0038136500000000, 0.0001358400000000, -0.0015570300000000 ] - [ 0.0053490100000000, -0.0005869700000000, 0.0188335700000000 ] - [ -0.0050011500000000, 0.0012730300000000, 0.0160676600000000 ] - [ -0.0009122600000000, 0.0000646400000000, 0.0020968600000000 ] - [ -0.0095412000000000, -0.0003236100000000, -0.0068167100000000 ] - [ 0.0046616400000000, -0.0002606800000000, -0.0037999100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002960200000000, -0.0000637400000000, 0.0001877800000000 ] - [ -0.0000279900000000, 0.0000431400000000, -0.0000456000000000 ] - [ -0.0000776300000000, 0.0000118400000000, -0.0001772700000000 ] - [ 0.0002232900000000, 0.0000229600000000, 0.0000976000000000 ] - [ 0.0000241800000000, 0.0000670800000000, 0.0002347300000000 ] - [ 0.0003432000000000, 0.0000508500000000, -0.0001898700000000 ] - [ 0.0004302800000000, -0.0000496100000000, -0.0003239500000000 ] - [ -0.0000902300000000, -0.0000599000000000, 0.0002629200000000 ] - [ 0.0004128600000000, -0.0000263600000000, -0.0000251000000000 ] - [ 0.0003202700000000, -0.0001629600000000, 0.0000852600000000 ] - [ 0.0002993700000000, 0.0001714600000000, 0.0000495900000000 ] - [ -0.0000405100000000, 0.0001580500000000, 0.0000307400000000 ] - [ 0.0002309900000000, 0.0000576700000000, -0.0002227600000000 ] - [ 0.0001315100000000, 0.0001444300000000, 0.0001689700000000 ] - [ 0.0000834900000000, -0.0001395400000000, 0.0001791100000000 ] - [ -0.0003340500000000, -0.0001588900000000, -0.0001792100000000 ] - [ 0.0007832100000000, 0.0009311300000000, 0.0014784200000000 ] - [ 0.0002003600000000, 0.0000707700000000, -0.0001134700000000 ] - [ 0.0001950300000000, -0.0000669500000000, -0.0000886200000000 ] - [ -0.0001487200000000, -0.0001875600000000, 0.0002397900000000 ] - [ -0.0216439500000000, 0.0269972700000000, 0.0049972300000000 ] - [ -0.0004518400000000, -0.0016127300000000, -0.0005149100000000 ] - [ 0.0000515600000000, 0.0002543400000000, 0.0000378900000000 ] - [ -0.0000626400000000, 0.0003632400000000, 0.0001542500000000 ] - [ 0.0018626400000000, -0.0013739200000000, -0.0006951500000000 ] - [ 0.0002331500000000, 0.0000421400000000, 0.0001421900000000 ] - [ 0.0002744700000000, -0.0000432000000000, 0.0001433400000000 ] - [ -0.0000043200000000, 0.0000652100000000, 0.0003382800000000 ] - [ 0.0108791900000000, 0.0461393200000000, -0.0612624600000000 ] - [ 0.0000280500000000, -0.0000348400000000, 0.0001837200000000 ] - [ 0.0001529500000000, -0.0001349300000000, 0.0003325400000000 ] - [ -0.0003148300000000, 0.0000096600000000, 0.0000894000000000 ] - [ -0.0000759500000000, 0.0003998800000000, -0.0013649400000000 ] - [ -0.0003992900000000, 0.0005551400000000, 0.0000987700000000 ] - [ 0.0001846400000000, -0.0002316700000000, -0.0000959600000000 ] - [ 0.0053077800000000, -0.0069165900000000, 0.0090830100000000 ] - [ -0.0014157700000000, 0.0005526400000000, 0.0003200300000000 ] - [ 0.0004722600000000, 0.0000568800000000, -0.0002596400000000 ] - [ 0.0004380000000000, -0.0000665400000000, -0.0007199500000000 ] - [ -0.0021763800000000, -0.0098741100000000, 0.0084106300000000 ] - [ -0.0003787900000000, 0.0003150500000000, 0.0002064700000000 ] - [ 0.0003470300000000, -0.0000520300000000, 0.0001861000000000 ] - [ 0.0003072100000000, -0.0001680500000000, 0.0001131300000000 ] - [ 0.0455078600000000, 0.0571301600000000, 0.0584743900000000 ] - [ -0.0004069700000000, -0.0000257500000000, 0.0001776700000000 ] - [ 0.0001035800000000, 0.0001994800000000, 0.0003498900000000 ] - [ 0.0000787700000000, -0.0001052100000000, 0.0001373900000000 ] - [ -0.0416742300000000, 0.1789587100000000, -0.0305950600000000 ] - [ -0.0009032100000000, 0.0001267800000000, 0.0003674800000000 ] - [ 0.0005803000000000, 0.0001330700000000, 0.0001767900000000 ] - [ 0.0005356500000000, -0.0001224700000000, 0.0001442800000000 ] - [ 0.0000451900000000, -0.0002603400000000, 0.0000201300000000 ] - [ -0.0004166900000000, 0.0001099600000000, -0.0000327900000000 ] - [ -0.0003413700000000, 0.0000477700000000, -0.0002135200000000 ] - [ -0.0003200000000000, -0.0000891400000000, -0.0000027800000000 ] - [ -0.0000454100000000, -0.0000940300000000, 0.0001095800000000 ] - [ 0.0005228900000000, -0.0005701500000000, 0.0003654800000000 ] - [ -0.0003773200000000, 0.0000584500000000, 0.0000178500000000 ] - [ -0.0003407200000000, -0.0000580100000000, -0.0000146000000000 ] - [ 0.0002244500000000, 0.0000204000000000, -0.0002257400000000 ] - [ -0.0079186700000000, 0.0035128200000000, -0.0018011700000000 ] - [ -0.0005111000000000, -0.0000085100000000, 0.0002540000000000 ] - [ -0.0005701400000000, 0.0000110100000000, 0.0002197800000000 ] - [ 0.0006510500000000, -0.0001194300000000, -0.0007075200000000 ] - [ 0.0150346500000000, -0.3756551000000000, 0.0297861200000000 ] - [ -0.0002967200000000, 0.0000812200000000, -0.0000027600000000 ] - [ -0.0005629800000000, -0.0000531000000000, -0.0001934000000000 ] - [ 0.0007846300000000, 0.0001786100000000, -0.0006473400000000 ] - [ -0.0045998000000000, 0.0731147700000000, -0.0229179500000000 ] - [ -0.0008375700000000, -0.0001523600000000, 0.0000938600000000 ] - [ -0.0005184600000000, 0.0001472800000000, -0.0000310500000000 ] - [ 0.0016234600000000, -0.0002639400000000, -0.0004282100000000 ] - [ -0.0001960200000000, -0.0000111200000000, -0.0006000100000000 ] - [ -0.0003259000000000, -0.0000164700000000, 0.0003486700000000 ] - [ -0.0002433700000000, 0.0000149800000000, 0.0003261300000000 ] - [ -0.0002195500000000, 0.0000380500000000, -0.0001523200000000 ] - [ -0.0010182200000000, -0.0001831500000000, -0.0022880100000000 ] - [ -0.0003298600000000, -0.0000943800000000, -0.0001794500000000 ] - [ -0.0002436900000000, 0.0001087900000000, -0.0001997800000000 ] - [ 0.0010039200000000, -0.0011679900000000, 0.0012051100000000 ] - [ -0.0020444000000000, 0.0103537000000000, 0.0066201400000000 ] - [ -0.0003224100000000, 0.0000025200000000, 0.0000288500000000 ] - [ 0.0017801300000000, -0.0012809000000000, 0.0014904500000000 ] - [ 0.0002381600000000, -0.0000730200000000, -0.0010535900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000178100000000, 0.0000359500000000, 0.0000621800000000 ] - [ -0.0002880300000000, -0.0000712600000000, -0.0002057200000000 ] - [ -0.0002383200000000, 0.0000156900000000, -0.0000722700000000 ] - [ 0.0000908000000000, 0.0000051200000000, 0.0001537800000000 ] - [ -0.0004000300000000, 0.0000473800000000, 0.0002435800000000 ] - [ 0.0000292200000000, 0.0000633700000000, -0.0002898200000000 ] - [ -0.0000602800000000, -0.0000647300000000, -0.0001535700000000 ] - [ -0.0002849300000000, -0.0000542600000000, 0.0002162300000000 ] - [ -0.0004190700000000, -0.0003093800000000, -0.0000679100000000 ] - [ -0.0003160900000000, -0.0001664000000000, 0.0000090500000000 ] - [ -0.0002951400000000, 0.0001576900000000, 0.0000456400000000 ] - [ 0.0000321100000000, 0.0001716400000000, -0.0001257200000000 ] - [ -0.0001417500000000, 0.0001943800000000, -0.0000820600000000 ] - [ -0.0002190800000000, 0.0001120700000000, 0.0001376600000000 ] - [ -0.0001704200000000, -0.0001164300000000, 0.0001287000000000 ] - [ 0.0004226800000000, -0.0000980700000000, -0.0001266500000000 ] - [ -0.0009659200000000, -0.0007149400000000, -0.0012447500000000 ] - [ -0.0000492400000000, 0.0001626800000000, -0.0001549300000000 ] - [ -0.0000438200000000, -0.0001667000000000, -0.0001796000000000 ] - [ -0.0000042600000000, -0.0000446300000000, 0.0000303300000000 ] - [ 0.0222700300000000, -0.0277651900000000, -0.0054920500000000 ] - [ 0.0006276900000000, 0.0010569100000000, 0.0005515200000000 ] - [ -0.0001986100000000, 0.0003388500000000, -0.0000754900000000 ] - [ 0.0002106000000000, 0.0002294400000000, -0.0001163900000000 ] - [ -0.0020674200000000, 0.0014616200000000, 0.0004197100000000 ] - [ -0.0000867400000000, 0.0000349600000000, 0.0001390800000000 ] - [ -0.0001284800000000, -0.0000337300000000, 0.0001376100000000 ] - [ -0.0001442400000000, -0.0001432800000000, -0.0006222800000000 ] - [ -0.0106552800000000, -0.0471631000000000, 0.0615771000000000 ] - [ -0.0003093000000000, 0.0000000500000000, 0.0001172800000000 ] - [ -0.0004330300000000, 0.0001714000000000, -0.0000333000000000 ] - [ 0.0005999700000000, 0.0000262600000000, -0.0003893400000000 ] - [ 0.0002959600000000, -0.0000527500000000, 0.0012159800000000 ] - [ 0.0001810100000000, -0.0002080600000000, 0.0000601600000000 ] - [ -0.0004083600000000, -0.0001163200000000, 0.0002643700000000 ] - [ -0.0051013600000000, 0.0066697900000000, -0.0092755400000000 ] - [ 0.0007912800000000, -0.0002949200000000, 0.0001158000000000 ] - [ 0.0001581400000000, 0.0002061500000000, -0.0001682700000000 ] - [ 0.0001922600000000, -0.0001963400000000, 0.0002978300000000 ] - [ 0.0015434100000000, 0.0096739700000000, -0.0080675500000000 ] - [ 0.0004302200000000, 0.0001109300000000, -0.0001641100000000 ] - [ -0.0004024400000000, 0.0004833600000000, -0.0002321700000000 ] - [ -0.0003587300000000, -0.0002619100000000, -0.0001544900000000 ] - [ -0.0436501000000000, -0.0571246100000000, -0.0560822600000000 ] - [ 0.0005551100000000, 0.0002496700000000, -0.0005079600000000 ] - [ -0.0002484000000000, 0.0000214400000000, -0.0000219200000000 ] - [ -0.0002245000000000, -0.0001158800000000, 0.0001953400000000 ] - [ 0.0458562000000000, -0.1927245000000000, 0.0335615000000000 ] - [ 0.0004541600000000, 0.0001620100000000, -0.0006559000000000 ] - [ -0.0001263100000000, 0.0001556900000000, 0.0001076800000000 ] - [ -0.0000813200000000, -0.0001664100000000, 0.0001414300000000 ] - [ -0.0001927000000000, -0.0003325500000000, -0.0000578600000000 ] - [ 0.0004529000000000, 0.0000467900000000, 0.0001995100000000 ] - [ 0.0003113600000000, 0.0001096600000000, 0.0000502900000000 ] - [ 0.0002902100000000, -0.0000677400000000, -0.0001641200000000 ] - [ 0.0000803300000000, -0.0000631100000000, 0.0000543300000000 ] - [ -0.0004122800000000, 0.0006739000000000, -0.0004475300000000 ] - [ 0.0002579500000000, 0.0000017100000000, 0.0000470800000000 ] - [ 0.0002207000000000, -0.0000021900000000, 0.0000783900000000 ] - [ -0.0001018800000000, -0.0000819900000000, 0.0001605500000000 ] - [ 0.0084218200000000, -0.0035636900000000, 0.0012060500000000 ] - [ 0.0000692000000000, 0.0000712300000000, 0.0003594700000000 ] - [ 0.0001286300000000, -0.0000742500000000, 0.0003942900000000 ] - [ -0.0002118400000000, 0.0000577500000000, 0.0000941600000000 ] - [ -0.0225133900000000, 0.3905771700000000, -0.0361975100000000 ] - [ 0.0004687100000000, -0.0000631100000000, 0.0001274800000000 ] - [ 0.0007357300000000, 0.0000368800000000, 0.0003239800000000 ] - [ -0.0009626300000000, -0.0002003500000000, 0.0005234600000000 ] - [ 0.0053268400000000, -0.0735815900000000, 0.0233630700000000 ] - [ 0.0004283100000000, 0.0001305200000000, -0.0000214300000000 ] - [ 0.0001083800000000, -0.0001271300000000, 0.0001087700000000 ] - [ -0.0012184600000000, 0.0002914200000000, 0.0003504400000000 ] - [ 0.0002507300000000, -0.0000202800000000, -0.0001593500000000 ] - [ 0.0002758300000000, -0.0000150700000000, 0.0004127300000000 ] - [ 0.0001922300000000, 0.0000166200000000, 0.0004343900000000 ] - [ 0.0002764200000000, -0.0000064200000000, -0.0006083200000000 ] - [ 0.0010751900000000, -0.0000066700000000, 0.0026115900000000 ] - [ 0.0002684200000000, -0.0000837900000000, -0.0001357800000000 ] - [ 0.0001804500000000, 0.0000693100000000, -0.0001167300000000 ] - [ -0.0009425800000000, 0.0013524900000000, -0.0009271400000000 ] - [ 0.0026594700000000, -0.0103713200000000, -0.0066968400000000 ] - [ -0.0001318200000000, -0.0000204800000000, -0.0000944800000000 ] - [ -0.0022553500000000, 0.0013087900000000, -0.0015693600000000 ] - [ 0.0002255000000000, 0.0000928100000000, 0.0011289600000000 ]- atom: 65 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0000298700000000, -0.0001836300000000, 0.0006168500000000 ] - [ -0.0004604000000000, 0.0000884200000000, 0.0003888500000000 ] - [ 0.0002432700000000, 0.0001035300000000, -0.0006828200000000 ] - [ 0.0003952800000000, -0.0001127400000000, -0.0003712300000000 ] - [ -0.0000744200000000, -0.0000043000000000, 0.0010445700000000 ] - [ -0.0005307900000000, 0.0001095900000000, -0.0002094100000000 ] - [ 0.0012941500000000, 0.0000179300000000, -0.0004077800000000 ] - [ -0.0001415300000000, -0.0001265300000000, -0.0005233500000000 ] - [ -0.0008307900000000, -0.0003603400000000, 0.0019111800000000 ] - [ -0.0001546100000000, -0.0001744300000000, -0.0000609400000000 ] - [ 0.0005873500000000, 0.0001615500000000, 0.0001565100000000 ] - [ 0.0009443700000000, 0.0001475400000000, -0.0015149700000000 ] - [ -0.0048531700000000, 0.0012194800000000, 0.0023559200000000 ] - [ 0.0005275100000000, 0.0002184900000000, 0.0000651600000000 ] - [ -0.0003764400000000, -0.0000620200000000, 0.0002269100000000 ] - [ 0.0030265700000000, 0.0006616600000000, -0.0027888000000000 ] - [ -0.0012340800000000, 0.0020033000000000, 0.0113018400000000 ] - [ 0.0002062800000000, 0.0002027900000000, -0.0006663400000000 ] - [ 0.0000729400000000, 0.0000239500000000, 0.0004497200000000 ] - [ 0.0008903400000000, 0.0005646400000000, -0.0041278400000000 ] - [ -0.0819041200000000, 0.0095804400000000, 0.0599422000000000 ] - [ 0.0017607900000000, -0.0059837400000000, 0.0092732200000000 ] - [ 0.0000858000000000, 0.0000781900000000, 0.0005164300000000 ] - [ -0.0000658200000000, -0.0008809700000000, -0.0031381200000000 ] - [ 0.0058755100000000, -0.0007504000000000, 0.0015614100000000 ] - [ -0.0000331600000000, 0.0000032000000000, -0.0003081600000000 ] - [ 0.0004265100000000, -0.0000810600000000, 0.0005962800000000 ] - [ -0.0014679000000000, -0.0004893400000000, -0.0040299200000000 ] - [ -0.0543790300000000, -0.0575558900000000, 0.3008647300000000 ] - [ 0.0011721200000000, -0.0003842200000000, -0.0018171900000000 ] - [ -0.0024473700000000, -0.0006447400000000, 0.0030402200000000 ] - [ 0.0007280600000000, -0.0006853400000000, -0.0073699800000000 ] - [ 0.0028370300000000, 0.0001612000000000, -0.0041700400000000 ] - [ 0.0106540400000000, 0.0012932500000000, 0.0014962300000000 ] - [ -0.0019184700000000, 0.0000406200000000, -0.0030673500000000 ] - [ -0.0059032400000000, -0.0032687500000000, -0.0058618700000000 ] - [ 0.0029579400000000, -0.0000287300000000, -0.0079395800000000 ] - [ 0.0039098300000000, 0.0003473700000000, 0.0003835500000000 ] - [ -0.0011329400000000, -0.0000195000000000, -0.0022375700000000 ] - [ 0.0012379900000000, -0.0026004600000000, -0.0071145300000000 ] - [ 0.0006673800000000, 0.0020835000000000, -0.0054009400000000 ] - [ 0.0027651200000000, 0.0016029300000000, 0.0049170100000000 ] - [ -0.0010502100000000, 0.0006122100000000, -0.0025753600000000 ] - [ 0.0507871600000000, 0.0539459300000000, 0.1108664600000000 ] - [ 0.0012378700000000, -0.0015388700000000, -0.0069287600000000 ] - [ 0.0004766400000000, -0.0008472600000000, 0.0052041800000000 ] - [ -0.0000581800000000, -0.0006984800000000, -0.0028783400000000 ] - [ 0.0026811200000000, -0.0401803900000000, 0.0550692600000000 ] - [ 0.0001337200000000, -0.0001414800000000, -0.0053858600000000 ] - [ 0.0009492100000000, 0.0001457200000000, 0.0015886000000000 ] - [ 0.0000945600000000, -0.0001390100000000, -0.0009107000000000 ] - [ -0.0000920200000000, -0.0004562700000000, -0.0004601000000000 ] - [ 0.0005582300000000, 0.0000947000000000, -0.0009995000000000 ] - [ 0.0005545100000000, 0.0001119300000000, -0.0006641800000000 ] - [ -0.0009935600000000, -0.0000789000000000, 0.0006022300000000 ] - [ -0.0006274800000000, -0.0000545900000000, 0.0011219400000000 ] - [ 0.0040201500000000, 0.0003700300000000, -0.0083078500000000 ] - [ -0.0001575200000000, 0.0000588900000000, 0.0006248500000000 ] - [ -0.0003267900000000, -0.0000148900000000, -0.0005510500000000 ] - [ -0.0013582300000000, -0.0000877200000000, 0.0055785900000000 ] - [ -0.0126037900000000, 0.0042911100000000, -0.0197497900000000 ] - [ -0.0001095700000000, 0.0000984400000000, 0.0012886300000000 ] - [ -0.0007376200000000, 0.0001095200000000, -0.0008755500000000 ] - [ 0.0009305100000000, 0.0004932300000000, 0.0065118700000000 ] - [ 0.0857714700000000, 0.0253148300000000, -0.5491753800000000 ] - [ 0.0001604400000000, 0.0000164700000000, 0.0039669400000000 ] - [ -0.0005850700000000, -0.0001675000000000, -0.0063942700000000 ] - [ -0.0012094100000000, 0.0007020200000000, 0.0100804400000000 ] - [ 0.0087565200000000, 0.0153190200000000, 0.0148985700000000 ] - [ 0.0018663800000000, -0.0003496800000000, 0.0043962600000000 ] - [ -0.0077186000000000, -0.0010136000000000, -0.0075041600000000 ] - [ -0.0047938400000000, -0.0005359800000000, 0.0106139100000000 ] - [ 0.0018960500000000, -0.0000243600000000, 0.0012282500000000 ] - [ -0.0006274500000000, -0.0000213400000000, -0.0003193900000000 ] - [ 0.0002109200000000, 0.0000098600000000, 0.0009935700000000 ] - [ -0.0025005500000000, 0.0000433800000000, -0.0014506100000000 ] - [ 0.0135107200000000, -0.0013410800000000, 0.0175087500000000 ] - [ -0.0016738800000000, -0.0000437200000000, -0.0002320400000000 ] - [ 0.0012977500000000, 0.0001301600000000, 0.0002841700000000 ] - [ -0.0112487900000000, -0.0001006700000000, 0.0123515500000000 ] - [ -0.0196529500000000, -0.0003112600000000, -0.0011373600000000 ] - [ -0.0043699800000000, 0.0000779700000000, 0.0039496500000000 ] - [ 0.0105646000000000, -0.0002168600000000, 0.0015000200000000 ] - [ 0.0006492100000000, 0.0001020500000000, 0.0089714900000000 ]- atom: 65 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0002831400000000, 0.0001564800000000, -0.0003678600000000 ] - [ 0.0001445800000000, -0.0001171800000000, -0.0006402900000000 ] - [ -0.0005564500000000, -0.0000767200000000, 0.0004349400000000 ] - [ -0.0000788700000000, 0.0001416700000000, 0.0006222900000000 ] - [ -0.0003014100000000, 0.0001184600000000, -0.0005651200000000 ] - [ 0.0009041200000000, 0.0000047300000000, -0.0002701400000000 ] - [ -0.0009213000000000, -0.0001324700000000, -0.0000672000000000 ] - [ -0.0002306700000000, 0.0000119100000000, 0.0009997000000000 ] - [ 0.0008134600000000, 0.0000328100000000, -0.0020068900000000 ] - [ 0.0001609300000000, -0.0001555800000000, 0.0001547600000000 ] - [ -0.0005780700000000, 0.0001680700000000, -0.0000602000000000 ] - [ -0.0009425700000000, 0.0001819300000000, 0.0014162600000000 ] - [ 0.0049357900000000, -0.0009599300000000, -0.0026666900000000 ] - [ -0.0006119200000000, 0.0000398200000000, 0.0002375200000000 ] - [ 0.0002926500000000, -0.0001957300000000, 0.0000771200000000 ] - [ -0.0029232000000000, -0.0009142700000000, 0.0024818900000000 ] - [ 0.0010879800000000, -0.0017702100000000, -0.0110543100000000 ] - [ -0.0000526500000000, 0.0000291300000000, 0.0003977800000000 ] - [ 0.0000815000000000, -0.0002555200000000, -0.0007157000000000 ] - [ -0.0010355800000000, -0.0007969800000000, 0.0043785500000000 ] - [ 0.0797239100000000, -0.0096241200000000, -0.0605540100000000 ] - [ -0.0016357600000000, 0.0054032200000000, -0.0092499700000000 ] - [ -0.0002284900000000, 0.0005141300000000, -0.0005504600000000 ] - [ 0.0002128100000000, 0.0014706500000000, 0.0031649300000000 ] - [ -0.0060752500000000, 0.0008256500000000, -0.0018138400000000 ] - [ 0.0001829000000000, 0.0000739100000000, 0.0005889200000000 ] - [ -0.0002766100000000, 0.0000039000000000, -0.0003147800000000 ] - [ 0.0013162100000000, 0.0004115200000000, 0.0037358900000000 ] - [ 0.0581897800000000, 0.0626394400000000, -0.3204379800000000 ] - [ -0.0014494400000000, 0.0003491600000000, 0.0021188200000000 ] - [ 0.0021704500000000, 0.0006795500000000, -0.0027324900000000 ] - [ -0.0004529400000000, 0.0007190500000000, 0.0070346400000000 ] - [ -0.0026100000000000, 0.0001869700000000, 0.0039994200000000 ] - [ -0.0109036500000000, -0.0009454500000000, -0.0013420000000000 ] - [ 0.0016818800000000, -0.0003863000000000, 0.0032297700000000 ] - [ 0.0061293200000000, 0.0029667600000000, 0.0057824200000000 ] - [ -0.0035928300000000, 0.0003013100000000, 0.0083650400000000 ] - [ -0.0032765000000000, -0.0000858900000000, -0.0008132300000000 ] - [ 0.0017636000000000, -0.0002430300000000, 0.0018145000000000 ] - [ -0.0019098800000000, 0.0023503500000000, 0.0075542600000000 ] - [ -0.0006192900000000, -0.0016496000000000, 0.0054291600000000 ] - [ -0.0028105700000000, -0.0011739600000000, -0.0049611800000000 ] - [ 0.0009984000000000, -0.0010418700000000, 0.0025310600000000 ] - [ -0.0478063000000000, -0.0518018100000000, -0.1082766100000000 ] - [ -0.0010949900000000, 0.0017565800000000, 0.0065809500000000 ] - [ -0.0006173600000000, 0.0010690500000000, -0.0048715000000000 ] - [ -0.0000862900000000, 0.0004757000000000, 0.0032090200000000 ] - [ -0.0027177700000000, 0.0408952100000000, -0.0561851100000000 ] - [ -0.0005895100000000, 0.0004301200000000, 0.0050921700000000 ] - [ -0.0004841500000000, 0.0001429200000000, -0.0013064800000000 ] - [ 0.0003659500000000, -0.0001498900000000, 0.0011919100000000 ] - [ -0.0000524400000000, -0.0001365300000000, 0.0004239800000000 ] - [ -0.0005194300000000, 0.0000622900000000, 0.0011669800000000 ] - [ -0.0005853700000000, 0.0000451800000000, 0.0005000000000000 ] - [ 0.0009591000000000, -0.0000768600000000, -0.0007726900000000 ] - [ 0.0006530300000000, -0.0001022200000000, -0.0009568000000000 ] - [ -0.0038786300000000, -0.0003239700000000, 0.0082539000000000 ] - [ 0.0000338200000000, 0.0000013000000000, -0.0005579800000000 ] - [ 0.0001999000000000, -0.0000454400000000, 0.0006145500000000 ] - [ 0.0014714000000000, 0.0000304700000000, -0.0056279500000000 ] - [ 0.0130639500000000, -0.0042133200000000, 0.0191492100000000 ] - [ -0.0003359300000000, -0.0000360000000000, -0.0006754600000000 ] - [ 0.0002896300000000, -0.0001719500000000, 0.0014857400000000 ] - [ -0.0004895200000000, -0.0005566100000000, -0.0071005500000000 ] - [ -0.0906162200000000, -0.0342951900000000, 0.5668404800000000 ] - [ 0.0000053900000000, 0.0000015500000000, -0.0038380700000000 ] - [ 0.0007422100000000, 0.0001497400000000, 0.0065165400000000 ] - [ 0.0010409300000000, -0.0007176000000000, -0.0101736200000000 ] - [ -0.0081179900000000, -0.0152745600000000, -0.0150564600000000 ] - [ -0.0022717400000000, 0.0003259100000000, -0.0043179800000000 ] - [ 0.0073083900000000, 0.0010434900000000, 0.0075959000000000 ] - [ 0.0052067600000000, 0.0005600100000000, -0.0106706000000000 ] - [ -0.0018397400000000, -0.0000067100000000, -0.0019811400000000 ] - [ 0.0005732300000000, -0.0000096800000000, 0.0010783500000000 ] - [ -0.0002661800000000, 0.0000212000000000, -0.0002330200000000 ] - [ 0.0025564400000000, -0.0000126700000000, 0.0006793900000000 ] - [ -0.0134445100000000, 0.0011823300000000, -0.0172256000000000 ] - [ 0.0016050500000000, -0.0001341000000000, -0.0000831200000000 ] - [ -0.0013664300000000, 0.0000475800000000, -0.0006027400000000 ] - [ 0.0112012000000000, 0.0002777400000000, -0.0119579300000000 ] - [ 0.0201735400000000, 0.0002320400000000, 0.0012131100000000 ] - [ 0.0039104700000000, -0.0000956400000000, -0.0040141500000000 ] - [ -0.0110118300000000, 0.0002387300000000, -0.0015899200000000 ] - [ -0.0001675400000000, -0.0000841600000000, -0.0088819800000000 ]- atom: 69 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0011825900000000, 0.0005669900000000, -0.0005087700000000 ] - [ -0.0013944800000000, -0.0005737100000000, -0.0008176300000000 ] - [ -0.0019632000000000, 0.0005035600000000, -0.0002142000000000 ] - [ -0.0015227800000000, -0.0004514600000000, -0.0000331400000000 ] - [ -0.0024145800000000, -0.0000469800000000, -0.0001546400000000 ] - [ -0.0014657700000000, 0.0001398000000000, -0.0004562100000000 ] - [ -0.0026523000000000, -0.0002516100000000, -0.0001142700000000 ] - [ -0.0024477100000000, 0.0001162000000000, 0.0005394300000000 ] - [ -0.0034920200000000, -0.0000658300000000, -0.0012871000000000 ] - [ -0.0032836600000000, -0.0001840400000000, -0.0003714400000000 ] - [ -0.0047299300000000, 0.0001499900000000, -0.0001640400000000 ] - [ -0.0044309900000000, 0.0001281600000000, 0.0008459600000000 ] - [ 0.0000255900000000, -0.0000682300000000, -0.0019496800000000 ] - [ -0.0016654100000000, -0.0000036200000000, -0.0000765600000000 ] - [ -0.0025960800000000, 0.0001107700000000, -0.0001463200000000 ] - [ -0.0052595600000000, -0.0010549400000000, 0.0022168300000000 ] - [ -0.0007139200000000, -0.0008679600000000, -0.0028269900000000 ] - [ -0.0010630500000000, 0.0006371000000000, -0.0006069100000000 ] - [ -0.0019692700000000, -0.0007720500000000, -0.0002605100000000 ] - [ -0.0015865700000000, -0.0003753200000000, 0.0037230900000000 ] - [ 0.0060860700000000, -0.0017142500000000, -0.0063811900000000 ] - [ -0.0018254600000000, 0.0008039100000000, -0.0034826900000000 ] - [ -0.0020684400000000, 0.0007345400000000, -0.0003693400000000 ] - [ -0.0003228800000000, 0.0009190200000000, 0.0022465500000000 ] - [ -0.0028762400000000, 0.0000660200000000, -0.0022442500000000 ] - [ -0.0019124400000000, -0.0000459400000000, -0.0004732900000000 ] - [ -0.0024871500000000, -0.0000606100000000, 0.0006216100000000 ] - [ -0.0007336200000000, 0.0000493700000000, 0.0011532200000000 ] - [ 0.0039522600000000, 0.0019941300000000, -0.0005473400000000 ] - [ -0.0000215900000000, -0.0002599100000000, -0.0008244100000000 ] - [ -0.0070697400000000, -0.0008227400000000, 0.0019387900000000 ] - [ 0.0050149200000000, -0.0006461800000000, 0.0067476400000000 ] - [ 0.0029218800000000, -0.0001004000000000, 0.0009171600000000 ] - [ 0.0024465000000000, 0.0004699000000000, 0.0027556700000000 ] - [ 0.0024045900000000, -0.0000031800000000, -0.0072206100000000 ] - [ 0.2298809200000000, 0.0497741100000000, 0.0925360700000000 ] - [ 0.0021487300000000, 0.0000434500000000, 0.0008633100000000 ] - [ -0.0004522000000000, 0.0004115800000000, 0.0019998700000000 ] - [ -0.0013999700000000, -0.0000168700000000, -0.0041555000000000 ] - [ 0.1997398400000000, -0.0100733100000000, -0.1087145400000000 ] - [ 0.0025288400000000, -0.0004775300000000, 0.0023835000000000 ] - [ -0.0006636700000000, 0.0014682600000000, 0.0039661900000000 ] - [ 0.0007694200000000, 0.0012107700000000, -0.0021310800000000 ] - [ 0.0462260500000000, -0.0179499300000000, -0.0034576000000000 ] - [ 0.0028105600000000, 0.0021074300000000, 0.0008348900000000 ] - [ -0.0018295800000000, -0.0004170100000000, 0.0049311900000000 ] - [ -0.0004278300000000, -0.0009337000000000, -0.0024376300000000 ] - [ 0.0384766200000000, -0.0078565400000000, 0.0168341400000000 ] - [ 0.0017477400000000, 0.0005101800000000, 0.0014962800000000 ] - [ -0.0044892700000000, 0.0006170400000000, 0.0015701500000000 ] - [ -0.0016914500000000, -0.0004391800000000, -0.0010607400000000 ] - [ -0.0012510900000000, -0.0007603900000000, -0.0007341100000000 ] - [ 0.0037044400000000, -0.0002043900000000, 0.0013555200000000 ] - [ 0.0032774700000000, 0.0003712400000000, 0.0010487300000000 ] - [ 0.0049139200000000, -0.0003973300000000, 0.0003030000000000 ] - [ 0.0044851300000000, 0.0002426100000000, 0.0003199900000000 ] - [ 0.0029169400000000, -0.0002145900000000, 0.0041742000000000 ] - [ 0.0031183900000000, -0.0002085300000000, 0.0004907300000000 ] - [ 0.0047803000000000, 0.0004196800000000, 0.0001969400000000 ] - [ 0.0045459600000000, -0.0000914900000000, -0.0054188200000000 ] - [ 0.0053550800000000, 0.0005997800000000, 0.0057415100000000 ] - [ 0.0025632900000000, 0.0003872000000000, 0.0016053800000000 ] - [ 0.0048119600000000, -0.0004552300000000, 0.0003603500000000 ] - [ -0.0003366900000000, -0.0001026800000000, -0.0045943100000000 ] - [ -0.0176364100000000, -0.0049390600000000, 0.0057670800000000 ] - [ 0.0013920900000000, 0.0006450000000000, 0.0023530800000000 ] - [ 0.0061860800000000, -0.0003217700000000, -0.0066177700000000 ] - [ -0.0037548200000000, -0.0014288600000000, -0.0056891800000000 ] - [ -0.5116860900000000, -0.0057389200000000, 0.0029134400000000 ] - [ 0.0005274200000000, -0.0009630800000000, 0.0058521800000000 ] - [ -0.0009760500000000, -0.0007215600000000, -0.0067716300000000 ] - [ -0.0034736200000000, 0.0006274100000000, -0.0018579500000000 ] - [ 0.0021513000000000, -0.0000319600000000, -0.0004016400000000 ] - [ 0.0034839900000000, -0.0000159200000000, 0.0007589600000000 ] - [ 0.0032667200000000, 0.0000128900000000, 0.0010248800000000 ] - [ 0.0049782100000000, 0.0000125600000000, 0.0009841000000000 ] - [ -0.0023512200000000, -0.0001140100000000, 0.0006818700000000 ] - [ 0.0021204600000000, -0.0000230100000000, -0.0009087500000000 ] - [ 0.0047305100000000, 0.0000392300000000, 0.0023899900000000 ] - [ 0.0123191400000000, -0.0004746500000000, -0.0069774600000000 ] - [ -0.0056062000000000, 0.0003417300000000, -0.0054193300000000 ] - [ -0.0028468600000000, -0.0000389700000000, -0.0005012000000000 ] - [ 0.0175051700000000, -0.0030932200000000, 0.0034448700000000 ] - [ -0.0242900200000000, -0.0003589500000000, 0.0064924200000000 ]- atom: 69 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0014994700000000, -0.0005970500000000, 0.0007635700000000 ] - [ 0.0010807300000000, 0.0005474200000000, 0.0005713400000000 ] - [ 0.0016495000000000, -0.0004747300000000, -0.0000405700000000 ] - [ 0.0018380300000000, 0.0004787700000000, 0.0002808100000000 ] - [ 0.0020446800000000, 0.0001618700000000, 0.0006343000000000 ] - [ 0.0018375800000000, -0.0000248500000000, -0.0000190900000000 ] - [ 0.0030302500000000, 0.0001374900000000, -0.0003659400000000 ] - [ 0.0020750100000000, -0.0002311500000000, -0.0000639300000000 ] - [ 0.0034942300000000, -0.0002648200000000, 0.0011997200000000 ] - [ 0.0032951100000000, -0.0001457900000000, 0.0004675600000000 ] - [ 0.0047400800000000, 0.0001798300000000, 0.0002573900000000 ] - [ 0.0044197300000000, 0.0002021700000000, -0.0009451900000000 ] - [ 0.0000522600000000, 0.0003271300000000, 0.0016597700000000 ] - [ 0.0015822700000000, 0.0002606900000000, 0.0003847200000000 ] - [ 0.0025126100000000, -0.0003678700000000, 0.0004494600000000 ] - [ 0.0053495100000000, 0.0008023400000000, -0.0025447400000000 ] - [ 0.0005632800000000, 0.0011066000000000, 0.0031168600000000 ] - [ 0.0012183000000000, -0.0004051300000000, 0.0003419300000000 ] - [ 0.0021212300000000, 0.0005380400000000, -0.0000086400000000 ] - [ 0.0014305400000000, 0.0001449200000000, -0.0034686100000000 ] - [ -0.0066052200000000, 0.0014636200000000, 0.0061544200000000 ] - [ 0.0019864300000000, -0.0014018100000000, 0.0035499200000000 ] - [ 0.0019216800000000, -0.0001411200000000, 0.0003311600000000 ] - [ 0.0004605600000000, -0.0003290500000000, -0.0022169800000000 ] - [ 0.0027438700000000, 0.0000124100000000, 0.0019610600000000 ] - [ 0.0020629000000000, 0.0001234600000000, 0.0007542000000000 ] - [ 0.0026339500000000, -0.0000170800000000, -0.0003373400000000 ] - [ 0.0005785800000000, -0.0001270300000000, -0.0014362800000000 ] - [ -0.0037101100000000, -0.0020009200000000, 0.0001766000000000 ] - [ -0.0002497400000000, 0.0002243000000000, 0.0011331100000000 ] - [ 0.0067677000000000, 0.0008577300000000, -0.0016377900000000 ] - [ -0.0047581700000000, 0.0006826900000000, -0.0070518700000000 ] - [ -0.0026972100000000, 0.0004490100000000, -0.0010759300000000 ] - [ -0.0026517300000000, -0.0001188400000000, -0.0025783000000000 ] - [ -0.0025993000000000, -0.0003376800000000, 0.0073712300000000 ] - [ -0.2187752600000000, -0.0465860600000000, -0.0856581100000000 ] - [ -0.0027849200000000, 0.0002184300000000, -0.0004322500000000 ] - [ 0.0010843800000000, -0.0001468800000000, -0.0024149700000000 ] - [ 0.0020442700000000, -0.0002428200000000, 0.0037118400000000 ] - [ -0.2085404700000000, 0.0106762500000000, 0.1170966000000000 ] - [ -0.0024817800000000, 0.0009057300000000, -0.0023299700000000 ] - [ 0.0006084100000000, -0.0010305100000000, -0.0039900700000000 ] - [ -0.0007972400000000, -0.0016377400000000, 0.0020971800000000 ] - [ -0.0464007300000000, 0.0182814300000000, 0.0039250000000000 ] - [ -0.0026762600000000, -0.0018868500000000, -0.0011504900000000 ] - [ 0.0016824000000000, 0.0006356900000000, -0.0045841800000000 ] - [ 0.0002925200000000, 0.0007133700000000, 0.0027742700000000 ] - [ -0.0380576900000000, 0.0070659000000000, -0.0163524600000000 ] - [ -0.0022264200000000, -0.0002239800000000, -0.0017780700000000 ] - [ 0.0049397200000000, -0.0003276400000000, -0.0012822700000000 ] - [ 0.0021633600000000, 0.0001508700000000, 0.0013447600000000 ] - [ 0.0011084700000000, 0.0001687100000000, 0.0006988200000000 ] - [ -0.0036800000000000, 0.0003612000000000, -0.0011957500000000 ] - [ -0.0033117200000000, -0.0002156100000000, -0.0012216400000000 ] - [ -0.0049498000000000, 0.0002407200000000, -0.0004641600000000 ] - [ -0.0044515100000000, -0.0003989600000000, -0.0001479700000000 ] - [ -0.0028004800000000, 0.0002795000000000, -0.0042760900000000 ] - [ -0.0032458300000000, 0.0002687700000000, -0.0004276100000000 ] - [ -0.0049045000000000, -0.0004786400000000, -0.0001265700000000 ] - [ -0.0044125300000000, 0.0000287400000000, 0.0053749200000000 ] - [ -0.0049693000000000, -0.0005434300000000, -0.0063978000000000 ] - [ -0.0030162300000000, -0.0003265300000000, -0.0009961200000000 ] - [ -0.0052492400000000, 0.0003926800000000, 0.0002523900000000 ] - [ 0.0008001200000000, 0.0000411200000000, 0.0039928500000000 ] - [ 0.0177064000000000, 0.0049937300000000, -0.0059140600000000 ] - [ -0.0012440800000000, -0.0006232000000000, -0.0022372900000000 ] - [ -0.0060006000000000, 0.0003073100000000, 0.0067268500000000 ] - [ 0.0036084200000000, 0.0014154300000000, 0.0055467400000000 ] - [ 0.5092014400000000, 0.0011214300000000, -0.0192289000000000 ] - [ -0.0009744700000000, 0.0009316400000000, -0.0057774100000000 ] - [ 0.0005523500000000, 0.0007338400000000, 0.0068153600000000 ] - [ 0.0038904200000000, -0.0006058300000000, 0.0017639800000000 ] - [ -0.0020934200000000, 0.0000009700000000, -0.0003610000000000 ] - [ -0.0035405200000000, -0.0000154600000000, -0.0000012000000000 ] - [ -0.0033222200000000, 0.0000185700000000, -0.0002638600000000 ] - [ -0.0049372600000000, 0.0000190500000000, -0.0017398100000000 ] - [ 0.0024397300000000, -0.0000640900000000, -0.0003676500000000 ] - [ -0.0021876700000000, -0.0001547200000000, 0.0005834700000000 ] - [ -0.0047997400000000, 0.0001384000000000, -0.0026946500000000 ] - [ -0.0122803400000000, 0.0006440700000000, 0.0074108700000000 ] - [ 0.0060246100000000, -0.0003628100000000, 0.0054751200000000 ] - [ 0.0023800000000000, 0.0000206300000000, 0.0004219500000000 ] - [ -0.0178371100000000, 0.0030143000000000, -0.0034042900000000 ] - [ 0.0247037200000000, 0.0003677400000000, -0.0065642100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000547400000000, 0.0000311900000000, 0.0000536900000000 ] - [ -0.0002450900000000, -0.0000633900000000, -0.0002134400000000 ] - [ -0.0002125800000000, 0.0000049200000000, -0.0000622400000000 ] - [ 0.0001139600000000, 0.0000166000000000, 0.0001681600000000 ] - [ -0.0003385100000000, 0.0000497900000000, 0.0002372500000000 ] - [ 0.0001031000000000, 0.0000576700000000, -0.0003004000000000 ] - [ 0.0000036700000000, -0.0000696400000000, -0.0001582500000000 ] - [ -0.0002505700000000, -0.0000542300000000, 0.0002336600000000 ] - [ -0.0003333300000000, -0.0002493900000000, -0.0000967300000000 ] - [ -0.0002037300000000, -0.0001669000000000, -0.0000062300000000 ] - [ -0.0002084000000000, 0.0001580300000000, 0.0000703500000000 ] - [ 0.0000587100000000, 0.0001686000000000, -0.0000863700000000 ] - [ 0.0000077200000000, 0.0000740300000000, -0.0003046700000000 ] - [ -0.0001192300000000, 0.0001289500000000, 0.0000995500000000 ] - [ -0.0001658400000000, -0.0001101300000000, 0.0001677900000000 ] - [ 0.0004025400000000, 0.0000381300000000, -0.0000714400000000 ] - [ -0.0007066000000000, -0.0002160300000000, -0.0008102300000000 ] - [ -0.0000057600000000, 0.0001603700000000, -0.0002097900000000 ] - [ -0.0000199500000000, -0.0001422700000000, -0.0000907800000000 ] - [ -0.0000264800000000, -0.0000787700000000, 0.0002005100000000 ] - [ -0.0085337300000000, -0.0072122400000000, -0.0037064900000000 ] - [ 0.0002422400000000, 0.0002914800000000, -0.0001130000000000 ] - [ -0.0001438900000000, 0.0003049400000000, 0.0000054000000000 ] - [ 0.0002080700000000, 0.0002778300000000, -0.0000109800000000 ] - [ -0.0011768300000000, 0.0003268100000000, 0.0001890700000000 ] - [ -0.0000562700000000, 0.0000314000000000, 0.0001081900000000 ] - [ -0.0000336100000000, -0.0000373200000000, 0.0001630300000000 ] - [ -0.0000397500000000, -0.0000899600000000, -0.0003958800000000 ] - [ -0.0032669700000000, -0.0071457200000000, -0.0089205800000000 ] - [ -0.0002383400000000, -0.0000140200000000, -0.0000730800000000 ] - [ -0.0010252100000000, 0.0004442800000000, 0.0004922200000000 ] - [ 0.0006324700000000, 0.0000232500000000, -0.0000603800000000 ] - [ 0.0001482500000000, 0.0000513300000000, 0.0002205600000000 ] - [ 0.0003934700000000, 0.0000207100000000, -0.0006382300000000 ] - [ -0.0003580700000000, -0.0000576900000000, 0.0003131400000000 ] - [ 0.0483880700000000, 0.0463193300000000, 0.0251223200000000 ] - [ 0.0002099900000000, 0.0000511900000000, -0.0000671000000000 ] - [ 0.0004676300000000, 0.0001456400000000, -0.0002912300000000 ] - [ 0.0001783000000000, -0.0002523000000000, 0.0004852500000000 ] - [ -0.0107139600000000, 0.0383168400000000, 0.0093028300000000 ] - [ 0.0002291800000000, 0.0002178700000000, -0.0002475700000000 ] - [ 0.0002886500000000, 0.0005544500000000, 0.0000644300000000 ] - [ -0.0004913400000000, -0.0002604100000000, -0.0003927400000000 ] - [ -0.0211839400000000, 0.1262966400000000, 0.0430447600000000 ] - [ 0.0005520800000000, 0.0003155800000000, -0.0007839800000000 ] - [ 0.0000647900000000, -0.0002079500000000, 0.0003671600000000 ] - [ -0.0002200700000000, -0.0001280200000000, 0.0000329800000000 ] - [ -0.0108191500000000, 0.0464461500000000, -0.0630036000000000 ] - [ 0.0002974000000000, 0.0002012000000000, -0.0003880100000000 ] - [ 0.0001452000000000, 0.0001086800000000, 0.0003392900000000 ] - [ -0.0000781400000000, -0.0001617200000000, 0.0000630800000000 ] - [ -0.0001651600000000, -0.0003399500000000, -0.0000900100000000 ] - [ 0.0003520300000000, 0.0000605000000000, 0.0002084200000000 ] - [ 0.0001924600000000, 0.0001029300000000, 0.0000599400000000 ] - [ 0.0002053900000000, -0.0000673800000000, -0.0001826100000000 ] - [ 0.0000342200000000, -0.0000686100000000, 0.0000255200000000 ] - [ 0.0001686800000000, 0.0006074400000000, 0.0000886400000000 ] - [ 0.0001425000000000, 0.0000047600000000, 0.0001296300000000 ] - [ 0.0001448400000000, -0.0000046000000000, -0.0000173600000000 ] - [ -0.0000764800000000, -0.0000728400000000, -0.0000103800000000 ] - [ 0.0030580300000000, -0.0018935300000000, 0.0010984600000000 ] - [ 0.0000312100000000, 0.0000751000000000, 0.0004339400000000 ] - [ -0.0000438500000000, -0.0000476500000000, 0.0002325000000000 ] - [ -0.0001959500000000, 0.0000265600000000, -0.0001800800000000 ] - [ 0.0145482000000000, 0.0731332000000000, 0.0173318600000000 ] - [ 0.0005118200000000, -0.0001306000000000, 0.0004700100000000 ] - [ 0.0003334400000000, 0.0001264700000000, -0.0009371100000000 ] - [ -0.0007698400000000, -0.0002843400000000, 0.0003882300000000 ] - [ -0.0043482100000000, -0.3190440500000000, -0.0182784300000000 ] - [ 0.0007415600000000, 0.0002401900000000, 0.0002937300000000 ] - [ -0.0009336300000000, 0.0000352300000000, 0.0001560600000000 ] - [ -0.0004100300000000, 0.0001737800000000, 0.0006567100000000 ] - [ 0.0001211800000000, -0.0000179700000000, -0.0002064600000000 ] - [ 0.0001646200000000, -0.0000145500000000, 0.0003895800000000 ] - [ 0.0001309000000000, 0.0000165400000000, 0.0004255100000000 ] - [ 0.0002547500000000, 0.0000033400000000, -0.0005772800000000 ] - [ 0.0001266400000000, -0.0001776700000000, 0.0010293300000000 ] - [ 0.0000380400000000, -0.0000817200000000, -0.0000588000000000 ] - [ 0.0003078500000000, 0.0000582300000000, -0.0000809400000000 ] - [ 0.0005955100000000, 0.0029946300000000, -0.0016251000000000 ] - [ 0.0011883500000000, -0.0033124300000000, -0.0004775100000000 ] - [ -0.0002016500000000, -0.0000079200000000, 0.0003411900000000 ] - [ -0.0075088800000000, 0.0059472900000000, -0.0050943500000000 ] - [ -0.0007134400000000, -0.0029561700000000, 0.0040159100000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002612800000000, -0.0000600400000000, 0.0001977600000000 ] - [ -0.0000686200000000, 0.0000359100000000, -0.0000353400000000 ] - [ -0.0001008000000000, 0.0000231600000000, -0.0001889800000000 ] - [ 0.0002017700000000, 0.0000118400000000, 0.0000813800000000 ] - [ -0.0000335300000000, 0.0000646100000000, 0.0002423300000000 ] - [ 0.0002715400000000, 0.0000566800000000, -0.0001776200000000 ] - [ 0.0003737200000000, -0.0000443400000000, -0.0003212900000000 ] - [ -0.0001226800000000, -0.0000600400000000, 0.0002446300000000 ] - [ 0.0003296100000000, -0.0000791900000000, 0.0000039900000000 ] - [ 0.0002142500000000, -0.0001629700000000, 0.0001011200000000 ] - [ 0.0002203400000000, 0.0001719200000000, 0.0000245600000000 ] - [ -0.0000665100000000, 0.0001611100000000, -0.0000088400000000 ] - [ 0.0000748200000000, 0.0001850000000000, 0.0000037700000000 ] - [ 0.0000367800000000, 0.0001290400000000, 0.0002048800000000 ] - [ 0.0000832900000000, -0.0001473200000000, 0.0001371700000000 ] - [ -0.0003211800000000, -0.0002939400000000, -0.0002355600000000 ] - [ 0.0005616600000000, 0.0004538800000000, 0.0010941800000000 ] - [ 0.0001601800000000, 0.0000714100000000, -0.0000579000000000 ] - [ 0.0001746400000000, -0.0000896200000000, -0.0001760000000000 ] - [ -0.0001256000000000, -0.0001543700000000, 0.0000626800000000 ] - [ 0.0081688600000000, 0.0069663700000000, 0.0034901000000000 ] - [ -0.0000969000000000, -0.0008948400000000, 0.0001545800000000 ] - [ 0.0000010000000000, 0.0002877900000000, -0.0000409800000000 ] - [ -0.0000647400000000, 0.0003150400000000, 0.0000458100000000 ] - [ 0.0010430100000000, -0.0002536600000000, -0.0004714700000000 ] - [ 0.0002073600000000, 0.0000458400000000, 0.0001729600000000 ] - [ 0.0001853200000000, -0.0000397600000000, 0.0001180400000000 ] - [ -0.0001107600000000, 0.0000132400000000, 0.0001151200000000 ] - [ 0.0035425300000000, 0.0072202200000000, 0.0086314300000000 ] - [ -0.0000378900000000, -0.0000216100000000, 0.0003738700000000 ] - [ 0.0007566900000000, -0.0004154000000000, -0.0001904800000000 ] - [ -0.0003585200000000, 0.0000111500000000, -0.0002526400000000 ] - [ 0.0000759900000000, 0.0002968100000000, -0.0003874000000000 ] - [ -0.0006161500000000, 0.0003277200000000, 0.0008024000000000 ] - [ 0.0001273200000000, -0.0002918100000000, -0.0001616400000000 ] - [ -0.0484242400000000, -0.0474603900000000, -0.0255003700000000 ] - [ -0.0008436400000000, 0.0002126100000000, 0.0004894400000000 ] - [ 0.0001638600000000, 0.0001163600000000, -0.0001336600000000 ] - [ 0.0004500600000000, -0.0000083300000000, -0.0009156800000000 ] - [ 0.0112571600000000, -0.0389425900000000, -0.0098400700000000 ] - [ -0.0001840300000000, 0.0002132800000000, 0.0002865800000000 ] - [ -0.0003334300000000, -0.0001263300000000, -0.0001055600000000 ] - [ 0.0004491100000000, -0.0001666100000000, 0.0003546500000000 ] - [ 0.0229863400000000, -0.1366981000000000, -0.0475845200000000 ] - [ -0.0004140000000000, -0.0000974000000000, 0.0004534100000000 ] - [ -0.0002081800000000, 0.0004322200000000, -0.0000311400000000 ] - [ 0.0000768400000000, -0.0000952300000000, 0.0002978800000000 ] - [ 0.0105991700000000, -0.0462542800000000, 0.0601198500000000 ] - [ -0.0007602600000000, 0.0000868700000000, 0.0001043000000000 ] - [ 0.0003176100000000, 0.0001812900000000, -0.0000581300000000 ] - [ 0.0005404400000000, -0.0001274500000000, 0.0002187800000000 ] - [ 0.0000213700000000, -0.0002525700000000, 0.0000538400000000 ] - [ -0.0003232200000000, 0.0000967300000000, -0.0000451500000000 ] - [ -0.0002276800000000, 0.0000536800000000, -0.0002276700000000 ] - [ -0.0002426900000000, -0.0000893900000000, 0.0000179100000000 ] - [ -0.0000022100000000, -0.0000883700000000, 0.0001413600000000 ] - [ -0.0000446600000000, -0.0005556400000000, -0.0001616800000000 ] - [ -0.0002695700000000, 0.0000555100000000, -0.0000630100000000 ] - [ -0.0002730800000000, -0.0000555200000000, 0.0000826600000000 ] - [ 0.0002021200000000, 0.0000146000000000, -0.0000526000000000 ] - [ -0.0026685700000000, 0.0019878700000000, -0.0017401000000000 ] - [ -0.0004779100000000, -0.0000129600000000, 0.0001788100000000 ] - [ -0.0004040900000000, -0.0000150700000000, 0.0003798300000000 ] - [ 0.0006437400000000, -0.0000906600000000, -0.0004296900000000 ] - [ -0.0147716200000000, -0.0735634400000000, -0.0180897600000000 ] - [ -0.0003496300000000, 0.0001522400000000, -0.0003454100000000 ] - [ -0.0001756100000000, -0.0001479600000000, 0.0010652800000000 ] - [ 0.0006101100000000, 0.0002711800000000, -0.0005089200000000 ] - [ 0.0023935600000000, 0.3300287700000000, 0.0270412600000000 ] - [ -0.0011541200000000, -0.0002705100000000, -0.0002175800000000 ] - [ 0.0005203800000000, -0.0000093500000000, -0.0000831500000000 ] - [ 0.0008245500000000, -0.0001526100000000, -0.0007324900000000 ] - [ -0.0000673000000000, -0.0000130900000000, -0.0005539600000000 ] - [ -0.0002223500000000, -0.0000167500000000, 0.0003692300000000 ] - [ -0.0001872800000000, 0.0000148100000000, 0.0003335200000000 ] - [ -0.0002041000000000, 0.0000280800000000, -0.0001803800000000 ] - [ -0.0000565000000000, 0.0000014400000000, -0.0007164500000000 ] - [ -0.0001055800000000, -0.0000959100000000, -0.0002576400000000 ] - [ -0.0003761100000000, 0.0001197800000000, -0.0002371000000000 ] - [ -0.0006199200000000, -0.0028233200000000, 0.0019916200000000 ] - [ -0.0007433000000000, 0.0033162500000000, 0.0005653400000000 ] - [ -0.0002565500000000, -0.0000103700000000, -0.0004068600000000 ] - [ 0.0072122700000000, -0.0059236100000000, 0.0050723100000000 ] - [ 0.0011746900000000, 0.0029404500000000, -0.0039957900000000 ]- atom: 69 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ -0.0004335500000000, 0.0002522900000000, -0.0002611100000000 ] - [ -0.0006437100000000, -0.0003213800000000, -0.0006915300000000 ] - [ 0.0001511300000000, -0.0002095900000000, 0.0003302600000000 ] - [ 0.0005054100000000, 0.0001709200000000, 0.0004103000000000 ] - [ -0.0008198900000000, -0.0000203900000000, 0.0007208000000000 ] - [ -0.0000358200000000, 0.0000271000000000, -0.0008375400000000 ] - [ 0.0000974200000000, -0.0001020600000000, 0.0004310600000000 ] - [ 0.0001469200000000, -0.0001235000000000, -0.0002099200000000 ] - [ -0.0034116900000000, -0.0002068700000000, -0.0000573400000000 ] - [ -0.0005935100000000, -0.0001971700000000, -0.0003966200000000 ] - [ 0.0000604600000000, 0.0001222800000000, 0.0004448100000000 ] - [ 0.0024898400000000, 0.0001497500000000, -0.0010530200000000 ] - [ -0.0017716300000000, 0.0001461100000000, -0.0020056400000000 ] - [ 0.0001623900000000, 0.0002155600000000, -0.0002493100000000 ] - [ -0.0005182100000000, -0.0000184400000000, 0.0005010900000000 ] - [ 0.0051389800000000, 0.0005639400000000, -0.0010011600000000 ] - [ -0.0030300500000000, -0.0005906600000000, -0.0007351100000000 ] - [ -0.0000747200000000, 0.0003333000000000, -0.0008842700000000 ] - [ -0.0000121100000000, 0.0000160200000000, 0.0006048400000000 ] - [ 0.0015086000000000, 0.0001979100000000, -0.0028782200000000 ] - [ -0.0228969900000000, 0.0064247300000000, 0.0061641500000000 ] - [ -0.0042831100000000, 0.0001255200000000, -0.0003343800000000 ] - [ 0.0000479100000000, 0.0000737700000000, 0.0005940400000000 ] - [ 0.0009279900000000, -0.0003740600000000, -0.0021359200000000 ] - [ -0.0034677900000000, -0.0003777800000000, 0.0048657400000000 ] - [ -0.0002948500000000, 0.0000060100000000, -0.0002156500000000 ] - [ 0.0001550300000000, -0.0000647500000000, 0.0004795900000000 ] - [ 0.0004523000000000, -0.0002914000000000, -0.0031395300000000 ] - [ -0.0028366300000000, 0.0048102400000000, -0.0136851400000000 ] - [ 0.0003473400000000, -0.0003052000000000, -0.0022076900000000 ] - [ -0.0026291800000000, -0.0003272300000000, 0.0033412400000000 ] - [ 0.0022670900000000, -0.0006149000000000, -0.0080497600000000 ] - [ 0.0011759300000000, 0.0004908200000000, -0.0064417000000000 ] - [ 0.0063692500000000, 0.0006495700000000, -0.0011715300000000 ] - [ -0.0056316200000000, 0.0004677000000000, -0.0017216700000000 ] - [ 0.0581867300000000, 0.0163450400000000, 0.0795925800000000 ] - [ 0.0009172000000000, 0.0004090200000000, -0.0062499300000000 ] - [ 0.0029970200000000, 0.0000415200000000, -0.0007467800000000 ] - [ -0.0020769500000000, -0.0002022600000000, 0.0001922000000000 ] - [ -0.1490571500000000, 0.0095979600000000, 0.1486354000000000 ] - [ -0.0002680700000000, 0.0021318500000000, -0.0055675700000000 ] - [ 0.0035881700000000, 0.0008821600000000, 0.0029625900000000 ] - [ -0.0029179700000000, 0.0004643800000000, -0.0030387900000000 ] - [ -0.0098000900000000, 0.0658022900000000, 0.0660573700000000 ] - [ 0.0008998600000000, -0.0015009900000000, -0.0073747900000000 ] - [ 0.0010965800000000, -0.0007966200000000, 0.0037081400000000 ] - [ -0.0009234500000000, -0.0007977800000000, -0.0028331000000000 ] - [ 0.0114880600000000, -0.0622687000000000, 0.1413609200000000 ] - [ 0.0017583500000000, 0.0001151400000000, -0.0043817000000000 ] - [ 0.0012948700000000, 0.0000673800000000, 0.0014559100000000 ] - [ -0.0011056400000000, -0.0002151200000000, -0.0008035000000000 ] - [ -0.0004006900000000, -0.0005712400000000, -0.0006615500000000 ] - [ 0.0024428800000000, 0.0000677300000000, 0.0005497000000000 ] - [ 0.0006787700000000, 0.0002641000000000, 0.0008658100000000 ] - [ -0.0002328200000000, 0.0001073200000000, -0.0009135800000000 ] - [ -0.0017903600000000, -0.0000821300000000, -0.0001991800000000 ] - [ 0.0048720700000000, 0.0005827700000000, 0.0021814700000000 ] - [ 0.0004336600000000, -0.0000364000000000, 0.0010095200000000 ] - [ -0.0000058100000000, -0.0000272100000000, -0.0008974500000000 ] - [ -0.0032239000000000, 0.0001199000000000, 0.0039875900000000 ] - [ 0.0132356600000000, -0.0004041700000000, -0.0019731200000000 ] - [ 0.0007504100000000, 0.0002089400000000, 0.0015375800000000 ] - [ -0.0006983100000000, 0.0000979900000000, -0.0009352600000000 ] - [ -0.0016735400000000, 0.0001525700000000, 0.0046419100000000 ] - [ 0.0256324900000000, -0.0221282500000000, 0.0175410600000000 ] - [ 0.0018506400000000, -0.0001443900000000, 0.0043769200000000 ] - [ -0.0018549500000000, -0.0000292500000000, -0.0066220000000000 ] - [ -0.0019335200000000, 0.0005877400000000, 0.0110712600000000 ] - [ 0.0925525100000000, -0.0242734500000000, -0.4742731100000000 ] - [ 0.0054483900000000, -0.0001209500000000, 0.0035611600000000 ] - [ -0.0068002800000000, 0.0002394000000000, -0.0030106000000000 ] - [ -0.0010336400000000, -0.0007657200000000, 0.0103764100000000 ] - [ 0.0003858400000000, -0.0000301900000000, 0.0018857700000000 ] - [ 0.0001827700000000, -0.0000079600000000, -0.0000639500000000 ] - [ 0.0002202800000000, 0.0000231200000000, 0.0008868800000000 ] - [ -0.0001374300000000, -0.0000404200000000, -0.0035689500000000 ] - [ 0.0033821100000000, -0.0002048900000000, 0.0083853100000000 ] - [ -0.0010681000000000, -0.0000472800000000, 0.0005445200000000 ] - [ 0.0015145300000000, 0.0001054100000000, -0.0004345000000000 ] - [ -0.0120808700000000, 0.0007938100000000, -0.0047167900000000 ] - [ -0.0128121200000000, 0.0007966200000000, 0.0177119700000000 ] - [ -0.0024427200000000, 0.0000909400000000, 0.0045314700000000 ] - [ 0.0015137700000000, -0.0001193200000000, -0.0111793600000000 ] - [ 0.0083958400000000, 0.0036214200000000, 0.0323099700000000 ]- atom: 69 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ 0.0007465900000000, -0.0002779700000000, 0.0005109200000000 ] - [ 0.0003286800000000, 0.0002937700000000, 0.0004374500000000 ] - [ -0.0004676600000000, 0.0002362500000000, -0.0005805700000000 ] - [ -0.0001930700000000, -0.0001438700000000, -0.0001571200000000 ] - [ 0.0004422600000000, 0.0001343800000000, -0.0002437400000000 ] - [ 0.0004095700000000, 0.0000870400000000, 0.0003587700000000 ] - [ 0.0002732100000000, -0.0000123200000000, -0.0009093900000000 ] - [ -0.0005251500000000, 0.0000101100000000, 0.0006911200000000 ] - [ 0.0034038200000000, -0.0001238000000000, -0.0000394100000000 ] - [ 0.0005956500000000, -0.0001337800000000, 0.0004889100000000 ] - [ -0.0000571100000000, 0.0002087000000000, -0.0003513200000000 ] - [ -0.0025032000000000, 0.0001806900000000, 0.0009661800000000 ] - [ 0.0018593800000000, 0.0001121800000000, 0.0017017700000000 ] - [ -0.0002477900000000, 0.0000440800000000, 0.0005456500000000 ] - [ 0.0004344500000000, -0.0002406600000000, -0.0002006200000000 ] - [ -0.0050768900000000, -0.0008227000000000, 0.0007144000000000 ] - [ 0.0028784200000000, 0.0008219400000000, 0.0009900600000000 ] - [ 0.0002253000000000, -0.0000995400000000, 0.0006172700000000 ] - [ 0.0001654400000000, -0.0002494100000000, -0.0008697400000000 ] - [ -0.0016609000000000, -0.0004355400000000, 0.0031606100000000 ] - [ 0.0224552400000000, -0.0067454000000000, -0.0064484800000000 ] - [ 0.0044312800000000, -0.0007145500000000, 0.0003591000000000 ] - [ -0.0001914100000000, 0.0005194500000000, -0.0006300600000000 ] - [ -0.0007781100000000, 0.0009713200000000, 0.0021840400000000 ] - [ 0.0033103800000000, 0.0004532000000000, -0.0051512100000000 ] - [ 0.0004414700000000, 0.0000710400000000, 0.0004983200000000 ] - [ -0.0000055700000000, -0.0000118800000000, -0.0002008900000000 ] - [ -0.0005983300000000, 0.0002149600000000, 0.0028643800000000 ] - [ 0.0031302500000000, -0.0047662900000000, 0.0133189800000000 ] - [ -0.0006315300000000, 0.0002701800000000, 0.0025040600000000 ] - [ 0.0023718800000000, 0.0003651700000000, -0.0030456300000000 ] - [ -0.0019551400000000, 0.0006472900000000, 0.0077354000000000 ] - [ -0.0009529400000000, -0.0001446400000000, 0.0062873300000000 ] - [ -0.0066120300000000, -0.0003042200000000, 0.0013232300000000 ] - [ 0.0053600500000000, -0.0008087800000000, 0.0018898500000000 ] - [ -0.0572273200000000, -0.0164879900000000, -0.0802182400000000 ] - [ -0.0015369500000000, -0.0001461700000000, 0.0066754000000000 ] - [ -0.0023719600000000, 0.0002210000000000, 0.0003146800000000 ] - [ 0.0026933900000000, -0.0000615500000000, -0.0005961600000000 ] - [ 0.1405003200000000, -0.0091461000000000, -0.1437850700000000 ] - [ 0.0003208000000000, -0.0017015000000000, 0.0056046800000000 ] - [ -0.0036457700000000, -0.0004558600000000, -0.0030207400000000 ] - [ 0.0028487200000000, -0.0008948000000000, 0.0029887300000000 ] - [ 0.0100152600000000, -0.0675030000000000, -0.0658922800000000 ] - [ -0.0007452900000000, 0.0017289300000000, 0.0070228800000000 ] - [ -0.0012379800000000, 0.0010245600000000, -0.0033906600000000 ] - [ 0.0007715500000000, 0.0005713900000000, 0.0031655900000000 ] - [ -0.0128256400000000, 0.0671666300000000, -0.1494977700000000 ] - [ -0.0021945400000000, 0.0001774200000000, 0.0041050800000000 ] - [ -0.0008321800000000, 0.0002223400000000, -0.0011855000000000 ] - [ 0.0015539300000000, -0.0000754900000000, 0.0010812300000000 ] - [ 0.0002534300000000, -0.0000222500000000, 0.0006244900000000 ] - [ -0.0024088400000000, 0.0000880600000000, -0.0003787500000000 ] - [ -0.0007063500000000, -0.0001075800000000, -0.0010301300000000 ] - [ 0.0002066800000000, -0.0002639400000000, 0.0007446400000000 ] - [ 0.0018281300000000, -0.0000739100000000, 0.0003636700000000 ] - [ -0.0047472000000000, -0.0005226700000000, -0.0022388800000000 ] - [ -0.0005535800000000, 0.0000951000000000, -0.0009389000000000 ] - [ -0.0001178000000000, -0.0000322300000000, 0.0009633000000000 ] - [ 0.0033543300000000, -0.0001773400000000, -0.0040837400000000 ] - [ -0.0128007500000000, 0.0004688900000000, 0.0013805600000000 ] - [ -0.0011838000000000, -0.0001453500000000, -0.0009245000000000 ] - [ 0.0002540500000000, -0.0001618100000000, 0.0015493700000000 ] - [ 0.0020962600000000, -0.0002177300000000, -0.0052736600000000 ] - [ -0.0259268900000000, 0.0221293000000000, -0.0177092500000000 ] - [ -0.0016677000000000, 0.0001614100000000, -0.0042421300000000 ] - [ 0.0020134900000000, 0.0000135800000000, 0.0067757100000000 ] - [ 0.0017423500000000, -0.0006115900000000, -0.0111781800000000 ] - [ -0.0835746300000000, 0.0193472700000000, 0.4777089400000000 ] - [ -0.0058146600000000, 0.0000986600000000, -0.0034903300000000 ] - [ 0.0064050300000000, -0.0002166600000000, 0.0031109200000000 ] - [ 0.0014345300000000, 0.0007939100000000, -0.0104398800000000 ] - [ -0.0003319800000000, -0.0000005600000000, -0.0026456000000000 ] - [ -0.0002340200000000, -0.0000230600000000, 0.0008256800000000 ] - [ -0.0002716500000000, 0.0000079100000000, -0.0001299000000000 ] - [ 0.0002042500000000, 0.0000715200000000, 0.0028168700000000 ] - [ -0.0033295800000000, 0.0000281000000000, -0.0080632700000000 ] - [ 0.0010072800000000, -0.0001295100000000, -0.0008546400000000 ] - [ -0.0015801100000000, 0.0000713300000000, 0.0001075200000000 ] - [ 0.0121171800000000, -0.0006210400000000, 0.0049760300000000 ] - [ 0.0133133300000000, -0.0008086300000000, -0.0177312100000000 ] - [ 0.0019968800000000, -0.0001098400000000, -0.0045923900000000 ] - [ -0.0020146900000000, 0.0001540700000000, 0.0110547000000000 ] - [ -0.0078557900000000, -0.0035296300000000, -0.0317485200000000 ]- atom: 73 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0000387300000000, -0.0023677100000000, 0.0072632200000000 ] - [ 0.0017957300000000, 0.0025873700000000, 0.0077056900000000 ] - [ 0.0032876600000000, -0.0002175000000000, -0.0023474500000000 ] - [ 0.0037462300000000, -0.0007536600000000, -0.0028637900000000 ] - [ 0.0010364800000000, 0.0001218900000000, 0.0048623300000000 ] - [ 0.0100962000000000, -0.0038651400000000, 0.0000929100000000 ] - [ 0.0025091100000000, 0.0001801300000000, -0.0006485400000000 ] - [ 0.0055773600000000, -0.0006737100000000, -0.0059403500000000 ] - [ 0.0125215100000000, -0.0003113500000000, 0.0013116100000000 ] - [ -0.0072740200000000, -0.0004249100000000, 0.0013706600000000 ] - [ 0.0005707100000000, 0.0000507500000000, -0.0003651100000000 ] - [ 0.0160059500000000, -0.0001354200000000, 0.0009302500000000 ] - [ 0.0094175500000000, -0.0002711600000000, -0.0007671800000000 ] - [ -0.0024571200000000, -0.0002286700000000, 0.0017613900000000 ] - [ -0.0015939200000000, -0.0001073300000000, -0.0020306400000000 ] - [ 0.0024379800000000, -0.0002452000000000, 0.0044751100000000 ] - [ 0.0023631300000000, -0.0007699800000000, -0.0035805500000000 ] - [ -0.0023325300000000, 0.0007514400000000, 0.0000776200000000 ] - [ -0.0005617400000000, -0.0005397900000000, -0.0008698400000000 ] - [ -0.0000361500000000, -0.0025202800000000, 0.0065012400000000 ] - [ -0.0000283400000000, -0.0001902300000000, -0.0005478000000000 ] - [ 0.0019707300000000, -0.0000839700000000, -0.0029697000000000 ] - [ -0.0007782200000000, 0.0005953800000000, -0.0007372400000000 ] - [ -0.0021843900000000, 0.0013298800000000, 0.0091996100000000 ] - [ 0.0025063700000000, 0.0001900800000000, -0.0005580700000000 ] - [ -0.0037074900000000, 0.0000353700000000, -0.0003717000000000 ] - [ -0.0010796600000000, 0.0000079100000000, 0.0003541500000000 ] - [ 0.0093102800000000, 0.0017610900000000, 0.0006074900000000 ] - [ -0.0013972500000000, 0.0000285000000000, -0.0024860700000000 ] - [ -0.0024737900000000, 0.0001356400000000, 0.0000877000000000 ] - [ -0.0018497100000000, -0.0000454200000000, -0.0005408700000000 ] - [ -0.0021478900000000, 0.0002375300000000, 0.0013935100000000 ] - [ -0.0031832700000000, 0.0004980400000000, -0.0008051500000000 ] - [ -0.0025890700000000, -0.0000523300000000, -0.0005024400000000 ] - [ -0.0027144400000000, 0.0000686000000000, -0.0002695700000000 ] - [ -0.0017795900000000, -0.0003310100000000, -0.0002668800000000 ] - [ -0.0042600600000000, 0.0000478600000000, -0.0004621600000000 ] - [ -0.0021013200000000, 0.0001720000000000, -0.0002678400000000 ] - [ -0.0021022100000000, -0.0001638200000000, -0.0003982600000000 ] - [ -0.0015642000000000, -0.0001070800000000, 0.0004366400000000 ] - [ -0.0027146000000000, 0.0005206100000000, -0.0005888700000000 ] - [ -0.0017780300000000, -0.0000545100000000, -0.0008667300000000 ] - [ -0.0021030700000000, 0.0000944900000000, -0.0007865400000000 ] - [ -0.0010344700000000, -0.0004291800000000, -0.0008971200000000 ] - [ -0.0022121800000000, -0.0005045900000000, -0.0000903900000000 ] - [ -0.0012896900000000, 0.0005945400000000, -0.0003322000000000 ] - [ -0.0017125200000000, -0.0006928300000000, -0.0001358200000000 ] - [ -0.0005100000000000, 0.0002863800000000, -0.0009236300000000 ] - [ -0.0070505500000000, -0.0005472800000000, 0.0008197100000000 ] - [ -0.0024324600000000, 0.0003668300000000, 0.0000147400000000 ] - [ -0.0043664900000000, -0.0006105900000000, -0.0002266800000000 ] - [ -0.0024074700000000, -0.0008033600000000, -0.0002844200000000 ] - [ -0.0082233000000000, -0.0013040100000000, -0.0158620800000000 ] - [ 0.0131763700000000, 0.0047537600000000, -0.0139030000000000 ] - [ -0.0021546300000000, 0.0001488700000000, 0.0024508900000000 ] - [ -0.0180972900000000, 0.0017091400000000, 0.0092881300000000 ] - [ -0.0123413000000000, 0.0016626800000000, 0.0111143300000000 ] - [ 0.0069624600000000, -0.0001847000000000, -0.0015793400000000 ] - [ 0.0003131500000000, 0.0003367700000000, 0.0020196900000000 ] - [ -0.0088274600000000, -0.0010698900000000, -0.0139795100000000 ] - [ -0.0019997200000000, -0.0001791500000000, 0.0024782100000000 ] - [ 0.0054574700000000, 0.0005133400000000, 0.0007878400000000 ] - [ 0.0022704100000000, -0.0002940700000000, 0.0010677300000000 ] - [ 0.0141026200000000, 0.0052952400000000, -0.0118742300000000 ] - [ 0.0006752300000000, -0.0002151300000000, 0.0019485300000000 ] - [ 0.0047204000000000, 0.0003089600000000, 0.0001608200000000 ] - [ 0.0031662500000000, -0.0002262600000000, 0.0007719200000000 ] - [ 0.0067106100000000, 0.0002387800000000, -0.0015856200000000 ] - [ 0.0023304200000000, 0.0000819800000000, 0.0006490800000000 ] - [ 0.0032999800000000, -0.0002057200000000, 0.0007839300000000 ] - [ 0.0030833800000000, 0.0001716600000000, 0.0007911100000000 ] - [ 0.0051714000000000, -0.0002164600000000, 0.0005408700000000 ] - [ -0.0555718400000000, -0.0029589600000000, 0.0004922200000000 ] - [ 0.0009055100000000, -0.0000555100000000, -0.0017979200000000 ] - [ 0.0075481900000000, -0.0001448800000000, 0.0068814700000000 ] - [ -0.0053852600000000, 0.0000655700000000, -0.0024757400000000 ] - [ 0.0072708200000000, -0.0008740800000000, 0.0074342500000000 ] - [ 0.0033332100000000, -0.0000410100000000, -0.0005974000000000 ] - [ 0.0032521000000000, 0.0000631400000000, 0.0013520700000000 ] - [ 0.0008413200000000, 0.0000747500000000, -0.0024285400000000 ] - [ 0.0032625300000000, 0.0000275000000000, 0.0014311200000000 ] - [ 0.0034915300000000, -0.0000863400000000, 0.0003033900000000 ] - [ 0.0024318000000000, 0.0000650800000000, 0.0003654100000000 ] - [ 0.0035173100000000, -0.0000753800000000, -0.0005656000000000 ]- atom: 73 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0003462300000000, 0.0023431000000000, -0.0070182100000000 ] - [ -0.0022638000000000, -0.0026484100000000, -0.0078340200000000 ] - [ -0.0036136500000000, 0.0002534800000000, 0.0020869000000000 ] - [ -0.0034489500000000, 0.0007781500000000, 0.0031138300000000 ] - [ -0.0014154900000000, -0.0000066500000000, -0.0043838500000000 ] - [ -0.0099539600000000, 0.0040819500000000, -0.0004907300000000 ] - [ -0.0021387900000000, -0.0002941000000000, 0.0001660300000000 ] - [ -0.0061008400000000, 0.0005657800000000, 0.0062963800000000 ] - [ -0.0125403500000000, -0.0000204000000000, -0.0014047200000000 ] - [ 0.0072724500000000, 0.0000987500000000, -0.0012845600000000 ] - [ -0.0005761300000000, 0.0002794500000000, 0.0004581700000000 ] - [ -0.0159982400000000, 0.0004601600000000, -0.0010831000000000 ] - [ -0.0091741700000000, 0.0005230000000000, 0.0007076400000000 ] - [ 0.0023718700000000, 0.0004857800000000, -0.0014615800000000 ] - [ 0.0015069500000000, -0.0001482700000000, 0.0023456000000000 ] - [ -0.0023344500000000, -0.0000074800000000, -0.0047827400000000 ] - [ -0.0025111300000000, 0.0010066800000000, 0.0038499100000000 ] - [ 0.0024887200000000, -0.0005173900000000, -0.0003495400000000 ] - [ 0.0007122200000000, 0.0003064900000000, 0.0006039500000000 ] - [ -0.0000991600000000, 0.0022776400000000, -0.0062265800000000 ] - [ -0.0004213800000000, -0.0000991900000000, 0.0002624400000000 ] - [ -0.0018237500000000, -0.0005129600000000, 0.0030190200000000 ] - [ 0.0006304900000000, -0.0000016900000000, 0.0007015200000000 ] - [ 0.0023716900000000, -0.0007325800000000, -0.0091436700000000 ] - [ -0.0026526100000000, -0.0001140400000000, 0.0002776900000000 ] - [ 0.0038678100000000, 0.0000414200000000, 0.0006573700000000 ] - [ 0.0012239500000000, -0.0000852800000000, -0.0000730500000000 ] - [ -0.0092211700000000, -0.0018014300000000, -0.0009498300000000 ] - [ 0.0016774300000000, -0.0000634600000000, 0.0021771600000000 ] - [ 0.0021968800000000, -0.0001709500000000, 0.0002139400000000 ] - [ 0.0015724400000000, 0.0000809200000000, 0.0008443700000000 ] - [ 0.0024272500000000, -0.0002018700000000, -0.0016902500000000 ] - [ 0.0034043800000000, -0.0001498800000000, 0.0006407200000000 ] - [ 0.0023660100000000, 0.0004006100000000, 0.0006655000000000 ] - [ 0.0024929400000000, -0.0004168700000000, 0.0004354200000000 ] - [ 0.0020054900000000, -0.0000171200000000, 0.0001037200000000 ] - [ 0.0036180600000000, 0.0002140400000000, 0.0008862100000000 ] - [ 0.0027345900000000, 0.0000902900000000, -0.0001611700000000 ] - [ 0.0027362100000000, -0.0000986200000000, -0.0000273700000000 ] - [ 0.0009362900000000, -0.0001555700000000, -0.0000087900000000 ] - [ 0.0027630600000000, -0.0000923500000000, 0.0006335400000000 ] - [ 0.0017283700000000, 0.0004838900000000, 0.0008243500000000 ] - [ 0.0020563000000000, -0.0005243600000000, 0.0007465700000000 ] - [ 0.0010854800000000, 0.0000000900000000, 0.0009377800000000 ] - [ 0.0023543600000000, 0.0007275200000000, -0.0002383900000000 ] - [ 0.0011453200000000, -0.0003733100000000, 0.0006628500000000 ] - [ 0.0015698600000000, 0.0004723800000000, 0.0004689200000000 ] - [ 0.0006574200000000, -0.0005092300000000, 0.0005899300000000 ] - [ 0.0066024700000000, 0.0008360200000000, -0.0010989400000000 ] - [ 0.0028892100000000, -0.0000779700000000, 0.0002705600000000 ] - [ 0.0048324800000000, 0.0003233600000000, 0.0005128100000000 ] - [ 0.0022645900000000, 0.0002095600000000, 0.0002448900000000 ] - [ 0.0082745400000000, 0.0014623300000000, 0.0160537200000000 ] - [ -0.0132138900000000, -0.0046585700000000, 0.0138103100000000 ] - [ 0.0021336300000000, -0.0003093100000000, -0.0026050500000000 ] - [ 0.0182237700000000, -0.0018673200000000, -0.0091030600000000 ] - [ 0.0124556100000000, -0.0016044000000000, -0.0111881000000000 ] - [ -0.0070935200000000, 0.0002441800000000, 0.0016533500000000 ] - [ -0.0004228500000000, -0.0003979500000000, -0.0019619800000000 ] - [ 0.0088626500000000, 0.0009979000000000, 0.0138735100000000 ] - [ 0.0024367300000000, 0.0002449800000000, -0.0030967600000000 ] - [ -0.0059158800000000, -0.0004505400000000, -0.0001703000000000 ] - [ -0.0027120200000000, 0.0002317200000000, -0.0004550400000000 ] - [ -0.0136523100000000, -0.0052870200000000, 0.0112114900000000 ] - [ -0.0008534400000000, 0.0002334900000000, -0.0020678800000000 ] - [ -0.0045573800000000, -0.0002907500000000, -0.0000368200000000 ] - [ -0.0029968200000000, 0.0002077500000000, -0.0006469400000000 ] - [ -0.0068734600000000, -0.0002589700000000, 0.0014526400000000 ] - [ -0.0019196100000000, -0.0001052500000000, -0.0007233400000000 ] - [ -0.0037183900000000, 0.0001828800000000, -0.0007109800000000 ] - [ -0.0034994200000000, -0.0001481900000000, -0.0007140400000000 ] - [ -0.0047485400000000, 0.0002405700000000, -0.0006218600000000 ] - [ 0.0557093500000000, 0.0028282300000000, -0.0015094200000000 ] - [ -0.0009519200000000, 0.0000240100000000, 0.0025642200000000 ] - [ -0.0076249800000000, 0.0001779900000000, -0.0061606300000000 ] - [ 0.0054393000000000, -0.0000342300000000, 0.0017205500000000 ] - [ -0.0071916200000000, 0.0006872800000000, -0.0070802200000000 ] - [ -0.0033987200000000, -0.0001373800000000, 0.0002852100000000 ] - [ -0.0033186900000000, 0.0001150600000000, -0.0016737300000000 ] - [ -0.0007847100000000, 0.0001036400000000, 0.0027408200000000 ] - [ -0.0028056800000000, -0.0000455300000000, -0.0013610700000000 ] - [ -0.0039498900000000, 0.0000685600000000, -0.0003684900000000 ] - [ -0.0028920400000000, -0.0000474300000000, -0.0004323500000000 ] - [ -0.0030610600000000, 0.0000931800000000, 0.0006276600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005137700000000, 0.0000414600000000, -0.0001424200000000 ] - [ -0.0005748900000000, 0.0013125800000000, 0.0004438400000000 ] - [ -0.0003104300000000, 0.0001156100000000, -0.0003457400000000 ] - [ -0.0000172300000000, -0.0000244400000000, 0.0001530900000000 ] - [ -0.0001975500000000, 0.0001803000000000, 0.0005015000000000 ] - [ -0.0031714600000000, 0.0036247500000000, 0.0005410500000000 ] - [ 0.0001846200000000, -0.0000516300000000, -0.0002626800000000 ] - [ -0.0006097300000000, 0.0029821700000000, 0.0001616800000000 ] - [ 0.0000851600000000, 0.0002999100000000, -0.0001791600000000 ] - [ 0.0003892500000000, -0.0003135900000000, -0.0001694000000000 ] - [ -0.0001044700000000, 0.0001771000000000, 0.0000225700000000 ] - [ 0.0000848200000000, 0.0020991900000000, -0.0001617000000000 ] - [ -0.0000292600000000, 0.0028534300000000, -0.0000636500000000 ] - [ -0.0000173500000000, 0.0001354700000000, 0.0000931000000000 ] - [ -0.0000474700000000, -0.0001163600000000, 0.0002208400000000 ] - [ 0.0003352300000000, -0.0001057200000000, -0.0001186800000000 ] - [ -0.0001403000000000, 0.0002869000000000, 0.0002870500000000 ] - [ 0.0000962900000000, 0.0001019800000000, -0.0001508700000000 ] - [ 0.0000529600000000, -0.0001171700000000, -0.0001208900000000 ] - [ 0.0000100500000000, -0.0003725800000000, 0.0005714900000000 ] - [ -0.0001946000000000, -0.0001517000000000, -0.0001380000000000 ] - [ 0.0000531000000000, -0.0003212700000000, 0.0000072000000000 ] - [ -0.0000939700000000, 0.0002995900000000, -0.0000111900000000 ] - [ -0.0002297800000000, 0.0012226300000000, 0.0006521100000000 ] - [ -0.0000591000000000, 0.0000305600000000, -0.0001248600000000 ] - [ 0.0001029300000000, 0.0000554000000000, 0.0001533900000000 ] - [ 0.0000430400000000, -0.0000396100000000, 0.0001362500000000 ] - [ 0.0017561000000000, 0.0029385700000000, -0.0007343200000000 ] - [ 0.0001581600000000, -0.0000096100000000, -0.0001495300000000 ] - [ -0.0001373600000000, -0.0000177400000000, 0.0001433400000000 ] - [ -0.0001409300000000, 0.0000173900000000, 0.0001580700000000 ] - [ 0.0001186900000000, 0.0000149200000000, -0.0001045100000000 ] - [ 0.0001084300000000, 0.0001753600000000, -0.0001021300000000 ] - [ -0.0001050600000000, 0.0001742100000000, 0.0000742500000000 ] - [ -0.0001145500000000, -0.0001740600000000, 0.0000898200000000 ] - [ 0.0001209400000000, -0.0001725300000000, -0.0000682100000000 ] - [ -0.0002907800000000, 0.0001502700000000, 0.0001743700000000 ] - [ 0.0003158400000000, 0.0001308500000000, -0.0002208400000000 ] - [ 0.0003138200000000, -0.0001315400000000, -0.0002039900000000 ] - [ -0.0002969000000000, -0.0001306400000000, 0.0002291500000000 ] - [ -0.0000132500000000, 0.0002284900000000, -0.0000067000000000 ] - [ -0.0000258700000000, 0.0002133400000000, -0.0000226700000000 ] - [ -0.0000218000000000, -0.0002164600000000, -0.0000175800000000 ] - [ 0.0000368100000000, -0.0002102000000000, 0.0000316500000000 ] - [ 0.0000442400000000, 0.0001015400000000, -0.0001866900000000 ] - [ -0.0000746600000000, 0.0001125000000000, 0.0001642300000000 ] - [ -0.0000688500000000, -0.0001092200000000, 0.0001683000000000 ] - [ 0.0000852900000000, -0.0001170100000000, -0.0001586000000000 ] - [ -0.0005693900000000, 0.0001495600000000, -0.0001525500000000 ] - [ 0.0002091200000000, 0.0001472400000000, 0.0001366500000000 ] - [ 0.0002498300000000, -0.0001407000000000, 0.0001444700000000 ] - [ -0.0000467600000000, -0.0002885500000000, -0.0000218600000000 ] - [ -0.0007800300000000, -0.0015371700000000, -0.0001538200000000 ] - [ 0.0030251200000000, 0.0057998600000000, -0.0012710200000000 ] - [ 0.0000082900000000, -0.0001231700000000, -0.0000475900000000 ] - [ 0.0014102900000000, -0.0017731700000000, 0.0018135300000000 ] - [ 0.0006673200000000, -0.0007316700000000, 0.0006023200000000 ] - [ -0.0001181200000000, 0.0000542200000000, 0.0000773300000000 ] - [ 0.0000386500000000, -0.0000367500000000, -0.0000149500000000 ] - [ -0.0017213200000000, -0.0009744000000000, 0.0003185300000000 ] - [ 0.0001531300000000, 0.0000786200000000, -0.0003268700000000 ] - [ -0.0002597000000000, 0.0000118800000000, 0.0003187900000000 ] - [ -0.0001881500000000, -0.0000324100000000, 0.0003056700000000 ] - [ 0.0037163600000000, 0.0035864100000000, -0.0020854600000000 ] - [ -0.0001208400000000, 0.0000138500000000, -0.0000762400000000 ] - [ 0.0000691600000000, 0.0000086500000000, 0.0000666500000000 ] - [ 0.0000968000000000, -0.0000101200000000, 0.0000601900000000 ] - [ 0.0000086200000000, 0.0000142700000000, -0.0000820700000000 ] - [ 0.0001877500000000, -0.0000137200000000, -0.0000548400000000 ] - [ -0.0002048200000000, -0.0000104000000000, 0.0000281200000000 ] - [ -0.0002080800000000, 0.0000127000000000, 0.0000447400000000 ] - [ 0.0002084200000000, -0.0000021000000000, 0.0000232800000000 ] - [ -0.0028371600000000, -0.0241292900000000, -0.0008453600000000 ] - [ 0.0000135000000000, -0.0000018000000000, 0.0004366900000000 ] - [ -0.0002027300000000, 0.0013689300000000, 0.0001192500000000 ] - [ -0.0000225500000000, 0.0000136200000000, -0.0003278200000000 ] - [ -0.0006310000000000, 0.0012790800000000, -0.0000130700000000 ] - [ -0.0000275300000000, -0.0000899200000000, -0.0001324200000000 ] - [ -0.0000341600000000, 0.0000896800000000, -0.0001865200000000 ] - [ -0.0000063400000000, 0.0000943900000000, 0.0000914100000000 ] - [ 0.0002077600000000, -0.0000097700000000, 0.0000491300000000 ] - [ -0.0002232500000000, -0.0000086800000000, -0.0000196600000000 ] - [ -0.0002328000000000, 0.0000094900000000, -0.0000443600000000 ] - [ 0.0002426600000000, 0.0000079100000000, 0.0000063800000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001831600000000, -0.0000566300000000, 0.0003441800000000 ] - [ 0.0002388200000000, -0.0013938600000000, -0.0006872200000000 ] - [ -0.0000063400000000, -0.0000790900000000, 0.0000760700000000 ] - [ 0.0003305600000000, 0.0000382800000000, 0.0000977800000000 ] - [ -0.0001833900000000, -0.0000594000000000, -0.0000207100000000 ] - [ 0.0031295800000000, -0.0033585600000000, -0.0008947300000000 ] - [ 0.0001884000000000, -0.0000605900000000, -0.0002207100000000 ] - [ 0.0002038300000000, -0.0030941100000000, 0.0002933500000000 ] - [ -0.0001126900000000, -0.0006215100000000, 0.0000972900000000 ] - [ -0.0003284900000000, -0.0000317100000000, 0.0002474000000000 ] - [ 0.0001044300000000, 0.0001546200000000, 0.0000697800000000 ] - [ -0.0000661300000000, -0.0017795400000000, 0.0000379700000000 ] - [ 0.0001199400000000, -0.0025963400000000, -0.0002384100000000 ] - [ -0.0000628700000000, 0.0001231200000000, 0.0002060700000000 ] - [ -0.0000383900000000, -0.0001402600000000, 0.0000907100000000 ] - [ -0.0002360100000000, -0.0001544700000000, -0.0001890700000000 ] - [ -0.0000131000000000, -0.0000415700000000, -0.0000138000000000 ] - [ 0.0000612300000000, 0.0001265500000000, -0.0001150000000000 ] - [ 0.0000978300000000, -0.0001156700000000, -0.0001471500000000 ] - [ -0.0001750700000000, 0.0001182900000000, -0.0002578600000000 ] - [ -0.0002569800000000, -0.0001390500000000, -0.0001417900000000 ] - [ 0.0000929600000000, -0.0002765500000000, 0.0000472900000000 ] - [ -0.0000525900000000, 0.0002941700000000, -0.0000257600000000 ] - [ 0.0003904900000000, -0.0005789700000000, -0.0006092200000000 ] - [ -0.0000900600000000, 0.0000444100000000, -0.0001519700000000 ] - [ 0.0000425200000000, 0.0000222200000000, 0.0001309200000000 ] - [ 0.0001051000000000, -0.0000371700000000, 0.0001423000000000 ] - [ -0.0015082100000000, -0.0028889600000000, 0.0003551900000000 ] - [ 0.0001216700000000, -0.0000249700000000, -0.0001568800000000 ] - [ -0.0001410700000000, -0.0000174500000000, 0.0001574600000000 ] - [ -0.0001380600000000, 0.0000183100000000, 0.0001424800000000 ] - [ 0.0001565900000000, 0.0000215600000000, -0.0001885500000000 ] - [ 0.0001139700000000, 0.0001730500000000, -0.0000636400000000 ] - [ -0.0001164600000000, 0.0001740600000000, 0.0000883900000000 ] - [ -0.0001081500000000, -0.0001738600000000, 0.0000749900000000 ] - [ 0.0001024200000000, -0.0001756500000000, -0.0000941000000000 ] - [ -0.0003330600000000, 0.0001120800000000, 0.0002466800000000 ] - [ 0.0003131300000000, 0.0001315200000000, -0.0002051600000000 ] - [ 0.0003138100000000, -0.0001309500000000, -0.0002190800000000 ] - [ -0.0003294400000000, -0.0001317000000000, 0.0001971300000000 ] - [ 0.0000564300000000, 0.0002032500000000, 0.0000451600000000 ] - [ -0.0000233000000000, 0.0002164900000000, -0.0000191100000000 ] - [ -0.0000262500000000, -0.0002133100000000, -0.0000224800000000 ] - [ 0.0000129100000000, -0.0002188900000000, 0.0000092100000000 ] - [ 0.0000959900000000, 0.0001174400000000, -0.0001466900000000 ] - [ -0.0000695600000000, 0.0001097000000000, 0.0001672000000000 ] - [ -0.0000748700000000, -0.0001126200000000, 0.0001653400000000 ] - [ 0.0000614900000000, -0.0001066400000000, -0.0001742900000000 ] - [ 0.0000561300000000, 0.0001370300000000, -0.0001178700000000 ] - [ 0.0002481000000000, 0.0001423800000000, 0.0001443700000000 ] - [ 0.0002098200000000, -0.0001474100000000, 0.0001392000000000 ] - [ -0.0000948900000000, -0.0003013600000000, -0.0000114000000000 ] - [ 0.0008421100000000, 0.0016426900000000, 0.0003057600000000 ] - [ -0.0032122300000000, -0.0055290400000000, 0.0012505500000000 ] - [ -0.0000347000000000, -0.0000461000000000, -0.0001104600000000 ] - [ -0.0013569600000000, 0.0016535100000000, -0.0015799700000000 ] - [ -0.0005315900000000, 0.0007626900000000, -0.0007263800000000 ] - [ -0.0000249800000000, 0.0000064100000000, -0.0000084500000000 ] - [ -0.0001542800000000, -0.0000238700000000, 0.0000798800000000 ] - [ 0.0017771000000000, 0.0009545900000000, -0.0003725900000000 ] - [ 0.0002850400000000, -0.0000056900000000, -0.0002938800000000 ] - [ -0.0001840900000000, 0.0000479500000000, 0.0002872500000000 ] - [ -0.0002533800000000, -0.0000307200000000, 0.0003101100000000 ] - [ -0.0031237200000000, -0.0037134100000000, 0.0013614200000000 ] - [ -0.0000542400000000, 0.0000050900000000, -0.0000488200000000 ] - [ 0.0000962200000000, 0.0000105100000000, 0.0000592300000000 ] - [ 0.0000710200000000, -0.0000089900000000, 0.0000680000000000 ] - [ -0.0001583400000000, -0.0000309700000000, -0.0000509000000000 ] - [ 0.0002209300000000, -0.0000091400000000, -0.0000194500000000 ] - [ -0.0002061300000000, -0.0000123800000000, 0.0000433300000000 ] - [ -0.0002032000000000, 0.0000105700000000, 0.0000299100000000 ] - [ 0.0002022000000000, 0.0000231500000000, -0.0000906500000000 ] - [ 0.0029495300000000, 0.0237825400000000, 0.0000395000000000 ] - [ -0.0000656700000000, -0.0000285500000000, 0.0003310600000000 ] - [ 0.0001204000000000, -0.0013387300000000, 0.0005962400000000 ] - [ 0.0000770900000000, 0.0000179200000000, -0.0004294100000000 ] - [ 0.0007185900000000, -0.0014424800000000, 0.0003757500000000 ] - [ -0.0000385900000000, -0.0000877500000000, -0.0001814200000000 ] - [ -0.0000291200000000, 0.0000879900000000, -0.0001321100000000 ] - [ 0.0000674800000000, 0.0000813100000000, 0.0002175900000000 ] - [ 0.0002461000000000, -0.0000084700000000, 0.0000184900000000 ] - [ -0.0002325700000000, -0.0000095600000000, -0.0000449000000000 ] - [ -0.0002237700000000, 0.0000089600000000, -0.0000222500000000 ] - [ 0.0002141900000000, 0.0000102300000000, 0.0000562800000000 ]- atom: 73 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0030040500000000, 0.0001776600000000, -0.0016903000000000 ] - [ 0.0023571200000000, 0.0014700400000000, -0.0001508500000000 ] - [ -0.0011946700000000, 0.0024829900000000, -0.0064326100000000 ] - [ -0.0021752500000000, -0.0027888400000000, -0.0051178800000000 ] - [ 0.0024375100000000, 0.0002834100000000, -0.0048061100000000 ] - [ -0.0010110000000000, 0.0026206500000000, 0.0115557500000000 ] - [ 0.0010524400000000, 0.0003776600000000, -0.0046517400000000 ] - [ -0.0070861400000000, 0.0003704000000000, 0.0013589500000000 ] - [ 0.0012002700000000, -0.0004742900000000, -0.0063836300000000 ] - [ 0.0060097100000000, 0.0006948900000000, 0.0024876500000000 ] - [ -0.0025909800000000, 0.0003767000000000, -0.0024293400000000 ] - [ 0.0015593300000000, 0.0000122300000000, -0.0004721800000000 ] - [ -0.0000455000000000, 0.0004592500000000, 0.0065618500000000 ] - [ 0.0013302200000000, 0.0001913800000000, -0.0000759700000000 ] - [ -0.0011207800000000, -0.0001251500000000, -0.0002061800000000 ] - [ 0.0031431500000000, 0.0004805500000000, -0.0060451300000000 ] - [ -0.0016394500000000, -0.0024182200000000, -0.0049344600000000 ] - [ 0.0010054700000000, -0.0005804300000000, 0.0011807000000000 ] - [ -0.0004525000000000, -0.0006011300000000, -0.0012296800000000 ] - [ 0.0034059300000000, -0.0011232100000000, -0.0002883700000000 ] - [ -0.0020441300000000, 0.0002460700000000, -0.0026825600000000 ] - [ -0.0010153000000000, 0.0015708800000000, -0.0051757300000000 ] - [ -0.0004656600000000, 0.0008367200000000, -0.0012331400000000 ] - [ 0.0059093200000000, 0.0030896200000000, -0.0006252900000000 ] - [ 0.0008659500000000, 0.0003073400000000, -0.0042400400000000 ] - [ -0.0016434900000000, 0.0001067300000000, 0.0020431800000000 ] - [ 0.0009930700000000, -0.0000026500000000, -0.0011160900000000 ] - [ -0.0010857300000000, -0.0003278500000000, 0.0111366300000000 ] - [ -0.0009776300000000, -0.0000302000000000, -0.0008239200000000 ] - [ 0.0000357200000000, 0.0000020300000000, 0.0005558900000000 ] - [ -0.0003022300000000, 0.0000399600000000, -0.0002474700000000 ] - [ 0.0015141300000000, 0.0000278700000000, -0.0001336100000000 ] - [ -0.0001124400000000, 0.0001330200000000, 0.0006970100000000 ] - [ -0.0004351700000000, 0.0001465900000000, 0.0000937500000000 ] - [ 0.0002307200000000, -0.0002037300000000, 0.0000643800000000 ] - [ 0.0001747600000000, -0.0002143900000000, -0.0007361200000000 ] - [ -0.0022250800000000, -0.0000192600000000, 0.0020590600000000 ] - [ 0.0005150400000000, 0.0001110300000000, -0.0003221000000000 ] - [ 0.0001315000000000, -0.0001527700000000, -0.0001087300000000 ] - [ 0.0007120100000000, -0.0002488900000000, -0.0010538400000000 ] - [ 0.0007547500000000, -0.0004148400000000, 0.0014114700000000 ] - [ -0.0001889000000000, 0.0001187200000000, -0.0003426600000000 ] - [ 0.0001374900000000, -0.0003110500000000, 0.0003006000000000 ] - [ -0.0004307400000000, -0.0006592900000000, -0.0010625400000000 ] - [ 0.0009359100000000, 0.0007795400000000, 0.0011793900000000 ] - [ -0.0001450500000000, 0.0002097200000000, -0.0001790600000000 ] - [ 0.0000089500000000, -0.0000113900000000, 0.0005163500000000 ] - [ -0.0004139800000000, 0.0003759900000000, -0.0012759800000000 ] - [ 0.0041477100000000, 0.0011475300000000, 0.0027736600000000 ] - [ 0.0001949300000000, 0.0002059500000000, -0.0004451100000000 ] - [ 0.0001234500000000, -0.0000604500000000, 0.0008593300000000 ] - [ 0.0006464200000000, 0.0004992800000000, 0.0016301900000000 ] - [ -0.0072024000000000, 0.0023565700000000, 0.0124211300000000 ] - [ -0.0134491100000000, -0.0075177500000000, -0.0025102600000000 ] - [ 0.0015243700000000, -0.0012797700000000, 0.0089006100000000 ] - [ 0.0112643200000000, 0.0021025400000000, 0.0189538300000000 ] - [ 0.0044508100000000, 0.0021941800000000, 0.0156662500000000 ] - [ -0.0047819200000000, 0.0002086900000000, -0.0010881800000000 ] - [ 0.0024567500000000, 0.0000873400000000, 0.0015494600000000 ] - [ -0.0145265200000000, 0.0016943500000000, 0.0110945700000000 ] - [ 0.0011750000000000, -0.0011429600000000, 0.0076802600000000 ] - [ 0.0002456600000000, -0.0004153500000000, -0.0028733800000000 ] - [ -0.0004994300000000, -0.0002902400000000, 0.0025691000000000 ] - [ -0.0101767100000000, -0.0057720300000000, -0.0046349300000000 ] - [ 0.0018836600000000, -0.0001754300000000, 0.0015549000000000 ] - [ -0.0001591800000000, -0.0000050300000000, -0.0005845300000000 ] - [ 0.0003099700000000, -0.0000293300000000, 0.0006723400000000 ] - [ -0.0037605500000000, -0.0002719600000000, -0.0012946000000000 ] - [ -0.0001268800000000, 0.0001454900000000, 0.0021199900000000 ] - [ -0.0003645200000000, 0.0000070100000000, -0.0004606900000000 ] - [ -0.0000711100000000, 0.0000334800000000, 0.0005295400000000 ] - [ 0.0008069600000000, 0.0002431800000000, -0.0031123100000000 ] - [ 0.0093808100000000, 0.0000371500000000, -0.0543495900000000 ] - [ -0.0023278800000000, -0.0000620800000000, 0.0040764200000000 ] - [ 0.0052833900000000, -0.0001950500000000, -0.0051231000000000 ] - [ -0.0012325800000000, -0.0000419900000000, 0.0071398000000000 ] - [ 0.0066702300000000, -0.0009948200000000, -0.0049322900000000 ] - [ -0.0009066000000000, -0.0001418100000000, 0.0001086100000000 ] - [ 0.0009274800000000, 0.0000445700000000, -0.0002392900000000 ] - [ -0.0025553400000000, -0.0001015600000000, 0.0042173500000000 ] - [ 0.0012700200000000, 0.0000370300000000, -0.0000354300000000 ] - [ -0.0004255700000000, -0.0000109700000000, -0.0005044200000000 ] - [ -0.0000658300000000, 0.0000075600000000, 0.0004132100000000 ] - [ -0.0007525300000000, 0.0000646400000000, 0.0003282900000000 ]- atom: 73 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0026757400000000, -0.0002227800000000, 0.0019747100000000 ] - [ -0.0028533300000000, -0.0015151600000000, 0.0001204000000000 ] - [ 0.0008938700000000, -0.0024601900000000, 0.0061935600000000 ] - [ 0.0025135600000000, 0.0028255500000000, 0.0053817300000000 ] - [ -0.0027981300000000, -0.0001670800000000, 0.0052966400000000 ] - [ 0.0013378400000000, -0.0024759500000000, -0.0120254200000000 ] - [ -0.0006748600000000, -0.0004919200000000, 0.0041794800000000 ] - [ 0.0066901500000000, -0.0004937000000000, -0.0010467500000000 ] - [ -0.0011951800000000, 0.0001432100000000, 0.0062485100000000 ] - [ -0.0060327000000000, -0.0010195300000000, -0.0023760800000000 ] - [ 0.0026164600000000, -0.0000479500000000, 0.0025290100000000 ] - [ -0.0015120000000000, 0.0002702900000000, -0.0000867100000000 ] - [ 0.0004161800000000, -0.0002054200000000, -0.0064642900000000 ] - [ -0.0014184500000000, 0.0000634300000000, 0.0003921700000000 ] - [ 0.0010378800000000, -0.0001308400000000, 0.0005062500000000 ] - [ -0.0030735700000000, -0.0007355400000000, 0.0057406800000000 ] - [ 0.0014689900000000, 0.0026494400000000, 0.0051998500000000 ] - [ -0.0008565400000000, 0.0008145100000000, -0.0014487600000000 ] - [ 0.0006099400000000, 0.0003692400000000, 0.0009608500000000 ] - [ -0.0035746100000000, 0.0009102700000000, 0.0005211400000000 ] - [ 0.0015735100000000, -0.0005334800000000, 0.0023939900000000 ] - [ 0.0011466400000000, -0.0021635600000000, 0.0052193400000000 ] - [ 0.0003244100000000, -0.0002443000000000, 0.0011973200000000 ] - [ -0.0057888100000000, -0.0025317100000000, 0.0005970900000000 ] - [ -0.0010203000000000, -0.0002313700000000, 0.0039578900000000 ] - [ 0.0017882600000000, -0.0000294100000000, -0.0017652500000000 ] - [ -0.0008422200000000, -0.0000747700000000, 0.0014006800000000 ] - [ 0.0009695000000000, 0.0002513200000000, -0.0114360500000000 ] - [ 0.0012547100000000, -0.0000055900000000, 0.0005303900000000 ] - [ -0.0003137500000000, -0.0000370100000000, -0.0002534800000000 ] - [ 0.0000248000000000, -0.0000049000000000, 0.0005496100000000 ] - [ -0.0012373800000000, 0.0000064900000000, -0.0001772000000000 ] - [ 0.0003350700000000, 0.0002156000000000, -0.0008617200000000 ] - [ 0.0002150900000000, 0.0002027000000000, 0.0000729100000000 ] - [ -0.0004517400000000, -0.0001451600000000, 0.0001000200000000 ] - [ 0.0000429300000000, -0.0001352200000000, 0.0005697700000000 ] - [ 0.0015970200000000, 0.0002816300000000, -0.0016284400000000 ] - [ 0.0001183000000000, 0.0001512600000000, -0.0001054100000000 ] - [ 0.0005016800000000, -0.0001094200000000, -0.0003206000000000 ] - [ -0.0013517500000000, -0.0000132300000000, 0.0014823200000000 ] - [ -0.0007036400000000, 0.0008434200000000, -0.0013719100000000 ] - [ 0.0001415500000000, 0.0003105900000000, 0.0003028900000000 ] - [ -0.0001856600000000, -0.0001171000000000, -0.0003421400000000 ] - [ 0.0004748600000000, 0.0002306300000000, 0.0011041900000000 ] - [ -0.0007892800000000, -0.0005593600000000, -0.0015131000000000 ] - [ 0.0000012000000000, 0.0000092200000000, 0.0005101700000000 ] - [ -0.0001537500000000, -0.0002084200000000, -0.0001867700000000 ] - [ 0.0005557100000000, -0.0005960600000000, 0.0009475600000000 ] - [ -0.0045783200000000, -0.0008621600000000, -0.0030800900000000 ] - [ 0.0002669400000000, 0.0000819000000000, 0.0007355600000000 ] - [ 0.0003325900000000, -0.0002276500000000, -0.0005719400000000 ] - [ -0.0007953200000000, -0.0010936400000000, -0.0016670900000000 ] - [ 0.0071387700000000, -0.0022002000000000, -0.0122463000000000 ] - [ 0.0134090300000000, 0.0076309700000000, 0.0022218100000000 ] - [ -0.0015752500000000, 0.0011242100000000, -0.0090850400000000 ] - [ -0.0113815600000000, -0.0022811700000000, -0.0189745600000000 ] - [ -0.0042207800000000, -0.0021302100000000, -0.0156594200000000 ] - [ 0.0046760800000000, -0.0001473000000000, 0.0011443700000000 ] - [ -0.0025942600000000, -0.0001483200000000, -0.0014823500000000 ] - [ 0.0147809400000000, -0.0017713700000000, -0.0112231200000000 ] - [ -0.0007140700000000, 0.0012065600000000, -0.0082871400000000 ] - [ -0.0006872500000000, 0.0004780100000000, 0.0034883800000000 ] - [ 0.0000472400000000, 0.0002289500000000, -0.0019580200000000 ] - [ 0.0105983600000000, 0.0057513100000000, 0.0041548600000000 ] - [ -0.0020405000000000, 0.0001935700000000, -0.0016853800000000 ] - [ 0.0003296800000000, 0.0000232900000000, 0.0007083800000000 ] - [ -0.0001439300000000, 0.0000112000000000, -0.0005495100000000 ] - [ 0.0035830800000000, 0.0002529400000000, 0.0011820300000000 ] - [ 0.0005502300000000, -0.0001688800000000, -0.0021970100000000 ] - [ -0.0000525700000000, -0.0000306900000000, 0.0005388700000000 ] - [ -0.0003468300000000, -0.0000100100000000, -0.0004557800000000 ] - [ -0.0003945500000000, -0.0002187800000000, 0.0030379600000000 ] - [ -0.0094037300000000, 0.0000372300000000, 0.0538275500000000 ] - [ 0.0022670600000000, 0.0000304300000000, -0.0033238000000000 ] - [ -0.0053218900000000, 0.0002275300000000, 0.0059307700000000 ] - [ 0.0012851700000000, 0.0000731000000000, -0.0079001700000000 ] - [ -0.0066174800000000, 0.0008165500000000, 0.0052073100000000 ] - [ 0.0008418900000000, -0.0000370900000000, -0.0004287300000000 ] - [ -0.0009931200000000, 0.0001343600000000, -0.0000724000000000 ] - [ 0.0026323200000000, 0.0002812100000000, -0.0038989700000000 ] - [ -0.0008119500000000, -0.0000544700000000, 0.0000967200000000 ] - [ -0.0000340700000000, -0.0000065100000000, 0.0004383300000000 ] - [ -0.0003914300000000, 0.0000097400000000, -0.0004779400000000 ] - [ 0.0012127900000000, -0.0000472500000000, -0.0002592000000000 ]- atom: 77 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0021003600000000, 0.0003498800000000, 0.0003070500000000 ] - [ -0.0025279100000000, -0.0005117500000000, -0.0000379600000000 ] - [ -0.0007383900000000, 0.0003381300000000, -0.0005939400000000 ] - [ -0.0004063200000000, -0.0003895100000000, -0.0005073000000000 ] - [ -0.0028912700000000, -0.0002363700000000, 0.0015948200000000 ] - [ -0.0035623700000000, 0.0002736300000000, -0.0009266000000000 ] - [ -0.0009129800000000, -0.0001405700000000, 0.0000373000000000 ] - [ -0.0015864200000000, -0.0000980900000000, -0.0013164100000000 ] - [ -0.0062943600000000, -0.0003152600000000, 0.0026872800000000 ] - [ -0.0051218300000000, -0.0001932900000000, -0.0003128400000000 ] - [ -0.0028221500000000, 0.0001382000000000, -0.0001341600000000 ] - [ 0.0011824200000000, 0.0000762300000000, -0.0016660400000000 ] - [ 0.0067608100000000, -0.0072066800000000, 0.0010822700000000 ] - [ -0.0024389100000000, -0.0001073700000000, 0.0002356500000000 ] - [ -0.0017745100000000, 0.0000032400000000, -0.0003954100000000 ] - [ 0.0019698500000000, 0.0001867000000000, -0.0000781600000000 ] - [ 0.0067190600000000, 0.0041198700000000, 0.0037313000000000 ] - [ -0.0016984000000000, 0.0007524000000000, -0.0003756000000000 ] - [ -0.0012226900000000, -0.0006305000000000, -0.0005554400000000 ] - [ 0.0037845900000000, -0.0003586000000000, -0.0011903800000000 ] - [ 0.0113474800000000, -0.0009208100000000, 0.0005399900000000 ] - [ 0.0021275900000000, -0.0025299300000000, 0.0080147900000000 ] - [ -0.0014574900000000, 0.0007118100000000, -0.0005926900000000 ] - [ 0.0045178100000000, 0.0000845200000000, -0.0012427500000000 ] - [ 0.0008831400000000, -0.0001474600000000, 0.0043301600000000 ] - [ -0.0021417200000000, 0.0000108100000000, -0.0000074900000000 ] - [ -0.0022070800000000, 0.0000028100000000, 0.0001664800000000 ] - [ 0.0070892700000000, -0.0006367800000000, -0.0060742600000000 ] - [ 0.0113045100000000, -0.0001210700000000, 0.0018485100000000 ] - [ -0.0027664300000000, 0.0002290000000000, 0.0004755200000000 ] - [ -0.0015017800000000, 0.0000521200000000, -0.0009378200000000 ] - [ 0.0024248700000000, 0.0004510200000000, 0.0040991300000000 ] - [ -0.0051157000000000, 0.0002520400000000, 0.0006843500000000 ] - [ -0.0042777700000000, -0.0002059000000000, -0.0014382100000000 ] - [ -0.0012382200000000, -0.0000848800000000, 0.0003426800000000 ] - [ 0.0002755700000000, -0.0001712700000000, -0.0004564300000000 ] - [ 0.0058629400000000, 0.0037134600000000, 0.0013925500000000 ] - [ -0.0027887800000000, 0.0001373800000000, -0.0006059300000000 ] - [ -0.0014341600000000, -0.0001906500000000, -0.0000004900000000 ] - [ 0.0025420900000000, -0.0002876600000000, -0.0001557300000000 ] - [ -0.0020933500000000, -0.0004441200000000, 0.0064810600000000 ] - [ -0.0025196900000000, -0.0003673000000000, -0.0018938800000000 ] - [ -0.0013569500000000, -0.0001896300000000, 0.0001714900000000 ] - [ 0.0013735000000000, -0.0006066400000000, -0.0030255200000000 ] - [ -0.0002085900000000, 0.0021549000000000, 0.0060327100000000 ] - [ -0.0015505000000000, 0.0008616900000000, -0.0013928800000000 ] - [ -0.0014434700000000, -0.0004356700000000, 0.0008510000000000 ] - [ 0.0022211800000000, 0.0008084800000000, -0.0042383400000000 ] - [ 0.0148258600000000, 0.0010455000000000, -0.0015836500000000 ] - [ -0.0033137200000000, 0.0004584300000000, -0.0004022000000000 ] - [ -0.0033289800000000, -0.0005146300000000, 0.0001392100000000 ] - [ -0.0017894500000000, -0.0007987600000000, -0.0005816500000000 ] - [ 0.0064551100000000, -0.0001248400000000, -0.0006872700000000 ] - [ 0.0061091900000000, 0.0004854400000000, 0.0002935500000000 ] - [ 0.0024755200000000, -0.0001812700000000, 0.0005892300000000 ] - [ 0.0005176200000000, 0.0002705700000000, 0.0016317700000000 ] - [ 0.0089402800000000, 0.0023614700000000, -0.0177800400000000 ] - [ 0.0047580400000000, -0.0003057200000000, 0.0000393000000000 ] - [ 0.0029528100000000, 0.0002728100000000, 0.0006066400000000 ] - [ -0.0028372700000000, 0.0002250600000000, 0.0013230500000000 ] - [ -0.0078578300000000, 0.0000002200000000, -0.0164879500000000 ] - [ 0.0037456800000000, 0.0004795800000000, 0.0010953400000000 ] - [ 0.0035593400000000, -0.0004156400000000, 0.0011181100000000 ] - [ -0.0204836800000000, 0.0000144500000000, 0.0060529800000000 ] - [ -0.0103274300000000, -0.0010376000000000, 0.0120101800000000 ] - [ 0.0039066400000000, 0.0003085300000000, -0.0010147700000000 ] - [ 0.0038613400000000, -0.0002214400000000, 0.0019884200000000 ] - [ -0.0054311000000000, -0.0009836900000000, -0.0122409300000000 ] - [ -0.0021919500000000, 0.0000776500000000, 0.0029915400000000 ] - [ 0.0019437100000000, -0.0000841600000000, -0.0006854000000000 ] - [ 0.0045604100000000, 0.0003556100000000, 0.0023331200000000 ] - [ 0.0124948600000000, -0.0005992300000000, -0.0104097700000000 ] - [ 0.0072469200000000, -0.0006846400000000, 0.0074171200000000 ] - [ 0.0033392600000000, -0.0000209800000000, 0.0000117900000000 ] - [ 0.0032585400000000, 0.0000129100000000, 0.0018503300000000 ] - [ 0.0008420600000000, 0.0000523400000000, -0.0028753300000000 ] - [ -0.0568652000000000, 0.0000694300000000, 0.0042135700000000 ] - [ 0.0038112200000000, -0.0000476000000000, 0.0002466100000000 ] - [ 0.0027568900000000, 0.0000419900000000, 0.0004067000000000 ] - [ -0.0051092800000000, 0.0000527700000000, -0.0020238200000000 ] - [ 0.0081075000000000, 0.0013402600000000, 0.0076881000000000 ] - [ 0.0052104000000000, -0.0001381500000000, -0.0005249200000000 ] - [ 0.0008815700000000, 0.0000476100000000, 0.0007685000000000 ] - [ 0.0007890200000000, 0.0000051300000000, -0.0024708900000000 ]- atom: 77 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0024200800000000, -0.0003770700000000, -0.0000612800000000 ] - [ 0.0022167700000000, 0.0004816700000000, -0.0002150100000000 ] - [ 0.0004201400000000, -0.0003083600000000, 0.0003441700000000 ] - [ 0.0007182800000000, 0.0004183600000000, 0.0007568100000000 ] - [ 0.0025196400000000, 0.0003518700000000, -0.0011231900000000 ] - [ 0.0039490200000000, -0.0001597700000000, 0.0004547000000000 ] - [ 0.0012836500000000, 0.0000258200000000, -0.0005163400000000 ] - [ 0.0012100300000000, -0.0000159300000000, 0.0018003300000000 ] - [ 0.0062811800000000, -0.0000133400000000, -0.0027872900000000 ] - [ 0.0051377000000000, -0.0001362500000000, 0.0004087300000000 ] - [ 0.0028277200000000, 0.0001912400000000, 0.0002294100000000 ] - [ -0.0012095900000000, 0.0002536800000000, 0.0015715700000000 ] - [ -0.0069628300000000, 0.0077210800000000, -0.0013237400000000 ] - [ 0.0023546200000000, 0.0003636400000000, 0.0000706600000000 ] - [ 0.0016896600000000, -0.0002589700000000, 0.0007040200000000 ] - [ -0.0018890100000000, -0.0004419700000000, -0.0002383500000000 ] - [ -0.0070403100000000, -0.0039635300000000, -0.0032511300000000 ] - [ 0.0018531100000000, -0.0005208400000000, 0.0001074100000000 ] - [ 0.0013758500000000, 0.0003978700000000, 0.0002859500000000 ] - [ -0.0039516000000000, 0.0001340300000000, 0.0014424700000000 ] - [ -0.0118163700000000, 0.0006318400000000, -0.0008305600000000 ] - [ -0.0019945500000000, 0.0019401300000000, -0.0079945600000000 ] - [ 0.0013128300000000, -0.0001176700000000, 0.0005564500000000 ] - [ -0.0043916700000000, 0.0005016200000000, 0.0012678600000000 ] - [ -0.0010355300000000, 0.0002274200000000, -0.0046154500000000 ] - [ 0.0022896500000000, 0.0000665800000000, 0.0002917300000000 ] - [ 0.0023540000000000, -0.0000806600000000, 0.0001156000000000 ] - [ -0.0073724600000000, 0.0005463700000000, 0.0056852800000000 ] - [ -0.0108520600000000, 0.0000705200000000, -0.0018353000000000 ] - [ 0.0024881500000000, -0.0002636000000000, -0.0001726700000000 ] - [ 0.0012257700000000, -0.0000162100000000, 0.0012363800000000 ] - [ -0.0021243600000000, -0.0004181300000000, -0.0044095000000000 ] - [ 0.0053492000000000, 0.0000908900000000, -0.0008427900000000 ] - [ 0.0040510300000000, 0.0005544600000000, 0.0015973000000000 ] - [ 0.0010272500000000, -0.0002652700000000, -0.0001751000000000 ] - [ -0.0000518300000000, -0.0001775700000000, 0.0002920200000000 ] - [ -0.0062285800000000, -0.0033262600000000, -0.0010271100000000 ] - [ 0.0034168100000000, 0.0001245900000000, 0.0001784800000000 ] - [ 0.0020664200000000, -0.0000716700000000, -0.0004242800000000 ] - [ -0.0031699100000000, 0.0000258400000000, 0.0005820700000000 ] - [ 0.0021531500000000, 0.0008869700000000, -0.0064090200000000 ] - [ 0.0024708600000000, 0.0007943400000000, 0.0018491700000000 ] - [ 0.0013131400000000, -0.0002394500000000, -0.0002086100000000 ] - [ -0.0013218800000000, 0.0001826000000000, 0.0030799400000000 ] - [ 0.0003724400000000, -0.0019275700000000, -0.0063527500000000 ] - [ 0.0014059000000000, -0.0006417900000000, 0.0017178600000000 ] - [ 0.0013005000000000, 0.0002174800000000, -0.0005174900000000 ] - [ -0.0020731800000000, -0.0010338000000000, 0.0039098400000000 ] - [ -0.0152673100000000, -0.0007669600000000, 0.0011869400000000 ] - [ 0.0037720700000000, -0.0001699500000000, 0.0006887900000000 ] - [ 0.0037897400000000, 0.0002266200000000, 0.0001502500000000 ] - [ 0.0016459500000000, 0.0002059600000000, 0.0005470500000000 ] - [ -0.0064282900000000, 0.0002802100000000, 0.0008628100000000 ] - [ -0.0061580600000000, -0.0003272200000000, -0.0004542500000000 ] - [ -0.0025051000000000, 0.0000239300000000, -0.0007536300000000 ] - [ -0.0004700100000000, -0.0004282000000000, -0.0014681100000000 ] - [ -0.0088199600000000, -0.0023209500000000, 0.0177874200000000 ] - [ -0.0048865500000000, 0.0003660600000000, 0.0000254500000000 ] - [ -0.0030742600000000, -0.0003331300000000, -0.0005424200000000 ] - [ 0.0029818100000000, -0.0002877400000000, -0.0013722500000000 ] - [ 0.0083231300000000, 0.0000610700000000, 0.0159061200000000 ] - [ -0.0041930900000000, -0.0004180800000000, -0.0004852500000000 ] - [ -0.0040044500000000, 0.0003531300000000, -0.0005037300000000 ] - [ 0.0210324400000000, -0.0000670900000000, -0.0066092900000000 ] - [ 0.0101615500000000, 0.0010569900000000, -0.0121371800000000 ] - [ -0.0037424200000000, -0.0002902600000000, 0.0011350900000000 ] - [ -0.0036941100000000, 0.0002028800000000, -0.0018578600000000 ] - [ 0.0051654700000000, 0.0009633700000000, 0.0120777600000000 ] - [ 0.0026008800000000, -0.0001042500000000, -0.0030692000000000 ] - [ -0.0023645000000000, 0.0000614000000000, 0.0007552400000000 ] - [ -0.0049695700000000, -0.0003303500000000, -0.0022521200000000 ] - [ -0.0121061300000000, 0.0006134000000000, 0.0103180300000000 ] - [ -0.0072139200000000, 0.0006647100000000, -0.0082285800000000 ] - [ -0.0033940800000000, -0.0000106200000000, 0.0007522600000000 ] - [ -0.0033135300000000, 0.0000188000000000, -0.0010957500000000 ] - [ -0.0007823900000000, -0.0000207600000000, 0.0021238000000000 ] - [ 0.0570526200000000, -0.0005415900000000, -0.0043251700000000 ] - [ -0.0038762500000000, -0.0001305800000000, -0.0005625700000000 ] - [ -0.0028240000000000, 0.0001359800000000, -0.0007238500000000 ] - [ 0.0051744400000000, 0.0001256200000000, 0.0023499400000000 ] - [ -0.0076333500000000, -0.0013404100000000, -0.0075848200000000 ] - [ -0.0056598400000000, 0.0001196400000000, 0.0004534200000000 ] - [ -0.0013462500000000, -0.0000296600000000, -0.0008334800000000 ] - [ -0.0003415500000000, 0.0000128100000000, 0.0025344500000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002109300000000, -0.0000522000000000, 0.0001320100000000 ] - [ -0.0000343900000000, 0.0000318000000000, -0.0001259200000000 ] - [ -0.0001840700000000, 0.0000178400000000, -0.0001313000000000 ] - [ 0.0001196600000000, 0.0000173300000000, 0.0001260000000000 ] - [ -0.0000835200000000, 0.0000797600000000, 0.0001660700000000 ] - [ 0.0001784200000000, 0.0000764000000000, -0.0001813200000000 ] - [ 0.0001580800000000, -0.0000554300000000, -0.0002646300000000 ] - [ -0.0001824900000000, -0.0000453200000000, 0.0003567300000000 ] - [ 0.0005469700000000, -0.0005584700000000, -0.0006283000000000 ] - [ 0.0000894900000000, -0.0001519000000000, 0.0000754100000000 ] - [ 0.0000009800000000, 0.0001652500000000, 0.0000360300000000 ] - [ -0.0001923500000000, 0.0002182000000000, -0.0000122400000000 ] - [ -0.0064313300000000, 0.0001826600000000, 0.0009905200000000 ] - [ -0.0000082800000000, 0.0001317800000000, 0.0001472500000000 ] - [ -0.0000231200000000, -0.0001308300000000, 0.0001628600000000 ] - [ -0.0000301000000000, -0.0001040200000000, -0.0002171100000000 ] - [ 0.0002543000000000, 0.0010274800000000, -0.0005984300000000 ] - [ 0.0001026600000000, 0.0001051400000000, -0.0001212600000000 ] - [ 0.0000893000000000, -0.0001144600000000, -0.0001377400000000 ] - [ -0.0001074600000000, -0.0000356300000000, -0.0002680200000000 ] - [ -0.0003481600000000, 0.0001697500000000, 0.0002039300000000 ] - [ 0.0010449100000000, -0.0002341900000000, -0.0014517400000000 ] - [ -0.0000584000000000, 0.0002966000000000, -0.0000223300000000 ] - [ -0.0000144700000000, -0.0000522300000000, 0.0000572500000000 ] - [ -0.0002325700000000, 0.0003861300000000, 0.0002256800000000 ] - [ 0.0001010100000000, 0.0000391000000000, 0.0001559000000000 ] - [ 0.0001096600000000, -0.0000378200000000, 0.0001250300000000 ] - [ -0.0007165700000000, 0.0028106300000000, -0.0003172500000000 ] - [ 0.0001973400000000, 0.0023615500000000, -0.0001595000000000 ] - [ -0.0001454000000000, -0.0000185000000000, 0.0001727800000000 ] - [ -0.0000988800000000, 0.0000211900000000, 0.0001391500000000 ] - [ 0.0002922700000000, 0.0000355900000000, -0.0002580100000000 ] - [ -0.0002937800000000, 0.0002085100000000, 0.0000765000000000 ] - [ -0.0000151900000000, 0.0001721000000000, 0.0000804900000000 ] - [ -0.0000537600000000, -0.0001790700000000, 0.0001095800000000 ] - [ 0.0001824900000000, -0.0001509700000000, -0.0000200900000000 ] - [ 0.0029059400000000, 0.0005799700000000, -0.0005752900000000 ] - [ 0.0003570700000000, 0.0001360300000000, -0.0002230300000000 ] - [ 0.0003551200000000, -0.0001327700000000, -0.0001915200000000 ] - [ -0.0003160100000000, -0.0001108300000000, 0.0002484500000000 ] - [ 0.0003284200000000, -0.0001682400000000, 0.0000295400000000 ] - [ -0.0000361200000000, 0.0002293500000000, -0.0000430500000000 ] - [ 0.0000101000000000, -0.0002312400000000, 0.0000168200000000 ] - [ 0.0001473400000000, -0.0001666400000000, 0.0003344600000000 ] - [ -0.0000438700000000, 0.0003814100000000, 0.0002194000000000 ] - [ -0.0000456200000000, 0.0001066100000000, 0.0001529500000000 ] - [ -0.0000522000000000, -0.0000945800000000, 0.0002025200000000 ] - [ 0.0001267300000000, -0.0001837100000000, -0.0001862900000000 ] - [ 0.0000641000000000, 0.0016411100000000, 0.0007746700000000 ] - [ 0.0002731300000000, 0.0001385800000000, 0.0001295700000000 ] - [ 0.0002750800000000, -0.0001393800000000, 0.0001608200000000 ] - [ -0.0000466900000000, -0.0002851900000000, -0.0000004800000000 ] - [ -0.0003035600000000, 0.0001189000000000, 0.0001228400000000 ] - [ -0.0001341400000000, -0.0000242200000000, -0.0001579200000000 ] - [ 0.0000046500000000, -0.0000747000000000, -0.0000650000000000 ] - [ 0.0001912400000000, -0.0001054500000000, 0.0000496700000000 ] - [ 0.0013976000000000, 0.0083879200000000, 0.0008287200000000 ] - [ -0.0001485000000000, 0.0000334900000000, 0.0000274600000000 ] - [ -0.0000752700000000, -0.0000330100000000, 0.0000324900000000 ] - [ 0.0002201800000000, -0.0002399000000000, -0.0000433900000000 ] - [ -0.0001084700000000, -0.0030901600000000, -0.0011913400000000 ] - [ -0.0002719300000000, 0.0000230900000000, 0.0002723100000000 ] - [ -0.0002721900000000, -0.0000304100000000, 0.0003204300000000 ] - [ 0.0010203500000000, -0.0013307600000000, 0.0032973500000000 ] - [ -0.0004045200000000, -0.0000663300000000, -0.0014160300000000 ] - [ 0.0000396800000000, 0.0000038500000000, 0.0000081600000000 ] - [ 0.0000360600000000, 0.0000107200000000, 0.0001001800000000 ] - [ -0.0007973300000000, -0.0012813900000000, 0.0000290400000000 ] - [ 0.0001785400000000, -0.0001053500000000, -0.0001615400000000 ] - [ -0.0002721000000000, -0.0000047800000000, -0.0000177800000000 ] - [ -0.0002546500000000, -0.0000198200000000, 0.0000475400000000 ] - [ 0.0008260000000000, 0.0029376900000000, -0.0007117100000000 ] - [ -0.0007651300000000, 0.0013434200000000, -0.0014324400000000 ] - [ -0.0000758100000000, -0.0000169100000000, 0.0004257800000000 ] - [ -0.0000528200000000, 0.0000163700000000, 0.0003295100000000 ] - [ 0.0000440300000000, 0.0000220500000000, -0.0001810000000000 ] - [ 0.0003713000000000, -0.0164782000000000, -0.0008463300000000 ] - [ -0.0000728800000000, -0.0000891500000000, -0.0001492500000000 ] - [ -0.0000794900000000, 0.0000884800000000, -0.0001773800000000 ] - [ 0.0000685800000000, 0.0001113500000000, 0.0001721600000000 ] - [ 0.0013842300000000, 0.0015495000000000, 0.0009700400000000 ] - [ -0.0002671400000000, -0.0000436900000000, -0.0000606500000000 ] - [ -0.0003327900000000, 0.0000085600000000, -0.0000516800000000 ] - [ 0.0001796000000000, 0.0000445900000000, -0.0000437800000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001042000000000, 0.0000231000000000, 0.0001200200000000 ] - [ -0.0002777500000000, -0.0000583600000000, -0.0001243800000000 ] - [ -0.0001319300000000, 0.0000101200000000, -0.0001204600000000 ] - [ 0.0001930200000000, 0.0000102800000000, 0.0001242900000000 ] - [ -0.0002894300000000, 0.0000347800000000, 0.0003117400000000 ] - [ 0.0001920600000000, 0.0000375100000000, -0.0002958600000000 ] - [ 0.0002147100000000, -0.0000587500000000, -0.0002154100000000 ] - [ -0.0001934400000000, -0.0000685600000000, 0.0001258700000000 ] - [ -0.0005395000000000, 0.0002132700000000, 0.0005147500000000 ] - [ -0.0000825500000000, -0.0001778600000000, 0.0000196100000000 ] - [ 0.0000052800000000, 0.0001644900000000, 0.0000578400000000 ] - [ 0.0001771900000000, 0.0001138200000000, -0.0000818800000000 ] - [ 0.0062349500000000, 0.0003546700000000, -0.0012333100000000 ] - [ -0.0000770200000000, 0.0001258200000000, 0.0001568900000000 ] - [ -0.0000617500000000, -0.0001268200000000, 0.0001418900000000 ] - [ 0.0001127000000000, -0.0001521000000000, -0.0000889000000000 ] - [ -0.0004340800000000, -0.0008307100000000, 0.0008815100000000 ] - [ 0.0000499300000000, 0.0001273100000000, -0.0001457400000000 ] - [ 0.0000633700000000, -0.0001189200000000, -0.0001295700000000 ] - [ -0.0000477300000000, -0.0001912600000000, 0.0005182400000000 ] - [ -0.0001230000000000, -0.0004578600000000, -0.0004700800000000 ] - [ -0.0008964800000000, -0.0003403400000000, 0.0014486300000000 ] - [ -0.0000867600000000, 0.0002963600000000, -0.0000149700000000 ] - [ 0.0001633200000000, 0.0006320000000000, -0.0000155000000000 ] - [ 0.0000765000000000, -0.0003017300000000, -0.0005004800000000 ] - [ 0.0000480000000000, 0.0000363100000000, 0.0001247100000000 ] - [ 0.0000396300000000, -0.0000390000000000, 0.0001548300000000 ] - [ 0.0005435200000000, -0.0028978200000000, 0.0000196500000000 ] - [ 0.0000708500000000, -0.0023914300000000, -0.0001628200000000 ] - [ -0.0001370700000000, -0.0000168400000000, 0.0001289800000000 ] - [ -0.0001782500000000, 0.0000146700000000, 0.0001591200000000 ] - [ 0.0000002300000000, 0.0000022900000000, -0.0000421400000000 ] - [ 0.0004725300000000, 0.0001405000000000, -0.0002332200000000 ] - [ -0.0002035700000000, 0.0001760300000000, 0.0000791700000000 ] - [ -0.0001672200000000, -0.0001692000000000, 0.0000569100000000 ] - [ 0.0000453700000000, -0.0001957200000000, -0.0001392800000000 ] - [ -0.0032249600000000, -0.0001399100000000, 0.0009120500000000 ] - [ 0.0002711700000000, 0.0001264700000000, -0.0002036900000000 ] - [ 0.0002737200000000, -0.0001301600000000, -0.0002304300000000 ] - [ -0.0003115600000000, -0.0001506900000000, 0.0001798800000000 ] - [ -0.0002718900000000, 0.0005702600000000, 0.0000259300000000 ] - [ -0.0000158800000000, 0.0002007600000000, -0.0000012900000000 ] - [ -0.0000579600000000, -0.0001995400000000, -0.0000549000000000 ] - [ -0.0000926600000000, -0.0002584500000000, -0.0002760900000000 ] - [ 0.0001806600000000, -0.0001332300000000, -0.0005088300000000 ] - [ -0.0000979500000000, 0.0001160400000000, 0.0001773900000000 ] - [ -0.0000921800000000, -0.0001276800000000, 0.0001343400000000 ] - [ 0.0000208200000000, -0.0000526300000000, -0.0001408600000000 ] - [ -0.0005078200000000, -0.0013400800000000, -0.0010343000000000 ] - [ 0.0001850100000000, 0.0001506500000000, 0.0001506000000000 ] - [ 0.0001825400000000, -0.0001503100000000, 0.0001217200000000 ] - [ -0.0000990300000000, -0.0003075300000000, -0.0000361600000000 ] - [ 0.0003278000000000, 0.0000385800000000, 0.0000425200000000 ] - [ 0.0001023400000000, 0.0001776900000000, -0.0000114800000000 ] - [ -0.0000350900000000, -0.0000822200000000, -0.0000995800000000 ] - [ -0.0001504000000000, -0.0000520900000000, 0.0001164700000000 ] - [ -0.0013884100000000, -0.0082327300000000, -0.0007468300000000 ] - [ 0.0000249800000000, 0.0000260600000000, 0.0000391400000000 ] - [ -0.0000479400000000, -0.0000268800000000, 0.0000338900000000 ] - [ -0.0000911700000000, 0.0001660200000000, -0.0000214500000000 ] - [ 0.0005765600000000, 0.0031040100000000, 0.0005419100000000 ] - [ -0.0001703400000000, 0.0000393000000000, 0.0003396300000000 ] - [ -0.0001708400000000, -0.0000330600000000, 0.0002936500000000 ] - [ -0.0005649600000000, 0.0013216600000000, -0.0038501800000000 ] - [ 0.0002357400000000, 0.0001105300000000, 0.0012335200000000 ] - [ 0.0001291700000000, 0.0000151800000000, 0.0001135500000000 ] - [ 0.0001314700000000, -0.0000290800000000, 0.0000313200000000 ] - [ 0.0005583900000000, 0.0012372900000000, -0.0001468400000000 ] - [ 0.0002283800000000, 0.0000744500000000, 0.0000813400000000 ] - [ -0.0001405800000000, -0.0000179600000000, 0.0000857800000000 ] - [ -0.0001559600000000, 0.0000412100000000, 0.0000285300000000 ] - [ -0.0002935200000000, -0.0028808600000000, 0.0005486700000000 ] - [ 0.0007941300000000, -0.0013780300000000, 0.0006372800000000 ] - [ 0.0000221200000000, -0.0000146400000000, 0.0003353800000000 ] - [ 0.0000004600000000, 0.0000147400000000, 0.0004290500000000 ] - [ 0.0000138800000000, 0.0000090700000000, -0.0005735000000000 ] - [ -0.0002389800000000, 0.0157878700000000, 0.0011097700000000 ] - [ 0.0000100400000000, -0.0000885700000000, -0.0001658600000000 ] - [ 0.0000144800000000, 0.0000887900000000, -0.0001400500000000 ] - [ -0.0000042500000000, 0.0000669600000000, 0.0001426600000000 ] - [ -0.0009012500000000, -0.0015863600000000, -0.0008552200000000 ] - [ -0.0001837400000000, 0.0000248100000000, -0.0000043100000000 ] - [ -0.0001291500000000, 0.0000095900000000, -0.0000153800000000 ] - [ 0.0002747900000000, -0.0000253700000000, 0.0001006200000000 ]- atom: 77 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0012913200000000, -0.0008491200000000, 0.0019837000000000 ] - [ 0.0003913600000000, 0.0009581300000000, 0.0024902800000000 ] - [ -0.0004192400000000, 0.0007154500000000, -0.0020740000000000 ] - [ -0.0005707200000000, -0.0006505600000000, -0.0013989600000000 ] - [ 0.0014887100000000, 0.0001555400000000, 0.0001599000000000 ] - [ -0.0017575600000000, 0.0003355200000000, 0.0020175100000000 ] - [ 0.0012721800000000, 0.0001289000000000, -0.0017489400000000 ] - [ -0.0014092200000000, -0.0000224900000000, -0.0000926700000000 ] - [ 0.0074195500000000, 0.0008470000000000, 0.0010068300000000 ] - [ 0.0000076600000000, -0.0000494900000000, 0.0008958900000000 ] - [ -0.0001082500000000, 0.0002270700000000, -0.0006379600000000 ] - [ -0.0039646600000000, 0.0002925300000000, -0.0021589800000000 ] - [ 0.0004595500000000, 0.0039489600000000, 0.0128181600000000 ] - [ 0.0001129800000000, 0.0000901100000000, 0.0005802400000000 ] - [ -0.0001873000000000, -0.0001629400000000, -0.0002607400000000 ] - [ 0.0002525700000000, 0.0004784800000000, -0.0057238900000000 ] - [ -0.0014830200000000, 0.0006089500000000, 0.0052953000000000 ] - [ 0.0001662600000000, -0.0000003600000000, 0.0002351200000000 ] - [ 0.0000024000000000, -0.0002335600000000, -0.0005044600000000 ] - [ -0.0011634600000000, 0.0021446400000000, -0.0071166400000000 ] - [ -0.0001154300000000, 0.0001773700000000, -0.0067455400000000 ] - [ 0.0041824800000000, -0.0003403300000000, -0.0031866000000000 ] - [ -0.0001683200000000, 0.0004282000000000, -0.0003599800000000 ] - [ -0.0023471400000000, -0.0027804200000000, -0.0065500600000000 ] - [ 0.0030722300000000, 0.0003137700000000, -0.0058714500000000 ] - [ -0.0001734200000000, 0.0000392000000000, 0.0002702400000000 ] - [ 0.0003470500000000, -0.0000375600000000, 0.0000038800000000 ] - [ -0.0078935500000000, -0.0006801200000000, 0.0002055500000000 ] - [ 0.0016026700000000, -0.0007395900000000, 0.0090663100000000 ] - [ 0.0005674700000000, -0.0000782900000000, 0.0004036000000000 ] - [ -0.0005914000000000, -0.0000045400000000, -0.0002454700000000 ] - [ 0.0033453100000000, -0.0005526200000000, -0.0064687100000000 ] - [ 0.0034804500000000, -0.0004640700000000, 0.0038073000000000 ] - [ -0.0026335400000000, -0.0000006100000000, 0.0015322500000000 ] - [ 0.0010829600000000, -0.0002264800000000, -0.0010587300000000 ] - [ -0.0011380800000000, -0.0005093500000000, -0.0033487900000000 ] - [ -0.0000258400000000, -0.0009998800000000, 0.0122121600000000 ] - [ -0.0003588700000000, 0.0001481800000000, 0.0007404600000000 ] - [ 0.0007077700000000, -0.0000887300000000, -0.0009839600000000 ] - [ 0.0006612600000000, -0.0004499200000000, -0.0040504100000000 ] - [ 0.0058787800000000, -0.0020268500000000, 0.0006631100000000 ] - [ -0.0007716000000000, 0.0002077700000000, -0.0002067400000000 ] - [ 0.0005293300000000, -0.0001221900000000, -0.0001722800000000 ] - [ -0.0021679000000000, -0.0019876600000000, -0.0052677600000000 ] - [ 0.0044627500000000, 0.0019272700000000, -0.0004919200000000 ] - [ -0.0004888100000000, 0.0001676300000000, 0.0000929900000000 ] - [ 0.0002874000000000, -0.0001089900000000, -0.0000571200000000 ] - [ -0.0019776300000000, 0.0027672500000000, -0.0055040400000000 ] - [ -0.0000895100000000, 0.0009051500000000, 0.0097168400000000 ] - [ -0.0002023000000000, 0.0001831100000000, 0.0001280200000000 ] - [ 0.0006676000000000, -0.0001008600000000, 0.0000974700000000 ] - [ 0.0000409600000000, -0.0001643000000000, 0.0003202000000000 ] - [ -0.0057684000000000, 0.0002078900000000, -0.0028680200000000 ] - [ 0.0002627600000000, -0.0005211500000000, -0.0041016000000000 ] - [ -0.0002508300000000, -0.0003996800000000, 0.0028016200000000 ] - [ 0.0035781900000000, -0.0000492000000000, 0.0027016400000000 ] - [ -0.0149799700000000, -0.0069121100000000, -0.0033652800000000 ] - [ -0.0003449700000000, 0.0001071700000000, -0.0006310400000000 ] - [ 0.0001847800000000, 0.0000387400000000, 0.0006782700000000 ] - [ 0.0037068700000000, -0.0009592000000000, 0.0096362600000000 ] - [ -0.0065701000000000, 0.0009644200000000, 0.0162628300000000 ] - [ -0.0003887100000000, -0.0000362800000000, -0.0002222900000000 ] - [ -0.0000940000000000, -0.0001007300000000, 0.0008490900000000 ] - [ 0.0103376200000000, 0.0039268400000000, 0.0231661200000000 ] - [ 0.0048570000000000, -0.0022572100000000, 0.0160209600000000 ] - [ -0.0007416000000000, -0.0000145500000000, 0.0001154000000000 ] - [ 0.0008970800000000, -0.0000182800000000, 0.0004240000000000 ] - [ -0.0176772000000000, -0.0009150500000000, 0.0110709200000000 ] - [ 0.0010918000000000, 0.0008351100000000, 0.0078095100000000 ] - [ -0.0012659400000000, -0.0000990800000000, 0.0007352700000000 ] - [ 0.0015848900000000, 0.0000371900000000, -0.0001993800000000 ] - [ -0.0087844300000000, 0.0018853700000000, -0.0043336600000000 ] - [ 0.0061179800000000, -0.0001067600000000, -0.0055080000000000 ] - [ -0.0009713400000000, -0.0000392800000000, 0.0006357800000000 ] - [ 0.0009727600000000, -0.0000106000000000, 0.0003047100000000 ] - [ -0.0026571100000000, 0.0000730600000000, 0.0036608200000000 ] - [ 0.0127827800000000, -0.0009678200000000, -0.0762789500000000 ] - [ -0.0002122600000000, -0.0001035800000000, -0.0008352200000000 ] - [ 0.0001064400000000, 0.0000778300000000, 0.0004432000000000 ] - [ -0.0013551600000000, 0.0000801300000000, 0.0086607700000000 ] - [ 0.0078599400000000, 0.0013243700000000, -0.0058706500000000 ] - [ -0.0024754800000000, -0.0000408600000000, -0.0024018600000000 ] - [ 0.0011194300000000, -0.0000039100000000, 0.0018008800000000 ] - [ -0.0024970700000000, 0.0002329400000000, 0.0043813900000000 ]- atom: 77 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0009788200000000, 0.0008198200000000, -0.0017321600000000 ] - [ -0.0007113100000000, -0.0009874300000000, -0.0027385400000000 ] - [ 0.0001080300000000, -0.0006879800000000, 0.0018254300000000 ] - [ 0.0008904400000000, 0.0006804900000000, 0.0016482700000000 ] - [ -0.0018639700000000, -0.0000415400000000, 0.0003231200000000 ] - [ 0.0021275200000000, -0.0002212000000000, -0.0025016700000000 ] - [ -0.0008948900000000, -0.0002432100000000, 0.0012734300000000 ] - [ 0.0010398800000000, -0.0000929500000000, 0.0005629500000000 ] - [ -0.0074370600000000, -0.0011738000000000, -0.0010740200000000 ] - [ -0.0000043300000000, -0.0002800100000000, -0.0008012000000000 ] - [ 0.0001205200000000, 0.0001018300000000, 0.0007354900000000 ] - [ 0.0039811700000000, 0.0000365900000000, 0.0020620200000000 ] - [ -0.0004381800000000, -0.0036582500000000, -0.0130940000000000 ] - [ -0.0001983300000000, 0.0001662600000000, -0.0002726700000000 ] - [ 0.0001026100000000, -0.0000928100000000, 0.0005680200000000 ] - [ -0.0001614000000000, -0.0007345100000000, 0.0054251600000000 ] - [ 0.0009988400000000, -0.0004746100000000, -0.0046098700000000 ] - [ -0.0000136000000000, 0.0002328600000000, -0.0005059200000000 ] - [ 0.0001515000000000, 0.0000019400000000, 0.0002363800000000 ] - [ 0.0010265600000000, -0.0023817300000000, 0.0074006500000000 ] - [ -0.0003429200000000, -0.0004638600000000, 0.0064398100000000 ] - [ -0.0039955900000000, -0.0002811200000000, 0.0032417600000000 ] - [ 0.0000243300000000, 0.0001647500000000, 0.0003254000000000 ] - [ 0.0025186200000000, 0.0033837500000000, 0.0066139400000000 ] - [ -0.0032103800000000, -0.0002313300000000, 0.0056013200000000 ] - [ 0.0003201500000000, 0.0000372900000000, 0.0000107100000000 ] - [ -0.0002003300000000, -0.0000400900000000, 0.0002805000000000 ] - [ 0.0077351500000000, 0.0005867000000000, -0.0006811200000000 ] - [ -0.0009602200000000, 0.0006745400000000, -0.0088530000000000 ] - [ -0.0008430100000000, 0.0000428300000000, -0.0001073200000000 ] - [ 0.0003114700000000, 0.0000393000000000, 0.0005486900000000 ] - [ -0.0030794300000000, 0.0005872100000000, 0.0061710500000000 ] - [ -0.0032312700000000, 0.0008132000000000, -0.0039918800000000 ] - [ 0.0024224900000000, 0.0003504500000000, -0.0013635000000000 ] - [ -0.0013068900000000, -0.0001222600000000, 0.0012227700000000 ] - [ 0.0013480000000000, 0.0001598400000000, 0.0031840500000000 ] - [ -0.0005249400000000, 0.0013032600000000, -0.0118305700000000 ] - [ 0.0009904500000000, 0.0001139300000000, -0.0011662200000000 ] - [ -0.0000819600000000, -0.0001733500000000, 0.0005574500000000 ] - [ -0.0012995500000000, 0.0001885300000000, 0.0044779800000000 ] - [ -0.0058621700000000, 0.0024906300000000, -0.0006687100000000 ] - [ 0.0007277700000000, 0.0002220900000000, 0.0001706800000000 ] - [ -0.0005794100000000, -0.0003050900000000, 0.0001275600000000 ] - [ 0.0022036000000000, 0.0015625700000000, 0.0053212900000000 ] - [ -0.0043442100000000, -0.0017349800000000, 0.0001248500000000 ] - [ 0.0003456000000000, 0.0000517400000000, 0.0002421200000000 ] - [ -0.0004319000000000, -0.0001126000000000, 0.0003831400000000 ] - [ 0.0021041400000000, -0.0029887400000000, 0.0051728700000000 ] - [ -0.0001492100000000, -0.0006937300000000, -0.0109257200000000 ] - [ 0.0006610600000000, 0.0001054200000000, 0.0001611700000000 ] - [ -0.0002110100000000, -0.0001876100000000, 0.0001880400000000 ] - [ -0.0001868600000000, -0.0004296900000000, -0.0003575900000000 ] - [ 0.0058118900000000, -0.0000511100000000, 0.0030268400000000 ] - [ -0.0002866700000000, 0.0006800500000000, 0.0039374900000000 ] - [ 0.0002118000000000, 0.0002438300000000, -0.0029691000000000 ] - [ -0.0035626500000000, -0.0001073000000000, -0.0025341700000000 ] - [ 0.0150524900000000, 0.0069419700000000, 0.0031456700000000 ] - [ 0.0002256500000000, -0.0000469300000000, 0.0006974200000000 ] - [ -0.0003109100000000, -0.0000990700000000, -0.0006145800000000 ] - [ -0.0036141000000000, 0.0008993200000000, -0.0097250800000000 ] - [ 0.0069148600000000, -0.0009190000000000, -0.0168171500000000 ] - [ -0.0000540000000000, 0.0000988300000000, 0.0008380600000000 ] - [ -0.0003502900000000, 0.0000386100000000, -0.0002386700000000 ] - [ -0.0100525300000000, -0.0040454200000000, -0.0240435000000000 ] - [ -0.0049297400000000, 0.0022714500000000, -0.0160946000000000 ] - [ 0.0009112600000000, 0.0000333600000000, 0.0000173000000000 ] - [ -0.0007299300000000, -0.0000007700000000, -0.0003048000000000 ] - [ 0.0176581300000000, 0.0008987400000000, -0.0112726500000000 ] - [ -0.0006663600000000, -0.0008626400000000, -0.0078806900000000 ] - [ 0.0008599500000000, 0.0000754900000000, -0.0006558500000000 ] - [ -0.0020031500000000, -0.0000137900000000, 0.0002671200000000 ] - [ 0.0091465900000000, -0.0018729000000000, 0.0044017900000000 ] - [ -0.0060515400000000, 0.0000744300000000, 0.0048024900000000 ] - [ 0.0009177900000000, 0.0000076800000000, 0.0001204300000000 ] - [ -0.0010264400000000, 0.0000423100000000, 0.0004598700000000 ] - [ 0.0026995000000000, -0.0000407400000000, -0.0044298600000000 ] - [ -0.0128755600000000, 0.0010581300000000, 0.0770580200000000 ] - [ 0.0001473300000000, -0.0000744500000000, 0.0005185900000000 ] - [ -0.0001688700000000, 0.0001003300000000, -0.0007589800000000 ] - [ 0.0014206400000000, 0.0000981000000000, -0.0083478300000000 ] - [ -0.0074206000000000, -0.0013420900000000, 0.0058842700000000 ] - [ 0.0020120000000000, 0.0000231800000000, 0.0023452000000000 ] - [ -0.0015690300000000, 0.0000223200000000, -0.0018694700000000 ] - [ 0.0029657200000000, -0.0002152800000000, -0.0043159200000000 ]- atom: 81 displacement: [ 0.0099999997812254, 0.0000000000000000, 0.0000020917676872 ] forces: - [ -0.0015083200000000, 0.0005306700000000, -0.0002424600000000 ] - [ -0.0017363500000000, -0.0005738100000000, -0.0006048500000000 ] - [ -0.0014270100000000, 0.0004466600000000, -0.0004108300000000 ] - [ -0.0010224100000000, -0.0004295700000000, -0.0002663700000000 ] - [ -0.0027094800000000, -0.0001184300000000, 0.0004603700000000 ] - [ -0.0018449500000000, 0.0001738700000000, -0.0004211800000000 ] - [ -0.0019586200000000, -0.0001943500000000, -0.0001472700000000 ] - [ -0.0018853400000000, 0.0000244000000000, -0.0000426100000000 ] - [ -0.0050877900000000, -0.0001821800000000, -0.0001938000000000 ] - [ -0.0037844100000000, -0.0001898000000000, -0.0000283200000000 ] - [ -0.0036880700000000, 0.0001558000000000, -0.0004739700000000 ] - [ -0.0024881700000000, 0.0001274000000000, -0.0004468500000000 ] - [ -0.0032413200000000, 0.0004040200000000, -0.0010995700000000 ] - [ -0.0026417300000000, -0.0002127000000000, 0.0006447400000000 ] - [ -0.0013269500000000, -0.0001184500000000, -0.0007687000000000 ] - [ -0.0009253800000000, -0.0002244500000000, 0.0000978300000000 ] - [ -0.0025428700000000, -0.0004813500000000, 0.0003853500000000 ] - [ -0.0013125100000000, 0.0004461100000000, 0.0005481600000000 ] - [ -0.0014342500000000, -0.0008971900000000, -0.0015626900000000 ] - [ -0.0005061200000000, 0.0002147900000000, -0.0001655200000000 ] - [ -0.0049778300000000, 0.0003500800000000, 0.0032592100000000 ] - [ -0.0027064500000000, -0.0001861600000000, 0.0001971800000000 ] - [ -0.0019429800000000, 0.0010824100000000, -0.0014011900000000 ] - [ -0.0002587400000000, -0.0000521600000000, -0.0005682600000000 ] - [ -0.0027231600000000, -0.0001422000000000, 0.0013089000000000 ] - [ -0.0014698900000000, 0.0000250100000000, 0.0002690900000000 ] - [ -0.0027936900000000, 0.0000307700000000, -0.0000601200000000 ] - [ -0.0011919700000000, -0.0001995700000000, -0.0017660200000000 ] - [ 0.0087857300000000, 0.0086078300000000, 0.0009237000000000 ] - [ -0.0014617600000000, 0.0003474700000000, 0.0030346600000000 ] - [ -0.0000817400000000, 0.0004135300000000, -0.0058365200000000 ] - [ 0.0018795100000000, -0.0001396100000000, 0.0006904800000000 ] - [ 0.0147395200000000, -0.0007416500000000, -0.0003418900000000 ] - [ 0.0132179100000000, 0.0033557400000000, 0.0010989700000000 ] - [ 0.0027626500000000, -0.0003906200000000, 0.0008195900000000 ] - [ 0.0068048800000000, 0.0003065000000000, 0.0030992400000000 ] - [ 0.0123719600000000, -0.0000878800000000, -0.0030550000000000 ] - [ -0.0052976100000000, 0.0011317600000000, 0.0019721100000000 ] - [ 0.0012660300000000, -0.0001586200000000, -0.0000556100000000 ] - [ 0.0005013100000000, -0.0000977100000000, 0.0042720900000000 ] - [ 0.0063004900000000, -0.0001709600000000, 0.0010168500000000 ] - [ 0.0013060000000000, -0.0018799700000000, -0.0034924100000000 ] - [ 0.0012022000000000, -0.0006672400000000, 0.0019866700000000 ] - [ 0.0045574500000000, 0.0013985300000000, 0.0079137000000000 ] - [ 0.0044740900000000, 0.0002892500000000, -0.0002062500000000 ] - [ -0.0026877400000000, 0.0015649000000000, -0.0059236100000000 ] - [ -0.0002071400000000, 0.0001959700000000, 0.0027473300000000 ] - [ 0.0074389100000000, -0.0048323200000000, 0.0012382400000000 ] - [ 0.0018621600000000, 0.0002167500000000, -0.0020941700000000 ] - [ -0.0061972800000000, 0.0004581000000000, -0.0018974900000000 ] - [ -0.0011864100000000, -0.0003272500000000, 0.0008100700000000 ] - [ -0.0011553800000000, -0.0004466600000000, 0.0001815000000000 ] - [ 0.0049111000000000, -0.0001959700000000, 0.0007706200000000 ] - [ 0.0039131100000000, 0.0004354800000000, 0.0007721300000000 ] - [ 0.0037115900000000, -0.0002904700000000, 0.0005226600000000 ] - [ 0.0028415800000000, 0.0002090800000000, 0.0008280300000000 ] - [ 0.0060771500000000, 0.0003869100000000, 0.0002370300000000 ] - [ 0.0036902800000000, -0.0002088800000000, -0.0011106700000000 ] - [ 0.0035558200000000, 0.0003393000000000, 0.0017679600000000 ] - [ 0.0021115600000000, -0.0001071400000000, 0.0000093500000000 ] - [ 0.0060785300000000, 0.0001931100000000, -0.0018993400000000 ] - [ 0.0019449500000000, 0.0002754300000000, -0.0002664900000000 ] - [ 0.0052534000000000, -0.0007152000000000, 0.0027059800000000 ] - [ 0.0002488900000000, 0.0001706600000000, 0.0011896000000000 ] - [ 0.0051417700000000, -0.0023372000000000, -0.0193769100000000 ] - [ 0.0007636100000000, 0.0001042600000000, -0.0040244200000000 ] - [ 0.0094111200000000, 0.0020089200000000, 0.0124218200000000 ] - [ -0.0045113100000000, -0.0000134800000000, -0.0003160700000000 ] - [ -0.0055932300000000, 0.0009535700000000, -0.0141349800000000 ] - [ -0.0028269200000000, -0.0000387200000000, -0.0026060200000000 ] - [ 0.0174898700000000, -0.0074074900000000, 0.0045226900000000 ] - [ -0.0242710800000000, 0.0009497000000000, 0.0045011600000000 ] - [ 0.0030602000000000, -0.0000347500000000, 0.0011322900000000 ] - [ 0.0036962800000000, -0.0000202400000000, 0.0007513600000000 ] - [ 0.0026370900000000, 0.0000108900000000, 0.0009520300000000 ] - [ 0.0033147400000000, 0.0000014800000000, -0.0008711100000000 ] - [ 0.0078935600000000, 0.0010440400000000, 0.0090560300000000 ] - [ 0.0054080700000000, -0.0000470700000000, -0.0016019500000000 ] - [ 0.0010783200000000, -0.0000127200000000, 0.0013740100000000 ] - [ 0.0006031500000000, 0.0001369700000000, -0.0025144800000000 ] - [ -0.0682970300000000, -0.0036399900000000, 0.0103791600000000 ] - [ 0.0019404300000000, -0.0000813600000000, -0.0118757900000000 ] - [ -0.0077566500000000, -0.0002400900000000, 0.0035002000000000 ] - [ -0.0035788700000000, 0.0000154700000000, -0.0021984200000000 ]- atom: 81 displacement: [ -0.0099999997812254, 0.0000000000000000, -0.0000020917676872 ] forces: - [ 0.0018236900000000, -0.0005592600000000, 0.0004940800000000 ] - [ 0.0014214500000000, 0.0005464200000000, 0.0003561000000000 ] - [ 0.0011110600000000, -0.0004180400000000, 0.0001589500000000 ] - [ 0.0013364100000000, 0.0004571200000000, 0.0005153600000000 ] - [ 0.0023366100000000, 0.0002332400000000, 0.0000168100000000 ] - [ 0.0022170100000000, -0.0000592600000000, -0.0000551500000000 ] - [ 0.0023312900000000, 0.0000798800000000, -0.0003315700000000 ] - [ 0.0015110100000000, -0.0001389400000000, 0.0005202200000000 ] - [ 0.0050849300000000, -0.0001475500000000, 0.0000989300000000 ] - [ 0.0037918100000000, -0.0001396800000000, 0.0001245200000000 ] - [ 0.0036949900000000, 0.0001742400000000, 0.0005678500000000 ] - [ 0.0024736500000000, 0.0002022200000000, 0.0003511600000000 ] - [ 0.0033336600000000, -0.0001478400000000, 0.0007995300000000 ] - [ 0.0025545600000000, 0.0004686400000000, -0.0003365500000000 ] - [ 0.0012430000000000, -0.0001382400000000, 0.0010732300000000 ] - [ 0.0010064800000000, -0.0000325200000000, -0.0004071500000000 ] - [ 0.0023922500000000, 0.0007133300000000, -0.0001203900000000 ] - [ 0.0014658600000000, -0.0002138200000000, -0.0008127500000000 ] - [ 0.0015869900000000, 0.0006632100000000, 0.0012923600000000 ] - [ 0.0003485500000000, -0.0004465700000000, 0.0004312500000000 ] - [ 0.0045015100000000, -0.0006358700000000, -0.0035505500000000 ] - [ 0.0028610200000000, -0.0004018700000000, -0.0001654300000000 ] - [ 0.0017961400000000, -0.0004885600000000, 0.0013619700000000 ] - [ 0.0003987000000000, 0.0006439500000000, 0.0006026000000000 ] - [ 0.0025747400000000, 0.0002209900000000, -0.0015974600000000 ] - [ 0.0016185800000000, 0.0000528400000000, 0.0000135900000000 ] - [ 0.0029395700000000, -0.0001080200000000, 0.0003413800000000 ] - [ 0.0010387500000000, 0.0001228800000000, 0.0014899300000000 ] - [ -0.0087789500000000, -0.0089077600000000, -0.0011488500000000 ] - [ 0.0011899800000000, -0.0003829900000000, -0.0027205300000000 ] - [ -0.0001946400000000, -0.0003770900000000, 0.0061258700000000 ] - [ -0.0016067400000000, 0.0001733300000000, -0.0010024000000000 ] - [ -0.0144783000000000, 0.0010842300000000, 0.0000497900000000 ] - [ -0.0131498700000000, -0.0029347600000000, -0.0009152300000000 ] - [ -0.0029773700000000, 0.0000418000000000, -0.0006549700000000 ] - [ -0.0065792300000000, -0.0006539300000000, -0.0032562100000000 ] - [ -0.0131870300000000, 0.0003789500000000, 0.0032512200000000 ] - [ 0.0059433300000000, -0.0008592300000000, -0.0023967100000000 ] - [ -0.0006254300000000, -0.0001035700000000, -0.0003727200000000 ] - [ -0.0011440800000000, -0.0001653900000000, -0.0038418700000000 ] - [ -0.0062546700000000, 0.0006087300000000, -0.0009869100000000 ] - [ -0.0009828300000000, 0.0022392500000000, 0.0036459400000000 ] - [ -0.0012444200000000, 0.0002371500000000, -0.0020254200000000 ] - [ -0.0045298300000000, -0.0018302600000000, -0.0078728200000000 ] - [ -0.0043366800000000, -0.0000769400000000, -0.0001474500000000 ] - [ 0.0025438700000000, -0.0013480100000000, 0.0062490900000000 ] - [ 0.0000678900000000, -0.0004145900000000, -0.0024127500000000 ] - [ -0.0074077400000000, 0.0046852300000000, -0.0013650400000000 ] - [ -0.0023401300000000, 0.0000709900000000, 0.0018079300000000 ] - [ 0.0066517800000000, -0.0001658300000000, 0.0021783200000000 ] - [ 0.0016517700000000, 0.0000396500000000, -0.0005213100000000 ] - [ 0.0010110300000000, -0.0001450300000000, -0.0002159200000000 ] - [ -0.0048810600000000, 0.0003528900000000, -0.0006067900000000 ] - [ -0.0039459800000000, -0.0002790100000000, -0.0009400100000000 ] - [ -0.0037436900000000, 0.0001333400000000, -0.0006859900000000 ] - [ -0.0028035900000000, -0.0003657700000000, -0.0006603700000000 ] - [ -0.0059674800000000, -0.0003229300000000, -0.0003027900000000 ] - [ -0.0038121400000000, 0.0002694300000000, 0.0011705300000000 ] - [ -0.0036770000000000, -0.0003996100000000, -0.0017000100000000 ] - [ -0.0019812700000000, 0.0000462500000000, -0.0000700800000000 ] - [ -0.0056308000000000, -0.0001407000000000, 0.0013025400000000 ] - [ -0.0023959400000000, -0.0002145800000000, 0.0008739700000000 ] - [ -0.0056942600000000, 0.0006532400000000, -0.0020897000000000 ] - [ 0.0002155400000000, -0.0002321700000000, -0.0017997100000000 ] - [ -0.0052688300000000, 0.0023625200000000, 0.0193223700000000 ] - [ -0.0006073500000000, -0.0000877200000000, 0.0041404200000000 ] - [ -0.0092024400000000, -0.0020255300000000, -0.0122448100000000 ] - [ 0.0043633100000000, 0.0000000300000000, 0.0002077300000000 ] - [ 0.0060330100000000, -0.0009784000000000, 0.0140592500000000 ] - [ 0.0023991000000000, 0.0000157600000000, 0.0026795600000000 ] - [ -0.0178524900000000, 0.0073175500000000, -0.0044358300000000 ] - [ 0.0247206000000000, -0.0009360500000000, -0.0044738500000000 ] - [ -0.0030045300000000, 0.0000035700000000, -0.0018975600000000 ] - [ -0.0037484600000000, -0.0000113700000000, 0.0000099000000000 ] - [ -0.0026902900000000, 0.0000205600000000, -0.0001919900000000 ] - [ -0.0032605500000000, 0.0000300100000000, 0.0001152500000000 ] - [ -0.0078462300000000, -0.0012413900000000, -0.0088001900000000 ] - [ -0.0054628600000000, -0.0001307000000000, 0.0012790000000000 ] - [ -0.0011493300000000, 0.0001909700000000, -0.0016867200000000 ] - [ -0.0005271500000000, 0.0000416000000000, 0.0028379800000000 ] - [ 0.0685120100000000, 0.0039064300000000, -0.0105659800000000 ] - [ -0.0024328600000000, 0.0000656900000000, 0.0117708400000000 ] - [ 0.0072750200000000, 0.0002563500000000, -0.0035705300000000 ] - [ 0.0040319700000000, 0.0000029000000000, 0.0022697200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001147300000000, 0.0000032600000000, 0.0001036700000000 ] - [ -0.0001951100000000, -0.0000322400000000, -0.0001519600000000 ] - [ -0.0001804000000000, 0.0000171900000000, -0.0001151700000000 ] - [ 0.0001382600000000, 0.0000110800000000, 0.0001296900000000 ] - [ -0.0002468700000000, 0.0000536400000000, 0.0002414200000000 ] - [ 0.0001470200000000, 0.0000585500000000, -0.0002536500000000 ] - [ 0.0001341600000000, -0.0000610900000000, -0.0002254100000000 ] - [ -0.0002170200000000, -0.0000555200000000, 0.0002364400000000 ] - [ -0.0001505800000000, -0.0001825300000000, -0.0000738600000000 ] - [ -0.0000900500000000, -0.0001657000000000, 0.0000391600000000 ] - [ -0.0000674700000000, 0.0001669500000000, 0.0000444700000000 ] - [ -0.0000138900000000, 0.0001658700000000, -0.0000467100000000 ] - [ 0.0000355300000000, 0.0001550800000000, -0.0002369600000000 ] - [ -0.0001066900000000, 0.0001212300000000, 0.0001504500000000 ] - [ -0.0000738300000000, -0.0001247700000000, 0.0001466200000000 ] - [ 0.0000420600000000, -0.0001320000000000, -0.0001059200000000 ] - [ -0.0002525100000000, 0.0000231500000000, 0.0000831900000000 ] - [ 0.0000387200000000, 0.0001268800000000, -0.0001308500000000 ] - [ 0.0000609500000000, -0.0001215300000000, -0.0001267500000000 ] - [ -0.0000524000000000, -0.0001183500000000, 0.0001584800000000 ] - [ -0.0007997900000000, -0.0004146600000000, 0.0004537700000000 ] - [ -0.0000158600000000, -0.0002235400000000, 0.0000243200000000 ] - [ -0.0001102000000000, 0.0002947100000000, -0.0000341800000000 ] - [ 0.0001251700000000, 0.0002951900000000, 0.0000467500000000 ] - [ -0.0002151900000000, 0.0000469700000000, -0.0000667500000000 ] - [ 0.0000316000000000, 0.0000397900000000, 0.0001490400000000 ] - [ 0.0000475900000000, -0.0000447600000000, 0.0001231500000000 ] - [ -0.0000718800000000, -0.0000569200000000, -0.0002694100000000 ] - [ 0.0072264800000000, 0.0003951800000000, -0.0014090700000000 ] - [ -0.0001994100000000, -0.0000054400000000, 0.0002177100000000 ] - [ -0.0001155900000000, 0.0001841300000000, 0.0002465100000000 ] - [ 0.0002270100000000, 0.0000369600000000, -0.0000028000000000 ] - [ -0.0000396600000000, 0.0038708500000000, -0.0000569600000000 ] - [ 0.0023973800000000, 0.0099584700000000, -0.0002675000000000 ] - [ -0.0001038700000000, -0.0001670800000000, 0.0001341700000000 ] - [ 0.0001500600000000, 0.0003437100000000, -0.0004235700000000 ] - [ 0.0000508400000000, 0.0040897000000000, 0.0002301400000000 ] - [ 0.0001068300000000, -0.0001408000000000, -0.0002748400000000 ] - [ 0.0002991600000000, -0.0001299600000000, -0.0001537700000000 ] - [ -0.0002214900000000, 0.0002686600000000, -0.0000230200000000 ] - [ 0.0000443400000000, 0.0002077500000000, 0.0000590300000000 ] - [ -0.0003578000000000, 0.0017425200000000, -0.0002013900000000 ] - [ -0.0000384500000000, -0.0002284200000000, 0.0000219200000000 ] - [ -0.0009752600000000, -0.0003066300000000, 0.0021662800000000 ] - [ -0.0000203500000000, 0.0001966600000000, 0.0002794500000000 ] - [ -0.0006537500000000, 0.0000872900000000, 0.0000545200000000 ] - [ -0.0001133900000000, -0.0001144100000000, 0.0002544300000000 ] - [ -0.0014610000000000, 0.0009715200000000, 0.0021259000000000 ] - [ -0.0000219900000000, 0.0001730000000000, -0.0001950100000000 ] - [ 0.0004496200000000, 0.0002641500000000, 0.0002192400000000 ] - [ 0.0001500800000000, -0.0001532700000000, 0.0001636500000000 ] - [ -0.0001080000000000, -0.0003036500000000, -0.0000217500000000 ] - [ 0.0001493300000000, 0.0000709000000000, 0.0001199100000000 ] - [ 0.0000760000000000, 0.0000879500000000, -0.0000407500000000 ] - [ 0.0000586200000000, -0.0000791900000000, -0.0000949400000000 ] - [ 0.0000483600000000, -0.0000734800000000, 0.0000783200000000 ] - [ 0.0001995100000000, 0.0001198700000000, 0.0000824600000000 ] - [ 0.0000348500000000, 0.0000230500000000, 0.0000254500000000 ] - [ 0.0000104900000000, -0.0000380700000000, 0.0000492600000000 ] - [ 0.0000480200000000, -0.0000375200000000, -0.0000935100000000 ] - [ 0.0006849800000000, -0.0000828800000000, -0.0003761600000000 ] - [ -0.0001374900000000, 0.0000386000000000, 0.0003042800000000 ] - [ -0.0001848400000000, 0.0000076700000000, 0.0003094900000000 ] - [ 0.0000276100000000, -0.0000051500000000, -0.0002979800000000 ] - [ -0.0014393500000000, 0.0103303200000000, -0.0004490800000000 ] - [ 0.0001544200000000, 0.0000227100000000, -0.0000139400000000 ] - [ 0.0004142600000000, -0.0013284800000000, -0.0001161900000000 ] - [ -0.0003505000000000, -0.0000825700000000, -0.0001907200000000 ] - [ 0.0005587100000000, -0.0033023300000000, 0.0008105800000000 ] - [ -0.0001795800000000, -0.0000115300000000, -0.0000611000000000 ] - [ -0.0031519000000000, 0.0059930700000000, -0.0005252000000000 ] - [ 0.0005681400000000, -0.0029666700000000, -0.0035307000000000 ] - [ 0.0000666600000000, -0.0000161300000000, -0.0003278100000000 ] - [ 0.0000533600000000, -0.0000151500000000, 0.0003943500000000 ] - [ 0.0000314700000000, 0.0000159300000000, 0.0003877700000000 ] - [ 0.0001124600000000, 0.0000145300000000, -0.0004227200000000 ] - [ 0.0013630000000000, 0.0014875400000000, 0.0016879500000000 ] - [ 0.0001004200000000, -0.0001233900000000, -0.0001093000000000 ] - [ 0.0000064600000000, 0.0000880900000000, -0.0001639400000000 ] - [ 0.0000366000000000, 0.0001234400000000, -0.0000632900000000 ] - [ -0.0036848600000000, -0.0347364300000000, -0.0000989300000000 ] - [ -0.0001400400000000, 0.0028472000000000, -0.0005070600000000 ] - [ -0.0004790300000000, 0.0005075200000000, -0.0001349300000000 ] - [ 0.0002160600000000, 0.0000337500000000, -0.0000678900000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001979400000000, -0.0000311400000000, 0.0001475600000000 ] - [ -0.0001217700000000, 0.0000038300000000, -0.0000976000000000 ] - [ -0.0001360200000000, 0.0000120500000000, -0.0001372200000000 ] - [ 0.0001745000000000, 0.0000163200000000, 0.0001189900000000 ] - [ -0.0001306200000000, 0.0000603200000000, 0.0002384900000000 ] - [ 0.0002232700000000, 0.0000559400000000, -0.0002244700000000 ] - [ 0.0002381400000000, -0.0000529500000000, -0.0002543200000000 ] - [ -0.0001604700000000, -0.0000582900000000, 0.0002417700000000 ] - [ 0.0001385400000000, -0.0001464400000000, -0.0000189100000000 ] - [ 0.0000925800000000, -0.0001643100000000, 0.0000562400000000 ] - [ 0.0000712600000000, 0.0001638100000000, 0.0000488800000000 ] - [ -0.0000013400000000, 0.0001641700000000, -0.0000501400000000 ] - [ 0.0000405800000000, 0.0001031300000000, -0.0000623500000000 ] - [ 0.0000168400000000, 0.0001360400000000, 0.0001561300000000 ] - [ -0.0000116400000000, -0.0001327600000000, 0.0001556800000000 ] - [ 0.0000405200000000, -0.0001255600000000, -0.0002024800000000 ] - [ 0.0001022600000000, 0.0002123000000000, 0.0001895700000000 ] - [ 0.0001132400000000, 0.0001051800000000, -0.0001340100000000 ] - [ 0.0000906800000000, -0.0001120400000000, -0.0001429800000000 ] - [ -0.0001038500000000, -0.0001123200000000, 0.0001039000000000 ] - [ 0.0003620600000000, 0.0001365700000000, -0.0007583900000000 ] - [ 0.0001606100000000, -0.0003724600000000, 0.0000148600000000 ] - [ -0.0000371800000000, 0.0002995700000000, -0.0000049900000000 ] - [ 0.0000142800000000, 0.0002962900000000, -0.0000157900000000 ] - [ 0.0000674300000000, 0.0000291700000000, -0.0002147300000000 ] - [ 0.0001170500000000, 0.0000377900000000, 0.0001320500000000 ] - [ 0.0000981200000000, -0.0000322000000000, 0.0001568200000000 ] - [ -0.0000829600000000, -0.0000189900000000, -0.0000089800000000 ] - [ -0.0072533000000000, -0.0007469400000000, 0.0012069900000000 ] - [ -0.0000706900000000, -0.0000280800000000, 0.0000871200000000 ] - [ -0.0001596800000000, -0.0001415400000000, 0.0000498100000000 ] - [ 0.0000515200000000, -0.0000056000000000, -0.0003084500000000 ] - [ 0.0002914400000000, -0.0035380700000000, -0.0001157800000000 ] - [ -0.0020215200000000, -0.0095701400000000, 0.0004287400000000 ] - [ -0.0001103600000000, -0.0001809600000000, 0.0000260900000000 ] - [ 0.0000784500000000, -0.0006957900000000, 0.0002658600000000 ] - [ -0.0007123700000000, -0.0038132900000000, 0.0001553400000000 ] - [ 0.0004630500000000, 0.0003900400000000, -0.0001441300000000 ] - [ 0.0003323100000000, -0.0001317300000000, -0.0002730500000000 ] - [ -0.0004059400000000, -0.0005392900000000, 0.0004479700000000 ] - [ 0.0000125100000000, 0.0002445300000000, -0.0000229600000000 ] - [ 0.0003026500000000, -0.0013614200000000, 0.0001472600000000 ] - [ -0.0000042400000000, -0.0002003700000000, -0.0000616300000000 ] - [ 0.0010265500000000, -0.0001515600000000, -0.0021646200000000 ] - [ 0.0001611400000000, 0.0000134700000000, -0.0006481100000000 ] - [ 0.0004759300000000, 0.0001520700000000, 0.0002350200000000 ] - [ -0.0000309000000000, -0.0001104200000000, 0.0000844100000000 ] - [ 0.0015937100000000, -0.0011841600000000, -0.0024399300000000 ] - [ -0.0004486100000000, 0.0001145700000000, -0.0000910700000000 ] - [ 0.0000055300000000, 0.0000317300000000, 0.0000601800000000 ] - [ 0.0003110900000000, -0.0001362600000000, 0.0001175800000000 ] - [ -0.0000374200000000, -0.0002887400000000, -0.0000130100000000 ] - [ -0.0001116500000000, 0.0000855500000000, 0.0000447800000000 ] - [ -0.0001026500000000, 0.0000691300000000, -0.0001261600000000 ] - [ -0.0000869500000000, -0.0000777900000000, -0.0000683000000000 ] - [ -0.0000090900000000, -0.0000826200000000, 0.0000907200000000 ] - [ -0.0000699700000000, -0.0000640400000000, -0.0001590300000000 ] - [ -0.0001540000000000, 0.0000370400000000, 0.0000366000000000 ] - [ -0.0001302600000000, -0.0000214300000000, 0.0000211600000000 ] - [ 0.0000839600000000, -0.0000221900000000, 0.0000343000000000 ] - [ -0.0002563700000000, 0.0001506300000000, -0.0002402400000000 ] - [ -0.0003061100000000, 0.0000239400000000, 0.0003057900000000 ] - [ -0.0002513800000000, -0.0000700900000000, 0.0003080400000000 ] - [ 0.0004312300000000, -0.0000582000000000, -0.0003075300000000 ] - [ 0.0011304100000000, -0.0103956100000000, 0.0004932100000000 ] - [ 0.0000060800000000, -0.0000009800000000, 0.0001385100000000 ] - [ -0.0002589300000000, 0.0012618200000000, 0.0002412900000000 ] - [ 0.0001884200000000, 0.0000833700000000, 0.0000802400000000 ] - [ -0.0001450200000000, 0.0033254500000000, -0.0009200700000000 ] - [ -0.0002399000000000, -0.0000136800000000, 0.0001325000000000 ] - [ 0.0029547300000000, -0.0058786500000000, 0.0006831200000000 ] - [ -0.0001592300000000, 0.0029299700000000, 0.0035911000000000 ] - [ -0.0000055300000000, -0.0000148700000000, -0.0004311200000000 ] - [ -0.0001022900000000, -0.0000160900000000, 0.0003658400000000 ] - [ -0.0000819700000000, 0.0000154400000000, 0.0003722600000000 ] - [ -0.0000554700000000, 0.0000168500000000, -0.0003348500000000 ] - [ -0.0013167700000000, -0.0016486700000000, -0.0014183800000000 ] - [ -0.0001575900000000, -0.0000552000000000, -0.0002132200000000 ] - [ -0.0000709400000000, 0.0000892700000000, -0.0001493400000000 ] - [ 0.0000289500000000, 0.0000535800000000, 0.0003889400000000 ] - [ 0.0038649000000000, 0.0350490500000000, -0.0000081700000000 ] - [ -0.0002876800000000, -0.0028653900000000, 0.0003497100000000 ] - [ 0.0000170500000000, -0.0004857900000000, 0.0000899100000000 ] - [ 0.0002291100000000, -0.0000148400000000, 0.0001451500000000 ]- atom: 81 displacement: [ -0.0015084285432017, 0.0000000000000000, 0.0098855775415529 ] forces: - [ 0.0003346000000000, -0.0002193000000000, 0.0005789100000000 ] - [ -0.0000803800000000, 0.0001741200000000, 0.0003878100000000 ] - [ -0.0001307700000000, 0.0001592700000000, -0.0005895300000000 ] - [ 0.0001025200000000, -0.0001420900000000, -0.0002849900000000 ] - [ 0.0000428300000000, 0.0000452800000000, 0.0005302100000000 ] - [ -0.0000506400000000, 0.0000898300000000, -0.0000290500000000 ] - [ 0.0005773500000000, -0.0000162600000000, -0.0004573600000000 ] - [ -0.0002552300000000, -0.0000777700000000, -0.0000591100000000 ] - [ 0.0008237900000000, -0.0001441400000000, 0.0008835800000000 ] - [ 0.0004589500000000, -0.0001718600000000, 0.0001570600000000 ] - [ -0.0001662100000000, 0.0001590400000000, -0.0000596200000000 ] - [ -0.0004305300000000, 0.0001661500000000, -0.0007210200000000 ] - [ -0.0014989700000000, 0.0005831500000000, 0.0021782500000000 ] - [ 0.0004091700000000, 0.0001529700000000, 0.0004895800000000 ] - [ -0.0002520800000000, -0.0001382500000000, -0.0002039700000000 ] - [ 0.0008886500000000, 0.0001546600000000, -0.0017553500000000 ] - [ 0.0007228300000000, 0.0008873900000000, 0.0029698400000000 ] - [ 0.0005197500000000, 0.0000062300000000, -0.0001103800000000 ] - [ -0.0002661400000000, -0.0002139400000000, -0.0002984200000000 ] - [ -0.0003923900000000, 0.0003959200000000, -0.0019399600000000 ] - [ 0.0072012500000000, -0.0016787600000000, 0.0002907700000000 ] - [ 0.0020061800000000, -0.0010996500000000, 0.0020773200000000 ] - [ -0.0004657300000000, 0.0003599300000000, -0.0000656700000000 ] - [ -0.0009137700000000, -0.0003488200000000, -0.0016801200000000 ] - [ 0.0018058300000000, 0.0000982200000000, -0.0003138400000000 ] - [ 0.0004102800000000, -0.0000089900000000, -0.0003586900000000 ] - [ -0.0002147100000000, -0.0000781000000000, 0.0007104900000000 ] - [ -0.0013531700000000, -0.0000297900000000, -0.0004213100000000 ] - [ 0.0010745700000000, -0.0042357900000000, 0.0126492900000000 ] - [ 0.0035246400000000, -0.0005415200000000, -0.0012777400000000 ] - [ -0.0022953900000000, -0.0002590900000000, -0.0005120500000000 ] - [ -0.0001334300000000, -0.0006504300000000, -0.0059553200000000 ] - [ -0.0026078000000000, 0.0001041800000000, 0.0114290600000000 ] - [ -0.0020895700000000, 0.0007379000000000, 0.0125129600000000 ] - [ -0.0001801700000000, -0.0000389000000000, -0.0033361800000000 ] - [ -0.0013833800000000, -0.0004210800000000, -0.0078036900000000 ] - [ -0.0061980600000000, -0.0003152400000000, 0.0076849100000000 ] - [ 0.0006493800000000, 0.0007862000000000, 0.0040202200000000 ] - [ 0.0003664000000000, 0.0000203900000000, -0.0028052300000000 ] - [ 0.0030871000000000, -0.0004417100000000, -0.0059500000000000 ] - [ -0.0023696600000000, 0.0035694300000000, -0.0072341500000000 ] - [ -0.0016444800000000, 0.0023231400000000, 0.0045174500000000 ] - [ 0.0001409100000000, 0.0006578400000000, -0.0025452600000000 ] - [ 0.0028701200000000, -0.0002100900000000, -0.0054608800000000 ] - [ -0.0015656800000000, -0.0020517000000000, -0.0081130500000000 ] - [ -0.0012362600000000, -0.0006268200000000, 0.0031090200000000 ] - [ 0.0007446600000000, -0.0006036200000000, -0.0030495700000000 ] - [ -0.0040843800000000, 0.0014930500000000, 0.0062237900000000 ] - [ -0.0040925500000000, -0.0002006500000000, -0.0022327900000000 ] - [ -0.0022094300000000, 0.0001574300000000, 0.0007849100000000 ] - [ 0.0017940300000000, -0.0000106200000000, -0.0010933700000000 ] - [ 0.0003755700000000, -0.0002576600000000, -0.0000404800000000 ] - [ -0.0006155400000000, 0.0001242800000000, -0.0007201200000000 ] - [ -0.0002181800000000, 0.0000203400000000, -0.0007943500000000 ] - [ -0.0000921700000000, -0.0001213100000000, 0.0005612900000000 ] - [ 0.0003224200000000, -0.0000492800000000, 0.0008049300000000 ] - [ -0.0011046200000000, -0.0002626000000000, -0.0045702100000000 ] - [ -0.0007763800000000, 0.0001651600000000, -0.0002058300000000 ] - [ 0.0003446700000000, 0.0000890500000000, 0.0003886300000000 ] - [ 0.0005261500000000, -0.0001713800000000, 0.0029679600000000 ] - [ -0.0057057600000000, 0.0002519000000000, -0.0033538700000000 ] - [ -0.0015367500000000, -0.0000172200000000, 0.0006726100000000 ] - [ 0.0011588200000000, -0.0001631400000000, 0.0001355900000000 ] - [ 0.0037608700000000, 0.0002189300000000, 0.0026477300000000 ] - [ -0.0167967900000000, 0.0069637500000000, -0.0008001900000000 ] - [ -0.0021324300000000, -0.0000665400000000, 0.0043356100000000 ] - [ 0.0053923700000000, 0.0011914100000000, 0.0007358900000000 ] - [ 0.0043449400000000, 0.0010716700000000, 0.0094691800000000 ] - [ -0.0043426800000000, -0.0006663500000000, 0.0190398300000000 ] - [ -0.0002646500000000, -0.0003778700000000, 0.0049285300000000 ] - [ 0.0004399900000000, -0.0038906900000000, -0.0112602600000000 ] - [ 0.0102867100000000, -0.0040591300000000, 0.0320498000000000 ] - [ 0.0009478900000000, 0.0000021000000000, -0.0004627900000000 ] - [ -0.0002602700000000, -0.0000277000000000, -0.0000970000000000 ] - [ -0.0000361000000000, 0.0000056400000000, 0.0007991500000000 ] - [ -0.0010609700000000, 0.0000427100000000, -0.0001038800000000 ] - [ 0.0064002100000000, 0.0006401700000000, -0.0058880500000000 ] - [ -0.0013428000000000, -0.0000678700000000, -0.0023786300000000 ] - [ 0.0005925200000000, 0.0000870700000000, 0.0015623600000000 ] - [ -0.0025333600000000, 0.0001534700000000, 0.0045298000000000 ] - [ 0.0211221800000000, 0.0003924500000000, -0.0786952700000000 ] - [ -0.0122078500000000, 0.0004237600000000, 0.0031084800000000 ] - [ 0.0044202200000000, -0.0000647000000000, 0.0052931800000000 ] - [ -0.0014030700000000, 0.0001128200000000, 0.0078726600000000 ]- atom: 81 displacement: [ 0.0015084285432017, 0.0000000000000000, -0.0098855775415529 ] forces: - [ -0.0000178000000000, 0.0001905200000000, -0.0003299900000000 ] - [ -0.0002338500000000, -0.0002025800000000, -0.0006382600000000 ] - [ -0.0001818800000000, -0.0001322800000000, 0.0003418400000000 ] - [ 0.0002155100000000, 0.0001720200000000, 0.0005366600000000 ] - [ -0.0004112100000000, 0.0000700400000000, -0.0000534900000000 ] - [ 0.0004250600000000, 0.0000246600000000, -0.0004492600000000 ] - [ -0.0002014800000000, -0.0000984600000000, -0.0000182200000000 ] - [ -0.0001141600000000, -0.0000374100000000, 0.0005358000000000 ] - [ -0.0008301200000000, -0.0001851600000000, -0.0009786100000000 ] - [ -0.0004475700000000, -0.0001571800000000, -0.0000632900000000 ] - [ 0.0001823500000000, 0.0001697900000000, 0.0001583300000000 ] - [ 0.0004301000000000, 0.0001629000000000, 0.0006255500000000 ] - [ 0.0015851000000000, -0.0003280300000000, -0.0024899000000000 ] - [ -0.0004884500000000, 0.0001043300000000, -0.0001873000000000 ] - [ 0.0001675700000000, -0.0001169600000000, 0.0005175500000000 ] - [ -0.0007978800000000, -0.0004100700000000, 0.0014489300000000 ] - [ -0.0008789500000000, -0.0006543900000000, -0.0026984400000000 ] - [ -0.0003661100000000, 0.0002273800000000, -0.0001643100000000 ] - [ 0.0004231800000000, -0.0000161800000000, 0.0000376200000000 ] - [ 0.0002441700000000, -0.0006303800000000, 0.0022087400000000 ] - [ -0.0076541200000000, 0.0013869700000000, -0.0005546900000000 ] - [ -0.0018611500000000, 0.0005057800000000, -0.0020354800000000 ] - [ 0.0003263800000000, 0.0002297800000000, 0.0000359700000000 ] - [ 0.0010648300000000, 0.0009426000000000, 0.0017174600000000 ] - [ -0.0019501600000000, -0.0000213600000000, 0.0000352900000000 ] - [ -0.0002645400000000, 0.0000873200000000, 0.0006417000000000 ] - [ 0.0003690900000000, 0.0000002000000000, -0.0004269500000000 ] - [ 0.0012123800000000, -0.0000483500000000, 0.0001330900000000 ] - [ -0.0008332900000000, 0.0041859100000000, -0.0129394400000000 ] - [ -0.0038209200000000, 0.0005083900000000, 0.0015749000000000 ] - [ 0.0020096700000000, 0.0002919300000000, 0.0008492700000000 ] - [ 0.0004170000000000, 0.0006857400000000, 0.0056622800000000 ] - [ 0.0031565300000000, 0.0002475300000000, -0.0126171200000000 ] - [ 0.0018686000000000, -0.0004382000000000, -0.0123766300000000 ] - [ -0.0000501200000000, -0.0003095800000000, 0.0035009400000000 ] - [ 0.0015971500000000, 0.0000696100000000, 0.0076021900000000 ] - [ 0.0054285000000000, 0.0006108400000000, -0.0076280900000000 ] - [ 0.0000297300000000, -0.0005248400000000, -0.0044805100000000 ] - [ 0.0002570900000000, -0.0002826800000000, 0.0023784700000000 ] - [ -0.0037101700000000, 0.0001723500000000, 0.0063809600000000 ] - [ 0.0024337700000000, -0.0031550800000000, 0.0073150200000000 ] - [ 0.0016767300000000, -0.0018920400000000, -0.0044938400000000 ] - [ -0.0001956200000000, -0.0010853300000000, 0.0025010900000000 ] - [ -0.0027969200000000, -0.0001895100000000, 0.0055037100000000 ] - [ 0.0017188100000000, 0.0022724000000000, 0.0078001900000000 ] - [ 0.0011058400000000, 0.0008324000000000, -0.0027315500000000 ] - [ -0.0008930500000000, 0.0003836300000000, 0.0033792800000000 ] - [ 0.0038458300000000, -0.0015551600000000, -0.0060357400000000 ] - [ 0.0036564200000000, 0.0004904200000000, 0.0019410800000000 ] - [ 0.0026990000000000, 0.0001312600000000, -0.0004842800000000 ] - [ -0.0013442800000000, -0.0002779400000000, 0.0013839100000000 ] - [ -0.0005225700000000, -0.0003364300000000, 0.0000002600000000 ] - [ 0.0006462200000000, 0.0000331900000000, 0.0008857300000000 ] - [ 0.0001803600000000, 0.0001367600000000, 0.0006313600000000 ] - [ 0.0000501900000000, -0.0000352800000000, -0.0007298300000000 ] - [ -0.0002954400000000, -0.0001084400000000, -0.0006428100000000 ] - [ 0.0012292500000000, 0.0003255500000000, 0.0045085900000000 ] - [ 0.0006519800000000, -0.0001047600000000, 0.0002775100000000 ] - [ -0.0004743800000000, -0.0001513400000000, -0.0003371500000000 ] - [ -0.0004133100000000, 0.0001115900000000, -0.0030309900000000 ] - [ 0.0061529200000000, -0.0001888000000000, 0.0027279000000000 ] - [ 0.0010956800000000, 0.0000789600000000, -0.0000544300000000 ] - [ -0.0016263000000000, 0.0001044800000000, 0.0004648400000000 ] - [ -0.0033303200000000, -0.0002819900000000, -0.0032590200000000 ] - [ 0.0165399300000000, -0.0069104800000000, 0.0005570300000000 ] - [ 0.0023114500000000, 0.0000851900000000, -0.0042131400000000 ] - [ -0.0052539600000000, -0.0012258000000000, -0.0006865900000000 ] - [ -0.0045469900000000, -0.0010887400000000, -0.0096160100000000 ] - [ 0.0046826900000000, 0.0006567800000000, -0.0190143800000000 ] - [ -0.0001395500000000, 0.0003539400000000, -0.0048514200000000 ] - [ -0.0010050100000000, 0.0039386000000000, 0.0112917900000000 ] - [ -0.0099970200000000, 0.0041455700000000, -0.0326260800000000 ] - [ -0.0008989100000000, -0.0000337500000000, -0.0002957000000000 ] - [ 0.0001997100000000, -0.0000040100000000, 0.0008576200000000 ] - [ -0.0000194900000000, 0.0000261100000000, -0.0000389300000000 ] - [ 0.0011092900000000, -0.0000110300000000, -0.0006611100000000 ] - [ -0.0063257000000000, -0.0008194200000000, 0.0062566600000000 ] - [ 0.0012628800000000, -0.0001110500000000, 0.0020815400000000 ] - [ -0.0006542500000000, 0.0000923500000000, -0.0018880900000000 ] - [ 0.0025871300000000, 0.0000252500000000, -0.0042201100000000 ] - [ -0.0202632300000000, -0.0006520300000000, 0.0800646800000000 ] - [ 0.0118297900000000, -0.0004448600000000, -0.0031412700000000 ] - [ -0.0048346900000000, 0.0000824900000000, -0.0053662900000000 ] - [ 0.0018690500000000, -0.0000961600000000, -0.0078046000000000 ]