# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d3e97e22-84d8-4e10-8986-9a17521da5e4/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 Sr2AlCO3F5 / P2_1/c (14) / materials id 555467](https://mdr.nims.go.jp/datasets/a8080a23-e224-4085-b98b-0d05a68e33fe) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.455726710000000, 0.000000000000000, 0.004327550000000 ] # a - [ 0.000000000000000, 8.666335549999999, 0.000000000000000 ] # b - [ -3.548666950000000, 0.000000000000000, 12.977570940000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.304850920000000, 0.859483540000000, 0.587991640000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.695149080000000, 0.359483540000000, 0.912008360000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.692486380000000, 0.609187920000000, 0.402077050000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.307513620000000, 0.109187920000000, 0.097922950000000 ] mass: 87.620000 - symbol: Sr # 5 coordinates: [ 0.307513620000000, 0.390812080000000, 0.597922950000000 ] mass: 87.620000 - symbol: Sr # 6 coordinates: [ 0.695149080000000, 0.140516460000000, 0.412008360000000 ] mass: 87.620000 - symbol: Sr # 7 coordinates: [ 0.692486380000000, 0.890812080000000, 0.902077050000000 ] mass: 87.620000 - symbol: Sr # 8 coordinates: [ 0.304850920000000, 0.640516460000000, 0.087991640000000 ] mass: 87.620000 - symbol: Al # 9 coordinates: [ 0.802223100000000, 0.128026390000000, 0.668998720000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.197776900000000, 0.871973610000000, 0.331001280000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.802223100000000, 0.371973610000000, 0.168998720000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.197776900000000, 0.628026390000000, 0.831001280000000 ] mass: 26.981539 - symbol: C # 13 coordinates: [ 0.825172940000000, 0.624766510000000, 0.638795500000000 ] mass: 12.010700 - symbol: C # 14 coordinates: [ 0.825172940000000, 0.875233490000000, 0.138795500000000 ] mass: 12.010700 - symbol: C # 15 coordinates: [ 0.174827060000000, 0.124766510000000, 0.861204500000000 ] mass: 12.010700 - symbol: C # 16 coordinates: [ 0.174827060000000, 0.375233490000000, 0.361204500000000 ] mass: 12.010700 - symbol: O # 17 coordinates: [ 0.001405600000000, 0.124151340000000, 0.910885390000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.998594400000000, 0.875848660000000, 0.089114610000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.120091060000000, 0.128773470000000, 0.761967670000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.411758300000000, 0.121190500000000, 0.913394210000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.588241700000000, 0.621190500000000, 0.586605790000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.001405600000000, 0.375848660000000, 0.410885390000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.879908940000000, 0.871226530000000, 0.238032330000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.879908940000000, 0.628773470000000, 0.738032330000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.120091060000000, 0.371226530000000, 0.261967670000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.588241700000000, 0.878809500000000, 0.086605790000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.411758300000000, 0.378809500000000, 0.413394210000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.998594400000000, 0.624151340000000, 0.589114610000000 ] mass: 15.999400 - symbol: F # 29 coordinates: [ 0.330124450000000, 0.724966650000000, 0.265795960000000 ] mass: 18.998403 - symbol: F # 30 coordinates: [ 0.108812830000000, 0.778009790000000, 0.910183500000000 ] mass: 18.998403 - symbol: F # 31 coordinates: [ 0.512187300000000, 0.871441490000000, 0.430769690000000 ] mass: 18.998403 - symbol: F # 32 coordinates: [ 0.512187300000000, 0.628558510000000, 0.930769690000000 ] mass: 18.998403 - symbol: F # 33 coordinates: [ 0.487812700000000, 0.128558510000000, 0.569230310000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.325632040000000, 0.029536470000000, 0.273684710000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.330124450000000, 0.775033350000000, 0.765795960000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.089233310000000, 0.008151430000000, 0.412984560000000 ] mass: 18.998403 - symbol: F # 37 coordinates: [ 0.891187170000000, 0.221990210000000, 0.089816500000000 ] mass: 18.998403 - symbol: F # 38 coordinates: [ 0.910766690000000, 0.508151430000000, 0.087015440000000 ] mass: 18.998403 - symbol: F # 39 coordinates: [ 0.674367960000000, 0.970463530000000, 0.726315290000000 ] mass: 18.998403 - symbol: F # 40 coordinates: [ 0.669875550000000, 0.224966650000000, 0.234204040000000 ] mass: 18.998403 - symbol: F # 41 coordinates: [ 0.669875550000000, 0.275033350000000, 0.734204040000000 ] mass: 18.998403 - symbol: F # 42 coordinates: [ 0.891187170000000, 0.278009790000000, 0.589816500000000 ] mass: 18.998403 - symbol: F # 43 coordinates: [ 0.108812830000000, 0.721990210000000, 0.410183500000000 ] mass: 18.998403 - symbol: F # 44 coordinates: [ 0.910766690000000, 0.991848570000000, 0.587015440000000 ] mass: 18.998403 - symbol: F # 45 coordinates: [ 0.487812700000000, 0.371441490000000, 0.069230310000000 ] mass: 18.998403 - symbol: F # 46 coordinates: [ 0.089233310000000, 0.491848570000000, 0.912984560000000 ] mass: 18.998403 - symbol: F # 47 coordinates: [ 0.325632040000000, 0.470463530000000, 0.773684710000000 ] mass: 18.998403 - symbol: F # 48 coordinates: [ 0.674367960000000, 0.529536470000000, 0.226315290000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.183253890690979, 0.000000000000000, 0.050110072860368 ] # a* - [ 0.000000000000000, 0.115389023911035, 0.000000000000000 ] # b* - [ -0.000061108537054, 0.000000000000000, 0.077039312732448 ] # c*unit_cell: lattice: - [ 5.455726710000000, 0.000000000000000, 0.004327550000000 ] # a - [ 0.000000000000000, 8.666335549999999, 0.000000000000000 ] # b - [ -3.548666950000000, 0.000000000000000, 12.977570940000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.304850920000000, 0.859483540000000, 0.587991640000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.695149080000000, 0.359483540000000, 0.912008360000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.692486380000000, 0.609187920000000, 0.402077050000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.307513620000000, 0.109187920000000, 0.097922950000000 ] mass: 87.620000 reduced_to: 4 - symbol: Sr # 5 coordinates: [ 0.307513620000000, 0.390812080000000, 0.597922950000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.695149080000000, 0.140516460000000, 0.412008360000000 ] mass: 87.620000 reduced_to: 6 - symbol: Sr # 7 coordinates: [ 0.692486380000000, 0.890812080000000, 0.902077050000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.304850920000000, 0.640516460000000, 0.087991640000000 ] mass: 87.620000 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.802223100000000, 0.128026390000000, 0.668998720000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.197776900000000, 0.871973610000000, 0.331001280000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.802223100000000, 0.371973610000000, 0.168998720000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.197776900000000, 0.628026390000000, 0.831001280000000 ] mass: 26.981539 reduced_to: 12 - symbol: C # 13 coordinates: [ 0.825172940000000, 0.624766510000000, 0.638795500000000 ] mass: 12.010700 reduced_to: 13 - symbol: C # 14 coordinates: [ 0.825172940000000, 0.875233490000000, 0.138795500000000 ] mass: 12.010700 reduced_to: 14 - symbol: C # 15 coordinates: [ 0.174827060000000, 0.124766510000000, 0.861204500000000 ] mass: 12.010700 reduced_to: 15 - symbol: C # 16 coordinates: [ 0.174827060000000, 0.375233490000000, 0.361204500000000 ] mass: 12.010700 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.001405600000000, 0.124151340000000, 0.910885390000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.998594400000000, 0.875848660000000, 0.089114610000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.120091060000000, 0.128773470000000, 0.761967670000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.411758300000000, 0.121190500000000, 0.913394210000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.588241700000000, 0.621190500000000, 0.586605790000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.001405600000000, 0.375848660000000, 0.410885390000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.879908940000000, 0.871226530000000, 0.238032330000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.879908940000000, 0.628773470000000, 0.738032330000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.120091060000000, 0.371226530000000, 0.261967670000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.588241700000000, 0.878809500000000, 0.086605790000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.411758300000000, 0.378809500000000, 0.413394210000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.998594400000000, 0.624151340000000, 0.589114610000000 ] mass: 15.999400 reduced_to: 28 - symbol: F # 29 coordinates: [ 0.330124450000000, 0.724966650000000, 0.265795960000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.108812830000000, 0.778009790000000, 0.910183500000000 ] mass: 18.998403 reduced_to: 30 - symbol: F # 31 coordinates: [ 0.512187300000000, 0.871441490000000, 0.430769690000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.512187300000000, 0.628558510000000, 0.930769690000000 ] mass: 18.998403 reduced_to: 32 - symbol: F # 33 coordinates: [ 0.487812700000000, 0.128558510000000, 0.569230310000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.325632040000000, 0.029536470000000, 0.273684710000000 ] mass: 18.998403 reduced_to: 34 - symbol: F # 35 coordinates: [ 0.330124450000000, 0.775033350000000, 0.765795960000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.089233310000000, 0.008151430000000, 0.412984560000000 ] mass: 18.998403 reduced_to: 36 - symbol: F # 37 coordinates: [ 0.891187170000000, 0.221990210000000, 0.089816500000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.910766690000000, 0.508151430000000, 0.087015440000000 ] mass: 18.998403 reduced_to: 38 - symbol: F # 39 coordinates: [ 0.674367960000000, 0.970463530000000, 0.726315290000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.669875550000000, 0.224966650000000, 0.234204040000000 ] mass: 18.998403 reduced_to: 40 - symbol: F # 41 coordinates: [ 0.669875550000000, 0.275033350000000, 0.734204040000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.891187170000000, 0.278009790000000, 0.589816500000000 ] mass: 18.998403 reduced_to: 42 - symbol: F # 43 coordinates: [ 0.108812830000000, 0.721990210000000, 0.410183500000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.910766690000000, 0.991848570000000, 0.587015440000000 ] mass: 18.998403 reduced_to: 44 - symbol: F # 45 coordinates: [ 0.487812700000000, 0.371441490000000, 0.069230310000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.089233310000000, 0.491848570000000, 0.912984560000000 ] mass: 18.998403 reduced_to: 46 - symbol: F # 47 coordinates: [ 0.325632040000000, 0.470463530000000, 0.773684710000000 ] mass: 18.998403 reduced_to: 47 - symbol: F # 48 coordinates: [ 0.674367960000000, 0.529536470000000, 0.226315290000000 ] mass: 18.998403 reduced_to: 48supercell: lattice: - [ 10.911453420000001, 0.000000000000000, 0.008655100000000 ] # a - [ 0.000000000000000, 8.666335549999999, 0.000000000000000 ] # b - [ -3.548666950000000, 0.000000000000000, 12.977570940000000 ] # c points: - symbol: Sr # 1 coordinates: [ 0.152425460000000, 0.859483540000000, 0.587991640000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.652425460000000, 0.859483540000000, 0.587991640000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.347574540000000, 0.359483540000000, 0.912008360000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.847574540000000, 0.359483540000000, 0.912008360000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 5 coordinates: [ 0.346243190000000, 0.609187920000000, 0.402077050000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.846243190000000, 0.609187920000000, 0.402077050000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 7 coordinates: [ 0.153756810000000, 0.109187920000000, 0.097922950000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 8 coordinates: [ 0.653756810000000, 0.109187920000000, 0.097922950000000 ] mass: 87.620000 reduced_to: 7 - symbol: Sr # 9 coordinates: [ 0.153756810000000, 0.390812080000000, 0.597922950000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.653756810000000, 0.390812080000000, 0.597922950000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 11 coordinates: [ 0.347574540000000, 0.140516460000000, 0.412008360000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 12 coordinates: [ 0.847574540000000, 0.140516460000000, 0.412008360000000 ] mass: 87.620000 reduced_to: 11 - symbol: Sr # 13 coordinates: [ 0.346243190000000, 0.890812080000000, 0.902077050000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.846243190000000, 0.890812080000000, 0.902077050000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 15 coordinates: [ 0.152425460000000, 0.640516460000000, 0.087991640000000 ] mass: 87.620000 reduced_to: 15 - symbol: Sr # 16 coordinates: [ 0.652425460000000, 0.640516460000000, 0.087991640000000 ] mass: 87.620000 reduced_to: 15 - symbol: Al # 17 coordinates: [ 0.401111550000000, 0.128026390000000, 0.668998720000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.901111550000000, 0.128026390000000, 0.668998720000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 19 coordinates: [ 0.098888450000000, 0.871973610000000, 0.331001280000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.598888450000000, 0.871973610000000, 0.331001280000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 21 coordinates: [ 0.401111550000000, 0.371973610000000, 0.168998720000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.901111550000000, 0.371973610000000, 0.168998720000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 23 coordinates: [ 0.098888450000000, 0.628026390000000, 0.831001280000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.598888450000000, 0.628026390000000, 0.831001280000000 ] mass: 26.981539 reduced_to: 23 - symbol: C # 25 coordinates: [ 0.412586470000000, 0.624766510000000, 0.638795500000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 26 coordinates: [ 0.912586470000000, 0.624766510000000, 0.638795500000000 ] mass: 12.010700 reduced_to: 25 - symbol: C # 27 coordinates: [ 0.412586470000000, 0.875233490000000, 0.138795500000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 28 coordinates: [ 0.912586470000000, 0.875233490000000, 0.138795500000000 ] mass: 12.010700 reduced_to: 27 - symbol: C # 29 coordinates: [ 0.087413530000000, 0.124766510000000, 0.861204500000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 30 coordinates: [ 0.587413530000000, 0.124766510000000, 0.861204500000000 ] mass: 12.010700 reduced_to: 29 - symbol: C # 31 coordinates: [ 0.087413530000000, 0.375233490000000, 0.361204500000000 ] mass: 12.010700 reduced_to: 31 - symbol: C # 32 coordinates: [ 0.587413530000000, 0.375233490000000, 0.361204500000000 ] mass: 12.010700 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.000702800000000, 0.124151340000000, 0.910885390000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.500702800000000, 0.124151340000000, 0.910885390000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.499297200000000, 0.875848660000000, 0.089114610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.999297200000000, 0.875848660000000, 0.089114610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.060045530000000, 0.128773470000000, 0.761967670000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.560045530000000, 0.128773470000000, 0.761967670000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.205879150000000, 0.121190500000000, 0.913394210000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.705879150000000, 0.121190500000000, 0.913394210000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.294120850000000, 0.621190500000000, 0.586605790000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.794120850000000, 0.621190500000000, 0.586605790000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.000702800000000, 0.375848660000000, 0.410885390000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.500702800000000, 0.375848660000000, 0.410885390000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.439954470000000, 0.871226530000000, 0.238032330000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.939954470000000, 0.871226530000000, 0.238032330000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.439954470000000, 0.628773470000000, 0.738032330000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.939954470000000, 0.628773470000000, 0.738032330000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.060045530000000, 0.371226530000000, 0.261967670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.560045530000000, 0.371226530000000, 0.261967670000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.294120850000000, 0.878809500000000, 0.086605790000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.794120850000000, 0.878809500000000, 0.086605790000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.205879150000000, 0.378809500000000, 0.413394210000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.705879150000000, 0.378809500000000, 0.413394210000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.499297200000000, 0.624151340000000, 0.589114610000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.999297200000000, 0.624151340000000, 0.589114610000000 ] mass: 15.999400 reduced_to: 55 - symbol: F # 57 coordinates: [ 0.165062225000000, 0.724966650000000, 0.265795960000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.665062225000000, 0.724966650000000, 0.265795960000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.054406415000000, 0.778009790000000, 0.910183500000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 60 coordinates: [ 0.554406415000000, 0.778009790000000, 0.910183500000000 ] mass: 18.998403 reduced_to: 59 - symbol: F # 61 coordinates: [ 0.256093650000000, 0.871441490000000, 0.430769690000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.756093650000000, 0.871441490000000, 0.430769690000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.256093650000000, 0.628558510000000, 0.930769690000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 64 coordinates: [ 0.756093650000000, 0.628558510000000, 0.930769690000000 ] mass: 18.998403 reduced_to: 63 - symbol: F # 65 coordinates: [ 0.243906350000000, 0.128558510000000, 0.569230310000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.743906350000000, 0.128558510000000, 0.569230310000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.162816020000000, 0.029536470000000, 0.273684710000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.662816020000000, 0.029536470000000, 0.273684710000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 69 coordinates: [ 0.165062225000000, 0.775033350000000, 0.765795960000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.665062225000000, 0.775033350000000, 0.765795960000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 71 coordinates: [ 0.044616655000000, 0.008151430000000, 0.412984560000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 72 coordinates: [ 0.544616655000000, 0.008151430000000, 0.412984560000000 ] mass: 18.998403 reduced_to: 71 - symbol: F # 73 coordinates: [ 0.445593585000000, 0.221990210000000, 0.089816500000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.945593585000000, 0.221990210000000, 0.089816500000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.455383345000000, 0.508151430000000, 0.087015440000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 76 coordinates: [ 0.955383345000000, 0.508151430000000, 0.087015440000000 ] mass: 18.998403 reduced_to: 75 - symbol: F # 77 coordinates: [ 0.337183980000000, 0.970463530000000, 0.726315290000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.837183980000000, 0.970463530000000, 0.726315290000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 79 coordinates: [ 0.334937775000000, 0.224966650000000, 0.234204040000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.834937775000000, 0.224966650000000, 0.234204040000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.334937775000000, 0.275033350000000, 0.734204040000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.834937775000000, 0.275033350000000, 0.734204040000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.445593585000000, 0.278009790000000, 0.589816500000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 84 coordinates: [ 0.945593585000000, 0.278009790000000, 0.589816500000000 ] mass: 18.998403 reduced_to: 83 - symbol: F # 85 coordinates: [ 0.054406415000000, 0.721990210000000, 0.410183500000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.554406415000000, 0.721990210000000, 0.410183500000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.455383345000000, 0.991848570000000, 0.587015440000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 88 coordinates: [ 0.955383345000000, 0.991848570000000, 0.587015440000000 ] mass: 18.998403 reduced_to: 87 - symbol: F # 89 coordinates: [ 0.243906350000000, 0.371441490000000, 0.069230310000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.743906350000000, 0.371441490000000, 0.069230310000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.044616655000000, 0.491848570000000, 0.912984560000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 92 coordinates: [ 0.544616655000000, 0.491848570000000, 0.912984560000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 93 coordinates: [ 0.162816020000000, 0.470463530000000, 0.773684710000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 94 coordinates: [ 0.662816020000000, 0.470463530000000, 0.773684710000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 95 coordinates: [ 0.337183980000000, 0.529536470000000, 0.226315290000000 ] mass: 18.998403 reduced_to: 95 - symbol: F # 96 coordinates: [ 0.837183980000000, 0.529536470000000, 0.226315290000000 ] mass: 18.998403 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ -0.0684147600000000, 0.0036106600000000, -0.0005415700000000 ] - [ 0.0097880000000000, 0.0003570700000000, 0.0004147900000000 ] - [ -0.0021765700000000, 0.0005075500000000, 0.0008055000000000 ] - [ 0.0016346200000000, 0.0004166200000000, -0.0010353300000000 ] - [ 0.0025088200000000, -0.0038141900000000, -0.0051558800000000 ] - [ 0.0020480300000000, 0.0037070200000000, 0.0057436400000000 ] - [ -0.0002832700000000, 0.0002779400000000, -0.0016676000000000 ] - [ 0.0008125100000000, 0.0001454500000000, 0.0010983300000000 ] - [ -0.0090348300000000, 0.0007854100000000, -0.0000576500000000 ] - [ 0.0057661100000000, -0.0005059300000000, -0.0001316700000000 ] - [ 0.0024416000000000, 0.0038319100000000, -0.0049865500000000 ] - [ 0.0021349200000000, -0.0047738400000000, 0.0057391500000000 ] - [ -0.0039735200000000, -0.0009887400000000, 0.0042017800000000 ] - [ 0.0022088300000000, -0.0001549200000000, -0.0013175600000000 ] - [ -0.0003824800000000, -0.0004227600000000, -0.0011587200000000 ] - [ 0.0007878200000000, -0.0003813300000000, 0.0014677700000000 ] - [ 0.0079966200000000, 0.0127957600000000, 0.0045616300000000 ] - [ 0.0092208000000000, -0.0102461100000000, -0.0080696300000000 ] - [ -0.0117126900000000, 0.0000203400000000, -0.0031295800000000 ] - [ 0.0040848600000000, -0.0001356200000000, 0.0013287400000000 ] - [ 0.0005325700000000, -0.0001784900000000, -0.0008099000000000 ] - [ -0.0004801400000000, -0.0001557200000000, 0.0000022600000000 ] - [ -0.0027594300000000, 0.0029250400000000, -0.0053495600000000 ] - [ 0.0045097200000000, -0.0003387900000000, 0.0037662000000000 ] - [ 0.0149700800000000, -0.0038165600000000, 0.0051441000000000 ] - [ 0.0149474800000000, 0.0032569900000000, -0.0045697200000000 ] - [ -0.0001259600000000, -0.0000655700000000, -0.0002698300000000 ] - [ 0.0002407600000000, -0.0001131100000000, 0.0012367600000000 ] - [ -0.0016129200000000, 0.0004465400000000, -0.0069618600000000 ] - [ 0.0019668600000000, 0.0000223100000000, 0.0033547400000000 ] - [ -0.0054624600000000, -0.0000936200000000, -0.0008776000000000 ] - [ 0.0040403000000000, -0.0000346600000000, 0.0000852200000000 ] - [ -0.0005041000000000, -0.0001519900000000, 0.0021386300000000 ] - [ -0.0002021600000000, -0.0004215000000000, -0.0012330100000000 ] - [ -0.0003852000000000, 0.0000742600000000, -0.0003166800000000 ] - [ 0.0000259600000000, 0.0000893400000000, -0.0000925800000000 ] - [ 0.0006811200000000, 0.0021377700000000, 0.0062509700000000 ] - [ -0.0023582900000000, -0.0007061200000000, -0.0031280600000000 ] - [ 0.0029263300000000, -0.0003396300000000, 0.0012000100000000 ] - [ -0.0019708800000000, 0.0002013400000000, -0.0021721300000000 ] - [ 0.0021855800000000, -0.0022523600000000, -0.0008031200000000 ] - [ -0.0067392000000000, -0.0005270900000000, -0.0005375300000000 ] - [ 0.0034770700000000, -0.0000415400000000, -0.0009266200000000 ] - [ -0.0025976600000000, 0.0001862200000000, 0.0009648200000000 ] - [ 0.0000032400000000, -0.0001821500000000, 0.0004716200000000 ] - [ 0.0007602800000000, -0.0001862700000000, -0.0010871200000000 ] - [ -0.0029178500000000, 0.0009771000000000, -0.0045058300000000 ] - [ -0.0011299500000000, -0.0004501300000000, 0.0042510500000000 ] - [ 0.0007071700000000, -0.0001418500000000, 0.0004475500000000 ] - [ -0.0013030300000000, -0.0001741700000000, -0.0003274900000000 ] - [ 0.0003511800000000, -0.0000220400000000, 0.0009790300000000 ] - [ -0.0006548200000000, 0.0000754000000000, 0.0004512300000000 ] - [ 0.0034431800000000, 0.0001276500000000, 0.0008716800000000 ] - [ -0.0027330700000000, -0.0000253100000000, -0.0018702300000000 ] - [ -0.0065010600000000, 0.0005052300000000, 0.0011266800000000 ] - [ 0.0004014100000000, -0.0005931900000000, 0.0014045500000000 ] - [ 0.0013404000000000, 0.0003581900000000, 0.0018617900000000 ] - [ -0.0007578900000000, -0.0004454000000000, -0.0006118300000000 ] - [ -0.0004361400000000, -0.0003548000000000, 0.0018443900000000 ] - [ -0.0010577800000000, -0.0004080800000000, -0.0008107500000000 ] - [ 0.0060952500000000, -0.0001131100000000, 0.0016221700000000 ] - [ -0.0033212300000000, -0.0002422000000000, -0.0024772200000000 ] - [ 0.0009940100000000, -0.0001023500000000, 0.0004737900000000 ] - [ -0.0009385300000000, 0.0000749100000000, -0.0006758000000000 ] - [ 0.0050527600000000, 0.0001951600000000, 0.0007451700000000 ] - [ -0.0037954600000000, 0.0014749800000000, -0.0001526700000000 ] - [ 0.0013341700000000, -0.0009539300000000, 0.0012232900000000 ] - [ -0.0009000000000000, -0.0000853900000000, -0.0012260000000000 ] - [ 0.0053023700000000, 0.0018875400000000, -0.0019809400000000 ] - [ -0.0021834300000000, -0.0001726000000000, -0.0001020000000000 ] - [ 0.0058850100000000, -0.0014985600000000, -0.0008499700000000 ] - [ -0.0024515300000000, 0.0000844800000000, 0.0007696300000000 ] - [ 0.0004863700000000, 0.0003723500000000, -0.0005086400000000 ] - [ 0.0004927300000000, 0.0004241500000000, -0.0002990700000000 ] - [ 0.0001593000000000, -0.0003756900000000, -0.0003432100000000 ] - [ 0.0002474700000000, -0.0003576300000000, -0.0001426000000000 ] - [ 0.0062958800000000, 0.0014861800000000, 0.0027642500000000 ] - [ -0.0032842700000000, 0.0000235300000000, 0.0026696000000000 ] - [ -0.0002420600000000, -0.0006818400000000, 0.0005983700000000 ] - [ 0.0001735300000000, -0.0000671100000000, -0.0011416800000000 ] - [ 0.0009354700000000, -0.0017041700000000, -0.0017325200000000 ] - [ -0.0013619500000000, 0.0011345900000000, 0.0004626100000000 ] - [ -0.0012889300000000, -0.0017790000000000, -0.0003364000000000 ] - [ 0.0010506700000000, 0.0028098700000000, -0.0005670600000000 ] - [ 0.0052453500000000, 0.0013057600000000, -0.0004420700000000 ] - [ -0.0026515100000000, -0.0000864500000000, 0.0007481400000000 ] - [ -0.0057754900000000, -0.0017944200000000, -0.0001343200000000 ] - [ 0.0183340900000000, -0.0055168400000000, 0.0009214200000000 ] - [ 0.0003854900000000, -0.0000486200000000, 0.0007762000000000 ] - [ -0.0002527200000000, -0.0001190700000000, 0.0000261600000000 ] - [ -0.0000494600000000, -0.0000092000000000, 0.0012893900000000 ] - [ -0.0004318500000000, 0.0007204700000000, -0.0008072500000000 ] - [ 0.0019295300000000, -0.0010250700000000, -0.0000504600000000 ] - [ -0.0018359700000000, 0.0007595000000000, -0.0006640600000000 ] - [ -0.0001665500000000, 0.0002083600000000, 0.0012765900000000 ] - [ 0.0002553900000000, -0.0004240900000000, -0.0004341900000000 ]- atom: 1 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ 0.0695048000000000, -0.0032587100000000, 0.0010933300000000 ] - [ -0.0094524800000000, 0.0003907900000000, 0.0002081900000000 ] - [ 0.0018327500000000, 0.0002577400000000, -0.0014330100000000 ] - [ -0.0019714900000000, 0.0003463400000000, 0.0004209500000000 ] - [ -0.0029930200000000, 0.0041549100000000, 0.0054058700000000 ] - [ -0.0024961200000000, -0.0033717400000000, -0.0055057500000000 ] - [ 0.0007527900000000, 0.0000765500000000, 0.0014009900000000 ] - [ -0.0003401800000000, 0.0002101300000000, -0.0013695700000000 ] - [ 0.0095220500000000, -0.0011291800000000, -0.0002143200000000 ] - [ -0.0053018500000000, 0.0001525700000000, -0.0001387600000000 ] - [ -0.0028009000000000, -0.0045742200000000, 0.0043446200000000 ] - [ -0.0024538600000000, 0.0040369700000000, -0.0064018000000000 ] - [ 0.0034786900000000, 0.0006239500000000, -0.0039592800000000 ] - [ -0.0026775800000000, -0.0002042900000000, 0.0016060300000000 ] - [ 0.0007213500000000, -0.0003369900000000, 0.0017814200000000 ] - [ -0.0004483500000000, -0.0003798600000000, -0.0008455100000000 ] - [ -0.0079450700000000, -0.0124411600000000, -0.0052576900000000 ] - [ -0.0091780300000000, 0.0106008600000000, 0.0073815400000000 ] - [ 0.0115698000000000, -0.0002928300000000, 0.0039563500000000 ] - [ -0.0041841500000000, -0.0001275500000000, -0.0006117100000000 ] - [ -0.0004475500000000, -0.0000812200000000, 0.0000632200000000 ] - [ 0.0005749600000000, -0.0001036800000000, -0.0007395200000000 ] - [ 0.0027300800000000, -0.0026284000000000, 0.0060801400000000 ] - [ -0.0046019500000000, 0.0005962500000000, -0.0030102100000000 ] - [ -0.0147991000000000, 0.0038809500000000, -0.0046516700000000 ] - [ -0.0147668800000000, -0.0031744400000000, 0.0050942400000000 ] - [ 0.0003174200000000, -0.0000918800000000, 0.0007767100000000 ] - [ -0.0000420600000000, -0.0000448600000000, -0.0007022600000000 ] - [ 0.0014281200000000, -0.0002936900000000, 0.0064608200000000 ] - [ -0.0021718000000000, 0.0001346600000000, -0.0038561200000000 ] - [ 0.0052677000000000, -0.0000624600000000, 0.0003651100000000 ] - [ -0.0042381500000000, -0.0001231600000000, -0.0006087900000000 ] - [ 0.0009531100000000, -0.0000249300000000, -0.0018833000000000 ] - [ 0.0006668900000000, 0.0002475900000000, 0.0014864300000000 ] - [ -0.0000673600000000, 0.0001020300000000, 0.0000628400000000 ] - [ -0.0004780600000000, 0.0000877100000000, -0.0001719000000000 ] - [ -0.0015212300000000, -0.0018082500000000, -0.0063508800000000 ] - [ 0.0015396000000000, 0.0010403800000000, 0.0030431900000000 ] - [ -0.0026768100000000, 0.0002893300000000, -0.0028498700000000 ] - [ 0.0022301300000000, -0.0002566000000000, 0.0005223000000000 ] - [ -0.0021919700000000, 0.0018794300000000, 0.0024697200000000 ] - [ 0.0064551200000000, 0.0004923000000000, 0.0021719800000000 ] - [ -0.0030307500000000, 0.0002164300000000, 0.0011855400000000 ] - [ 0.0030511400000000, -0.0000100400000000, -0.0007033700000000 ] - [ 0.0008229000000000, -0.0001554200000000, -0.0003934000000000 ] - [ 0.0000580500000000, -0.0001502700000000, 0.0011365400000000 ] - [ 0.0037420000000000, -0.0006268800000000, 0.0045859000000000 ] - [ 0.0019409100000000, 0.0007961100000000, -0.0041872700000000 ] - [ -0.0015312700000000, -0.0001965600000000, -0.0005194500000000 ] - [ 0.0004808000000000, -0.0001637200000000, 0.0002634900000000 ] - [ -0.0006053500000000, 0.0000779300000000, 0.0006709800000000 ] - [ 0.0003884200000000, -0.0000199100000000, 0.0011852800000000 ] - [ -0.0031811800000000, -0.0000721800000000, -0.0025190100000000 ] - [ 0.0029935200000000, 0.0000789800000000, 0.0002298400000000 ] - [ 0.0060888600000000, -0.0006549300000000, -0.0013946900000000 ] - [ -0.0010678000000000, 0.0001763700000000, -0.0016462300000000 ] - [ -0.0012811600000000, -0.0011570600000000, -0.0013890800000000 ] - [ 0.0008085600000000, -0.0003490900000000, 0.0010972400000000 ] - [ -0.0005484100000000, -0.0004201500000000, -0.0009921700000000 ] - [ 0.0000934600000000, -0.0003710800000000, 0.0016551200000000 ] - [ -0.0060303900000000, -0.0000683500000000, -0.0025944500000000 ] - [ 0.0032099500000000, 0.0000546600000000, 0.0017362800000000 ] - [ -0.0011211600000000, 0.0002822200000000, -0.0012231900000000 ] - [ 0.0008114300000000, 0.0001139200000000, -0.0000912200000000 ] - [ -0.0048475400000000, 0.0001265900000000, 0.0000155300000000 ] - [ 0.0039258000000000, -0.0012942800000000, 0.0009175200000000 ] - [ -0.0014770400000000, 0.0006981100000000, -0.0019627500000000 ] - [ 0.0007501900000000, -0.0001751800000000, 0.0004986000000000 ] - [ -0.0052415800000000, -0.0011162900000000, 0.0024902300000000 ] - [ 0.0022370300000000, 0.0009719600000000, 0.0005723500000000 ] - [ -0.0063017500000000, 0.0007977700000000, 0.0013499500000000 ] - [ 0.0020616800000000, -0.0008109500000000, -0.0002320600000000 ] - [ 0.0004837500000000, 0.0004048400000000, -0.0003374600000000 ] - [ 0.0004756400000000, 0.0003530100000000, -0.0005508200000000 ] - [ 0.0002370100000000, -0.0003498300000000, -0.0001821600000000 ] - [ 0.0001461200000000, -0.0003677600000000, -0.0003869700000000 ] - [ -0.0059424500000000, -0.0010564900000000, -0.0017524100000000 ] - [ 0.0034492200000000, 0.0002279100000000, -0.0019533500000000 ] - [ 0.0001929600000000, -0.0001122900000000, -0.0010747000000000 ] - [ -0.0002284200000000, -0.0007287800000000, 0.0006656600000000 ] - [ -0.0009806500000000, 0.0025033700000000, 0.0012590100000000 ] - [ 0.0013115800000000, -0.0003410300000000, -0.0009464200000000 ] - [ 0.0022750800000000, 0.0009944600000000, -0.0005098000000000 ] - [ -0.0000877500000000, -0.0036080800000000, -0.0002779800000000 ] - [ -0.0062311900000000, -0.0005387000000000, 0.0012607900000000 ] - [ 0.0016863500000000, 0.0008672200000000, 0.0001039900000000 ] - [ 0.0061358900000000, 0.0024754200000000, -0.0004016700000000 ] - [ -0.0190442600000000, 0.0069101100000000, -0.0014565900000000 ] - [ -0.0002573300000000, -0.0001407700000000, -0.0000119800000000 ] - [ 0.0003806000000000, -0.0000695600000000, 0.0007363900000000 ] - [ -0.0003516300000000, 0.0007312800000000, -0.0007641200000000 ] - [ 0.0000399100000000, 0.0000058400000000, 0.0013325600000000 ] - [ -0.0020864700000000, 0.0012725800000000, -0.0006844700000000 ] - [ 0.0016879700000000, -0.0004988800000000, -0.0000747200000000 ] - [ 0.0003185600000000, -0.0004688000000000, -0.0005392100000000 ] - [ -0.0001091900000000, 0.0001649000000000, 0.0011703100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035023000000000, -0.0634661600000000, 0.0036455400000000 ] - [ 0.0001544800000000, -0.0038489500000000, 0.0005911800000000 ] - [ -0.0002936700000000, 0.0028669300000000, -0.0002000300000000 ] - [ -0.0002049700000000, 0.0019398500000000, -0.0006607600000000 ] - [ -0.0027310200000000, 0.0009301700000000, 0.0044419600000000 ] - [ 0.0032665400000000, 0.0015510700000000, 0.0045326400000000 ] - [ 0.0003095000000000, 0.0001715000000000, -0.0000634500000000 ] - [ 0.0001691100000000, 0.0001584800000000, -0.0001222500000000 ] - [ -0.0007246900000000, 0.0196339200000000, 0.0005205400000000 ] - [ 0.0005098600000000, 0.0035146300000000, 0.0001340900000000 ] - [ 0.0040476000000000, 0.0014290100000000, -0.0046568700000000 ] - [ -0.0045781000000000, 0.0028241100000000, -0.0040907500000000 ] - [ -0.0011096800000000, -0.0038826900000000, 0.0012904000000000 ] - [ -0.0001970300000000, -0.0018329000000000, -0.0000061400000000 ] - [ 0.0002129400000000, -0.0004718500000000, -0.0000791000000000 ] - [ 0.0001701200000000, -0.0005485500000000, 0.0001652000000000 ] - [ 0.0145759800000000, 0.0070961000000000, 0.0074522900000000 ] - [ -0.0077845100000000, 0.0056847100000000, 0.0038381400000000 ] - [ 0.0001644300000000, -0.0115378300000000, -0.0013741800000000 ] - [ -0.0001809200000000, -0.0017485000000000, 0.0003104700000000 ] - [ 0.0001962500000000, 0.0008129700000000, -0.0003528000000000 ] - [ 0.0000171600000000, 0.0011175600000000, -0.0004184200000000 ] - [ 0.0013467200000000, 0.0024302800000000, -0.0066602300000000 ] - [ -0.0022708800000000, -0.0001759200000000, -0.0027084400000000 ] - [ -0.0163163000000000, 0.0011403600000000, -0.0071889700000000 ] - [ 0.0153183700000000, 0.0004029800000000, -0.0064344000000000 ] - [ 0.0001852600000000, -0.0000798500000000, 0.0002707300000000 ] - [ 0.0000674400000000, 0.0001858300000000, -0.0001028600000000 ] - [ -0.0003317600000000, -0.0004387000000000, 0.0061921400000000 ] - [ 0.0006340300000000, 0.0000670800000000, 0.0015353400000000 ] - [ -0.0003980200000000, 0.0007238300000000, -0.0001307200000000 ] - [ 0.0000782200000000, -0.0001723900000000, 0.0000450100000000 ] - [ 0.0021416900000000, 0.0001721500000000, -0.0021749800000000 ] - [ 0.0001472100000000, -0.0002271200000000, -0.0006817800000000 ] - [ -0.0003089700000000, 0.0002496100000000, -0.0001167800000000 ] - [ -0.0003185200000000, 0.0003465400000000, 0.0000437800000000 ] - [ 0.0007901800000000, -0.0013803500000000, -0.0055828100000000 ] - [ -0.0015053900000000, -0.0003084400000000, -0.0015729500000000 ] - [ -0.0009955600000000, 0.0000229800000000, -0.0028397500000000 ] - [ -0.0006293800000000, 0.0000371900000000, -0.0015069500000000 ] - [ 0.0001829400000000, 0.0077416400000000, 0.0026630300000000 ] - [ -0.0078274900000000, 0.0002551100000000, -0.0006207000000000 ] - [ 0.0004276100000000, -0.0024193600000000, -0.0001085000000000 ] - [ 0.0000809500000000, -0.0007763500000000, -0.0000127700000000 ] - [ 0.0003644000000000, 0.0001057200000000, 0.0000261500000000 ] - [ 0.0004844700000000, 0.0011383000000000, 0.0004760600000000 ] - [ 0.0042141100000000, 0.0003278200000000, 0.0063159200000000 ] - [ -0.0021005300000000, 0.0001944600000000, 0.0053836300000000 ] - [ -0.0003597800000000, -0.0002954200000000, -0.0002020700000000 ] - [ -0.0004765100000000, -0.0002819100000000, -0.0002694800000000 ] - [ -0.0001241600000000, 0.0003903300000000, 0.0007627200000000 ] - [ -0.0000069900000000, 0.0001142100000000, 0.0009575800000000 ] - [ 0.0002684400000000, -0.0027986300000000, -0.0008033200000000 ] - [ 0.0000419900000000, -0.0012510000000000, -0.0010613000000000 ] - [ 0.0074435800000000, 0.0001044300000000, -0.0014485800000000 ] - [ -0.0034921800000000, 0.0034913100000000, 0.0020413500000000 ] - [ 0.0005448000000000, 0.0003641700000000, -0.0005099700000000 ] - [ -0.0002615800000000, 0.0001149900000000, -0.0000368300000000 ] - [ -0.0012233600000000, 0.0003984600000000, 0.0017996700000000 ] - [ -0.0005605800000000, 0.0003578600000000, 0.0011164000000000 ] - [ -0.0005269400000000, 0.0051612700000000, 0.0000355600000000 ] - [ 0.0003679900000000, 0.0014338500000000, -0.0001242000000000 ] - [ 0.0002510200000000, -0.0001213300000000, 0.0008562900000000 ] - [ -0.0000001900000000, 0.0001659200000000, -0.0000367300000000 ] - [ -0.0003864400000000, 0.0057763900000000, -0.0013078000000000 ] - [ 0.0018670700000000, -0.0007647000000000, 0.0004215500000000 ] - [ -0.0007894700000000, 0.0002819600000000, 0.0008909700000000 ] - [ 0.0002095700000000, 0.0002267100000000, -0.0000631500000000 ] - [ 0.0016198800000000, 0.0053278300000000, -0.0029733100000000 ] - [ 0.0006118000000000, 0.0014590200000000, 0.0005987100000000 ] - [ -0.0006356300000000, 0.0049826600000000, 0.0029194900000000 ] - [ -0.0007327400000000, 0.0003038100000000, 0.0005138200000000 ] - [ 0.0004576100000000, 0.0001768100000000, -0.0004739600000000 ] - [ 0.0006010600000000, 0.0001039200000000, -0.0004223900000000 ] - [ 0.0001814000000000, -0.0005505300000000, -0.0002062000000000 ] - [ 0.0001365900000000, -0.0005745100000000, -0.0002177100000000 ] - [ 0.0013411100000000, 0.0053580200000000, 0.0000860100000000 ] - [ 0.0017649100000000, 0.0013260900000000, -0.0009482200000000 ] - [ -0.0003111400000000, -0.0009208400000000, 0.0002681400000000 ] - [ -0.0000793500000000, -0.0009638500000000, 0.0003614700000000 ] - [ -0.0002350700000000, -0.0032558700000000, -0.0026339000000000 ] - [ 0.0008063200000000, -0.0008596700000000, -0.0005434900000000 ] - [ -0.0024226400000000, -0.0033247600000000, -0.0004451100000000 ] - [ 0.0011044500000000, -0.0041314900000000, -0.0003912900000000 ] - [ 0.0002406400000000, 0.0068068800000000, -0.0004358200000000 ] - [ -0.0000881300000000, 0.0011828100000000, -0.0000830200000000 ] - [ -0.0039122700000000, 0.0022341800000000, 0.0001077200000000 ] - [ -0.0068103100000000, 0.0062884600000000, -0.0013584600000000 ] - [ 0.0000688000000000, -0.0005548400000000, 0.0004014200000000 ] - [ 0.0000969500000000, -0.0004313400000000, 0.0004376900000000 ] - [ -0.0005262300000000, -0.0003556800000000, 0.0012485400000000 ] - [ -0.0002476700000000, -0.0002013700000000, 0.0010939600000000 ] - [ 0.0002997700000000, -0.0023326200000000, 0.0009546700000000 ] - [ 0.0005011400000000, -0.0007512600000000, 0.0000987900000000 ] - [ 0.0002411500000000, -0.0005454400000000, -0.0001230100000000 ] - [ 0.0001888400000000, -0.0006222700000000, -0.0002591200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0033510100000000, 0.0643400100000000, -0.0029323600000000 ] - [ 0.0001883900000000, 0.0046195000000000, 0.0000302200000000 ] - [ -0.0000434900000000, -0.0021045200000000, -0.0004059300000000 ] - [ -0.0001350900000000, -0.0011784500000000, 0.0000415200000000 ] - [ 0.0022686100000000, -0.0005469300000000, -0.0041920200000000 ] - [ -0.0037412100000000, -0.0011723900000000, -0.0042778000000000 ] - [ 0.0001615100000000, 0.0001791800000000, -0.0002043500000000 ] - [ 0.0003016100000000, 0.0001946600000000, -0.0001483100000000 ] - [ 0.0011894200000000, -0.0200478700000000, -0.0007840400000000 ] - [ -0.0000351400000000, -0.0038746200000000, -0.0004052200000000 ] - [ -0.0043652500000000, -0.0022156300000000, 0.0040092800000000 ] - [ 0.0042267500000000, -0.0036098200000000, 0.0034603400000000 ] - [ 0.0006263700000000, 0.0035192100000000, -0.0010571500000000 ] - [ -0.0002705600000000, 0.0014750200000000, 0.0002759100000000 ] - [ 0.0001264800000000, -0.0002834300000000, 0.0007010600000000 ] - [ 0.0001683600000000, -0.0002095100000000, 0.0004577600000000 ] - [ -0.0143812000000000, -0.0068770000000000, -0.0081098700000000 ] - [ 0.0078492700000000, -0.0054726600000000, -0.0045888400000000 ] - [ -0.0002439500000000, 0.0112631900000000, 0.0022069800000000 ] - [ 0.0000930000000000, 0.0014890600000000, 0.0004325900000000 ] - [ -0.0001061600000000, -0.0010730900000000, -0.0003901100000000 ] - [ 0.0000666800000000, -0.0013781700000000, -0.0003297600000000 ] - [ -0.0014205600000000, -0.0021040800000000, 0.0074114500000000 ] - [ 0.0021883000000000, 0.0004458000000000, 0.0034607400000000 ] - [ 0.0165969800000000, -0.0010259200000000, 0.0077228300000000 ] - [ -0.0151756700000000, -0.0002804900000000, 0.0069712600000000 ] - [ 0.0000098200000000, -0.0000779200000000, 0.0002460900000000 ] - [ 0.0001299800000000, -0.0003435300000000, 0.0006301500000000 ] - [ 0.0001443500000000, 0.0005915200000000, -0.0066831300000000 ] - [ -0.0008332000000000, 0.0000902500000000, -0.0020524200000000 ] - [ 0.0001980600000000, -0.0008811900000000, -0.0004203600000000 ] - [ -0.0002721700000000, 0.0000143000000000, -0.0005671800000000 ] - [ -0.0016804600000000, -0.0003467500000000, 0.0024214900000000 ] - [ 0.0003110800000000, 0.0000565200000000, 0.0009393200000000 ] - [ -0.0001450500000000, -0.0000733900000000, -0.0001385100000000 ] - [ -0.0001361100000000, -0.0001692500000000, -0.0003040600000000 ] - [ -0.0016027000000000, 0.0017283800000000, 0.0054841600000000 ] - [ 0.0006857100000000, 0.0006548700000000, 0.0015009400000000 ] - [ 0.0012449100000000, -0.0000714500000000, 0.0011867400000000 ] - [ 0.0008863300000000, -0.0000915900000000, -0.0001391900000000 ] - [ -0.0000318500000000, -0.0083118400000000, -0.0009883700000000 ] - [ 0.0075867800000000, -0.0002969100000000, 0.0022634500000000 ] - [ 0.0000300800000000, 0.0025954700000000, 0.0003842600000000 ] - [ 0.0003714900000000, 0.0009525500000000, 0.0002732700000000 ] - [ 0.0004587900000000, -0.0004437000000000, 0.0000446800000000 ] - [ 0.0003351900000000, -0.0014751000000000, -0.0004148600000000 ] - [ -0.0034165800000000, 0.0000049300000000, -0.0062760600000000 ] - [ 0.0029296200000000, 0.0001360900000000, -0.0053394400000000 ] - [ -0.0004597400000000, -0.0000421900000000, 0.0001542600000000 ] - [ -0.0003455400000000, -0.0000559200000000, 0.0002036000000000 ] - [ -0.0001319400000000, -0.0003346900000000, 0.0008851000000000 ] - [ -0.0002523100000000, -0.0000594600000000, 0.0006850300000000 ] - [ -0.0000124100000000, 0.0028524700000000, -0.0008233200000000 ] - [ 0.0002138200000000, 0.0013065000000000, -0.0005826700000000 ] - [ -0.0079225900000000, -0.0002649500000000, 0.0011917500000000 ] - [ 0.0027446400000000, -0.0040415100000000, -0.0022692300000000 ] - [ -0.0004904800000000, -0.0011725500000000, 0.0009775500000000 ] - [ 0.0003132100000000, -0.0009169900000000, 0.0005148400000000 ] - [ 0.0002429400000000, -0.0011775000000000, -0.0009443400000000 ] - [ -0.0004060500000000, -0.0011398600000000, -0.0002713300000000 ] - [ 0.0003952100000000, -0.0053460000000000, -0.0008136100000000 ] - [ -0.0005057200000000, -0.0016255700000000, -0.0006480700000000 ] - [ -0.0003798100000000, 0.0002965900000000, -0.0016166900000000 ] - [ -0.0001311200000000, 0.0000208800000000, -0.0007325000000000 ] - [ 0.0008182600000000, -0.0049030800000000, 0.0019948600000000 ] - [ -0.0017439900000000, 0.0009667700000000, 0.0003456800000000 ] - [ 0.0006420200000000, -0.0005271700000000, -0.0016355200000000 ] - [ -0.0003588000000000, -0.0004812200000000, -0.0006732900000000 ] - [ -0.0016022700000000, -0.0045527200000000, 0.0035469700000000 ] - [ -0.0005635200000000, -0.0006658800000000, -0.0001213800000000 ] - [ 0.0002079000000000, -0.0056111100000000, -0.0025054000000000 ] - [ 0.0003372900000000, -0.0010234100000000, 0.0000137700000000 ] - [ 0.0005116200000000, 0.0006016400000000, -0.0003730200000000 ] - [ 0.0003690800000000, 0.0006748100000000, -0.0004234600000000 ] - [ 0.0002143100000000, -0.0001741000000000, -0.0003206200000000 ] - [ 0.0002584200000000, -0.0001500400000000, -0.0003074700000000 ] - [ -0.0011004400000000, -0.0050241900000000, 0.0007218900000000 ] - [ -0.0016206900000000, -0.0010665700000000, 0.0016906900000000 ] - [ 0.0002599500000000, 0.0001251700000000, -0.0007436000000000 ] - [ 0.0000304000000000, 0.0001700800000000, -0.0008385600000000 ] - [ 0.0001690300000000, 0.0040576400000000, 0.0021326400000000 ] - [ -0.0008537800000000, 0.0016621600000000, 0.0000633000000000 ] - [ 0.0033794600000000, 0.0025473400000000, -0.0004003600000000 ] - [ -0.0001052600000000, 0.0033671700000000, -0.0004561400000000 ] - [ -0.0012528600000000, -0.0061091600000000, 0.0011443700000000 ] - [ -0.0008840900000000, -0.0004101000000000, 0.0009297000000000 ] - [ 0.0043004000000000, -0.0014856600000000, -0.0006376400000000 ] - [ 0.0068735100000000, -0.0054438500000000, 0.0008307800000000 ] - [ 0.0000624100000000, 0.0003651300000000, 0.0003661700000000 ] - [ 0.0000343900000000, 0.0002426500000000, 0.0003301900000000 ] - [ 0.0001311000000000, 0.0010751100000000, -0.0007257100000000 ] - [ -0.0001491500000000, 0.0009236400000000, -0.0005710500000000 ] - [ -0.0004407300000000, 0.0025789200000000, -0.0017168000000000 ] - [ -0.0006529800000000, 0.0010090700000000, -0.0008366300000000 ] - [ -0.0000913000000000, 0.0002862500000000, 0.0008612400000000 ] - [ -0.0000383100000000, 0.0003621500000000, 0.0009968700000000 ]- atom: 1 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0175539900000000, 0.0028351900000000, -0.0677447200000000 ] - [ -0.0022640500000000, 0.0006556700000000, -0.0027665500000000 ] - [ 0.0014440700000000, 0.0002466800000000, 0.0017310500000000 ] - [ -0.0013522300000000, 0.0007107900000000, 0.0013566500000000 ] - [ -0.0060968100000000, 0.0055537800000000, 0.0011512300000000 ] - [ 0.0055553600000000, 0.0031286000000000, -0.0016623400000000 ] - [ -0.0008284700000000, -0.0003943800000000, 0.0047815500000000 ] - [ 0.0011941800000000, -0.0000251200000000, 0.0022552500000000 ] - [ 0.0026943300000000, -0.0013830000000000, -0.0069267200000000 ] - [ -0.0012681800000000, -0.0004200600000000, -0.0023915000000000 ] - [ -0.0053511700000000, -0.0056523300000000, 0.0002092700000000 ] - [ 0.0050797600000000, -0.0028638000000000, -0.0026636300000000 ] - [ 0.0047530300000000, 0.0011438900000000, 0.0107869800000000 ] - [ -0.0022145500000000, -0.0003516800000000, 0.0026070800000000 ] - [ -0.0011074800000000, 0.0000036600000000, 0.0054658100000000 ] - [ 0.0011198500000000, -0.0002411900000000, 0.0026036700000000 ] - [ 0.0040449900000000, 0.0050867200000000, -0.0108527100000000 ] - [ -0.0052015600000000, 0.0041941100000000, -0.0034663600000000 ] - [ -0.0006895100000000, -0.0012491000000000, 0.0277147100000000 ] - [ -0.0000019100000000, -0.0000500000000000, 0.0015789400000000 ] - [ -0.0004915300000000, -0.0001123500000000, 0.0026738300000000 ] - [ 0.0006433100000000, -0.0000338700000000, 0.0029438200000000 ] - [ -0.0084565600000000, -0.0110232900000000, 0.0098797400000000 ] - [ 0.0004073000000000, -0.0004886300000000, 0.0000300600000000 ] - [ -0.0019757000000000, -0.0007915900000000, -0.0085345800000000 ] - [ -0.0054393000000000, -0.0023225600000000, -0.0056143500000000 ] - [ 0.0000732700000000, -0.0001691100000000, 0.0043520200000000 ] - [ 0.0000711200000000, -0.0002758800000000, 0.0076534800000000 ] - [ -0.0023944600000000, 0.0004013700000000, 0.0070687200000000 ] - [ 0.0016497900000000, 0.0001505100000000, 0.0001272600000000 ] - [ 0.0005278200000000, 0.0001672200000000, 0.0012299400000000 ] - [ -0.0008876900000000, -0.0000609600000000, 0.0008321300000000 ] - [ 0.0029060000000000, 0.0001361700000000, -0.0029239900000000 ] - [ -0.0012392700000000, -0.0007769700000000, -0.0003957100000000 ] - [ 0.0000145900000000, 0.0001526600000000, -0.0024074400000000 ] - [ 0.0013340600000000, 0.0001193900000000, -0.0033396100000000 ] - [ 0.0016396700000000, -0.0026434000000000, -0.0041901100000000 ] - [ -0.0015332400000000, -0.0004853500000000, 0.0002624700000000 ] - [ 0.0001168000000000, -0.0010008200000000, -0.0033551100000000 ] - [ -0.0005824700000000, 0.0000637600000000, -0.0016254100000000 ] - [ 0.0000804200000000, 0.0008000400000000, 0.0065463700000000 ] - [ 0.0030838300000000, -0.0001348800000000, 0.0038230700000000 ] - [ -0.0002909300000000, -0.0000031800000000, 0.0005996000000000 ] - [ 0.0014924400000000, 0.0000655700000000, 0.0000365300000000 ] - [ 0.0005671700000000, -0.0000981000000000, -0.0029934500000000 ] - [ -0.0008692200000000, -0.0000103700000000, -0.0072025800000000 ] - [ -0.0000718100000000, 0.0017451400000000, 0.0055272600000000 ] - [ 0.0031585800000000, 0.0023392000000000, 0.0039864700000000 ] - [ -0.0008564000000000, -0.0001946400000000, -0.0012053500000000 ] - [ -0.0003323800000000, -0.0001807400000000, -0.0009286500000000 ] - [ -0.0003965300000000, 0.0000347600000000, -0.0015678700000000 ] - [ -0.0018488700000000, 0.0001537300000000, -0.0019784800000000 ] - [ -0.0005984600000000, -0.0002102700000000, -0.0008664700000000 ] - [ -0.0000514400000000, 0.0000582000000000, -0.0004555800000000 ] - [ 0.0001739500000000, -0.0005822700000000, 0.0022006500000000 ] - [ -0.0011646200000000, 0.0003195400000000, 0.0054068400000000 ] - [ 0.0014517300000000, -0.0022336100000000, -0.0043927400000000 ] - [ -0.0003051100000000, -0.0003810200000000, -0.0004254600000000 ] - [ 0.0022220300000000, -0.0003466300000000, -0.0030354400000000 ] - [ -0.0016345500000000, 0.0002755000000000, -0.0001163900000000 ] - [ 0.0006223900000000, -0.0002206600000000, 0.0012941100000000 ] - [ -0.0008899000000000, -0.0000734000000000, 0.0004931400000000 ] - [ -0.0004527900000000, 0.0019753900000000, -0.0041133100000000 ] - [ -0.0000222300000000, 0.0001640000000000, -0.0010005500000000 ] - [ -0.0004043200000000, -0.0007281900000000, 0.0069723300000000 ] - [ 0.0009855400000000, -0.0002592500000000, 0.0018834600000000 ] - [ 0.0012396100000000, 0.0019366700000000, -0.0048336200000000 ] - [ -0.0003747500000000, -0.0001512400000000, -0.0010724900000000 ] - [ -0.0026483300000000, -0.0018193200000000, 0.0154484600000000 ] - [ 0.0002197800000000, 0.0005598800000000, 0.0006582800000000 ] - [ -0.0037064700000000, 0.0018924900000000, 0.0011445200000000 ] - [ 0.0008087300000000, -0.0005380600000000, 0.0003710300000000 ] - [ 0.0004349300000000, 0.0003055300000000, -0.0015860200000000 ] - [ 0.0006524100000000, 0.0003350300000000, -0.0018153400000000 ] - [ 0.0000746800000000, -0.0002764200000000, -0.0014135400000000 ] - [ 0.0004147400000000, -0.0003451900000000, -0.0015814400000000 ] - [ -0.0002143800000000, -0.0010372400000000, 0.0088732500000000 ] - [ 0.0017499200000000, -0.0000058600000000, 0.0007853700000000 ] - [ 0.0005121600000000, 0.0000587900000000, -0.0016854100000000 ] - [ -0.0005364300000000, -0.0001768100000000, -0.0013140800000000 ] - [ -0.0006104600000000, -0.0005507200000000, 0.0015297300000000 ] - [ 0.0009032400000000, -0.0000733800000000, 0.0003688100000000 ] - [ 0.0010624700000000, 0.0000148300000000, 0.0011389800000000 ] - [ 0.0003121000000000, -0.0011976300000000, 0.0015676800000000 ] - [ -0.0033738500000000, -0.0004412700000000, 0.0030225300000000 ] - [ 0.0004067500000000, 0.0004705100000000, 0.0006647300000000 ] - [ 0.0010358900000000, 0.0011003100000000, 0.0034146400000000 ] - [ -0.0052583300000000, 0.0020487800000000, 0.0041511400000000 ] - [ 0.0001050900000000, -0.0000704200000000, -0.0011133000000000 ] - [ -0.0001485700000000, -0.0001387900000000, -0.0006760500000000 ] - [ 0.0007310400000000, 0.0010712500000000, -0.0010648800000000 ] - [ -0.0006559400000000, 0.0002944000000000, -0.0000126000000000 ] - [ -0.0004628100000000, 0.0033400500000000, -0.0000417300000000 ] - [ 0.0000829800000000, 0.0001403500000000, -0.0000228500000000 ] - [ 0.0005936900000000, -0.0005766200000000, -0.0011046100000000 ] - [ -0.0004455800000000, -0.0003784600000000, -0.0007235000000000 ]- atom: 1 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0173548900000000, -0.0017074500000000, 0.0683188900000000 ] - [ 0.0026072500000000, 0.0001053500000000, 0.0033916200000000 ] - [ -0.0017702600000000, 0.0005114200000000, -0.0023627100000000 ] - [ 0.0010057000000000, 0.0000518800000000, -0.0019879400000000 ] - [ 0.0056614800000000, -0.0052367300000000, -0.0008647000000000 ] - [ -0.0060425700000000, -0.0027763100000000, 0.0019637400000000 ] - [ 0.0013000300000000, 0.0007564500000000, -0.0050533700000000 ] - [ -0.0007236700000000, 0.0003852200000000, -0.0025265200000000 ] - [ -0.0022164200000000, 0.0010323500000000, 0.0066490900000000 ] - [ 0.0017379700000000, 0.0000662100000000, 0.0021219900000000 ] - [ 0.0050330600000000, 0.0049261000000000, -0.0008072400000000 ] - [ -0.0054252500000000, 0.0020976500000000, 0.0020809900000000 ] - [ -0.0051707800000000, -0.0014825700000000, -0.0104691600000000 ] - [ 0.0017292900000000, -0.0000040300000000, -0.0023473800000000 ] - [ 0.0014462700000000, -0.0007719200000000, -0.0048439900000000 ] - [ -0.0007813500000000, -0.0005241300000000, -0.0019826300000000 ] - [ -0.0040149600000000, -0.0048626100000000, 0.0100653600000000 ] - [ 0.0053075400000000, -0.0039569800000000, 0.0026470200000000 ] - [ 0.0005860600000000, 0.0010113900000000, -0.0272851300000000 ] - [ -0.0000776400000000, -0.0002100300000000, -0.0008215100000000 ] - [ 0.0005889500000000, -0.0001494400000000, -0.0034101100000000 ] - [ -0.0005571900000000, -0.0002279400000000, -0.0036808900000000 ] - [ 0.0083008800000000, 0.0111880900000000, -0.0090799100000000 ] - [ -0.0005036700000000, 0.0007475800000000, 0.0006885700000000 ] - [ 0.0020900800000000, 0.0009605900000000, 0.0089936600000000 ] - [ 0.0057007700000000, 0.0024672600000000, 0.0060165100000000 ] - [ 0.0001299300000000, 0.0000112700000000, -0.0038290700000000 ] - [ 0.0001164400000000, 0.0001182800000000, -0.0071537400000000 ] - [ 0.0021846200000000, -0.0002370600000000, -0.0075657700000000 ] - [ -0.0018464900000000, 0.0000072500000000, -0.0006690500000000 ] - [ -0.0007274400000000, -0.0003262100000000, -0.0017287400000000 ] - [ 0.0006973900000000, -0.0000963800000000, -0.0013381000000000 ] - [ -0.0024406500000000, -0.0003118800000000, 0.0031787100000000 ] - [ 0.0016885200000000, 0.0005986100000000, 0.0006633800000000 ] - [ -0.0004760000000000, 0.0000238000000000, 0.0021469500000000 ] - [ -0.0017862400000000, 0.0000563300000000, 0.0030867200000000 ] - [ -0.0024419600000000, 0.0029542700000000, 0.0041259300000000 ] - [ 0.0007171200000000, 0.0008253800000000, -0.0003144300000000 ] - [ 0.0001416600000000, 0.0009370900000000, 0.0017076500000000 ] - [ 0.0008440700000000, -0.0001199700000000, -0.0000126100000000 ] - [ -0.0003179400000000, -0.0008443100000000, -0.0048860900000000 ] - [ -0.0033683800000000, 0.0000803900000000, -0.0021711400000000 ] - [ 0.0007516300000000, 0.0001821100000000, -0.0003538900000000 ] - [ -0.0010414300000000, 0.0001113600000000, 0.0002153600000000 ] - [ 0.0002499400000000, -0.0002398100000000, 0.0030579000000000 ] - [ 0.0016991000000000, -0.0003292400000000, 0.0072950400000000 ] - [ 0.0008973500000000, -0.0014033100000000, -0.0054211800000000 ] - [ -0.0023218400000000, -0.0019793700000000, -0.0038509300000000 ] - [ 0.0000352800000000, -0.0001436000000000, 0.0011214100000000 ] - [ -0.0004925500000000, -0.0001571900000000, 0.0008496100000000 ] - [ 0.0001343400000000, 0.0000196800000000, 0.0032095600000000 ] - [ 0.0016010800000000, -0.0000993300000000, 0.0036320100000000 ] - [ 0.0008549200000000, 0.0002687300000000, -0.0007916000000000 ] - [ 0.0003024000000000, -0.0000026400000000, -0.0011975400000000 ] - [ -0.0005957700000000, 0.0004102800000000, -0.0024645300000000 ] - [ 0.0006695200000000, -0.0005226000000000, -0.0056293300000000 ] - [ -0.0014072100000000, 0.0014450900000000, 0.0048908700000000 ] - [ 0.0003556200000000, -0.0004185700000000, 0.0008985100000000 ] - [ -0.0031795200000000, -0.0004251500000000, 0.0038728800000000 ] - [ 0.0006592300000000, -0.0010492100000000, 0.0009701100000000 ] - [ -0.0004473500000000, 0.0000478200000000, -0.0024818000000000 ] - [ 0.0007541000000000, -0.0001183400000000, -0.0012743100000000 ] - [ 0.0003207900000000, -0.0017788200000000, 0.0033382400000000 ] - [ -0.0001064400000000, 0.0000260400000000, 0.0002374400000000 ] - [ 0.0005559900000000, 0.0009324200000000, -0.0062069800000000 ] - [ -0.0008690300000000, 0.0004559400000000, -0.0011168300000000 ] - [ -0.0013938400000000, -0.0022061600000000, 0.0041148400000000 ] - [ 0.0002240200000000, -0.0001056900000000, 0.0003313900000000 ] - [ 0.0024563900000000, 0.0021989200000000, -0.0137660400000000 ] - [ -0.0001654300000000, 0.0002378300000000, -0.0001726100000000 ] - [ 0.0032842900000000, -0.0024967100000000, -0.0009282500000000 ] - [ -0.0012079300000000, -0.0001848500000000, 0.0001506300000000 ] - [ 0.0005328700000000, 0.0004709900000000, 0.0007386900000000 ] - [ 0.0003203000000000, 0.0004398500000000, 0.0009683700000000 ] - [ 0.0003188900000000, -0.0004456200000000, 0.0008857700000000 ] - [ -0.0000162500000000, -0.0003756100000000, 0.0010546700000000 ] - [ 0.0005469500000000, 0.0013940100000000, -0.0079181300000000 ] - [ -0.0016006700000000, 0.0002589100000000, -0.0000301700000000 ] - [ -0.0005664700000000, -0.0008575100000000, 0.0012056300000000 ] - [ 0.0004875500000000, -0.0006202600000000, 0.0008324400000000 ] - [ 0.0005576300000000, 0.0013578100000000, -0.0019902000000000 ] - [ -0.0009517800000000, 0.0008721600000000, -0.0008370500000000 ] - [ -0.0000793300000000, -0.0007870400000000, -0.0019871600000000 ] - [ 0.0006537900000000, 0.0004334900000000, -0.0024096800000000 ] - [ 0.0023591600000000, 0.0010550700000000, -0.0025686800000000 ] - [ -0.0013828100000000, 0.0003058500000000, 0.0001742000000000 ] - [ -0.0006272800000000, -0.0003794400000000, -0.0039555000000000 ] - [ 0.0056265200000000, -0.0012887700000000, -0.0047217300000000 ] - [ 0.0000236800000000, -0.0001182300000000, 0.0018802000000000 ] - [ 0.0002807200000000, -0.0000498100000000, 0.0014449500000000 ] - [ -0.0011219700000000, -0.0003438700000000, 0.0015945400000000 ] - [ 0.0002582800000000, 0.0004280700000000, 0.0005457500000000 ] - [ 0.0003117100000000, -0.0030601900000000, -0.0006824800000000 ] - [ -0.0002295700000000, 0.0001161000000000, -0.0007056300000000 ] - [ -0.0004478700000000, 0.0003217300000000, 0.0018391200000000 ] - [ 0.0005970300000000, 0.0001223900000000, 0.0014572700000000 ]- atom: 5 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0029311400000000, -0.0021063400000000, -0.0050178500000000 ] - [ 0.0024346500000000, 0.0038987600000000, 0.0069665700000000 ] - [ -0.0006880200000000, 0.0003084300000000, -0.0015515700000000 ] - [ 0.0004069800000000, 0.0004473400000000, 0.0008425200000000 ] - [ -0.0750727700000000, 0.0011884000000000, -0.0043804000000000 ] - [ 0.0096081000000000, 0.0001244800000000, 0.0002672500000000 ] - [ -0.0020209600000000, -0.0000005200000000, 0.0012792200000000 ] - [ 0.0022666000000000, 0.0001310200000000, -0.0009640000000000 ] - [ 0.0030656000000000, 0.0018113000000000, -0.0059024600000000 ] - [ 0.0026644600000000, -0.0027778900000000, 0.0061389600000000 ] - [ -0.0094563100000000, -0.0013329200000000, -0.0003092900000000 ] - [ 0.0053684400000000, -0.0001069400000000, -0.0003572000000000 ] - [ -0.0007062600000000, -0.0001378800000000, -0.0011947900000000 ] - [ 0.0002779200000000, -0.0002087000000000, 0.0013810100000000 ] - [ -0.0035440500000000, 0.0004817300000000, 0.0044592800000000 ] - [ 0.0026108700000000, -0.0004190700000000, -0.0010721100000000 ] - [ -0.0027879000000000, -0.0000309200000000, -0.0008092600000000 ] - [ 0.0023849400000000, 0.0002444300000000, -0.0001985600000000 ] - [ 0.0091555600000000, -0.0137785900000000, 0.0051144400000000 ] - [ 0.0090346500000000, 0.0111267800000000, -0.0069301900000000 ] - [ -0.0028984400000000, -0.0033251200000000, -0.0062512200000000 ] - [ 0.0047982200000000, 0.0004077400000000, 0.0031024700000000 ] - [ 0.0003968400000000, 0.0000742500000000, 0.0001012200000000 ] - [ -0.0005620400000000, 0.0001435500000000, 0.0010067600000000 ] - [ -0.0211570600000000, -0.0002073500000000, -0.0015359900000000 ] - [ 0.0056939900000000, 0.0001596600000000, 0.0007917800000000 ] - [ -0.0015882000000000, -0.0001383100000000, -0.0069605800000000 ] - [ 0.0023054000000000, -0.0002203900000000, 0.0040384300000000 ] - [ -0.0004503900000000, 0.0000850000000000, -0.0005609900000000 ] - [ 0.0002114000000000, 0.0000724900000000, 0.0000544800000000 ] - [ 0.0159496400000000, 0.0043156200000000, 0.0042818300000000 ] - [ 0.0151266400000000, -0.0036972700000000, -0.0047662500000000 ] - [ 0.0003074000000000, -0.0000776500000000, -0.0000644800000000 ] - [ 0.0001544200000000, -0.0001071200000000, 0.0003056700000000 ] - [ -0.0010331000000000, 0.0000668400000000, 0.0020139500000000 ] - [ -0.0007187900000000, 0.0005291400000000, -0.0015896400000000 ] - [ -0.0006175500000000, 0.0001411500000000, 0.0002082300000000 ] - [ -0.0001955500000000, 0.0001927900000000, -0.0002966100000000 ] - [ 0.0005334900000000, -0.0000682300000000, -0.0006267100000000 ] - [ -0.0002502900000000, 0.0000079400000000, -0.0010201000000000 ] - [ 0.0122597700000000, 0.0001586800000000, 0.0029012000000000 ] - [ -0.0042563700000000, -0.0000295100000000, -0.0009081200000000 ] - [ -0.0065349200000000, -0.0003670000000000, 0.0017334100000000 ] - [ 0.0015735900000000, -0.0006994000000000, 0.0015356200000000 ] - [ 0.0015612100000000, -0.0025610900000000, 0.0066443500000000 ] - [ -0.0016863600000000, 0.0008330300000000, -0.0031680600000000 ] - [ 0.0045857200000000, 0.0002298500000000, 0.0006188400000000 ] - [ -0.0008308400000000, 0.0001623000000000, -0.0004660300000000 ] - [ -0.0040509900000000, -0.0012898900000000, -0.0047345400000000 ] - [ -0.0020075800000000, 0.0007152900000000, 0.0041939900000000 ] - [ 0.0028787100000000, 0.0001793500000000, 0.0029245000000000 ] - [ -0.0023564800000000, -0.0000719800000000, -0.0006046700000000 ] - [ 0.0035138200000000, 0.0037932200000000, -0.0025850900000000 ] - [ -0.0065530000000000, 0.0003908100000000, -0.0022149000000000 ] - [ 0.0131373400000000, 0.0001187600000000, 0.0000038400000000 ] - [ -0.0040170000000000, -0.0001393100000000, 0.0012309400000000 ] - [ 0.0064169200000000, -0.0023993400000000, 0.0031268900000000 ] - [ -0.0033271200000000, -0.0003651500000000, 0.0025694900000000 ] - [ -0.0004681400000000, -0.0003463400000000, 0.0002044400000000 ] - [ -0.0005332000000000, -0.0003637100000000, 0.0006123200000000 ] - [ 0.0049709600000000, -0.0013165600000000, -0.0000887200000000 ] - [ -0.0040049600000000, -0.0015258800000000, -0.0010102800000000 ] - [ 0.0004329100000000, 0.0001393800000000, -0.0000792100000000 ] - [ -0.0004671400000000, 0.0000680100000000, -0.0007572200000000 ] - [ 0.0012443600000000, -0.0000242000000000, 0.0016713800000000 ] - [ -0.0012395100000000, 0.0001337100000000, -0.0003347200000000 ] - [ 0.0007806200000000, 0.0020808000000000, -0.0018243500000000 ] - [ -0.0014210500000000, -0.0008540000000000, 0.0002883000000000 ] - [ -0.0001942200000000, 0.0002394300000000, 0.0010517300000000 ] - [ 0.0001848400000000, 0.0005581600000000, -0.0007338100000000 ] - [ -0.0022318400000000, 0.0013857000000000, 0.0005229100000000 ] - [ 0.0008354900000000, -0.0039349400000000, -0.0000326100000000 ] - [ 0.0007118000000000, 0.0007429800000000, 0.0005461300000000 ] - [ 0.0001651500000000, 0.0000342100000000, -0.0014812500000000 ] - [ 0.0001483900000000, -0.0003954700000000, 0.0011909200000000 ] - [ -0.0003143900000000, -0.0003659300000000, -0.0015988500000000 ] - [ 0.0007011700000000, 0.0002541400000000, 0.0010975100000000 ] - [ -0.0006372400000000, -0.0000672200000000, -0.0003233900000000 ] - [ 0.0022525400000000, 0.0008173300000000, 0.0000044700000000 ] - [ -0.0019592000000000, -0.0010525600000000, -0.0004943800000000 ] - [ 0.0006228400000000, 0.0002607100000000, 0.0004130500000000 ] - [ -0.0006766600000000, 0.0005656700000000, -0.0008420200000000 ] - [ 0.0026719100000000, 0.0003459100000000, -0.0008983300000000 ] - [ -0.0010732800000000, -0.0008174100000000, -0.0001412300000000 ] - [ -0.0074883000000000, 0.0029648100000000, 0.0008574600000000 ] - [ 0.0186892400000000, 0.0048452200000000, 0.0022603200000000 ] - [ 0.0021974400000000, -0.0002731300000000, -0.0004338400000000 ] - [ -0.0012642800000000, 0.0007601000000000, -0.0000679900000000 ] - [ 0.0011936500000000, 0.0001896000000000, 0.0011994500000000 ] - [ -0.0008504000000000, -0.0001128300000000, 0.0000807600000000 ] - [ -0.0002250100000000, 0.0002852000000000, -0.0000078400000000 ] - [ -0.0002130200000000, 0.0003671700000000, 0.0004708000000000 ] - [ -0.0003016000000000, 0.0003413300000000, 0.0004963900000000 ] - [ 0.0000899000000000, -0.0000249600000000, -0.0012929700000000 ] - [ 0.0055457500000000, -0.0022228700000000, -0.0032988800000000 ] - [ -0.0021216200000000, 0.0004421200000000, -0.0000219200000000 ]- atom: 5 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0025708700000000, 0.0028863700000000, 0.0056651900000000 ] - [ -0.0021080700000000, -0.0031162700000000, -0.0062966700000000 ] - [ 0.0003485300000000, 0.0004564600000000, 0.0009305100000000 ] - [ -0.0007456800000000, 0.0003149100000000, -0.0014646100000000 ] - [ 0.0736721300000000, -0.0010836900000000, 0.0045700400000000 ] - [ -0.0100767600000000, 0.0002181300000000, 0.0000040000000000 ] - [ 0.0024980900000000, 0.0003605500000000, -0.0015440600000000 ] - [ -0.0017977900000000, 0.0002264500000000, 0.0006842700000000 ] - [ -0.0025841300000000, -0.0021828500000000, 0.0056582400000000 ] - [ -0.0022040000000000, 0.0024026500000000, -0.0063678800000000 ] - [ 0.0091003900000000, 0.0005802000000000, -0.0003149700000000 ] - [ -0.0056993500000000, -0.0006522200000000, -0.0002637100000000 ] - [ 0.0002360800000000, -0.0002209900000000, 0.0014622700000000 ] - [ -0.0007494900000000, -0.0001481700000000, -0.0011096400000000 ] - [ 0.0039080400000000, -0.0012523500000000, -0.0038079400000000 ] - [ -0.0022754300000000, -0.0003456200000000, 0.0016765000000000 ] - [ 0.0028804100000000, 0.0002940700000000, 0.0000600200000000 ] - [ -0.0022914800000000, 0.0000175900000000, -0.0005338500000000 ] - [ -0.0092104700000000, 0.0136298100000000, -0.0044212300000000 ] - [ -0.0090738300000000, -0.0112808900000000, 0.0076125800000000 ] - [ 0.0029211300000000, 0.0031067500000000, 0.0055175600000000 ] - [ -0.0047038300000000, -0.0006724600000000, -0.0038578000000000 ] - [ -0.0004776400000000, 0.0001858200000000, 0.0006496100000000 ] - [ 0.0004583600000000, 0.0001161200000000, -0.0002804900000000 ] - [ 0.0213673100000000, 0.0003603400000000, 0.0019448600000000 ] - [ -0.0054906300000000, -0.0000010700000000, -0.0002570000000000 ] - [ 0.0017715400000000, -0.0000242200000000, 0.0074626700000000 ] - [ -0.0020980000000000, 0.0000623700000000, -0.0035374700000000 ] - [ 0.0002586400000000, 0.0000727000000000, 0.0000495500000000 ] - [ -0.0004103700000000, 0.0000852700000000, -0.0005763100000000 ] - [ -0.0161232000000000, -0.0045685000000000, -0.0047637100000000 ] - [ -0.0152991500000000, 0.0034578400000000, 0.0042399900000000 ] - [ 0.0001470100000000, -0.0000989000000000, 0.0003199200000000 ] - [ 0.0003030700000000, -0.0000696900000000, -0.0000467600000000 ] - [ 0.0005823000000000, 0.0001085600000000, -0.0022683300000000 ] - [ 0.0002511500000000, -0.0003504300000000, 0.0013367000000000 ] - [ -0.0002068200000000, 0.0001966300000000, -0.0002835200000000 ] - [ -0.0006245000000000, 0.0001445700000000, 0.0002313300000000 ] - [ -0.0002806100000000, 0.0000124400000000, -0.0010222500000000 ] - [ 0.0005088100000000, -0.0000628800000000, -0.0006233200000000 ] - [ -0.0125881800000000, -0.0002028200000000, -0.0011097200000000 ] - [ 0.0039894000000000, -0.0000240600000000, 0.0025396400000000 ] - [ 0.0069447800000000, 0.0005703500000000, -0.0014673300000000 ] - [ -0.0008956900000000, 0.0006156900000000, -0.0012749100000000 ] - [ -0.0007172700000000, 0.0022145400000000, -0.0065433200000000 ] - [ 0.0025026100000000, -0.0011757400000000, 0.0032555200000000 ] - [ -0.0037617300000000, 0.0001084800000000, -0.0005141300000000 ] - [ 0.0016493500000000, 0.0001750500000000, 0.0005193400000000 ] - [ 0.0032297600000000, 0.0009650800000000, 0.0046509800000000 ] - [ 0.0011969800000000, -0.0010444600000000, -0.0042533100000000 ] - [ -0.0031228200000000, -0.0001196900000000, -0.0012722800000000 ] - [ 0.0020977500000000, 0.0001262000000000, 0.0022550700000000 ] - [ -0.0035589300000000, -0.0041318800000000, 0.0009414500000000 ] - [ 0.0068298600000000, -0.0003134400000000, 0.0005780000000000 ] - [ -0.0135316800000000, -0.0002862900000000, -0.0001200100000000 ] - [ 0.0035615000000000, -0.0000355800000000, -0.0014987900000000 ] - [ -0.0065725100000000, 0.0017846300000000, -0.0029309100000000 ] - [ 0.0033632000000000, -0.0004405900000000, -0.0020714400000000 ] - [ -0.0005046400000000, -0.0004298000000000, 0.0006385000000000 ] - [ -0.0004352200000000, -0.0004120700000000, 0.0002389100000000 ] - [ -0.0051900800000000, 0.0012857400000000, -0.0006643600000000 ] - [ 0.0038704900000000, 0.0013286300000000, 0.0002400400000000 ] - [ -0.0005646600000000, 0.0000506700000000, -0.0006912900000000 ] - [ 0.0003373000000000, 0.0001211900000000, -0.0000086900000000 ] - [ -0.0011186300000000, 0.0002154200000000, -0.0009017100000000 ] - [ 0.0013701200000000, 0.0000550500000000, 0.0010984800000000 ] - [ -0.0009378000000000, -0.0023338800000000, 0.0010829900000000 ] - [ 0.0012715000000000, 0.0005932500000000, -0.0010182900000000 ] - [ 0.0002412500000000, 0.0005574000000000, -0.0005756200000000 ] - [ -0.0001271600000000, 0.0002433500000000, 0.0012114300000000 ] - [ 0.0018241700000000, -0.0021179600000000, 0.0000042700000000 ] - [ -0.0012164500000000, 0.0031840400000000, 0.0005587000000000 ] - [ 0.0002644500000000, 0.0000317100000000, -0.0013911300000000 ] - [ 0.0008020400000000, 0.0007438800000000, 0.0006368000000000 ] - [ 0.0002639100000000, -0.0003268900000000, -0.0017224000000000 ] - [ 0.0007050900000000, -0.0003590400000000, 0.0010749000000000 ] - [ -0.0005538800000000, 0.0000028100000000, -0.0003607700000000 ] - [ 0.0007857000000000, 0.0003225700000000, 0.0010548100000000 ] - [ -0.0022967300000000, -0.0016266200000000, -0.0004821600000000 ] - [ 0.0019072500000000, 0.0002563900000000, 0.0000203100000000 ] - [ -0.0006759800000000, 0.0005380400000000, -0.0008901800000000 ] - [ 0.0006253700000000, 0.0002339700000000, 0.0003605400000000 ] - [ -0.0016932500000000, -0.0011305400000000, 0.0000575000000000 ] - [ 0.0020420800000000, 0.0000413600000000, -0.0007078300000000 ] - [ 0.0065558400000000, -0.0022362300000000, -0.0000056600000000 ] - [ -0.0184756100000000, -0.0035052000000000, -0.0013372100000000 ] - [ -0.0017952900000000, 0.0009980800000000, -0.0000910400000000 ] - [ 0.0016555500000000, -0.0000388700000000, -0.0004636100000000 ] - [ -0.0010654800000000, -0.0003892100000000, -0.0004467400000000 ] - [ 0.0009804900000000, -0.0000757700000000, 0.0006912800000000 ] - [ -0.0001730500000000, 0.0004381800000000, 0.0005308700000000 ] - [ -0.0001804900000000, 0.0003554200000000, 0.0000601200000000 ] - [ 0.0001484800000000, -0.0000837600000000, -0.0012348200000000 ] - [ -0.0002333900000000, 0.0002788900000000, 0.0005573000000000 ] - [ -0.0054093700000000, 0.0019336900000000, 0.0039916000000000 ] - [ 0.0022688200000000, -0.0006947200000000, 0.0007660100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0038265900000000, 0.0011046900000000, 0.0048261500000000 ] - [ 0.0037115600000000, 0.0017231700000000, 0.0043426700000000 ] - [ -0.0002700200000000, 0.0003814400000000, 0.0002576800000000 ] - [ -0.0001377500000000, 0.0003652900000000, -0.0000910700000000 ] - [ 0.0011694200000000, -0.0646240400000000, -0.0062024400000000 ] - [ -0.0002862000000000, -0.0038189100000000, -0.0000956400000000 ] - [ 0.0004143500000000, 0.0029300000000000, -0.0001620000000000 ] - [ 0.0002839100000000, 0.0018100500000000, 0.0002933900000000 ] - [ 0.0022346700000000, -0.0007518700000000, -0.0045693100000000 ] - [ -0.0023484300000000, -0.0009783600000000, -0.0048406000000000 ] - [ 0.0007894100000000, 0.0194307600000000, -0.0012970100000000 ] - [ -0.0005003100000000, 0.0033118600000000, -0.0006520900000000 ] - [ -0.0002761000000000, 0.0000323200000000, -0.0001774100000000 ] - [ -0.0002056800000000, -0.0000264000000000, 0.0000281400000000 ] - [ 0.0009823200000000, -0.0040848200000000, -0.0008142400000000 ] - [ 0.0001429700000000, -0.0020355900000000, 0.0004843700000000 ] - [ 0.0003022700000000, 0.0046297500000000, -0.0006079400000000 ] - [ -0.0000565400000000, 0.0015405300000000, -0.0006937700000000 ] - [ -0.0154281800000000, 0.0069463600000000, -0.0071510900000000 ] - [ 0.0077940600000000, 0.0046458100000000, -0.0029397900000000 ] - [ -0.0015815000000000, 0.0022887700000000, 0.0071695100000000 ] - [ 0.0022768500000000, -0.0004083900000000, 0.0027435400000000 ] - [ -0.0001844000000000, -0.0007103100000000, 0.0004379200000000 ] - [ 0.0003616400000000, -0.0007833000000000, 0.0008856500000000 ] - [ 0.0002563400000000, -0.0014386200000000, 0.0023627700000000 ] - [ 0.0000130400000000, 0.0001928100000000, 0.0001683500000000 ] - [ 0.0002756900000000, -0.0002722100000000, -0.0067813700000000 ] - [ -0.0006998400000000, 0.0000264400000000, -0.0015261100000000 ] - [ -0.0002044500000000, 0.0000757100000000, -0.0003256700000000 ] - [ -0.0000343400000000, -0.0000116100000000, -0.0003043200000000 ] - [ 0.0162119800000000, 0.0020188700000000, 0.0065331600000000 ] - [ -0.0158858200000000, 0.0004778200000000, 0.0060608100000000 ] - [ 0.0002757600000000, -0.0002599200000000, 0.0001049100000000 ] - [ 0.0001789400000000, -0.0003463600000000, 0.0001051900000000 ] - [ -0.0023090400000000, 0.0002154500000000, 0.0024306100000000 ] - [ -0.0000898400000000, -0.0001543900000000, 0.0007019600000000 ] - [ -0.0003581600000000, -0.0000600600000000, 0.0000459000000000 ] - [ -0.0004304900000000, -0.0003978600000000, 0.0000318600000000 ] - [ 0.0002034400000000, -0.0003822300000000, -0.0007826200000000 ] - [ 0.0001110000000000, -0.0001721900000000, -0.0008387000000000 ] - [ 0.0002882300000000, 0.0051282000000000, -0.0002437800000000 ] - [ -0.0002282300000000, 0.0010127100000000, 0.0008483400000000 ] - [ -0.0073705300000000, 0.0001623300000000, 0.0015083700000000 ] - [ 0.0024649400000000, 0.0050823500000000, -0.0016231000000000 ] - [ -0.0010187800000000, -0.0019176500000000, 0.0059195900000000 ] - [ 0.0015598300000000, -0.0006448400000000, 0.0015520100000000 ] - [ 0.0002469500000000, -0.0004216400000000, -0.0010676000000000 ] - [ 0.0004371900000000, 0.0002385700000000, 0.0000373000000000 ] - [ -0.0043281100000000, -0.0005247500000000, -0.0061351500000000 ] - [ 0.0021731800000000, -0.0004782900000000, -0.0052821900000000 ] - [ 0.0010638000000000, -0.0001855300000000, 0.0030038300000000 ] - [ 0.0006598500000000, -0.0000113000000000, 0.0015257500000000 ] - [ 0.0024134100000000, 0.0106029300000000, -0.0027879200000000 ] - [ 0.0078608000000000, 0.0007698300000000, 0.0007082000000000 ] - [ -0.0002863500000000, 0.0048354600000000, -0.0002677400000000 ] - [ -0.0000709800000000, 0.0007738600000000, -0.0001149200000000 ] - [ -0.0024700800000000, 0.0055474000000000, -0.0007325700000000 ] - [ -0.0014799100000000, 0.0006305100000000, 0.0013090600000000 ] - [ -0.0004338800000000, -0.0002280400000000, 0.0004737100000000 ] - [ -0.0006247000000000, -0.0002210200000000, 0.0003716000000000 ] - [ -0.0009330600000000, 0.0083387100000000, 0.0017257100000000 ] - [ -0.0016680600000000, -0.0007709300000000, -0.0004996000000000 ] - [ -0.0001142400000000, 0.0005352600000000, -0.0004045100000000 ] - [ -0.0001264700000000, 0.0003775200000000, -0.0004517900000000 ] - [ 0.0000215500000000, -0.0024142200000000, 0.0004722600000000 ] - [ 0.0000285400000000, -0.0010145300000000, 0.0006089500000000 ] - [ 0.0002124400000000, -0.0040486400000000, 0.0019304600000000 ] - [ -0.0009576500000000, -0.0014667800000000, -0.0000839300000000 ] - [ 0.0002769300000000, 0.0007811800000000, -0.0002561000000000 ] - [ -0.0000344200000000, 0.0006377600000000, -0.0001911300000000 ] - [ 0.0027153100000000, -0.0028975800000000, 0.0001916500000000 ] - [ -0.0011994900000000, -0.0039200100000000, 0.0001513100000000 ] - [ 0.0008237300000000, -0.0004329600000000, -0.0014566700000000 ] - [ 0.0005116300000000, -0.0002151800000000, -0.0012206400000000 ] - [ 0.0009322100000000, 0.0003118700000000, -0.0016333300000000 ] - [ 0.0002937800000000, 0.0003659700000000, -0.0010295400000000 ] - [ 0.0000862700000000, -0.0004544600000000, -0.0000754600000000 ] - [ -0.0001761800000000, -0.0002811100000000, 0.0001967200000000 ] - [ -0.0003264400000000, -0.0031588200000000, -0.0018574100000000 ] - [ -0.0006162900000000, -0.0012805100000000, -0.0007256400000000 ] - [ -0.0001348400000000, 0.0000236900000000, 0.0002472500000000 ] - [ 0.0001891400000000, 0.0000750400000000, 0.0001078200000000 ] - [ 0.0003138700000000, -0.0033763400000000, 0.0022212300000000 ] - [ 0.0002213800000000, -0.0009768400000000, 0.0001375800000000 ] - [ 0.0037885300000000, 0.0027313600000000, 0.0000159000000000 ] - [ 0.0049659100000000, 0.0051768400000000, 0.0012007700000000 ] - [ 0.0002120000000000, -0.0026655400000000, -0.0020517700000000 ] - [ 0.0007680200000000, -0.0003879200000000, -0.0003806400000000 ] - [ -0.0002465100000000, -0.0003522700000000, -0.0008976000000000 ] - [ -0.0000003800000000, -0.0000574500000000, 0.0000201900000000 ] - [ -0.0001538200000000, 0.0005983200000000, 0.0002252100000000 ] - [ -0.0001138500000000, 0.0006251900000000, 0.0000648000000000 ] - [ -0.0001846300000000, 0.0005643000000000, 0.0000547100000000 ] - [ -0.0003424300000000, 0.0006423300000000, 0.0000179400000000 ] - [ -0.0022869500000000, 0.0048887500000000, 0.0054460100000000 ] - [ -0.0004781000000000, 0.0009164200000000, 0.0000151400000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0041493200000000, -0.0003725000000000, -0.0041790900000000 ] - [ -0.0033609900000000, -0.0010002500000000, -0.0037127500000000 ] - [ -0.0000675100000000, 0.0003890000000000, -0.0008800700000000 ] - [ -0.0002018700000000, 0.0004013900000000, -0.0005339100000000 ] - [ -0.0011264700000000, 0.0651523600000000, 0.0065469600000000 ] - [ -0.0001927100000000, 0.0041854700000000, 0.0003674100000000 ] - [ 0.0000530100000000, -0.0025745100000000, -0.0001295700000000 ] - [ 0.0001889800000000, -0.0014542000000000, -0.0005676400000000 ] - [ -0.0017668800000000, 0.0004266500000000, 0.0043173400000000 ] - [ 0.0028243900000000, 0.0006590200000000, 0.0045852700000000 ] - [ -0.0011267900000000, -0.0202510600000000, 0.0006828700000000 ] - [ 0.0001578200000000, -0.0040773600000000, 0.0000317400000000 ] - [ -0.0001934600000000, -0.0003961700000000, 0.0004443800000000 ] - [ -0.0002663500000000, -0.0003346300000000, 0.0002402800000000 ] - [ -0.0006324600000000, 0.0033169900000000, 0.0014669400000000 ] - [ 0.0001924900000000, 0.0012722600000000, 0.0001374800000000 ] - [ -0.0002234700000000, -0.0043704300000000, -0.0000955700000000 ] - [ 0.0001457200000000, -0.0012808000000000, -0.0000421800000000 ] - [ 0.0152217900000000, -0.0072416000000000, 0.0078149400000000 ] - [ -0.0078540600000000, -0.0049715600000000, 0.0036928700000000 ] - [ 0.0016679900000000, -0.0024828700000000, -0.0079330700000000 ] - [ -0.0021958600000000, 0.0001572900000000, -0.0034971800000000 ] - [ 0.0000959300000000, 0.0009710100000000, 0.0003025400000000 ] - [ -0.0004673400000000, 0.0010437700000000, -0.0001686700000000 ] - [ -0.0000259000000000, 0.0015880100000000, -0.0019558700000000 ] - [ 0.0001776900000000, -0.0000354000000000, 0.0003469300000000 ] - [ -0.0000860100000000, 0.0001116500000000, 0.0072719700000000 ] - [ 0.0008977400000000, -0.0001845700000000, 0.0020420200000000 ] - [ 0.0000084300000000, 0.0000820600000000, -0.0001917300000000 ] - [ -0.0001608200000000, 0.0001691600000000, -0.0002047500000000 ] - [ -0.0164925200000000, -0.0022279400000000, -0.0070513700000000 ] - [ 0.0157505700000000, -0.0006742300000000, -0.0065883500000000 ] - [ 0.0001813000000000, 0.0000837400000000, 0.0001537700000000 ] - [ 0.0002786200000000, 0.0001697900000000, 0.0001499100000000 ] - [ 0.0018462100000000, -0.0000378400000000, -0.0026763500000000 ] - [ -0.0003674400000000, 0.0003364600000000, -0.0009591400000000 ] - [ -0.0004635200000000, 0.0003979500000000, -0.0001163300000000 ] - [ -0.0003941100000000, 0.0007359300000000, -0.0001133500000000 ] - [ 0.0000516300000000, 0.0003268300000000, -0.0008625100000000 ] - [ 0.0001414600000000, 0.0001178100000000, -0.0008101300000000 ] - [ -0.0005615200000000, -0.0051675800000000, 0.0018817200000000 ] - [ -0.0000218800000000, -0.0010693900000000, 0.0008001700000000 ] - [ 0.0078452000000000, 0.0000331900000000, -0.0012543000000000 ] - [ -0.0016676200000000, -0.0053193900000000, 0.0018680200000000 ] - [ 0.0018303200000000, 0.0015935400000000, -0.0058218300000000 ] - [ -0.0007389600000000, 0.0003151500000000, -0.0014790800000000 ] - [ 0.0005731000000000, 0.0007604300000000, 0.0011978700000000 ] - [ 0.0003862400000000, 0.0000995400000000, 0.0000343600000000 ] - [ 0.0035321000000000, 0.0001842900000000, 0.0060905600000000 ] - [ -0.0030053600000000, 0.0001354900000000, 0.0052334400000000 ] - [ -0.0013147200000000, 0.0002461100000000, -0.0013504300000000 ] - [ -0.0009161800000000, 0.0000669800000000, 0.0001208400000000 ] - [ -0.0026492200000000, -0.0111135700000000, 0.0011488000000000 ] - [ -0.0076216300000000, -0.0007029300000000, -0.0023534700000000 ] - [ -0.0001783700000000, -0.0050178600000000, 0.0000203300000000 ] - [ -0.0003816000000000, -0.0009507200000000, -0.0001430400000000 ] - [ 0.0024070500000000, -0.0062800000000000, 0.0011168100000000 ] - [ 0.0015373500000000, -0.0014260300000000, -0.0008401300000000 ] - [ -0.0005365700000000, -0.0005473500000000, 0.0003719700000000 ] - [ -0.0003455400000000, -0.0005522100000000, 0.0004807800000000 ] - [ 0.0004327100000000, -0.0077816000000000, -0.0023711400000000 ] - [ 0.0015459600000000, 0.0005960600000000, -0.0002677500000000 ] - [ -0.0000171100000000, -0.0003454600000000, -0.0003645500000000 ] - [ -0.0000030000000000, -0.0001886300000000, -0.0003142100000000 ] - [ 0.0001190700000000, 0.0026036000000000, 0.0002824400000000 ] - [ 0.0001001800000000, 0.0012050200000000, 0.0001552900000000 ] - [ -0.0003454200000000, 0.0037935600000000, -0.0026446700000000 ] - [ 0.0008033700000000, 0.0012138500000000, -0.0006495100000000 ] - [ -0.0002271400000000, 0.0000190400000000, 0.0007332800000000 ] - [ 0.0000909100000000, 0.0001654300000000, 0.0006733700000000 ] - [ -0.0030958700000000, 0.0021756400000000, 0.0003349200000000 ] - [ 0.0007679700000000, 0.0032094000000000, 0.0003788000000000 ] - [ 0.0001438400000000, 0.0012066300000000, 0.0006156000000000 ] - [ 0.0004601700000000, 0.0009915100000000, 0.0003783500000000 ] - [ -0.0005278600000000, -0.0010391500000000, 0.0011002900000000 ] - [ 0.0000990400000000, -0.0010943700000000, 0.0005054500000000 ] - [ 0.0000662200000000, 0.0007170100000000, 0.0008036000000000 ] - [ 0.0003272900000000, 0.0005400000000000, 0.0005382200000000 ] - [ 0.0002645700000000, 0.0023568700000000, 0.0014122100000000 ] - [ 0.0005681400000000, 0.0004839100000000, 0.0002506300000000 ] - [ 0.0000872900000000, 0.0007697900000000, -0.0007332200000000 ] - [ -0.0002395200000000, 0.0007230300000000, -0.0005873600000000 ] - [ 0.0006510300000000, 0.0026034200000000, -0.0030979800000000 ] - [ 0.0007500500000000, 0.0001987700000000, -0.0009856900000000 ] - [ -0.0047568300000000, -0.0019260200000000, 0.0008308000000000 ] - [ -0.0057078700000000, -0.0043372400000000, -0.0003543800000000 ] - [ 0.0001750400000000, 0.0033852000000000, 0.0014985700000000 ] - [ -0.0003726500000000, 0.0011122500000000, -0.0001486300000000 ] - [ 0.0003751300000000, 0.0001495000000000, 0.0016622400000000 ] - [ 0.0001315800000000, -0.0001342900000000, 0.0007502400000000 ] - [ -0.0002428800000000, 0.0001237200000000, 0.0003006600000000 ] - [ -0.0002813000000000, 0.0000949600000000, 0.0004668800000000 ] - [ 0.0000343000000000, -0.0003100400000000, -0.0007919000000000 ] - [ 0.0001988800000000, -0.0003917800000000, -0.0007508500000000 ] - [ 0.0024578800000000, -0.0051255800000000, -0.0047805200000000 ] - [ 0.0006301500000000, -0.0011783500000000, 0.0007211500000000 ]- atom: 5 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ -0.0056648700000000, 0.0052220800000000, 0.0013247200000000 ] - [ 0.0050020600000000, 0.0037080000000000, -0.0017885000000000 ] - [ -0.0015170600000000, 0.0003293000000000, 0.0045274800000000 ] - [ 0.0008669500000000, 0.0003498300000000, 0.0021018700000000 ] - [ 0.0151220200000000, -0.0061203400000000, -0.0729365800000000 ] - [ -0.0027039400000000, -0.0000338200000000, -0.0027923900000000 ] - [ 0.0021850800000000, 0.0002394800000000, 0.0016879300000000 ] - [ -0.0010925400000000, -0.0002237400000000, 0.0014054200000000 ] - [ -0.0061083100000000, -0.0050102700000000, 0.0013902400000000 ] - [ 0.0056347000000000, -0.0040468800000000, -0.0016319300000000 ] - [ 0.0023567400000000, 0.0005061800000000, -0.0070805000000000 ] - [ -0.0016237000000000, -0.0001907900000000, -0.0025557100000000 ] - [ -0.0013969300000000, 0.0001134200000000, 0.0048396800000000 ] - [ 0.0008287900000000, -0.0000670900000000, 0.0026699700000000 ] - [ 0.0050538100000000, -0.0017325900000000, 0.0109008900000000 ] - [ -0.0018792600000000, -0.0002346800000000, 0.0027705100000000 ] - [ -0.0001342500000000, -0.0003388000000000, 0.0021399400000000 ] - [ 0.0002337200000000, 0.0001372100000000, 0.0004864500000000 ] - [ 0.0036782200000000, -0.0044396200000000, -0.0113405900000000 ] - [ -0.0053157700000000, -0.0040204300000000, -0.0036200400000000 ] - [ -0.0085282200000000, 0.0123131400000000, 0.0086632300000000 ] - [ 0.0004165100000000, 0.0005667600000000, -0.0010591200000000 ] - [ -0.0009044900000000, 0.0001457900000000, 0.0047034000000000 ] - [ 0.0037594100000000, 0.0001974500000000, 0.0082147800000000 ] - [ 0.0034020800000000, 0.0010723700000000, 0.0277195700000000 ] - [ -0.0010254700000000, 0.0000945300000000, 0.0019367300000000 ] - [ -0.0022653300000000, -0.0007381700000000, 0.0082277900000000 ] - [ 0.0019431500000000, -0.0002126900000000, 0.0004492600000000 ] - [ 0.0002174500000000, 0.0000191600000000, 0.0026464700000000 ] - [ -0.0002484000000000, 0.0000137800000000, 0.0034348200000000 ] - [ -0.0034642000000000, 0.0001612400000000, -0.0094881400000000 ] - [ -0.0048073600000000, 0.0020254300000000, -0.0069931100000000 ] - [ 0.0003337100000000, -0.0000640800000000, -0.0011651000000000 ] - [ 0.0010415800000000, -0.0000551400000000, -0.0016358000000000 ] - [ 0.0026904500000000, -0.0000340000000000, -0.0033925200000000 ] - [ -0.0017988800000000, 0.0008245600000000, -0.0006089800000000 ] - [ -0.0005261100000000, 0.0002311100000000, -0.0021626700000000 ] - [ -0.0008372500000000, 0.0002816300000000, -0.0030376300000000 ] - [ -0.0003805300000000, -0.0000569300000000, -0.0024370400000000 ] - [ -0.0005222800000000, 0.0000329700000000, -0.0022778800000000 ] - [ -0.0027989400000000, -0.0000042000000000, 0.0019492200000000 ] - [ -0.0003051000000000, 0.0000039300000000, 0.0012241600000000 ] - [ 0.0011416700000000, 0.0005655400000000, 0.0022326200000000 ] - [ -0.0010132600000000, -0.0000220000000000, 0.0057682900000000 ] - [ 0.0027206300000000, 0.0032280600000000, -0.0043653100000000 ] - [ -0.0007729300000000, 0.0004753500000000, 0.0005344100000000 ] - [ -0.0016238300000000, -0.0001982900000000, -0.0127969800000000 ] - [ 0.0004836900000000, 0.0001549500000000, -0.0013413000000000 ] - [ -0.0005874100000000, -0.0014039700000000, 0.0059995400000000 ] - [ 0.0022403400000000, -0.0022803700000000, 0.0045113200000000 ] - [ -0.0002602700000000, 0.0012019100000000, -0.0018024800000000 ] - [ -0.0008455600000000, 0.0000431600000000, 0.0000598900000000 ] - [ -0.0001286800000000, -0.0014979400000000, 0.0048914400000000 ] - [ 0.0029820300000000, 0.0003825900000000, 0.0021305100000000 ] - [ -0.0006048700000000, 0.0004023700000000, 0.0051531500000000 ] - [ 0.0014967900000000, -0.0000858700000000, -0.0004518100000000 ] - [ 0.0001600300000000, 0.0004180700000000, 0.0098449100000000 ] - [ 0.0016453800000000, -0.0003320800000000, 0.0008559400000000 ] - [ -0.0006181800000000, -0.0002322800000000, -0.0013627800000000 ] - [ -0.0003177000000000, -0.0010887000000000, -0.0020349700000000 ] - [ -0.0008022400000000, 0.0016650900000000, 0.0064056300000000 ] - [ 0.0007622000000000, 0.0002100000000000, 0.0010751900000000 ] - [ 0.0002409000000000, 0.0001323400000000, -0.0026670900000000 ] - [ -0.0005385700000000, 0.0000594800000000, -0.0018655200000000 ] - [ 0.0002975600000000, 0.0001622700000000, 0.0008047900000000 ] - [ -0.0002108200000000, 0.0000695700000000, 0.0010453000000000 ] - [ -0.0006292900000000, 0.0007212200000000, 0.0017694300000000 ] - [ 0.0008817000000000, 0.0003486800000000, 0.0003690400000000 ] - [ 0.0008556700000000, 0.0004049900000000, -0.0016539100000000 ] - [ -0.0015092900000000, -0.0006395900000000, -0.0015154300000000 ] - [ 0.0005076900000000, -0.0008981900000000, 0.0017657500000000 ] - [ -0.0006154000000000, 0.0004543600000000, 0.0024353400000000 ] - [ 0.0014148000000000, -0.0003312200000000, -0.0017018700000000 ] - [ 0.0000415400000000, 0.0004460100000000, -0.0006829200000000 ] - [ 0.0030581500000000, -0.0006216800000000, -0.0035205800000000 ] - [ -0.0010814800000000, -0.0012244900000000, -0.0006158500000000 ] - [ 0.0003088900000000, -0.0004960300000000, -0.0010414800000000 ] - [ -0.0002336800000000, -0.0001147300000000, -0.0002405300000000 ] - [ -0.0005202600000000, -0.0038406000000000, 0.0004280300000000 ] - [ 0.0002139500000000, -0.0003939500000000, 0.0001823300000000 ] - [ 0.0002711400000000, 0.0009433300000000, -0.0017300800000000 ] - [ -0.0003837800000000, 0.0006475500000000, -0.0008609800000000 ] - [ -0.0002636100000000, 0.0020795600000000, -0.0007981900000000 ] - [ 0.0013565600000000, 0.0000373500000000, -0.0002062900000000 ] - [ 0.0009887000000000, -0.0005805300000000, 0.0043327700000000 ] - [ -0.0054024500000000, -0.0010365500000000, 0.0052921500000000 ] - [ -0.0003023000000000, -0.0010319500000000, -0.0003048600000000 ] - [ 0.0011001300000000, -0.0001786100000000, -0.0001551100000000 ] - [ -0.0004717700000000, -0.0023022800000000, -0.0033429100000000 ] - [ 0.0001098100000000, -0.0002080400000000, -0.0001973500000000 ] - [ -0.0003971300000000, 0.0002273200000000, -0.0014244400000000 ] - [ 0.0001377800000000, 0.0010035000000000, -0.0022820800000000 ] - [ 0.0006664700000000, 0.0000849800000000, -0.0022013200000000 ] - [ -0.0015208400000000, 0.0011117000000000, -0.0020747900000000 ] - [ -0.0036077100000000, 0.0027289600000000, 0.0190615600000000 ] - [ 0.0002618600000000, -0.0003353900000000, 0.0008795800000000 ]- atom: 5 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ 0.0059751300000000, -0.0044249700000000, -0.0007228700000000 ] - [ -0.0046539800000000, -0.0029418800000000, 0.0023689800000000 ] - [ 0.0011777800000000, 0.0004259800000000, -0.0051530600000000 ] - [ -0.0012051200000000, 0.0004096800000000, -0.0027227800000000 ] - [ -0.0155984300000000, 0.0067910800000000, 0.0735747800000000 ] - [ 0.0022293100000000, 0.0003884800000000, 0.0030615100000000 ] - [ -0.0017275500000000, 0.0001129000000000, -0.0019474700000000 ] - [ 0.0015719100000000, 0.0005817000000000, -0.0016652700000000 ] - [ 0.0065359200000000, 0.0046169300000000, -0.0016710400000000 ] - [ -0.0051466300000000, 0.0036807100000000, 0.0013270800000000 ] - [ -0.0026990900000000, -0.0012573500000000, 0.0064547300000000 ] - [ 0.0012857300000000, -0.0005674700000000, 0.0019307000000000 ] - [ 0.0009244700000000, -0.0004643600000000, -0.0045712900000000 ] - [ -0.0012988200000000, -0.0002875500000000, -0.0023979600000000 ] - [ -0.0047680700000000, 0.0009897900000000, -0.0103271200000000 ] - [ 0.0022329300000000, -0.0005260600000000, -0.0021374100000000 ] - [ 0.0002228600000000, 0.0005935900000000, -0.0028955400000000 ] - [ -0.0001481800000000, 0.0001230900000000, -0.0012408700000000 ] - [ -0.0037043100000000, 0.0041375300000000, 0.0121274100000000 ] - [ 0.0052135300000000, 0.0037352100000000, 0.0044406000000000 ] - [ 0.0086880900000000, -0.0126830900000000, -0.0094624000000000 ] - [ -0.0003202800000000, -0.0008289700000000, 0.0003418700000000 ] - [ 0.0008050200000000, 0.0001154800000000, -0.0039704900000000 ] - [ -0.0038228000000000, 0.0000641900000000, -0.0074565800000000 ] - [ -0.0031318800000000, -0.0008975400000000, -0.0269195800000000 ] - [ 0.0012112900000000, 0.0000624700000000, -0.0014322300000000 ] - [ 0.0024765800000000, 0.0005891000000000, -0.0077355600000000 ] - [ -0.0017466300000000, 0.0000538700000000, 0.0000927000000000 ] - [ -0.0004198800000000, 0.0001387100000000, -0.0031698300000000 ] - [ 0.0000589300000000, 0.0001441000000000, -0.0039526000000000 ] - [ 0.0033492600000000, -0.0003040200000000, 0.0090256600000000 ] - [ 0.0045352400000000, -0.0021901800000000, 0.0065989800000000 ] - [ 0.0001227800000000, -0.0001119500000000, 0.0014246100000000 ] - [ -0.0005937600000000, -0.0001211500000000, 0.0018964700000000 ] - [ -0.0031560000000000, 0.0002107500000000, 0.0031388000000000 ] - [ 0.0013507500000000, -0.0006495900000000, 0.0003402100000000 ] - [ -0.0002938900000000, 0.0001067000000000, 0.0020990800000000 ] - [ 0.0000125400000000, 0.0000568900000000, 0.0029686300000000 ] - [ 0.0006456900000000, 0.0000021300000000, 0.0007965800000000 ] - [ 0.0007791700000000, -0.0000878900000000, 0.0006330200000000 ] - [ 0.0022643400000000, -0.0000244600000000, 0.0002485500000000 ] - [ 0.0000533900000000, -0.0000594800000000, 0.0004298600000000 ] - [ -0.0007217300000000, -0.0003862300000000, -0.0019685600000000 ] - [ 0.0015060500000000, 0.0001826400000000, -0.0055455200000000 ] - [ -0.0019178000000000, -0.0035957300000000, 0.0044255600000000 ] - [ 0.0015900200000000, -0.0008101800000000, -0.0004847500000000 ] - [ 0.0024253900000000, 0.0005341100000000, 0.0128425700000000 ] - [ 0.0003431400000000, 0.0001832100000000, 0.0014234700000000 ] - [ -0.0002401600000000, 0.0010682400000000, -0.0061058500000000 ] - [ -0.0030780700000000, 0.0019631000000000, -0.0046528200000000 ] - [ 0.0000013700000000, -0.0011563200000000, 0.0034508400000000 ] - [ 0.0005815800000000, 0.0000112100000000, 0.0015773700000000 ] - [ 0.0003652800000000, 0.0015602900000000, -0.0065614200000000 ] - [ -0.0026919100000000, -0.0003274600000000, -0.0037820500000000 ] - [ 0.0003008500000000, -0.0005583800000000, -0.0049243800000000 ] - [ -0.0019410100000000, -0.0000909500000000, 0.0001977600000000 ] - [ -0.0003078700000000, -0.0011020900000000, -0.0095958800000000 ] - [ -0.0015952200000000, -0.0004670900000000, -0.0003962200000000 ] - [ -0.0003479100000000, -0.0005467100000000, 0.0022129800000000 ] - [ -0.0006547800000000, 0.0003100900000000, 0.0028768700000000 ] - [ 0.0006439600000000, -0.0018229700000000, -0.0071760800000000 ] - [ -0.0008766000000000, -0.0003920800000000, -0.0018364000000000 ] - [ -0.0003666900000000, 0.0000555700000000, 0.0019058600000000 ] - [ 0.0004078600000000, 0.0001286000000000, 0.0010987300000000 ] - [ -0.0001696400000000, 0.0000290100000000, -0.0000270400000000 ] - [ 0.0003396300000000, 0.0001201300000000, -0.0002740500000000 ] - [ 0.0004800000000000, -0.0009716000000000, -0.0025210700000000 ] - [ -0.0010343000000000, -0.0006083900000000, -0.0011139400000000 ] - [ -0.0008001200000000, 0.0003886700000000, 0.0021332900000000 ] - [ 0.0015528100000000, 0.0014304500000000, 0.0019942300000000 ] - [ -0.0009112300000000, 0.0001785700000000, -0.0012343500000000 ] - [ 0.0002281800000000, -0.0011668800000000, -0.0019106200000000 ] - [ -0.0004499100000000, 0.0011128900000000, 0.0008508800000000 ] - [ 0.0009289400000000, 0.0003308700000000, -0.0001713300000000 ] - [ -0.0026757500000000, -0.0000979300000000, 0.0030014300000000 ] - [ 0.0014830000000000, 0.0005034500000000, 0.0000801700000000 ] - [ -0.0001586500000000, 0.0007478000000000, 0.0017803900000000 ] - [ 0.0003839100000000, 0.0003719200000000, 0.0009803400000000 ] - [ 0.0004717900000000, 0.0030715600000000, -0.0009212700000000 ] - [ -0.0002675300000000, -0.0004015300000000, -0.0006674300000000 ] - [ -0.0003214500000000, -0.0001393200000000, 0.0012543500000000 ] - [ 0.0003323300000000, 0.0001513000000000, 0.0003867300000000 ] - [ 0.0012284300000000, -0.0028378200000000, -0.0000394800000000 ] - [ -0.0003816900000000, -0.0008125900000000, -0.0006334700000000 ] - [ -0.0019752500000000, 0.0013569800000000, -0.0034696900000000 ] - [ 0.0044299400000000, 0.0018340200000000, -0.0044077400000000 ] - [ 0.0006924900000000, 0.0017508300000000, -0.0002107300000000 ] - [ -0.0007029300000000, 0.0009007600000000, -0.0003673000000000 ] - [ 0.0006015400000000, 0.0021231100000000, 0.0041153600000000 ] - [ 0.0000155000000000, 0.0000200300000000, 0.0009558100000000 ] - [ 0.0000050800000000, 0.0004984400000000, 0.0019543200000000 ] - [ -0.0005368400000000, -0.0002778300000000, 0.0028047100000000 ] - [ -0.0008118500000000, 0.0001750000000000, 0.0014669000000000 ] - [ 0.0013638000000000, -0.0008491600000000, 0.0013394900000000 ] - [ 0.0040616700000000, -0.0034533500000000, -0.0197275100000000 ] - [ -0.0001149800000000, 0.0000766200000000, -0.0001523100000000 ]- atom: 17 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0081402000000000, 0.0148227600000000, 0.0066453500000000 ] - [ 0.0093615600000000, -0.0074569900000000, -0.0026411600000000 ] - [ -0.0029056400000000, -0.0009926000000000, -0.0097492900000000 ] - [ 0.0043887400000000, 0.0026175700000000, 0.0014127600000000 ] - [ -0.0030706700000000, 0.0004403900000000, -0.0008167200000000 ] - [ 0.0021050900000000, 0.0000765400000000, 0.0009716000000000 ] - [ 0.0006747900000000, 0.0003183200000000, -0.0008930000000000 ] - [ -0.0002777600000000, -0.0002373200000000, 0.0036658300000000 ] - [ 0.0094129900000000, -0.0154594600000000, 0.0061766300000000 ] - [ 0.0092858300000000, 0.0076732900000000, -0.0031393100000000 ] - [ -0.0118152600000000, -0.0001792100000000, -0.0040963400000000 ] - [ 0.0039673000000000, -0.0005171500000000, 0.0008535000000000 ] - [ -0.0031352800000000, 0.0014358400000000, -0.0095871700000000 ] - [ 0.0045189700000000, -0.0024218600000000, 0.0018222300000000 ] - [ 0.0006612000000000, -0.0005322800000000, -0.0001101800000000 ] - [ -0.0003594200000000, -0.0003561100000000, 0.0007921700000000 ] - [ -0.2295311800000000, 0.0004365800000000, 0.0136530400000000 ] - [ 0.0098558900000000, 0.0001100300000000, -0.0007006200000000 ] - [ -0.0008511800000000, 0.0011612800000000, 0.0038278800000000 ] - [ 0.0010702600000000, -0.0012075600000000, -0.0014539700000000 ] - [ -0.0013273700000000, 0.0003701700000000, -0.0015878600000000 ] - [ 0.0017500100000000, 0.0001906000000000, 0.0017969300000000 ] - [ 0.0039163100000000, -0.0000873800000000, -0.0022714800000000 ] - [ -0.0041219100000000, 0.0001036100000000, 0.0015970800000000 ] - [ -0.0095028700000000, 0.0002217900000000, 0.0024698200000000 ] - [ 0.0067947900000000, 0.0001465500000000, 0.0002097300000000 ] - [ -0.0016077800000000, 0.0000049600000000, -0.0010235400000000 ] - [ 0.0019205900000000, -0.0001526400000000, 0.0024073800000000 ] - [ 0.0050050900000000, 0.0001743000000000, -0.0055492700000000 ] - [ -0.0057634800000000, -0.0009316900000000, 0.0430787300000000 ] - [ 0.0001232000000000, -0.0002749800000000, 0.0031738100000000 ] - [ 0.0020624900000000, -0.0001098100000000, -0.0016146900000000 ] - [ -0.0042109600000000, -0.0001346500000000, 0.0024909100000000 ] - [ 0.0173448300000000, 0.0001732900000000, -0.0125794800000000 ] - [ 0.0010286700000000, 0.0005792600000000, 0.0002611100000000 ] - [ -0.0010902700000000, 0.0001014600000000, -0.0006342600000000 ] - [ -0.0041870600000000, 0.0000733400000000, 0.0030161200000000 ] - [ 0.0552728900000000, 0.0007419500000000, 0.0222835000000000 ] - [ -0.0019915800000000, -0.0001457400000000, 0.0013704100000000 ] - [ -0.0088272100000000, 0.0005854400000000, -0.0144214000000000 ] - [ 0.0054041900000000, -0.0000272200000000, 0.0013603700000000 ] - [ -0.0047869000000000, -0.0000901900000000, -0.0002758500000000 ] - [ -0.0001612100000000, 0.0005628600000000, -0.0019084800000000 ] - [ -0.0010411100000000, -0.0006899300000000, 0.0022005000000000 ] - [ 0.0009563000000000, -0.0000773700000000, 0.0012299900000000 ] - [ -0.0002539600000000, -0.0002920300000000, -0.0020052400000000 ] - [ 0.0034675700000000, 0.0000546900000000, -0.0004327000000000 ] - [ -0.0016595800000000, 0.0001960400000000, -0.0000415600000000 ] - [ -0.0007735700000000, -0.0003823800000000, -0.0023695100000000 ] - [ -0.0005965700000000, -0.0001538000000000, 0.0012573000000000 ] - [ 0.0007767400000000, -0.0000552500000000, 0.0021341800000000 ] - [ -0.0016037700000000, 0.0007713700000000, -0.0006480100000000 ] - [ 0.0011611900000000, 0.0015508700000000, -0.0031474300000000 ] - [ -0.0014317500000000, -0.0001070200000000, -0.0003718700000000 ] - [ 0.0048137600000000, -0.0001442700000000, -0.0018723500000000 ] - [ -0.0051903700000000, 0.0000200500000000, 0.0008387900000000 ] - [ 0.0002680200000000, -0.0005125400000000, -0.0001560500000000 ] - [ -0.0002367900000000, -0.0002571000000000, 0.0002908700000000 ] - [ -0.0020031200000000, -0.0000938300000000, 0.0010228300000000 ] - [ 0.0012719100000000, 0.0000566100000000, 0.0004171300000000 ] - [ 0.0027684600000000, -0.0010833000000000, -0.0012511500000000 ] - [ -0.0014783600000000, 0.0001041800000000, -0.0001045200000000 ] - [ -0.0002816900000000, 0.0001600100000000, 0.0007896500000000 ] - [ -0.0000648000000000, 0.0000704400000000, -0.0012391100000000 ] - [ 0.0313420500000000, 0.0004989900000000, 0.0101083300000000 ] - [ -0.0042684100000000, 0.0000183100000000, 0.0009307300000000 ] - [ 0.0005729600000000, -0.0000078500000000, -0.0008593000000000 ] - [ -0.0004672700000000, -0.0000262400000000, -0.0005455700000000 ] - [ -0.0019378200000000, -0.0013600900000000, 0.0020521500000000 ] - [ 0.0000793000000000, 0.0024205600000000, -0.0008764500000000 ] - [ -0.0016161800000000, -0.0014194800000000, -0.0026905900000000 ] - [ -0.0010150600000000, 0.0000851000000000, 0.0027461400000000 ] - [ 0.0016801700000000, -0.0002568600000000, -0.0003531400000000 ] - [ -0.0003937600000000, 0.0003071300000000, -0.0011625400000000 ] - [ 0.0007797800000000, -0.0003009100000000, 0.0004283500000000 ] - [ -0.0003594000000000, -0.0005218100000000, -0.0007814100000000 ] - [ 0.0345274700000000, 0.0270442900000000, -0.0128439700000000 ] - [ -0.0030926300000000, -0.0001016100000000, 0.0002949400000000 ] - [ 0.0004447100000000, -0.0003659300000000, 0.0001032700000000 ] - [ -0.0007066800000000, -0.0006056100000000, -0.0010831500000000 ] - [ 0.0355536300000000, -0.0241109300000000, -0.0152221000000000 ] - [ -0.0032628500000000, 0.0005520600000000, -0.0002636000000000 ] - [ 0.0281674600000000, 0.0162607200000000, -0.0120577100000000 ] - [ -0.0031744900000000, -0.0008409800000000, -0.0004730900000000 ] - [ -0.0007604400000000, -0.0001827100000000, -0.0009440400000000 ] - [ -0.0004698900000000, 0.0009217400000000, 0.0012581200000000 ] - [ 0.0310721500000000, -0.0188895600000000, -0.0165566000000000 ] - [ -0.0036462800000000, 0.0008837200000000, -0.0002093400000000 ] - [ 0.0001053100000000, -0.0000887200000000, 0.0012127000000000 ] - [ -0.0003329700000000, -0.0008269000000000, -0.0006779200000000 ] - [ -0.0017571600000000, -0.0000069600000000, 0.0008835400000000 ] - [ 0.0016070300000000, 0.0003277100000000, 0.0002877900000000 ] - [ -0.0021995200000000, 0.0020180900000000, 0.0014862400000000 ] - [ -0.0000044300000000, -0.0020092700000000, -0.0014407600000000 ] - [ 0.0004915700000000, -0.0002231800000000, 0.0006624200000000 ] - [ -0.0003677500000000, -0.0001356300000000, -0.0002379700000000 ]- atom: 17 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0078006200000000, -0.0141464900000000, -0.0060517700000000 ] - [ -0.0090305800000000, 0.0081713700000000, 0.0032300400000000 ] - [ 0.0025822200000000, 0.0017633800000000, 0.0091076200000000 ] - [ -0.0047277400000000, -0.0018475700000000, -0.0020241500000000 ] - [ 0.0026012000000000, -0.0000847900000000, 0.0010992600000000 ] - [ -0.0025766200000000, 0.0002793000000000, -0.0007060600000000 ] - [ -0.0002006200000000, 0.0000376900000000, 0.0006342800000000 ] - [ 0.0007480100000000, 0.0005930300000000, -0.0039283800000000 ] - [ -0.0089514300000000, 0.0152020600000000, -0.0064791000000000 ] - [ -0.0088164400000000, -0.0079710200000000, 0.0028332100000000 ] - [ 0.0114691300000000, -0.0005846600000000, 0.0035471900000000 ] - [ -0.0043034200000000, -0.0002433100000000, -0.0014888000000000 ] - [ 0.0026831200000000, -0.0018015200000000, 0.0098368100000000 ] - [ -0.0049900400000000, 0.0020568000000000, -0.0015404000000000 ] - [ -0.0003188100000000, -0.0002294500000000, 0.0007368100000000 ] - [ 0.0006942000000000, -0.0004059000000000, -0.0001699400000000 ] - [ 0.2295030500000000, -0.0000014000000000, -0.0154440900000000 ] - [ -0.0097660900000000, 0.0001509600000000, -0.0000474100000000 ] - [ 0.0007725800000000, -0.0014210600000000, -0.0030834800000000 ] - [ -0.0011676200000000, 0.0009461600000000, 0.0021969500000000 ] - [ 0.0014167200000000, -0.0006303600000000, 0.0008503600000000 ] - [ -0.0016609300000000, -0.0004501000000000, -0.0025355500000000 ] - [ -0.0039958700000000, 0.0003481300000000, 0.0030153300000000 ] - [ 0.0040079500000000, 0.0001574100000000, -0.0008594100000000 ] - [ 0.0097023800000000, -0.0000653700000000, -0.0019464300000000 ] - [ -0.0066026800000000, 0.0000108100000000, 0.0003062800000000 ] - [ 0.0018042200000000, -0.0001625900000000, 0.0015433800000000 ] - [ -0.0017265100000000, -0.0000050500000000, -0.0018880100000000 ] - [ -0.0051954600000000, -0.0000177600000000, 0.0050798200000000 ] - [ 0.0056922300000000, 0.0010909100000000, -0.0435082700000000 ] - [ -0.0003051500000000, 0.0001177500000000, -0.0036875000000000 ] - [ -0.0022757800000000, -0.0000472900000000, 0.0010982200000000 ] - [ 0.0046728100000000, -0.0000410200000000, -0.0022501400000000 ] - [ -0.0168432900000000, -0.0003464300000000, 0.0127688400000000 ] - [ -0.0014804800000000, -0.0004015600000000, -0.0005198300000000 ] - [ 0.0006379900000000, 0.0000756100000000, 0.0003730400000000 ] - [ 0.0033823600000000, 0.0002647900000000, -0.0031160700000000 ] - [ -0.0540652800000000, -0.0003908700000000, -0.0199356800000000 ] - [ 0.0022378000000000, 0.0000913500000000, -0.0030346600000000 ] - [ 0.0091093700000000, -0.0006452700000000, 0.0128290600000000 ] - [ -0.0056751600000000, -0.0000273800000000, 0.0002803500000000 ] - [ 0.0045302500000000, 0.0000342700000000, 0.0019220300000000 ] - [ 0.0006083300000000, -0.0003874600000000, 0.0021714600000000 ] - [ 0.0015094100000000, 0.0008685900000000, -0.0019480900000000 ] - [ -0.0001333000000000, -0.0002607300000000, -0.0011630400000000 ] - [ 0.0010773600000000, -0.0000458200000000, 0.0020735500000000 ] - [ -0.0026397900000000, 0.0002825200000000, 0.0005023200000000 ] - [ 0.0024821600000000, 0.0001419300000000, 0.0001115100000000 ] - [ -0.0000527100000000, 0.0000442800000000, 0.0022982700000000 ] - [ -0.0002227900000000, -0.0001843700000000, -0.0013308300000000 ] - [ -0.0010396300000000, 0.0001115600000000, -0.0004899200000000 ] - [ 0.0013456700000000, -0.0007158300000000, 0.0022910100000000 ] - [ -0.0009180800000000, -0.0014952200000000, 0.0015002500000000 ] - [ 0.0017017100000000, 0.0001603800000000, -0.0012662400000000 ] - [ -0.0052611000000000, -0.0000308400000000, 0.0016142700000000 ] - [ 0.0047415700000000, -0.0001970700000000, -0.0010972500000000 ] - [ -0.0002187800000000, -0.0002848000000000, 0.0006316200000000 ] - [ 0.0002892200000000, -0.0005407300000000, 0.0001873800000000 ] - [ 0.0010300200000000, -0.0006813400000000, -0.0001764900000000 ] - [ -0.0022351700000000, -0.0008324600000000, 0.0004341500000000 ] - [ -0.0029071700000000, 0.0008918300000000, 0.0004830300000000 ] - [ 0.0013525900000000, -0.0002918400000000, -0.0006557600000000 ] - [ 0.0001490900000000, 0.0000284800000000, -0.0015535300000000 ] - [ -0.0000600100000000, 0.0001178500000000, 0.0004736000000000 ] - [ -0.0328140400000000, -0.0002976300000000, -0.0109332000000000 ] - [ 0.0043785100000000, 0.0001710800000000, -0.0001569200000000 ] - [ -0.0007266500000000, -0.0002519400000000, 0.0001188700000000 ] - [ 0.0003195400000000, -0.0002307700000000, -0.0001901000000000 ] - [ 0.0019771300000000, 0.0021540400000000, -0.0015754900000000 ] - [ -0.0000216500000000, -0.0016143100000000, 0.0013530400000000 ] - [ 0.0012160200000000, 0.0006937200000000, 0.0032194700000000 ] - [ 0.0006334600000000, -0.0008074000000000, -0.0022188800000000 ] - [ -0.0007078300000000, 0.0010313200000000, -0.0004960400000000 ] - [ 0.0013627400000000, 0.0004693900000000, 0.0003117600000000 ] - [ -0.0003828000000000, -0.0004234200000000, -0.0009539700000000 ] - [ 0.0007529100000000, -0.0002034600000000, 0.0002517400000000 ] - [ -0.0348101000000000, -0.0279632100000000, 0.0142162800000000 ] - [ 0.0032377800000000, 0.0003676700000000, 0.0004393400000000 ] - [ -0.0004936400000000, -0.0004271800000000, -0.0005882700000000 ] - [ 0.0006540500000000, -0.0001898000000000, 0.0006046800000000 ] - [ -0.0361862100000000, 0.0261410200000000, 0.0155604700000000 ] - [ 0.0032063100000000, 0.0002378100000000, -0.0002161700000000 ] - [ -0.0270569000000000, -0.0164670900000000, 0.0107527200000000 ] - [ 0.0041445200000000, 0.0000584800000000, -0.0003673900000000 ] - [ -0.0002138900000000, 0.0009599500000000, 0.0017925400000000 ] - [ -0.0004958200000000, -0.0001444800000000, -0.0004120400000000 ] - [ -0.0303025500000000, 0.0187659400000000, 0.0152666600000000 ] - [ 0.0040400300000000, -0.0001538700000000, -0.0003127300000000 ] - [ 0.0000208000000000, -0.0001010500000000, -0.0004493600000000 ] - [ 0.0004608600000000, 0.0006376000000000, 0.0014392000000000 ] - [ 0.0013584200000000, 0.0007299400000000, -0.0003572900000000 ] - [ -0.0019960500000000, 0.0003965800000000, 0.0002432100000000 ] - [ 0.0020381200000000, -0.0017577700000000, -0.0022240700000000 ] - [ -0.0001382500000000, 0.0022562900000000, 0.0007032800000000 ] - [ -0.0003407800000000, -0.0000360100000000, 0.0000708400000000 ] - [ 0.0005164200000000, -0.0001238900000000, 0.0009727300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0127345200000000, 0.0073742200000000, 0.0089009900000000 ] - [ -0.0102391300000000, 0.0059693300000000, 0.0016752700000000 ] - [ -0.0029610800000000, 0.0026382500000000, 0.0104479500000000 ] - [ 0.0002981400000000, 0.0000619100000000, 0.0004597900000000 ] - [ -0.0003957600000000, 0.0046777000000000, -0.0004037500000000 ] - [ -0.0001225900000000, 0.0015897800000000, 0.0001716200000000 ] - [ 0.0002917700000000, -0.0006620700000000, -0.0001360700000000 ] - [ 0.0002209500000000, -0.0007343400000000, -0.0002140000000000 ] - [ -0.0135119700000000, 0.0069103200000000, -0.0083436200000000 ] - [ 0.0114589100000000, 0.0046218400000000, -0.0011028800000000 ] - [ -0.0000201000000000, -0.0117860800000000, -0.0014086700000000 ] - [ -0.0001718600000000, -0.0020014100000000, -0.0002288600000000 ] - [ 0.0029827700000000, 0.0022149500000000, -0.0119281400000000 ] - [ -0.0007754200000000, -0.0004540400000000, -0.0007335000000000 ] - [ 0.0002183400000000, 0.0005629700000000, 0.0003051500000000 ] - [ 0.0001956100000000, 0.0008677000000000, 0.0002212400000000 ] - [ 0.0011494500000000, -0.2439818500000000, 0.0004181800000000 ] - [ 0.0000252000000000, -0.0028688800000000, -0.0005177900000000 ] - [ 0.0012413000000000, -0.0002456900000000, 0.0025436000000000 ] - [ -0.0011232800000000, 0.0005999700000000, 0.0017732300000000 ] - [ -0.0004553000000000, -0.0002268900000000, -0.0003494100000000 ] - [ -0.0002758800000000, -0.0001276200000000, -0.0007888800000000 ] - [ 0.0001714000000000, 0.0050282600000000, 0.0002157100000000 ] - [ -0.0000067300000000, 0.0074306800000000, 0.0003175500000000 ] - [ 0.0001693500000000, 0.0057144400000000, 0.0010814900000000 ] - [ 0.0002195600000000, -0.0001465300000000, 0.0004375400000000 ] - [ 0.0002174700000000, -0.0000848700000000, -0.0001490200000000 ] - [ 0.0000503700000000, -0.0000811800000000, 0.0004194300000000 ] - [ -0.0000592800000000, -0.0002077900000000, -0.0001615100000000 ] - [ -0.0004166900000000, 0.0012020700000000, -0.0006029100000000 ] - [ -0.0016505800000000, -0.0002593400000000, -0.0018584900000000 ] - [ 0.0024754300000000, -0.0003377100000000, -0.0017954700000000 ] - [ 0.0002146100000000, -0.0000635300000000, 0.0001121700000000 ] - [ 0.0002246300000000, 0.0037396900000000, 0.0002208500000000 ] - [ 0.0001375800000000, 0.0001447900000000, 0.0007136500000000 ] - [ -0.0001395200000000, 0.0001083600000000, -0.0001241400000000 ] - [ -0.0003501000000000, 0.0017549500000000, -0.0000546000000000 ] - [ -0.0001434100000000, 0.0172248800000000, 0.0000282300000000 ] - [ 0.0000707700000000, 0.0022817600000000, -0.0008596700000000 ] - [ 0.0001324700000000, -0.0024287200000000, -0.0009769200000000 ] - [ -0.0001797600000000, -0.0051481400000000, 0.0006920800000000 ] - [ -0.0002628000000000, -0.0021529600000000, 0.0008082400000000 ] - [ 0.0012463000000000, 0.0001914100000000, 0.0010836800000000 ] - [ -0.0019961700000000, -0.0007645800000000, 0.0028515600000000 ] - [ 0.0003963400000000, -0.0002822600000000, 0.0001012800000000 ] - [ 0.0003532400000000, -0.0001617400000000, -0.0001680000000000 ] - [ 0.0004703200000000, -0.0045153100000000, -0.0003726700000000 ] - [ 0.0003425700000000, -0.0005590100000000, -0.0000597000000000 ] - [ 0.0000762300000000, -0.0000968000000000, 0.0015464700000000 ] - [ -0.0008812200000000, 0.0000275500000000, 0.0016022100000000 ] - [ -0.0007073200000000, 0.0000606300000000, 0.0015535500000000 ] - [ -0.0001466200000000, 0.0000001100000000, 0.0008712200000000 ] - [ 0.0016147500000000, -0.0000848400000000, 0.0011439500000000 ] - [ -0.0012761700000000, 0.0000495800000000, -0.0004293600000000 ] - [ -0.0001928300000000, -0.0046541000000000, -0.0002098800000000 ] - [ -0.0002267100000000, -0.0018999200000000, -0.0001304300000000 ] - [ 0.0000933500000000, -0.0009798800000000, -0.0003198600000000 ] - [ 0.0002464900000000, -0.0007703100000000, 0.0000482600000000 ] - [ -0.0008434300000000, -0.0007483200000000, 0.0008165900000000 ] - [ 0.0005466100000000, -0.0022440900000000, 0.0015501000000000 ] - [ -0.0014589100000000, -0.0007778100000000, -0.0033186500000000 ] - [ 0.0005173900000000, -0.0002155400000000, -0.0009441100000000 ] - [ -0.0001523900000000, -0.0019991400000000, -0.0003300600000000 ] - [ -0.0000546600000000, -0.0009514500000000, -0.0003799800000000 ] - [ -0.0000085100000000, 0.0212034600000000, 0.0004176600000000 ] - [ 0.0002042200000000, 0.0021068600000000, 0.0004198100000000 ] - [ 0.0001323500000000, 0.0005401300000000, -0.0007498800000000 ] - [ 0.0003129900000000, 0.0002526800000000, -0.0007221000000000 ] - [ -0.0029115900000000, -0.0032690400000000, 0.0016609700000000 ] - [ 0.0008731100000000, -0.0017567200000000, 0.0016980100000000 ] - [ -0.0006902500000000, 0.0004335700000000, -0.0002764500000000 ] - [ 0.0010705800000000, 0.0002625800000000, -0.0021359000000000 ] - [ 0.0003081900000000, 0.0009804100000000, -0.0008044400000000 ] - [ 0.0004233100000000, 0.0006008000000000, -0.0003554200000000 ] - [ 0.0000345900000000, -0.0009260200000000, -0.0007944300000000 ] - [ 0.0001556800000000, -0.0005593100000000, -0.0001902900000000 ] - [ 0.0250869200000000, 0.0567703400000000, -0.0207962800000000 ] - [ 0.0007383300000000, 0.0009661400000000, 0.0008381300000000 ] - [ 0.0001993400000000, 0.0000117000000000, -0.0003199500000000 ] - [ 0.0001081500000000, -0.0001156200000000, -0.0001944500000000 ] - [ -0.0254070300000000, 0.0517788900000000, 0.0228357400000000 ] - [ -0.0006770700000000, 0.0013106200000000, -0.0006550000000000 ] - [ 0.0150148900000000, 0.0464674500000000, -0.0204172900000000 ] - [ 0.0015352800000000, 0.0007785800000000, -0.0003734400000000 ] - [ -0.0011032400000000, -0.0005382500000000, -0.0003799600000000 ] - [ -0.0004266200000000, -0.0006657900000000, -0.0001928000000000 ] - [ -0.0152423000000000, 0.0424263500000000, 0.0194171900000000 ] - [ -0.0009000700000000, 0.0016145000000000, -0.0002734300000000 ] - [ 0.0005576900000000, -0.0000695800000000, -0.0001517500000000 ] - [ -0.0000103800000000, -0.0000822500000000, 0.0002342400000000 ] - [ 0.0000680700000000, -0.0000533600000000, -0.0000661400000000 ] - [ -0.0011558000000000, -0.0015793400000000, -0.0006761400000000 ] - [ 0.0026521100000000, -0.0033560500000000, -0.0016452000000000 ] - [ -0.0010255000000000, -0.0019452600000000, -0.0019059500000000 ] - [ 0.0002806500000000, -0.0005351100000000, 0.0003999600000000 ] - [ 0.0001954000000000, -0.0003967100000000, 0.0004231400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0124878700000000, -0.0066002300000000, -0.0083120400000000 ] - [ 0.0106102600000000, -0.0051880800000000, -0.0010748000000000 ] - [ 0.0026100800000000, -0.0018946700000000, -0.0110550100000000 ] - [ -0.0006368100000000, 0.0006847400000000, -0.0010775700000000 ] - [ -0.0000711100000000, -0.0043245100000000, 0.0006514000000000 ] - [ -0.0003493900000000, -0.0012337700000000, 0.0000950600000000 ] - [ 0.0001801900000000, 0.0010191200000000, -0.0001348300000000 ] - [ 0.0002487100000000, 0.0010924200000000, -0.0000682900000000 ] - [ 0.0138825800000000, -0.0072789900000000, 0.0080406400000000 ] - [ -0.0109504200000000, -0.0049957300000000, 0.0008104800000000 ] - [ -0.0003349900000000, 0.0110164900000000, 0.0008484400000000 ] - [ -0.0001639200000000, 0.0012378100000000, -0.0003927400000000 ] - [ -0.0034689100000000, -0.0025547100000000, 0.0122209100000000 ] - [ 0.0003046600000000, 0.0001127600000000, 0.0010088000000000 ] - [ 0.0001209600000000, -0.0013245400000000, 0.0003168000000000 ] - [ 0.0001431500000000, -0.0016290300000000, 0.0004083200000000 ] - [ 0.0007315900000000, 0.2444463100000000, -0.0011213100000000 ] - [ 0.0000658200000000, 0.0031289300000000, -0.0002209400000000 ] - [ -0.0013375700000000, -0.0000034800000000, -0.0018073200000000 ] - [ 0.0010326100000000, -0.0008531300000000, -0.0010340500000000 ] - [ 0.0005452300000000, -0.0000404800000000, -0.0003938700000000 ] - [ 0.0003641900000000, -0.0001369400000000, 0.0000461600000000 ] - [ -0.0002643300000000, -0.0047679900000000, 0.0005322200000000 ] - [ -0.0000606700000000, -0.0071691900000000, 0.0004650300000000 ] - [ 0.0000436300000000, -0.0055566400000000, -0.0006044300000000 ] - [ -0.0000263500000000, 0.0003042400000000, 0.0000850500000000 ] - [ -0.0000203800000000, -0.0000730100000000, 0.0006649700000000 ] - [ 0.0001439700000000, -0.0000767900000000, 0.0000972200000000 ] - [ -0.0001333700000000, 0.0003656100000000, -0.0003590000000000 ] - [ 0.0001832500000000, -0.0010389100000000, 0.0000103400000000 ] - [ 0.0014496400000000, 0.0001001400000000, 0.0013396800000000 ] - [ -0.0026718800000000, 0.0001804300000000, 0.0012732100000000 ] - [ 0.0002389600000000, -0.0001128200000000, 0.0001470200000000 ] - [ 0.0002033000000000, -0.0039183600000000, 0.0000860300000000 ] - [ -0.0005937100000000, 0.0000285100000000, -0.0009701100000000 ] - [ -0.0003158200000000, 0.0000671300000000, -0.0001335700000000 ] - [ -0.0004750500000000, -0.0014173000000000, -0.0000140600000000 ] - [ -0.0010899600000000, -0.0168914400000000, -0.0005179600000000 ] - [ 0.0001831600000000, -0.0023374700000000, -0.0007845700000000 ] - [ 0.0001639300000000, 0.0023704200000000, -0.0006164900000000 ] - [ -0.0000713900000000, 0.0050919300000000, 0.0009655900000000 ] - [ 0.0000057300000000, 0.0020970700000000, 0.0008383300000000 ] - [ -0.0007892800000000, -0.0000116200000000, -0.0008239400000000 ] - [ 0.0024531500000000, 0.0009474900000000, -0.0025929900000000 ] - [ 0.0004254700000000, -0.0000568100000000, -0.0000303700000000 ] - [ 0.0004692800000000, -0.0001773100000000, 0.0002387300000000 ] - [ 0.0003428000000000, 0.0048542000000000, 0.0004561700000000 ] - [ 0.0004779600000000, 0.0008968700000000, 0.0001257700000000 ] - [ -0.0008964900000000, -0.0002408300000000, -0.0016122700000000 ] - [ 0.0000602000000000, -0.0003650600000000, -0.0016700800000000 ] - [ 0.0004507800000000, -0.0000068400000000, 0.0000929000000000 ] - [ -0.0001081600000000, 0.0000511300000000, 0.0007753400000000 ] - [ -0.0013532500000000, 0.0001514600000000, -0.0027844700000000 ] - [ 0.0015322000000000, 0.0000066300000000, -0.0012137600000000 ] - [ -0.0002760800000000, 0.0044791800000000, -0.0000313000000000 ] - [ -0.0002228200000000, 0.0017235600000000, -0.0001283500000000 ] - [ -0.0000413800000000, 0.0001790500000000, 0.0008010200000000 ] - [ -0.0001955500000000, -0.0000304400000000, 0.0004303200000000 ] - [ -0.0001257700000000, -0.0000302500000000, 0.0000283900000000 ] - [ -0.0015168200000000, 0.0014630500000000, -0.0007187300000000 ] - [ 0.0013323900000000, 0.0005777700000000, 0.0025630400000000 ] - [ -0.0006485200000000, 0.0000234100000000, 0.0001773900000000 ] - [ 0.0000226400000000, 0.0021886000000000, -0.0004403600000000 ] - [ -0.0000810100000000, 0.0011400700000000, -0.0003956600000000 ] - [ 0.0003866200000000, -0.0210130500000000, 0.0005952400000000 ] - [ -0.0000704500000000, -0.0019161400000000, 0.0003473400000000 ] - [ -0.0002833400000000, -0.0008000000000000, 0.0000131000000000 ] - [ -0.0004625600000000, -0.0005103000000000, -0.0000125300000000 ] - [ 0.0029612000000000, 0.0040605300000000, -0.0011876100000000 ] - [ -0.0008402900000000, 0.0025520800000000, -0.0012298700000000 ] - [ 0.0002935600000000, -0.0011648500000000, 0.0007989800000000 ] - [ -0.0014585700000000, -0.0009889000000000, 0.0026601200000000 ] - [ 0.0006599900000000, -0.0002009300000000, -0.0000389300000000 ] - [ 0.0005473800000000, 0.0001779600000000, -0.0004900800000000 ] - [ 0.0003628200000000, 0.0002052900000000, 0.0002679700000000 ] - [ 0.0002400800000000, -0.0001630300000000, -0.0003364000000000 ] - [ -0.0271217400000000, -0.0592918100000000, 0.0233236000000000 ] - [ -0.0005887400000000, -0.0007141300000000, -0.0001028100000000 ] - [ -0.0002493500000000, -0.0008058000000000, -0.0001611000000000 ] - [ -0.0001578600000000, -0.0006797700000000, -0.0002823200000000 ] - [ 0.0234662500000000, -0.0489161600000000, -0.0216445500000000 ] - [ 0.0006261900000000, -0.0005061200000000, 0.0001759300000000 ] - [ -0.0127083700000000, -0.0453203800000000, 0.0178001900000000 ] - [ -0.0005612700000000, -0.0015502300000000, -0.0004725600000000 ] - [ 0.0001342500000000, 0.0013129500000000, 0.0012299100000000 ] - [ -0.0005480700000000, 0.0014385800000000, 0.0010426900000000 ] - [ 0.0169448000000000, -0.0431060300000000, -0.0214970300000000 ] - [ 0.0012958600000000, -0.0008971100000000, -0.0002544600000000 ] - [ -0.0004280000000000, -0.0001176800000000, 0.0009202300000000 ] - [ 0.0001414700000000, -0.0001027300000000, 0.0005342300000000 ] - [ -0.0004632800000000, 0.0007781800000000, 0.0005912100000000 ] - [ 0.0007615000000000, 0.0023064000000000, 0.0011878400000000 ] - [ -0.0028033300000000, 0.0036196300000000, 0.0009044300000000 ] - [ 0.0008578000000000, 0.0022043000000000, 0.0011589300000000 ] - [ -0.0001319600000000, 0.0002797600000000, 0.0003391000000000 ] - [ -0.0000460200000000, 0.0001403200000000, 0.0003136900000000 ]- atom: 17 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0028278300000000, 0.0040854900000000, -0.0105110100000000 ] - [ -0.0097055400000000, 0.0065014400000000, -0.0040008800000000 ] - [ -0.0049810400000000, 0.0075621100000000, 0.0101529300000000 ] - [ 0.0018958800000000, 0.0027688800000000, -0.0002049000000000 ] - [ 0.0000906400000000, -0.0001376700000000, 0.0027989400000000 ] - [ -0.0006896600000000, -0.0001086700000000, 0.0008267400000000 ] - [ -0.0001517200000000, 0.0000753200000000, 0.0043307500000000 ] - [ 0.0009919700000000, -0.0002217200000000, 0.0068778400000000 ] - [ 0.0024428500000000, -0.0033744200000000, -0.0122658200000000 ] - [ -0.0091650000000000, -0.0054362900000000, -0.0052863900000000 ] - [ -0.0005383000000000, -0.0021522300000000, 0.0271200800000000 ] - [ -0.0003214800000000, -0.0004042400000000, 0.0008407800000000 ] - [ -0.0051673700000000, -0.0079239200000000, 0.0102117300000000 ] - [ 0.0018671500000000, -0.0025988400000000, -0.0000959400000000 ] - [ -0.0003844100000000, -0.0003588600000000, 0.0033500700000000 ] - [ 0.0006657600000000, -0.0003447000000000, 0.0035958600000000 ] - [ 0.0744446600000000, 0.0007544600000000, -0.2318357400000000 ] - [ -0.0028518300000000, -0.0000076900000000, -0.0068334800000000 ] - [ 0.0034902100000000, 0.0016254500000000, 0.0049586200000000 ] - [ -0.0021002000000000, 0.0015019300000000, 0.0059953000000000 ] - [ -0.0007732800000000, -0.0002779800000000, 0.0060912100000000 ] - [ 0.0016814100000000, 0.0001888600000000, 0.0038439600000000 ] - [ -0.0036352100000000, 0.0003405800000000, -0.0007006700000000 ] - [ 0.0022161700000000, 0.0002086600000000, -0.0039583600000000 ] - [ 0.0052742800000000, -0.0004167500000000, -0.0118085800000000 ] - [ -0.0025861200000000, -0.0000808400000000, -0.0048345800000000 ] - [ -0.0012371800000000, -0.0002198700000000, 0.0064446300000000 ] - [ 0.0014946000000000, -0.0001860600000000, 0.0043986500000000 ] - [ -0.0050459500000000, 0.0001468100000000, -0.0016692800000000 ] - [ 0.0202803100000000, -0.0005680400000000, 0.0273370500000000 ] - [ 0.0048421400000000, 0.0001361400000000, 0.0040745200000000 ] - [ -0.0048238000000000, 0.0001034000000000, 0.0048847400000000 ] - [ 0.0022743500000000, -0.0000828300000000, -0.0005529500000000 ] - [ -0.0022181400000000, 0.0001533800000000, -0.0090334300000000 ] - [ 0.0013893800000000, 0.0007054400000000, -0.0034586600000000 ] - [ -0.0003019100000000, 0.0001584800000000, -0.0016475900000000 ] - [ 0.0023230800000000, 0.0002189800000000, 0.0021829600000000 ] - [ 0.0132586600000000, 0.0003549500000000, 0.0282518100000000 ] - [ 0.0043845500000000, 0.0000751100000000, -0.0016074900000000 ] - [ -0.0098174700000000, 0.0003731800000000, -0.0080515600000000 ] - [ -0.0007893100000000, 0.0002652200000000, 0.0040453200000000 ] - [ 0.0030727100000000, -0.0000105700000000, 0.0028845600000000 ] - [ -0.0015703800000000, 0.0004704300000000, 0.0002625400000000 ] - [ 0.0046246900000000, 0.0020640300000000, -0.0035564200000000 ] - [ 0.0004013300000000, -0.0004241600000000, -0.0050581800000000 ] - [ -0.0004496600000000, -0.0003262100000000, -0.0033367200000000 ] - [ -0.0006291400000000, 0.0003750900000000, 0.0073236600000000 ] - [ 0.0017279700000000, 0.0002206000000000, 0.0036672700000000 ] - [ -0.0018462200000000, -0.0003598900000000, -0.0036401000000000 ] - [ 0.0001742500000000, -0.0003683000000000, -0.0045542600000000 ] - [ -0.0001019600000000, 0.0001938100000000, -0.0018327300000000 ] - [ -0.0018606600000000, 0.0007093900000000, -0.0012177200000000 ] - [ -0.0044992200000000, 0.0024475600000000, -0.0036223100000000 ] - [ 0.0019425600000000, 0.0001979000000000, -0.0016525500000000 ] - [ -0.0039394400000000, 0.0001194100000000, 0.0040777600000000 ] - [ 0.0002934500000000, -0.0000857200000000, 0.0012740800000000 ] - [ -0.0002967200000000, -0.0008907800000000, -0.0017389800000000 ] - [ 0.0002937400000000, -0.0005349900000000, -0.0013439500000000 ] - [ -0.0000169000000000, -0.0001239600000000, 0.0002496600000000 ] - [ -0.0018075500000000, 0.0014719500000000, 0.0001828000000000 ] - [ -0.0028195100000000, -0.0028698100000000, -0.0031495300000000 ] - [ 0.0009821100000000, -0.0004394100000000, -0.0011169200000000 ] - [ 0.0010885900000000, 0.0000720700000000, -0.0010765800000000 ] - [ -0.0006515600000000, 0.0000832500000000, -0.0002972200000000 ] - [ 0.0011205900000000, 0.0004732000000000, 0.0276571100000000 ] - [ 0.0029069000000000, 0.0002119800000000, 0.0019763200000000 ] - [ -0.0012546400000000, -0.0006802100000000, -0.0033946000000000 ] - [ 0.0006563100000000, 0.0001504300000000, -0.0027680900000000 ] - [ 0.0022675100000000, 0.0020225100000000, 0.0014667300000000 ] - [ -0.0005813200000000, 0.0006168300000000, 0.0031393800000000 ] - [ -0.0017193400000000, -0.0011958400000000, -0.0009176500000000 ] - [ 0.0032501300000000, -0.0022970100000000, -0.0032964600000000 ] - [ 0.0014261500000000, -0.0002575700000000, -0.0035207600000000 ] - [ 0.0001031600000000, 0.0000786400000000, -0.0019515200000000 ] - [ 0.0003554700000000, -0.0005308200000000, -0.0024177600000000 ] - [ 0.0000349400000000, -0.0003759800000000, -0.0014490600000000 ] - [ -0.0224495100000000, -0.0288888000000000, 0.0355213200000000 ] - [ 0.0005534900000000, 0.0006314700000000, 0.0029928500000000 ] - [ 0.0006774300000000, 0.0005585500000000, -0.0042326800000000 ] - [ -0.0004937900000000, -0.0005832200000000, -0.0020119000000000 ] - [ -0.0249529700000000, 0.0287913500000000, 0.0383369900000000 ] - [ 0.0002729100000000, -0.0000740100000000, 0.0023721100000000 ] - [ -0.0165409200000000, -0.0238502400000000, 0.0356641800000000 ] - [ 0.0008334300000000, -0.0002630900000000, 0.0011674400000000 ] - [ -0.0013909900000000, -0.0000271000000000, 0.0004373700000000 ] - [ 0.0002137500000000, -0.0001262400000000, -0.0008188000000000 ] - [ -0.0207767900000000, 0.0246215200000000, 0.0398967600000000 ] - [ 0.0003017200000000, 0.0002257200000000, 0.0013537600000000 ] - [ 0.0006255900000000, -0.0001631200000000, -0.0017664100000000 ] - [ -0.0006415700000000, -0.0007231200000000, -0.0012637000000000 ] - [ 0.0002162800000000, 0.0000680100000000, 0.0001236100000000 ] - [ -0.0015661500000000, -0.0014764000000000, 0.0001171900000000 ] - [ 0.0023846900000000, -0.0017551800000000, 0.0008465500000000 ] - [ -0.0007503600000000, -0.0004219900000000, 0.0023812000000000 ] - [ 0.0001677500000000, -0.0000363300000000, -0.0015878600000000 ] - [ -0.0002132700000000, -0.0001183100000000, -0.0010390200000000 ]- atom: 17 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0024557100000000, -0.0032895300000000, 0.0111709000000000 ] - [ 0.0100435100000000, -0.0057522700000000, 0.0046439500000000 ] - [ 0.0046123200000000, -0.0067417000000000, -0.0107654700000000 ] - [ -0.0022367900000000, -0.0020061200000000, -0.0004277800000000 ] - [ -0.0005621100000000, 0.0004947600000000, -0.0025142500000000 ] - [ 0.0002222500000000, 0.0004666700000000, -0.0005476300000000 ] - [ 0.0006162600000000, 0.0002803900000000, -0.0046048500000000 ] - [ -0.0005083200000000, 0.0005769100000000, -0.0071330900000000 ] - [ -0.0019292900000000, 0.0029791200000000, 0.0120285700000000 ] - [ 0.0096304600000000, 0.0050903600000000, 0.0050383500000000 ] - [ 0.0001999000000000, 0.0014103900000000, -0.0280283700000000 ] - [ -0.0000088900000000, -0.0003585600000000, -0.0014534700000000 ] - [ 0.0046647600000000, 0.0075015100000000, -0.0099320900000000 ] - [ -0.0023411200000000, 0.0022414900000000, 0.0003557300000000 ] - [ 0.0007200300000000, -0.0004030400000000, -0.0027313700000000 ] - [ -0.0003234500000000, -0.0004176100000000, -0.0029743200000000 ] - [ -0.0751390600000000, -0.0005941500000000, 0.2327790100000000 ] - [ 0.0029435900000000, 0.0002680200000000, 0.0060880500000000 ] - [ -0.0035974800000000, -0.0018913400000000, -0.0042102500000000 ] - [ 0.0020209000000000, -0.0017750300000000, -0.0052523300000000 ] - [ 0.0008648400000000, 0.0000288800000000, -0.0068369300000000 ] - [ -0.0015914300000000, -0.0004476500000000, -0.0045873000000000 ] - [ 0.0035498200000000, -0.0000799800000000, 0.0014265600000000 ] - [ -0.0023041900000000, 0.0000519100000000, 0.0046774300000000 ] - [ -0.0050870700000000, 0.0005740400000000, 0.0123309300000000 ] - [ 0.0027900700000000, 0.0002386200000000, 0.0053479000000000 ] - [ 0.0014297200000000, 0.0000624200000000, -0.0059320400000000 ] - [ -0.0012986400000000, 0.0000283300000000, -0.0038828900000000 ] - [ 0.0048269500000000, 0.0000118300000000, 0.0011288300000000 ] - [ -0.0200828300000000, 0.0007264800000000, -0.0279216500000000 ] - [ -0.0050584900000000, -0.0002965000000000, -0.0045847000000000 ] - [ 0.0046448100000000, -0.0002617100000000, -0.0053988300000000 ] - [ -0.0018120800000000, -0.0000936100000000, 0.0008166800000000 ] - [ 0.0025131900000000, -0.0003301000000000, 0.0092592800000000 ] - [ -0.0018409200000000, -0.0005258200000000, 0.0032003700000000 ] - [ -0.0001500400000000, 0.0000187600000000, 0.0013915900000000 ] - [ -0.0031393000000000, 0.0001184400000000, -0.0022379800000000 ] - [ -0.0133553300000000, -0.0000122400000000, -0.0278997500000000 ] - [ -0.0040970500000000, -0.0001301500000000, -0.0000332100000000 ] - [ 0.0100618300000000, -0.0004320300000000, 0.0064960900000000 ] - [ 0.0005353000000000, -0.0003194200000000, -0.0024069500000000 ] - [ -0.0033357100000000, -0.0000451700000000, -0.0012438600000000 ] - [ 0.0020334400000000, -0.0002927400000000, -0.0000159100000000 ] - [ -0.0041810800000000, -0.0019007700000000, 0.0038130100000000 ] - [ 0.0004215600000000, 0.0000886000000000, 0.0051323400000000 ] - [ 0.0012745100000000, -0.0000108200000000, 0.0034066900000000 ] - [ 0.0014556900000000, -0.0000384100000000, -0.0072503100000000 ] - [ -0.0009075200000000, 0.0001173000000000, -0.0035954700000000 ] - [ 0.0010270100000000, 0.0000214100000000, 0.0035693500000000 ] - [ -0.0010008500000000, 0.0000292600000000, 0.0044820800000000 ] - [ -0.0001556700000000, -0.0001370500000000, 0.0034795700000000 ] - [ 0.0015986800000000, -0.0006533700000000, 0.0028638500000000 ] - [ 0.0047770100000000, -0.0024043300000000, 0.0019762700000000 ] - [ -0.0016945800000000, -0.0001437900000000, 0.0000003400000000 ] - [ 0.0034930000000000, -0.0002944000000000, -0.0043423200000000 ] - [ -0.0007556500000000, -0.0000904500000000, -0.0015328000000000 ] - [ 0.0003490900000000, 0.0000962300000000, 0.0022166800000000 ] - [ -0.0002444100000000, -0.0002607300000000, 0.0018195100000000 ] - [ -0.0009525800000000, -0.0006507700000000, 0.0006026200000000 ] - [ 0.0008337700000000, -0.0022403400000000, 0.0006707400000000 ] - [ 0.0027040600000000, 0.0026962200000000, 0.0023869900000000 ] - [ -0.0011146700000000, 0.0002522000000000, 0.0003478600000000 ] - [ -0.0012119600000000, 0.0001166400000000, 0.0003197700000000 ] - [ 0.0005230500000000, 0.0001052500000000, -0.0004615400000000 ] - [ -0.0015769600000000, -0.0002791000000000, -0.0273862900000000 ] - [ -0.0027861200000000, -0.0000225200000000, -0.0012178100000000 ] - [ 0.0011149300000000, 0.0004281600000000, 0.0026638900000000 ] - [ -0.0008091200000000, -0.0004084100000000, 0.0020297000000000 ] - [ -0.0022257500000000, -0.0012321300000000, -0.0009763000000000 ] - [ 0.0006351200000000, 0.0001766600000000, -0.0026549300000000 ] - [ 0.0013273600000000, 0.0004678900000000, 0.0014337000000000 ] - [ -0.0036592800000000, 0.0015879900000000, 0.0038282300000000 ] - [ -0.0004550700000000, 0.0010305000000000, 0.0026686900000000 ] - [ 0.0008673800000000, 0.0006975500000000, 0.0011043300000000 ] - [ 0.0000390900000000, -0.0001955900000000, 0.0018896800000000 ] - [ 0.0003602200000000, -0.0003488200000000, 0.0009218800000000 ] - [ 0.0217627900000000, 0.0277184000000000, -0.0343858200000000 ] - [ -0.0004009800000000, -0.0003721400000000, -0.0022542600000000 ] - [ -0.0007321200000000, -0.0013614600000000, 0.0037683200000000 ] - [ 0.0004410000000000, -0.0002127600000000, 0.0015302000000000 ] - [ 0.0237439500000000, -0.0262910100000000, -0.0380822500000000 ] - [ -0.0003210300000000, 0.0008705900000000, -0.0028473000000000 ] - [ 0.0185066600000000, 0.0248664700000000, -0.0376509000000000 ] - [ 0.0001306200000000, -0.0005162000000000, -0.0020136200000000 ] - [ 0.0004228700000000, 0.0008049000000000, 0.0004019400000000 ] - [ -0.0011846100000000, 0.0009071800000000, 0.0016598400000000 ] - [ 0.0225765800000000, -0.0258745400000000, -0.0418723600000000 ] - [ 0.0000842100000000, 0.0005014100000000, -0.0018810700000000 ] - [ -0.0004956700000000, -0.0000283700000000, 0.0025305300000000 ] - [ 0.0007662200000000, 0.0005334000000000, 0.0020264600000000 ] - [ -0.0006118300000000, 0.0006547000000000, 0.0004083900000000 ] - [ 0.0011668100000000, 0.0021927400000000, 0.0004160200000000 ] - [ -0.0025434700000000, 0.0020185600000000, -0.0015701200000000 ] - [ 0.0006031800000000, 0.0006822200000000, -0.0031100900000000 ] - [ -0.0000167800000000, -0.0002255500000000, 0.0023211800000000 ] - [ 0.0003627200000000, -0.0001414200000000, 0.0017719600000000 ]- atom: 25 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0150278200000000, -0.0160193100000000, 0.0022505800000000 ] - [ 0.0150565200000000, 0.0156794700000000, -0.0014227700000000 ] - [ -0.0016720000000000, 0.0006247700000000, -0.0031045500000000 ] - [ 0.0018958300000000, -0.0003548700000000, 0.0020728200000000 ] - [ -0.0215004900000000, 0.0003177700000000, -0.0023016900000000 ] - [ 0.0053602300000000, 0.0000953100000000, 0.0004977400000000 ] - [ -0.0001183600000000, 0.0002846800000000, 0.0000986300000000 ] - [ 0.0005455500000000, 0.0001148600000000, -0.0002130800000000 ] - [ 0.0162444500000000, 0.0161164600000000, 0.0006963900000000 ] - [ 0.0154788400000000, -0.0160510600000000, -0.0008377500000000 ] - [ -0.0055352600000000, -0.0006788700000000, -0.0011236700000000 ] - [ 0.0039716600000000, -0.0002055000000000, -0.0000039400000000 ] - [ -0.0018958000000000, -0.0003650600000000, -0.0027863400000000 ] - [ 0.0019628500000000, 0.0006230900000000, 0.0026567200000000 ] - [ -0.0000510100000000, -0.0004685100000000, 0.0002224600000000 ] - [ 0.0003074000000000, -0.0003502800000000, 0.0003156200000000 ] - [ -0.0095579600000000, 0.0001929900000000, 0.0023787100000000 ] - [ 0.0067443500000000, 0.0002538200000000, -0.0013236500000000 ] - [ 0.0001649000000000, -0.0016812300000000, 0.0055575200000000 ] - [ 0.0021269300000000, 0.0024460100000000, -0.0039491300000000 ] - [ -0.0016569700000000, -0.0002489300000000, -0.0022234900000000 ] - [ 0.0018634500000000, -0.0000834800000000, 0.0015720700000000 ] - [ 0.0050541800000000, 0.0000921800000000, -0.0033330500000000 ] - [ -0.0058833400000000, 0.0004290000000000, 0.0197928700000000 ] - [ -0.6861006700000000, -0.0034618500000000, 0.0145855000000000 ] - [ 0.0138359600000000, 0.0002562500000000, 0.0007736000000000 ] - [ -0.0006003400000000, -0.0000932400000000, -0.0016994700000000 ] - [ 0.0008367700000000, -0.0000725900000000, 0.0020889900000000 ] - [ 0.0016385300000000, 0.0000916400000000, -0.0019632400000000 ] - [ -0.0021764200000000, 0.0000456700000000, 0.0018039200000000 ] - [ 0.0032487100000000, -0.0000458100000000, 0.0042013800000000 ] - [ 0.0039273500000000, -0.0000418400000000, -0.0039181000000000 ] - [ -0.0013446700000000, -0.0001099500000000, 0.0006885600000000 ] - [ 0.0020032700000000, -0.0000815700000000, -0.0004156000000000 ] - [ -0.0001003800000000, 0.0000513900000000, 0.0005588800000000 ] - [ -0.0004464500000000, 0.0001092700000000, -0.0007916200000000 ] - [ -0.0017034000000000, 0.0000898700000000, 0.0011480800000000 ] - [ 0.0011368400000000, 0.0002247900000000, -0.0016057800000000 ] - [ -0.0004275500000000, -0.0000564100000000, -0.0003947700000000 ] - [ 0.0006856900000000, -0.0000228500000000, -0.0012910900000000 ] - [ 0.2668107600000000, 0.0039184000000000, 0.1037797300000000 ] - [ -0.0109260700000000, -0.0001310600000000, -0.0013770100000000 ] - [ -0.0016979500000000, -0.0003347000000000, -0.0016560500000000 ] - [ -0.0016844900000000, 0.0026686200000000, 0.0043327800000000 ] - [ 0.0010116700000000, -0.0004886100000000, 0.0021268100000000 ] - [ -0.0001333400000000, -0.0000078500000000, -0.0018220300000000 ] - [ 0.0952440000000000, -0.0005654600000000, -0.0119545900000000 ] - [ -0.0031981600000000, 0.0001529200000000, -0.0005085200000000 ] - [ -0.0014944200000000, 0.0000338300000000, -0.0037229100000000 ] - [ -0.0007627900000000, -0.0003227700000000, 0.0030614000000000 ] - [ 0.0007490900000000, 0.0000641000000000, 0.0017416700000000 ] - [ -0.0009506200000000, -0.0000312000000000, -0.0000661700000000 ] - [ -0.0009615700000000, -0.0031290700000000, -0.0057939400000000 ] - [ -0.0023109000000000, 0.0002605500000000, 0.0004149300000000 ] - [ 0.3015225500000000, -0.0008723300000000, -0.1149438500000000 ] - [ -0.0107516000000000, -0.0000520300000000, 0.0019969800000000 ] - [ 0.0012941700000000, -0.0012322800000000, -0.0004731400000000 ] - [ -0.0010798300000000, -0.0002102400000000, 0.0012769200000000 ] - [ -0.0016937500000000, -0.0001368200000000, 0.0010180600000000 ] - [ 0.0005319100000000, 0.0002774700000000, 0.0011237700000000 ] - [ 0.0024297900000000, 0.0031577800000000, -0.0046954300000000 ] - [ -0.0024054400000000, -0.0004770600000000, 0.0005131500000000 ] - [ 0.0002998800000000, 0.0001467700000000, 0.0009430900000000 ] - [ -0.0001502900000000, 0.0000598000000000, -0.0022418500000000 ] - [ 0.0035408300000000, 0.0000027100000000, 0.0002898800000000 ] - [ -0.0033078500000000, 0.0001724000000000, 0.0004642200000000 ] - [ 0.0003321800000000, 0.0003354200000000, -0.0013615000000000 ] - [ -0.0006359400000000, -0.0004185000000000, 0.0001504500000000 ] - [ -0.0024329700000000, 0.0006345400000000, 0.0039828900000000 ] - [ -0.0001968800000000, -0.0009227800000000, -0.0069984900000000 ] - [ -0.0012619500000000, 0.0006419700000000, -0.0012065100000000 ] - [ 0.0003731100000000, -0.0016618800000000, 0.0017306100000000 ] - [ 0.0007673300000000, 0.0004152200000000, 0.0001158100000000 ] - [ 0.0001908600000000, 0.0003485600000000, -0.0010503900000000 ] - [ 0.0005072600000000, -0.0003745500000000, 0.0003521000000000 ] - [ -0.0001402600000000, -0.0002751300000000, -0.0009340800000000 ] - [ 0.0026243200000000, 0.0024641400000000, 0.0019458000000000 ] - [ -0.0022871000000000, -0.0008625700000000, -0.0007349300000000 ] - [ 0.0008014500000000, -0.0001503300000000, 0.0000633500000000 ] - [ -0.0008073300000000, -0.0006362600000000, -0.0005552300000000 ] - [ 0.0024126300000000, -0.0018761300000000, 0.0012696500000000 ] - [ -0.0023760100000000, 0.0013715700000000, -0.0013745200000000 ] - [ 0.0062911600000000, 0.0030688200000000, -0.0007303900000000 ] - [ -0.0040906200000000, -0.0017795400000000, -0.0002575800000000 ] - [ -0.0030185700000000, 0.0013103800000000, -0.0029664300000000 ] - [ -0.0028944500000000, -0.0016398900000000, 0.0069006200000000 ] - [ 0.0050023600000000, -0.0033156100000000, -0.0007125100000000 ] - [ -0.0042464400000000, 0.0020468200000000, 0.0000903700000000 ] - [ 0.0003110400000000, -0.0001193700000000, 0.0007569400000000 ] - [ -0.0001651200000000, -0.0000499200000000, -0.0000379400000000 ] - [ -0.0014064500000000, 0.0001222200000000, 0.0007837900000000 ] - [ 0.0005903600000000, -0.0002136900000000, 0.0010355100000000 ] - [ -0.0023397300000000, 0.0000497600000000, 0.0031145200000000 ] - [ -0.0000503300000000, 0.0012154500000000, -0.0069719300000000 ] - [ 0.0006197900000000, -0.0004155800000000, 0.0005159600000000 ] - [ -0.0007462900000000, 0.0001168700000000, -0.0000021000000000 ]- atom: 25 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0147469400000000, 0.0169071900000000, -0.0016616300000000 ] - [ -0.0146540400000000, -0.0148053700000000, 0.0020114300000000 ] - [ 0.0013784800000000, 0.0001587100000000, 0.0024659700000000 ] - [ -0.0022465900000000, 0.0011155600000000, -0.0026860700000000 ] - [ 0.0210300500000000, 0.0000316700000000, 0.0025090900000000 ] - [ -0.0058299500000000, 0.0002604100000000, -0.0002448600000000 ] - [ 0.0005930600000000, 0.0000713500000000, -0.0003732700000000 ] - [ -0.0000773800000000, 0.0002413100000000, -0.0000713500000000 ] - [ -0.0158350500000000, -0.0165999300000000, -0.0009966500000000 ] - [ -0.0149414900000000, 0.0155768700000000, 0.0005398000000000 ] - [ 0.0051996000000000, -0.0000829200000000, 0.0005069800000000 ] - [ -0.0043104400000000, -0.0005565800000000, -0.0006266300000000 ] - [ 0.0014743900000000, -0.0000141100000000, 0.0030397700000000 ] - [ -0.0024457800000000, -0.0009775800000000, -0.0023745700000000 ] - [ 0.0003938200000000, -0.0002929900000000, 0.0003957400000000 ] - [ 0.0000224300000000, -0.0004134600000000, 0.0002727000000000 ] - [ 0.0096474400000000, 0.0000660300000000, -0.0030913100000000 ] - [ -0.0066532900000000, 0.0000076000000000, 0.0005954900000000 ] - [ -0.0002612000000000, 0.0014220400000000, -0.0048306900000000 ] - [ -0.0022167100000000, -0.0026993000000000, 0.0046706800000000 ] - [ 0.0017525500000000, -0.0000121100000000, 0.0014641500000000 ] - [ -0.0017820400000000, -0.0001769700000000, -0.0023265300000000 ] - [ -0.0051441200000000, 0.0001664700000000, 0.0041159000000000 ] - [ 0.0055361500000000, -0.0001713100000000, -0.0189728100000000 ] - [ 0.6846151100000000, 0.0043634300000000, 0.0132601600000000 ] - [ -0.0136413200000000, -0.0000973400000000, -0.0002184700000000 ] - [ 0.0008074200000000, -0.0000639200000000, 0.0022002500000000 ] - [ -0.0006504000000000, -0.0000844200000000, -0.0015840600000000 ] - [ -0.0018232200000000, 0.0000657600000000, 0.0014631300000000 ] - [ 0.0019630200000000, 0.0001117500000000, -0.0023229500000000 ] - [ -0.0034527600000000, -0.0001116500000000, -0.0047326300000000 ] - [ -0.0041177400000000, -0.0001157500000000, 0.0033839300000000 ] - [ 0.0017979200000000, -0.0000664700000000, -0.0004340500000000 ] - [ -0.0015399000000000, -0.0000944000000000, 0.0006730000000000 ] - [ -0.0003646900000000, 0.0001276800000000, -0.0008044900000000 ] - [ -0.0000057100000000, 0.0000665900000000, 0.0005359200000000 ] - [ 0.0008775100000000, 0.0002479900000000, -0.0012315100000000 ] - [ -0.0019517800000000, 0.0001129000000000, 0.0015348300000000 ] - [ 0.0006701500000000, 0.0000021400000000, -0.0012567400000000 ] - [ -0.0004180600000000, -0.0000319500000000, -0.0003518800000000 ] - [ -0.2854154300000000, -0.0045574700000000, -0.1145626500000000 ] - [ 0.0106524500000000, 0.0000767800000000, 0.0030197400000000 ] - [ 0.0021545800000000, 0.0005118200000000, 0.0019218500000000 ] - [ 0.0021317300000000, -0.0024865400000000, -0.0040639000000000 ] - [ -0.0001904100000000, 0.0001500600000000, -0.0020418900000000 ] - [ 0.0009588800000000, -0.0003302300000000, 0.0019033700000000 ] - [ -0.0942722400000000, 0.0008535600000000, 0.0099458900000000 ] - [ 0.0040193300000000, 0.0001849400000000, 0.0005624400000000 ] - [ 0.0006757900000000, -0.0003705300000000, 0.0036627500000000 ] - [ -0.0000581000000000, -0.0000145900000000, -0.0031185700000000 ] - [ -0.0010101300000000, -0.0000096300000000, -0.0000906800000000 ] - [ 0.0007049200000000, 0.0000875300000000, 0.0017189400000000 ] - [ 0.0012267900000000, 0.0031905600000000, 0.0041596500000000 ] - [ 0.0025682400000000, -0.0002042800000000, -0.0020523100000000 ] - [ -0.2820829100000000, 0.0006001500000000, 0.1019835300000000 ] - [ 0.0103164900000000, -0.0001241000000000, -0.0022589900000000 ] - [ -0.0012411200000000, 0.0004307400000000, 0.0009582100000000 ] - [ 0.0011306800000000, -0.0005895100000000, -0.0007899400000000 ] - [ 0.0007245600000000, -0.0006415100000000, -0.0001795000000000 ] - [ -0.0014722700000000, -0.0010081300000000, -0.0001997000000000 ] - [ -0.0025603800000000, -0.0033562000000000, 0.0039340600000000 ] - [ 0.0022743400000000, 0.0002845700000000, -0.0012739100000000 ] - [ -0.0004467200000000, 0.0000425000000000, -0.0017161600000000 ] - [ 0.0000401500000000, 0.0001297300000000, 0.0014708500000000 ] - [ -0.0034205500000000, 0.0001877200000000, 0.0004671800000000 ] - [ 0.0034368500000000, 0.0000185800000000, 0.0003016900000000 ] - [ -0.0004823700000000, -0.0005926400000000, 0.0006295300000000 ] - [ 0.0004867900000000, 0.0001623200000000, -0.0008805400000000 ] - [ 0.0024889800000000, 0.0001508400000000, -0.0035365200000000 ] - [ 0.0002975000000000, 0.0017157400000000, 0.0074141200000000 ] - [ 0.0008688700000000, -0.0013668500000000, 0.0017393500000000 ] - [ -0.0007641000000000, 0.0009367900000000, -0.0011993100000000 ] - [ 0.0002016700000000, 0.0003615100000000, -0.0009555400000000 ] - [ 0.0007815600000000, 0.0004285900000000, 0.0002064500000000 ] - [ -0.0001169500000000, -0.0003513500000000, -0.0008670400000000 ] - [ 0.0005386500000000, -0.0004484000000000, 0.0004105100000000 ] - [ -0.0024963200000000, -0.0021917500000000, -0.0012220300000000 ] - [ 0.0024362900000000, 0.0011150100000000, 0.0014652300000000 ] - [ -0.0008521600000000, -0.0006464300000000, -0.0005370400000000 ] - [ 0.0007579500000000, -0.0001612900000000, 0.0000830300000000 ] - [ -0.0024824600000000, 0.0026642100000000, -0.0017591400000000 ] - [ 0.0023254800000000, -0.0005688600000000, 0.0008907400000000 ] - [ -0.0053027000000000, -0.0038477200000000, -0.0001291100000000 ] - [ 0.0050664000000000, 0.0010091500000000, -0.0005901000000000 ] - [ 0.0020408000000000, -0.0005300300000000, 0.0038113900000000 ] - [ 0.0019190300000000, 0.0024153600000000, -0.0060576200000000 ] - [ -0.0045918300000000, 0.0040399100000000, 0.0001728500000000 ] - [ 0.0046454600000000, -0.0013310500000000, -0.0006199700000000 ] - [ -0.0001842000000000, -0.0000696800000000, 0.0000149800000000 ] - [ 0.0003021500000000, -0.0001415600000000, 0.0008129400000000 ] - [ 0.0010119000000000, 0.0006025300000000, -0.0002649300000000 ] - [ -0.0009632600000000, 0.0008909800000000, -0.0004247600000000 ] - [ 0.0021922100000000, 0.0002175800000000, -0.0038774100000000 ] - [ -0.0000447300000000, -0.0009611300000000, 0.0061860400000000 ] - [ -0.0004725900000000, 0.0001609400000000, 0.0002301500000000 ] - [ 0.0008979300000000, -0.0003741800000000, 0.0007460200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037095300000000, 0.0014488500000000, -0.0016575800000000 ] - [ 0.0034157500000000, 0.0007053300000000, -0.0012972000000000 ] - [ -0.0005405400000000, -0.0001236300000000, -0.0007366700000000 ] - [ -0.0001123100000000, 0.0003727900000000, -0.0003693300000000 ] - [ -0.0005214100000000, -0.0013284900000000, 0.0011009900000000 ] - [ -0.0001539000000000, 0.0002938500000000, 0.0001765400000000 ] - [ 0.0002290400000000, 0.0001747200000000, -0.0000748700000000 ] - [ 0.0002421500000000, 0.0000873700000000, -0.0000632900000000 ] - [ 0.0046419800000000, 0.0019605600000000, 0.0013137100000000 ] - [ -0.0033090900000000, 0.0004154500000000, 0.0010683100000000 ] - [ -0.0001879500000000, 0.0004214400000000, -0.0000813800000000 ] - [ -0.0001246400000000, -0.0004743800000000, -0.0002820100000000 ] - [ -0.0001815900000000, -0.0003813300000000, 0.0008468200000000 ] - [ -0.0000932400000000, -0.0000764500000000, 0.0003126600000000 ] - [ 0.0001567700000000, -0.0003819800000000, 0.0004020100000000 ] - [ 0.0002026100000000, -0.0001165800000000, 0.0005232900000000 ] - [ 0.0001743800000000, 0.0057605100000000, -0.0008230000000000 ] - [ 0.0001141700000000, -0.0000949000000000, -0.0005171400000000 ] - [ -0.0002450200000000, -0.0003185700000000, 0.0005408900000000 ] - [ -0.0000762800000000, -0.0003978200000000, 0.0005516400000000 ] - [ -0.0000395000000000, -0.0001326200000000, -0.0002470600000000 ] - [ 0.0001182300000000, -0.0001309400000000, -0.0002388200000000 ] - [ -0.0001379800000000, -0.0001563000000000, 0.0002710900000000 ] - [ 0.0009615900000000, 0.0012477400000000, 0.0013147200000000 ] - [ -0.0037456500000000, -0.2379617700000000, -0.0136236700000000 ] - [ 0.0002763800000000, 0.0000778000000000, 0.0000192000000000 ] - [ 0.0001123600000000, -0.0000713200000000, 0.0004063300000000 ] - [ 0.0000921400000000, -0.0000757800000000, 0.0004098200000000 ] - [ -0.0001127500000000, 0.0001126200000000, -0.0003252600000000 ] - [ -0.0000616800000000, 0.0000500400000000, -0.0003142800000000 ] - [ -0.0000688200000000, -0.0000107600000000, -0.0002580100000000 ] - [ -0.0000575700000000, -0.0000109800000000, -0.0002926100000000 ] - [ 0.0002121300000000, -0.0000949800000000, 0.0001367900000000 ] - [ 0.0001978400000000, -0.0001142000000000, 0.0001440400000000 ] - [ -0.0002446900000000, 0.0000902100000000, -0.0001810100000000 ] - [ -0.0002041500000000, 0.0000884600000000, -0.0002013600000000 ] - [ -0.0004076000000000, 0.0001537500000000, 0.0000241700000000 ] - [ -0.0003993500000000, -0.0005359300000000, 0.0000656800000000 ] - [ 0.0001664900000000, -0.0000662000000000, -0.0008086600000000 ] - [ 0.0001351100000000, 0.0000296400000000, -0.0008121800000000 ] - [ 0.0057742600000000, 0.0802051200000000, 0.0046891200000000 ] - [ -0.0002041400000000, -0.0000467800000000, 0.0008682700000000 ] - [ 0.0001730700000000, 0.0000786800000000, 0.0001199400000000 ] - [ 0.0003459600000000, 0.0004721600000000, 0.0002484900000000 ] - [ 0.0003896300000000, -0.0001341000000000, -0.0000815900000000 ] - [ 0.0003999800000000, -0.0001481000000000, -0.0001000800000000 ] - [ -0.0000804400000000, 0.0710831500000000, 0.0080732100000000 ] - [ 0.0003839300000000, 0.0002178400000000, 0.0001852700000000 ] - [ -0.0004383000000000, -0.0002142700000000, -0.0000966800000000 ] - [ -0.0004049100000000, -0.0002227200000000, -0.0000556100000000 ] - [ -0.0001475000000000, 0.0000215600000000, 0.0007418000000000 ] - [ -0.0001427500000000, 0.0000207900000000, 0.0007717500000000 ] - [ -0.0001075600000000, 0.0004226800000000, -0.0006830400000000 ] - [ 0.0001210000000000, 0.0000273200000000, -0.0008094600000000 ] - [ -0.0025035400000000, 0.0809469100000000, 0.0018807600000000 ] - [ -0.0004522700000000, -0.0001355100000000, -0.0000046600000000 ] - [ 0.0000517100000000, -0.0003646200000000, 0.0002034800000000 ] - [ 0.0000834000000000, -0.0004175000000000, 0.0001187900000000 ] - [ -0.0004623100000000, -0.0003758500000000, 0.0003983200000000 ] - [ 0.0002496600000000, 0.0003250900000000, 0.0023351000000000 ] - [ 0.0004106300000000, 0.0004298600000000, -0.0003918100000000 ] - [ -0.0000563000000000, -0.0000572600000000, -0.0004049900000000 ] - [ 0.0000182500000000, 0.0001284100000000, -0.0004048300000000 ] - [ -0.0001572000000000, 0.0000977000000000, -0.0004651300000000 ] - [ 0.0000270600000000, -0.0005382600000000, 0.0004444000000000 ] - [ 0.0000360400000000, 0.0005626600000000, 0.0004378500000000 ] - [ -0.0000812700000000, -0.0001415200000000, -0.0004026900000000 ] - [ -0.0000828500000000, -0.0001040200000000, -0.0003978000000000 ] - [ 0.0003076900000000, 0.0005403600000000, 0.0002599900000000 ] - [ 0.0000507800000000, 0.0007322200000000, -0.0000917200000000 ] - [ -0.0001697800000000, -0.0003225300000000, 0.0001918000000000 ] - [ -0.0003051700000000, -0.0003017100000000, 0.0003579800000000 ] - [ 0.0005048100000000, 0.0004035100000000, -0.0004558600000000 ] - [ 0.0004647700000000, 0.0003961800000000, -0.0004486400000000 ] - [ 0.0002802200000000, -0.0003489900000000, -0.0003643600000000 ] - [ 0.0001753800000000, -0.0003641000000000, -0.0002931000000000 ] - [ 0.0005970500000000, -0.0011661900000000, -0.0002083300000000 ] - [ 0.0000506400000000, 0.0001233600000000, 0.0005421300000000 ] - [ -0.0000117800000000, -0.0003928900000000, -0.0002700600000000 ] - [ -0.0000367000000000, -0.0003860500000000, -0.0002851800000000 ] - [ -0.0004872000000000, -0.0007157500000000, 0.0004783700000000 ] - [ -0.0000902600000000, 0.0004421600000000, -0.0003355300000000 ] - [ 0.0011611500000000, -0.0027692000000000, -0.0009434500000000 ] - [ 0.0006576300000000, -0.0003349400000000, -0.0003690900000000 ] - [ -0.0006959700000000, 0.0004859600000000, 0.0000956700000000 ] - [ -0.0000623300000000, 0.0005495900000000, -0.0003908500000000 ] - [ -0.0002603400000000, -0.0020526200000000, 0.0002638700000000 ] - [ -0.0001401300000000, 0.0005262200000000, -0.0002184000000000 ] - [ 0.0000797200000000, -0.0000941600000000, 0.0003577800000000 ] - [ -0.0000247200000000, -0.0000552200000000, 0.0002757000000000 ] - [ -0.0002184400000000, 0.0003740800000000, 0.0002964700000000 ] - [ -0.0008648900000000, 0.0013165300000000, -0.0024721100000000 ] - [ -0.0002356700000000, 0.0002580200000000, -0.0001998800000000 ] - [ -0.0007590200000000, 0.0008985500000000, 0.0000232300000000 ] - [ 0.0001091800000000, -0.0001674600000000, 0.0002542000000000 ] - [ 0.0000662600000000, -0.0001496000000000, 0.0003078200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039843600000000, -0.0007171600000000, 0.0022628600000000 ] - [ -0.0030177400000000, 0.0000221300000000, 0.0019092800000000 ] - [ 0.0001990600000000, 0.0009067200000000, 0.0001273300000000 ] - [ -0.0002248300000000, 0.0003960500000000, -0.0002515600000000 ] - [ 0.0000478900000000, 0.0016979700000000, -0.0007852300000000 ] - [ -0.0003145100000000, 0.0000655900000000, 0.0000993900000000 ] - [ 0.0002413700000000, 0.0001811400000000, -0.0001955600000000 ] - [ 0.0002294600000000, 0.0002682200000000, -0.0002019700000000 ] - [ -0.0042390000000000, -0.0022856300000000, -0.0015970000000000 ] - [ 0.0038473300000000, -0.0007359400000000, -0.0013450400000000 ] - [ -0.0001564400000000, -0.0011835000000000, -0.0005842700000000 ] - [ -0.0002131600000000, -0.0002876000000000, -0.0003428400000000 ] - [ -0.0002944600000000, 0.0000027800000000, -0.0005599700000000 ] - [ -0.0003758100000000, -0.0002872400000000, -0.0000409500000000 ] - [ 0.0001832900000000, -0.0003800400000000, 0.0002220100000000 ] - [ 0.0001347900000000, -0.0006459600000000, 0.0000958400000000 ] - [ -0.0001136900000000, -0.0055110700000000, 0.0001255300000000 ] - [ -0.0000218000000000, 0.0003552600000000, -0.0002230900000000 ] - [ 0.0001479200000000, 0.0000413600000000, 0.0001995700000000 ] - [ -0.0000138500000000, 0.0001211400000000, 0.0001903500000000 ] - [ 0.0001279000000000, -0.0001197100000000, -0.0004936100000000 ] - [ -0.0000289400000000, -0.0001267200000000, -0.0005014200000000 ] - [ 0.0000539900000000, 0.0004171600000000, 0.0004633700000000 ] - [ -0.0010593900000000, -0.0009937900000000, -0.0005799700000000 ] - [ 0.0040406400000000, 0.2381046800000000, 0.0142132900000000 ] - [ -0.0000775300000000, 0.0000795700000000, 0.0004861900000000 ] - [ 0.0000832400000000, -0.0000862800000000, 0.0001139400000000 ] - [ 0.0001042300000000, -0.0000817900000000, 0.0001105500000000 ] - [ -0.0000868800000000, 0.0000450700000000, -0.0001892200000000 ] - [ -0.0001278100000000, 0.0001071300000000, -0.0001635600000000 ] - [ -0.0001344300000000, -0.0001454700000000, -0.0002578300000000 ] - [ -0.0001314600000000, -0.0001457800000000, -0.0002248400000000 ] - [ 0.0002460700000000, -0.0000812600000000, 0.0001186100000000 ] - [ 0.0002623500000000, -0.0000620400000000, 0.0000985200000000 ] - [ -0.0002109200000000, 0.0000878700000000, -0.0000776400000000 ] - [ -0.0002512600000000, 0.0000889100000000, -0.0000570000000000 ] - [ -0.0004118700000000, 0.0001840400000000, -0.0000958500000000 ] - [ -0.0004330200000000, 0.0008748500000000, -0.0001718300000000 ] - [ 0.0000916900000000, 0.0000114400000000, -0.0008400700000000 ] - [ 0.0001080500000000, -0.0000837700000000, -0.0008475300000000 ] - [ -0.0047670400000000, -0.0801303100000000, -0.0022781200000000 ] - [ -0.0000469400000000, -0.0000091500000000, 0.0007810800000000 ] - [ 0.0002854900000000, 0.0000948600000000, 0.0001373800000000 ] - [ 0.0001017800000000, -0.0003099400000000, 0.0000146800000000 ] - [ 0.0004321300000000, -0.0002007700000000, 0.0001496400000000 ] - [ 0.0004217400000000, -0.0001877400000000, 0.0001677700000000 ] - [ 0.0009112600000000, -0.0709096400000000, -0.0096673300000000 ] - [ 0.0004381300000000, 0.0001202500000000, -0.0001070900000000 ] - [ -0.0003815300000000, -0.0001238200000000, 0.0000289100000000 ] - [ -0.0004185500000000, -0.0001155600000000, -0.0000115200000000 ] - [ -0.0001086000000000, 0.0000345700000000, 0.0009027200000000 ] - [ -0.0001141000000000, 0.0000356900000000, 0.0008729900000000 ] - [ 0.0003714400000000, -0.0003832500000000, -0.0009584900000000 ] - [ 0.0001310400000000, 0.0000244000000000, -0.0008364800000000 ] - [ 0.0006736700000000, -0.0810957700000000, -0.0013687100000000 ] - [ -0.0000105700000000, -0.0000412700000000, -0.0002483400000000 ] - [ -0.0000039100000000, -0.0004293500000000, 0.0002707800000000 ] - [ -0.0000316200000000, -0.0003813300000000, 0.0003571900000000 ] - [ -0.0005091500000000, -0.0003994800000000, 0.0004489400000000 ] - [ -0.0012161100000000, -0.0010699800000000, -0.0014694600000000 ] - [ -0.0005347200000000, -0.0006049000000000, -0.0003680900000000 ] - [ -0.0000745800000000, -0.0001280200000000, -0.0003624200000000 ] - [ -0.0001531800000000, 0.0000609900000000, -0.0003603800000000 ] - [ 0.0000309200000000, 0.0000915300000000, -0.0003013700000000 ] - [ 0.0001280100000000, 0.0007298000000000, 0.0003342300000000 ] - [ 0.0000906000000000, -0.0003723600000000, 0.0003303300000000 ] - [ -0.0000656800000000, -0.0001118800000000, -0.0003300500000000 ] - [ -0.0000676100000000, -0.0001508300000000, -0.0003379800000000 ] - [ -0.0002587100000000, 0.0002667000000000, 0.0002199700000000 ] - [ 0.0000147200000000, 0.0000944500000000, 0.0005713200000000 ] - [ -0.0002220400000000, -0.0003967800000000, 0.0003372800000000 ] - [ -0.0000966600000000, -0.0004132800000000, 0.0001766800000000 ] - [ 0.0004659600000000, 0.0003724600000000, -0.0003910200000000 ] - [ 0.0005054100000000, 0.0003801700000000, -0.0003981400000000 ] - [ 0.0001152700000000, -0.0003761200000000, -0.0001613400000000 ] - [ 0.0002201400000000, -0.0003602700000000, -0.0002330000000000 ] - [ -0.0004319900000000, 0.0014165400000000, 0.0009295800000000 ] - [ 0.0000983500000000, 0.0001352500000000, 0.0001928400000000 ] - [ -0.0000399500000000, -0.0004071300000000, -0.0002034200000000 ] - [ -0.0000143000000000, -0.0004118400000000, -0.0001926700000000 ] - [ 0.0004527300000000, 0.0015172600000000, -0.0009725400000000 ] - [ 0.0000384900000000, 0.0003557000000000, -0.0001436000000000 ] - [ -0.0002029700000000, 0.0020257800000000, 0.0001097000000000 ] - [ 0.0003150400000000, -0.0004430500000000, -0.0004754400000000 ] - [ -0.0002821400000000, 0.0003020700000000, 0.0007386300000000 ] - [ -0.0008980100000000, 0.0002467700000000, 0.0012168400000000 ] - [ 0.0006410900000000, 0.0027625200000000, -0.0007818600000000 ] - [ 0.0005348200000000, 0.0001977100000000, -0.0003081100000000 ] - [ 0.0000512400000000, -0.0000972700000000, 0.0004097800000000 ] - [ 0.0001560400000000, -0.0001360000000000, 0.0004925900000000 ] - [ -0.0001787500000000, 0.0003476600000000, 0.0002307200000000 ] - [ 0.0004728700000000, -0.0006291800000000, 0.0030270800000000 ] - [ 0.0000848600000000, -0.0000100200000000, -0.0005351000000000 ] - [ 0.0006242900000000, -0.0006705900000000, -0.0007574400000000 ] - [ 0.0000432100000000, -0.0000954600000000, 0.0004737500000000 ] - [ 0.0000838700000000, -0.0001091600000000, 0.0004272900000000 ]- atom: 25 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0010091100000000, -0.0025011900000000, -0.0076868700000000 ] - [ -0.0083948400000000, -0.0100936700000000, -0.0063296900000000 ] - [ -0.0062595100000000, -0.0059106600000000, 0.0059777300000000 ] - [ 0.0027717400000000, -0.0011627700000000, 0.0004136200000000 ] - [ 0.0036347600000000, 0.0022111400000000, 0.0275044400000000 ] - [ -0.0011969300000000, 0.0001140400000000, 0.0018689200000000 ] - [ 0.0000304000000000, 0.0002150600000000, 0.0026354200000000 ] - [ 0.0004566700000000, 0.0002428000000000, 0.0036676200000000 ] - [ 0.0004106000000000, 0.0020879600000000, -0.0084376400000000 ] - [ -0.0081061500000000, 0.0100823700000000, -0.0079415800000000 ] - [ 0.0006386100000000, -0.0001631500000000, 0.0012291400000000 ] - [ -0.0009221400000000, -0.0001319300000000, 0.0007908200000000 ] - [ -0.0067655000000000, 0.0066668000000000, 0.0069907100000000 ] - [ 0.0028476500000000, 0.0013388100000000, 0.0006523500000000 ] - [ -0.0002835100000000, -0.0003690500000000, 0.0042910600000000 ] - [ 0.0010644300000000, -0.0000340000000000, 0.0079796800000000 ] - [ 0.0047137000000000, 0.0009285300000000, -0.0126045900000000 ] - [ -0.0017600700000000, 0.0002688100000000, -0.0052390700000000 ] - [ 0.0031991000000000, -0.0012636800000000, 0.0042538400000000 ] - [ -0.0019212000000000, -0.0022792100000000, 0.0062957600000000 ] - [ -0.0007489300000000, 0.0002870400000000, 0.0059683400000000 ] - [ 0.0016354400000000, -0.0002993500000000, 0.0038319800000000 ] - [ -0.0065284500000000, 0.0000444000000000, -0.0014575900000000 ] - [ 0.0433634700000000, 0.0003541400000000, 0.0345749600000000 ] - [ 0.1757271600000000, -0.0127524500000000, -0.7170544100000000 ] - [ -0.0030252700000000, -0.0001935700000000, -0.0080593900000000 ] - [ -0.0016047600000000, -0.0002161700000000, 0.0064154300000000 ] - [ 0.0016720000000000, -0.0002248900000000, 0.0043179800000000 ] - [ -0.0022065600000000, 0.0001413400000000, -0.0026907900000000 ] - [ 0.0024400800000000, 0.0001603200000000, -0.0015682400000000 ] - [ 0.0033210000000000, -0.0000860500000000, 0.0035145800000000 ] - [ -0.0046694600000000, -0.0001197800000000, 0.0053798000000000 ] - [ 0.0006205300000000, -0.0001003800000000, 0.0003324400000000 ] - [ -0.0015502300000000, -0.0001854900000000, 0.0003771700000000 ] - [ 0.0018952700000000, -0.0004285100000000, -0.0035956500000000 ] - [ -0.0005108100000000, 0.0001135200000000, -0.0016174600000000 ] - [ 0.0006137000000000, 0.0001159000000000, 0.0022285500000000 ] - [ -0.0010987900000000, 0.0000948900000000, 0.0024665300000000 ] - [ 0.0025786300000000, -0.0001585800000000, -0.0003010500000000 ] - [ -0.0008726500000000, -0.0000764000000000, -0.0009875200000000 ] - [ 0.0363971200000000, 0.0020525900000000, 0.1248736000000000 ] - [ 0.0048939500000000, 0.0000612000000000, 0.0039237800000000 ] - [ -0.0009475600000000, 0.0000231500000000, -0.0002928300000000 ] - [ 0.0043034600000000, -0.0024478600000000, -0.0035787600000000 ] - [ 0.0004544400000000, 0.0003639300000000, -0.0051427300000000 ] - [ -0.0004368900000000, 0.0000495900000000, -0.0032278800000000 ] - [ -0.0339761000000000, 0.0091307600000000, 0.3768551700000000 ] - [ 0.0017970700000000, 0.0003361800000000, 0.0056194800000000 ] - [ -0.0015248400000000, -0.0002281800000000, -0.0032363400000000 ] - [ 0.0000889900000000, -0.0001215400000000, -0.0048290500000000 ] - [ 0.0000049000000000, -0.0000311900000000, -0.0015997000000000 ] - [ -0.0020381900000000, -0.0003601300000000, -0.0013176800000000 ] - [ -0.0035811500000000, -0.0016680300000000, -0.0026677200000000 ] - [ 0.0018242600000000, -0.0001905700000000, -0.0019595100000000 ] - [ -0.1822312900000000, 0.0013424700000000, 0.1775518700000000 ] - [ -0.0002483600000000, -0.0000037600000000, 0.0020846900000000 ] - [ -0.0013981400000000, 0.0003841400000000, -0.0025181000000000 ] - [ 0.0007883100000000, -0.0006298700000000, -0.0023075600000000 ] - [ 0.0002655100000000, -0.0004621800000000, 0.0002674400000000 ] - [ -0.0026143500000000, -0.0054680800000000, -0.0099986800000000 ] - [ -0.0026219600000000, 0.0021136300000000, -0.0023407900000000 ] - [ 0.0010332500000000, 0.0003081300000000, -0.0012890300000000 ] - [ 0.0028712800000000, 0.0000926900000000, -0.0020011300000000 ] - [ -0.0034892800000000, 0.0000152200000000, -0.0023818100000000 ] - [ -0.0000452800000000, -0.0000921400000000, 0.0031361000000000 ] - [ 0.0017441800000000, -0.0000456300000000, 0.0013433400000000 ] - [ -0.0003908500000000, 0.0003055300000000, -0.0021134400000000 ] - [ 0.0002175400000000, 0.0000454200000000, -0.0020580600000000 ] - [ 0.0038403000000000, -0.0001273400000000, 0.0022977900000000 ] - [ -0.0128067400000000, -0.0059011800000000, 0.0061738000000000 ] - [ -0.0007694900000000, -0.0000822000000000, -0.0001762200000000 ] - [ 0.0001755700000000, 0.0003363700000000, -0.0010313300000000 ] - [ 0.0008192100000000, 0.0003953400000000, -0.0024657200000000 ] - [ 0.0001507700000000, 0.0004123000000000, -0.0016340800000000 ] - [ 0.0013656300000000, 0.0002548500000000, -0.0032592600000000 ] - [ -0.0001822700000000, -0.0002030800000000, -0.0016350000000000 ] - [ 0.0010560100000000, -0.0044402200000000, 0.0042936300000000 ] - [ 0.0002039300000000, -0.0000719800000000, 0.0031271900000000 ] - [ -0.0000457700000000, -0.0005993400000000, -0.0020770900000000 ] - [ -0.0002139500000000, -0.0003617800000000, -0.0017886500000000 ] - [ 0.0008546600000000, 0.0041988300000000, 0.0035412600000000 ] - [ 0.0001110200000000, 0.0005593800000000, 0.0026125500000000 ] - [ -0.0015493700000000, -0.0043363000000000, 0.0036624000000000 ] - [ 0.0003579800000000, -0.0007490200000000, 0.0006994000000000 ] - [ -0.0012703700000000, 0.0005694000000000, -0.0001347500000000 ] - [ 0.0026068200000000, 0.0022192200000000, -0.0032387900000000 ] - [ -0.0017965200000000, 0.0033704800000000, 0.0035163000000000 ] - [ 0.0000155600000000, 0.0006931100000000, 0.0008910600000000 ] - [ 0.0005036500000000, -0.0000753300000000, -0.0015017800000000 ] - [ -0.0009429900000000, 0.0004195100000000, -0.0015389800000000 ] - [ 0.0004139800000000, 0.0003728500000000, 0.0002132300000000 ] - [ -0.0015437000000000, 0.0050508800000000, -0.0105900300000000 ] - [ 0.0033433500000000, 0.0007195200000000, 0.0016110700000000 ] - [ -0.0125820500000000, 0.0069463100000000, 0.0043299600000000 ] - [ 0.0008274200000000, -0.0011144300000000, -0.0036194600000000 ] - [ -0.0003009600000000, -0.0000485700000000, -0.0014605100000000 ]- atom: 25 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0006000000000000, 0.0032017900000000, 0.0082940000000000 ] - [ 0.0087527000000000, 0.0108808600000000, 0.0069490100000000 ] - [ 0.0058983700000000, 0.0066357300000000, -0.0065864300000000 ] - [ -0.0030925800000000, 0.0019113400000000, -0.0010299600000000 ] - [ -0.0041813500000000, -0.0018801600000000, -0.0274857900000000 ] - [ 0.0007447900000000, 0.0002428900000000, -0.0015807200000000 ] - [ 0.0004369200000000, 0.0001420600000000, -0.0028999400000000 ] - [ 0.0000177400000000, 0.0001138100000000, -0.0039295200000000 ] - [ 0.0001330800000000, -0.0023897400000000, 0.0081410100000000 ] - [ 0.0085927900000000, -0.0104636100000000, 0.0076665800000000 ] - [ -0.0009900900000000, -0.0005999900000000, -0.0018301800000000 ] - [ 0.0005944500000000, -0.0006301000000000, -0.0013983300000000 ] - [ 0.0062740300000000, -0.0069856800000000, -0.0067051100000000 ] - [ -0.0033002800000000, -0.0016818800000000, -0.0003754100000000 ] - [ 0.0006151600000000, -0.0003918000000000, -0.0036645100000000 ] - [ -0.0007204000000000, -0.0007253400000000, -0.0073343300000000 ] - [ -0.0046305100000000, -0.0006645300000000, 0.0118169200000000 ] - [ 0.0018597900000000, -0.0000063300000000, 0.0044661300000000 ] - [ -0.0033011500000000, 0.0010030900000000, -0.0034769400000000 ] - [ 0.0018484600000000, 0.0020384400000000, -0.0055486700000000 ] - [ 0.0008381500000000, -0.0005602500000000, -0.0067054700000000 ] - [ -0.0015392800000000, 0.0000364200000000, -0.0045555300000000 ] - [ 0.0064129000000000, 0.0002152100000000, 0.0021792900000000 ] - [ -0.0431352600000000, -0.0000793700000000, -0.0333041000000000 ] - [ -0.1882397500000000, 0.0120786700000000, 0.6919220699999999 ] - [ 0.0032518900000000, 0.0003504300000000, 0.0085282600000000 ] - [ 0.0017959200000000, 0.0000582400000000, -0.0058968500000000 ] - [ -0.0014734400000000, 0.0000670400000000, -0.0037851200000000 ] - [ 0.0020085700000000, 0.0000168800000000, 0.0021517200000000 ] - [ -0.0026349600000000, -0.0000025200000000, 0.0010352000000000 ] - [ -0.0035226300000000, -0.0000686900000000, -0.0040014000000000 ] - [ 0.0045044700000000, -0.0000350100000000, -0.0058858300000000 ] - [ -0.0001737000000000, -0.0000760900000000, -0.0000662100000000 ] - [ 0.0019974700000000, 0.0000094800000000, -0.0001112100000000 ] - [ -0.0023435500000000, 0.0006022600000000, 0.0033314800000000 ] - [ 0.0000608900000000, 0.0000613800000000, 0.0013523800000000 ] - [ -0.0014380200000000, 0.0002210400000000, -0.0022779700000000 ] - [ 0.0002797000000000, 0.0002425100000000, -0.0025174600000000 ] - [ -0.0023078900000000, 0.0001030500000000, -0.0013344400000000 ] - [ 0.0011386100000000, 0.0000208200000000, -0.0006508400000000 ] - [ -0.0376754100000000, -0.0021481500000000, -0.1230300400000000 ] - [ -0.0051633000000000, -0.0001161400000000, -0.0022740300000000 ] - [ 0.0014017800000000, 0.0001496500000000, 0.0005343700000000 ] - [ -0.0038752600000000, 0.0026438000000000, 0.0038433200000000 ] - [ 0.0003695600000000, -0.0007049500000000, 0.0052110700000000 ] - [ 0.0012600000000000, -0.0003872000000000, 0.0032812800000000 ] - [ 0.0344381300000000, -0.0078169600000000, -0.3454505800000000 ] - [ -0.0009755100000000, 0.0000026500000000, -0.0055174000000000 ] - [ 0.0006989600000000, -0.0001084100000000, 0.0031435000000000 ] - [ -0.0009196100000000, -0.0002156000000000, 0.0047514800000000 ] - [ -0.0002644100000000, 0.0000844500000000, 0.0032411500000000 ] - [ 0.0017696300000000, 0.0004133200000000, 0.0029530900000000 ] - [ 0.0038550500000000, 0.0017248900000000, 0.0010026900000000 ] - [ -0.0015787900000000, 0.0002450500000000, 0.0003054300000000 ] - [ 0.1956042600000000, -0.0016097200000000, -0.1840098100000000 ] - [ -0.0002428300000000, -0.0001716800000000, -0.0023227500000000 ] - [ 0.0014641500000000, -0.0011900100000000, 0.0029958000000000 ] - [ -0.0007430800000000, -0.0001662100000000, 0.0027822300000000 ] - [ -0.0012321400000000, -0.0003154900000000, 0.0005839600000000 ] - [ 0.0016521000000000, 0.0047060700000000, 0.0108562800000000 ] - [ 0.0025158000000000, -0.0023071700000000, 0.0015591800000000 ] - [ -0.0011675300000000, -0.0004998100000000, 0.0005220100000000 ] - [ -0.0029820800000000, 0.0000947400000000, 0.0012384400000000 ] - [ 0.0033521100000000, 0.0001718300000000, 0.0016095200000000 ] - [ 0.0001809000000000, 0.0002795100000000, -0.0023737100000000 ] - [ -0.0016173600000000, 0.0002336500000000, -0.0005839900000000 ] - [ 0.0002422800000000, -0.0005664800000000, 0.0013707900000000 ] - [ -0.0003706600000000, -0.0003067800000000, 0.0013177400000000 ] - [ -0.0037713100000000, 0.0009113800000000, -0.0017973300000000 ] - [ 0.0127786100000000, 0.0066391400000000, -0.0057112300000000 ] - [ 0.0003763400000000, -0.0006409100000000, 0.0006928400000000 ] - [ -0.0005666700000000, -0.0010692500000000, 0.0015533400000000 ] - [ 0.0001498700000000, 0.0003839800000000, 0.0016152700000000 ] - [ 0.0008169400000000, 0.0003653000000000, 0.0007815000000000 ] - [ -0.0009701600000000, -0.0009784600000000, 0.0027267800000000 ] - [ 0.0005763800000000, -0.0005212500000000, 0.0011020100000000 ] - [ -0.0009020900000000, 0.0046918300000000, -0.0035251400000000 ] - [ -0.0000600500000000, 0.0003265300000000, -0.0023793400000000 ] - [ -0.0000021500000000, -0.0001894400000000, 0.0015937300000000 ] - [ 0.0001608500000000, -0.0004304800000000, 0.0013030000000000 ] - [ -0.0009015500000000, -0.0033950200000000, -0.0039869200000000 ] - [ -0.0001672600000000, 0.0002403800000000, -0.0030771600000000 ] - [ 0.0025335100000000, 0.0035433100000000, -0.0045170700000000 ] - [ 0.0005924000000000, -0.0000355600000000, -0.0015430400000000 ] - [ 0.0002936600000000, 0.0002152000000000, 0.0009547300000000 ] - [ -0.0036060400000000, -0.0014587000000000, 0.0040949600000000 ] - [ 0.0021997700000000, -0.0026348200000000, -0.0040495900000000 ] - [ 0.0003570300000000, 0.0000417900000000, -0.0014145000000000 ] - [ -0.0003750900000000, -0.0001092400000000, 0.0022606900000000 ] - [ 0.0010650000000000, -0.0006047400000000, 0.0022921000000000 ] - [ -0.0008068300000000, 0.0003534400000000, 0.0003182400000000 ] - [ 0.0011488200000000, -0.0043404300000000, 0.0111176400000000 ] - [ -0.0034785600000000, -0.0004495900000000, -0.0023239500000000 ] - [ 0.0123631000000000, -0.0066364300000000, -0.0050752900000000 ] - [ -0.0006813900000000, 0.0008625400000000, 0.0043693400000000 ] - [ 0.0004480700000000, -0.0002116700000000, 0.0021875800000000 ]- atom: 33 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ -0.0005552400000000, 0.0022904300000000, 0.0028882200000000 ] - [ -0.0002672100000000, 0.0002982000000000, -0.0013202300000000 ] - [ -0.0064669400000000, -0.0073333600000000, -0.0016365100000000 ] - [ 0.0004348200000000, 0.0036364100000000, -0.0010618300000000 ] - [ -0.0001544900000000, 0.0002259600000000, 0.0002673000000000 ] - [ -0.0003112300000000, 0.0001285500000000, 0.0009608400000000 ] - [ 0.0136016600000000, 0.0002243600000000, 0.0031362300000000 ] - [ -0.0035593900000000, 0.0000240100000000, 0.0006010700000000 ] - [ -0.0005690100000000, -0.0022538100000000, 0.0026784500000000 ] - [ -0.0002523800000000, -0.0000384300000000, -0.0018954200000000 ] - [ -0.0003278700000000, -0.0004627900000000, -0.0000954600000000 ] - [ 0.0000790900000000, -0.0004718600000000, 0.0013737000000000 ] - [ -0.0069811200000000, 0.0074602400000000, -0.0007431700000000 ] - [ 0.0008684600000000, -0.0023927900000000, -0.0008432200000000 ] - [ 0.0034300800000000, -0.0005798500000000, 0.0006664300000000 ] - [ -0.0026571600000000, -0.0002359300000000, 0.0008437900000000 ] - [ -0.0043985600000000, 0.0001177400000000, 0.0005455000000000 ] - [ 0.0171229000000000, 0.0001399200000000, 0.0018242400000000 ] - [ 0.0012083700000000, 0.0002318000000000, 0.0023935100000000 ] - [ -0.0009078800000000, -0.0000422500000000, 0.0000546500000000 ] - [ -0.0003283600000000, -0.0011476800000000, -0.0023533800000000 ] - [ -0.0012433400000000, 0.0020979300000000, 0.0038417100000000 ] - [ 0.0050178300000000, 0.0000876400000000, -0.0021167400000000 ] - [ -0.0050077100000000, 0.0001334800000000, -0.0004327800000000 ] - [ -0.0014739000000000, 0.0000621300000000, 0.0002484800000000 ] - [ 0.0018718700000000, 0.0000467200000000, -0.0011006000000000 ] - [ -0.0018174100000000, -0.0000218200000000, -0.0014919700000000 ] - [ -0.0018329300000000, -0.0001987600000000, 0.0039726200000000 ] - [ 0.3015402800000000, 0.0017181000000000, -0.1227487000000000 ] - [ -0.0106338400000000, 0.0002994200000000, -0.0031264000000000 ] - [ 0.0000333400000000, -0.0000953200000000, 0.0019782200000000 ] - [ -0.0003179500000000, -0.0000550500000000, -0.0006161500000000 ] - [ -0.4359569400000000, -0.0000472800000000, 0.1674272500000000 ] - [ 0.0080754400000000, -0.0000849400000000, -0.0010771700000000 ] - [ 0.0011550400000000, -0.0000901700000000, 0.0005519600000000 ] - [ 0.0002689200000000, 0.0020639200000000, -0.0035720700000000 ] - [ 0.0019525400000000, 0.0008268000000000, -0.0494817400000000 ] - [ 0.0023142800000000, 0.0001108800000000, 0.0019176800000000 ] - [ 0.1103318400000000, -0.0020360200000000, -0.0022174700000000 ] - [ 0.0102386300000000, -0.0001357300000000, 0.0017162600000000 ] - [ 0.0008841300000000, -0.0000079800000000, 0.0009197200000000 ] - [ -0.0007942200000000, -0.0000128200000000, 0.0010393500000000 ] - [ 0.0004965000000000, 0.0001894700000000, -0.0009090400000000 ] - [ 0.0003736800000000, 0.0001427800000000, 0.0003275100000000 ] - [ 0.0009681400000000, -0.0001292700000000, 0.0014183300000000 ] - [ 0.0003621600000000, -0.0003319100000000, -0.0028952200000000 ] - [ 0.0014821800000000, 0.0001444300000000, 0.0001585900000000 ] - [ -0.0006604000000000, 0.0002177700000000, 0.0011595400000000 ] - [ -0.0009202800000000, -0.0004352300000000, -0.0023122500000000 ] - [ -0.0001146200000000, -0.0000721900000000, 0.0004401800000000 ] - [ 0.0004984300000000, -0.0014584300000000, 0.0028782800000000 ] - [ 0.0009382700000000, 0.0003492400000000, -0.0007629700000000 ] - [ -0.0003852100000000, 0.0001244100000000, -0.0017818200000000 ] - [ 0.0002671100000000, 0.0000775700000000, -0.0006657900000000 ] - [ 0.0007772100000000, -0.0000907800000000, -0.0002084700000000 ] - [ -0.0016066400000000, -0.0000668500000000, 0.0002865800000000 ] - [ -0.0004954500000000, -0.0003056100000000, -0.0002177500000000 ] - [ 0.0004838200000000, -0.0005751400000000, 0.0000409400000000 ] - [ -0.0039625300000000, 0.0007808000000000, 0.0009962800000000 ] - [ 0.0023635700000000, -0.0010829300000000, 0.0004828200000000 ] - [ -0.0000582000000000, -0.0002253500000000, -0.0007667300000000 ] - [ -0.0001802200000000, -0.0001910000000000, -0.0005242600000000 ] - [ -0.0017400200000000, 0.0000639100000000, 0.0000422000000000 ] - [ 0.0028547300000000, 0.0002459700000000, -0.0004476200000000 ] - [ 0.0007762800000000, 0.0001264900000000, -0.0005762300000000 ] - [ -0.0006326500000000, 0.0000963600000000, 0.0011735200000000 ] - [ -0.0008270900000000, -0.0006460900000000, -0.0001110900000000 ] - [ 0.0003720400000000, 0.0000279500000000, -0.0006161700000000 ] - [ -0.0009477700000000, -0.0011586500000000, 0.0001932800000000 ] - [ 0.0016490300000000, 0.0010245400000000, 0.0019841500000000 ] - [ -0.0002674400000000, -0.0005220900000000, -0.0005977800000000 ] - [ -0.0000134800000000, -0.0003856900000000, 0.0004539200000000 ] - [ 0.0018973600000000, 0.0007659000000000, 0.0010893100000000 ] - [ 0.0028004000000000, -0.0028524400000000, -0.0088181900000000 ] - [ 0.0009540900000000, 0.0002192200000000, 0.0003632800000000 ] - [ -0.0004889500000000, -0.0014158500000000, -0.0015128800000000 ] - [ 0.0019531700000000, 0.0000047200000000, -0.0008857300000000 ] - [ -0.0023737400000000, 0.0001708000000000, 0.0060101200000000 ] - [ -0.0001561600000000, -0.0003891300000000, 0.0002292000000000 ] - [ 0.0007907000000000, -0.0001986500000000, -0.0015889500000000 ] - [ 0.0020284800000000, 0.0006138000000000, -0.0015943700000000 ] - [ -0.0022248600000000, -0.0002182100000000, 0.0064226000000000 ] - [ 0.0013524700000000, -0.0002302400000000, -0.0005396700000000 ] - [ -0.0012122200000000, 0.0008210700000000, -0.0026324200000000 ] - [ -0.0006299400000000, 0.0003553300000000, -0.0002477600000000 ] - [ -0.0003601400000000, 0.0003568900000000, 0.0006117900000000 ] - [ 0.0010379300000000, 0.0002217100000000, -0.0003237800000000 ] - [ -0.0013585500000000, -0.0008138300000000, -0.0027827500000000 ] - [ -0.0009387400000000, 0.0013729400000000, 0.0019616700000000 ] - [ 0.0016659600000000, -0.0004417600000000, -0.0006753100000000 ] - [ -0.0033939400000000, -0.0011595800000000, 0.0009554600000000 ] - [ 0.0025270700000000, 0.0012292200000000, 0.0002412600000000 ] - [ -0.0010619200000000, 0.0018287100000000, -0.0003694700000000 ] - [ 0.0014719900000000, -0.0004472700000000, 0.0012525000000000 ] - [ -0.0001376000000000, 0.0001623400000000, 0.0006759800000000 ] - [ 0.0003915100000000, -0.0003701800000000, -0.0004009700000000 ]- atom: 33 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ 0.0009007600000000, -0.0015289800000000, -0.0022567100000000 ] - [ 0.0005987100000000, 0.0004629200000000, 0.0019511400000000 ] - [ 0.0061244700000000, 0.0080307600000000, 0.0010046500000000 ] - [ -0.0010394800000000, -0.0025971500000000, 0.0004307800000000 ] - [ -0.0003135700000000, 0.0001309300000000, 0.0000103500000000 ] - [ -0.0001629400000000, 0.0002278300000000, -0.0006907400000000 ] - [ -0.0130651900000000, 0.0001148900000000, -0.0032220200000000 ] - [ 0.0040213300000000, 0.0003348000000000, -0.0008907700000000 ] - [ 0.0010480000000000, 0.0018978000000000, -0.0029411100000000 ] - [ 0.0007157600000000, -0.0003172900000000, 0.0016327300000000 ] - [ -0.0000063400000000, -0.0002989200000000, -0.0005122000000000 ] - [ -0.0004214100000000, -0.0002898300000000, -0.0019957200000000 ] - [ 0.0064996200000000, -0.0077536200000000, 0.0010100300000000 ] - [ -0.0016098900000000, 0.0017370500000000, 0.0010860600000000 ] - [ -0.0030806500000000, -0.0001823600000000, -0.0000283400000000 ] - [ 0.0029915000000000, -0.0005276300000000, -0.0002365500000000 ] - [ 0.0044878000000000, 0.0001419800000000, -0.0012615400000000 ] - [ -0.0170429300000000, 0.0001182600000000, -0.0026003400000000 ] - [ -0.0013023400000000, -0.0005015000000000, -0.0016368000000000 ] - [ 0.0008196500000000, -0.0002187700000000, 0.0006869500000000 ] - [ 0.0004475700000000, 0.0008901300000000, 0.0016001000000000 ] - [ 0.0013094900000000, -0.0023461000000000, -0.0045776000000000 ] - [ -0.0050630300000000, 0.0001708300000000, 0.0028220900000000 ] - [ 0.0049212400000000, 0.0001292500000000, 0.0011888300000000 ] - [ 0.0016715100000000, 0.0000958900000000, 0.0002837600000000 ] - [ -0.0016777400000000, 0.0001107900000000, 0.0016045100000000 ] - [ 0.0020402400000000, -0.0001348500000000, 0.0019998000000000 ] - [ 0.0019757900000000, 0.0000453200000000, -0.0034573100000000 ] - [ -0.2820882000000000, -0.0014596800000000, 0.1092573100000000 ] - [ 0.0104268500000000, -0.0001422500000000, 0.0026334900000000 ] - [ -0.0002297600000000, -0.0000618700000000, -0.0024805700000000 ] - [ 0.0001237800000000, -0.0001023700000000, 0.0001009800000000 ] - [ 0.4146078500000000, -0.0001943700000000, -0.1539351000000000 ] - [ -0.0076076900000000, -0.0000906800000000, 0.0013330900000000 ] - [ -0.0016209900000000, 0.0002632200000000, -0.0007964500000000 ] - [ -0.0006712500000000, -0.0018753000000000, 0.0033003600000000 ] - [ -0.0030803500000000, -0.0004831500000000, 0.0491479100000000 ] - [ -0.0031377700000000, 0.0002273800000000, -0.0020043300000000 ] - [ -0.1070940000000000, 0.0019334800000000, 0.0004478100000000 ] - [ -0.0100061000000000, 0.0000803500000000, -0.0033533200000000 ] - [ -0.0011511700000000, -0.0000475000000000, 0.0007170000000000 ] - [ 0.0005373600000000, -0.0000424700000000, 0.0006072200000000 ] - [ -0.0000428600000000, -0.0000138900000000, 0.0011635000000000 ] - [ 0.0000752800000000, 0.0000327300000000, -0.0000703100000000 ] - [ -0.0001493500000000, -0.0002068800000000, -0.0013440200000000 ] - [ 0.0004728000000000, -0.0000052500000000, 0.0029583100000000 ] - [ -0.0006597900000000, 0.0001926100000000, -0.0001028100000000 ] - [ 0.0014867000000000, 0.0001200300000000, -0.0010759100000000 ] - [ 0.0000979600000000, 0.0000952700000000, 0.0022337100000000 ] - [ -0.0007125700000000, -0.0002661500000000, -0.0005072200000000 ] - [ -0.0007903200000000, 0.0015179700000000, -0.0012266300000000 ] - [ -0.0011742400000000, -0.0002955400000000, 0.0024202300000000 ] - [ 0.0006447800000000, -0.0000702200000000, 0.0001333200000000 ] - [ -0.0000053400000000, -0.0000223000000000, -0.0009783100000000 ] - [ -0.0012263700000000, -0.0000859400000000, -0.0000571900000000 ] - [ 0.0011532000000000, -0.0001095300000000, -0.0005435100000000 ] - [ 0.0005454400000000, -0.0004876000000000, 0.0006920300000000 ] - [ -0.0004325400000000, -0.0002198100000000, 0.0004397800000000 ] - [ 0.0029836000000000, -0.0015011800000000, -0.0001363800000000 ] - [ -0.0033228700000000, 0.0003015400000000, 0.0003675600000000 ] - [ -0.0000696500000000, 0.0000383000000000, 0.0000013300000000 ] - [ 0.0000550500000000, 0.0000022000000000, -0.0002359600000000 ] - [ 0.0015875100000000, 0.0001231300000000, -0.0007996900000000 ] - [ -0.0029892000000000, -0.0000595200000000, -0.0003039900000000 ] - [ -0.0006544400000000, 0.0000625100000000, 0.0013291800000000 ] - [ 0.0007601600000000, 0.0000927100000000, -0.0004139100000000 ] - [ 0.0006844700000000, 0.0003946500000000, -0.0006460500000000 ] - [ -0.0005223800000000, -0.0002886900000000, -0.0001159900000000 ] - [ 0.0009846600000000, 0.0019456500000000, 0.0002856000000000 ] - [ -0.0015991900000000, -0.0002326000000000, -0.0015164000000000 ] - [ -0.0001229700000000, -0.0002037300000000, 0.0011222700000000 ] - [ -0.0003798800000000, -0.0003391200000000, 0.0000741200000000 ] - [ -0.0009336100000000, 0.0000169200000000, -0.0019204000000000 ] - [ -0.0018053800000000, 0.0036460400000000, 0.0080197100000000 ] - [ -0.0005662800000000, -0.0009452900000000, -0.0008827800000000 ] - [ 0.0008937300000000, 0.0006880800000000, 0.0009856000000000 ] - [ -0.0018047300000000, 0.0002539500000000, 0.0016059200000000 ] - [ 0.0025310800000000, 0.0000770100000000, -0.0052876000000000 ] - [ 0.0000840500000000, -0.0004167500000000, -0.0007218100000000 ] - [ -0.0008368000000000, -0.0005938100000000, 0.0011105400000000 ] - [ -0.0020821600000000, 0.0001839400000000, 0.0011008300000000 ] - [ 0.0021828100000000, 0.0010298000000000, -0.0069147200000000 ] - [ -0.0003816300000000, -0.0005455900000000, -0.0003147700000000 ] - [ 0.0021825300000000, -0.0015971600000000, 0.0017820500000000 ] - [ -0.0003396300000000, 0.0004224800000000, 0.0010921300000000 ] - [ -0.0006103300000000, 0.0004200100000000, 0.0002343700000000 ] - [ -0.0006445800000000, 0.0005031900000000, -0.0002123000000000 ] - [ 0.0017519200000000, 0.0015391300000000, 0.0022503900000000 ] - [ 0.0010315500000000, -0.0015679600000000, -0.0011988900000000 ] - [ -0.0015326700000000, 0.0002523800000000, 0.0014431800000000 ] - [ 0.0029963500000000, 0.0018463100000000, -0.0004178200000000 ] - [ -0.0029127300000000, -0.0004982200000000, 0.0002874600000000 ] - [ 0.0008978900000000, -0.0015627700000000, -0.0003644900000000 ] - [ -0.0016209300000000, 0.0007072000000000, -0.0019961300000000 ] - [ 0.0002832200000000, -0.0004259200000000, 0.0000561500000000 ] - [ -0.0002378200000000, 0.0001084500000000, 0.0011372900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001095700000000, 0.0006288700000000, 0.0005162500000000 ] - [ -0.0001644600000000, 0.0002367700000000, -0.0004885200000000 ] - [ -0.0007340200000000, 0.0005989800000000, 0.0000537000000000 ] - [ 0.0000912400000000, 0.0042899800000000, -0.0006340100000000 ] - [ -0.0002249100000000, 0.0000066400000000, 0.0001608400000000 ] - [ -0.0002539900000000, -0.0000791700000000, 0.0001609200000000 ] - [ -0.0000018800000000, 0.0051100900000000, -0.0007013200000000 ] - [ 0.0002987000000000, 0.0010411500000000, -0.0001246900000000 ] - [ 0.0002192700000000, -0.0000377500000000, -0.0002786000000000 ] - [ 0.0006747200000000, -0.0004204500000000, 0.0007540100000000 ] - [ -0.0001819600000000, -0.0002182800000000, -0.0002502600000000 ] - [ -0.0001697500000000, -0.0001219300000000, -0.0002870200000000 ] - [ 0.0002519800000000, -0.0001459000000000, -0.0002229400000000 ] - [ 0.0002771700000000, 0.0048632800000000, 0.0004196900000000 ] - [ 0.0002856900000000, -0.0028888300000000, 0.0004291800000000 ] - [ 0.0000816000000000, -0.0012458800000000, 0.0003039400000000 ] - [ 0.0000154200000000, 0.0001562700000000, -0.0003823000000000 ] - [ 0.0002370100000000, 0.0039602800000000, -0.0000865200000000 ] - [ 0.0004402700000000, -0.0000759800000000, 0.0011335600000000 ] - [ -0.0000304100000000, -0.0001110200000000, 0.0004457000000000 ] - [ -0.0004317900000000, -0.0000227100000000, -0.0008942200000000 ] - [ 0.0008278800000000, -0.0009834500000000, -0.0022267000000000 ] - [ -0.0000187900000000, -0.0044359400000000, 0.0001996400000000 ] - [ -0.0001326100000000, -0.0016805700000000, 0.0003449000000000 ] - [ 0.0000822200000000, 0.0000726500000000, 0.0002422300000000 ] - [ 0.0000985800000000, 0.0000537500000000, 0.0001732800000000 ] - [ 0.0005246800000000, -0.0000864600000000, 0.0004435200000000 ] - [ -0.0024732300000000, 0.0003115500000000, 0.0021792500000000 ] - [ -0.0003642600000000, 0.0811107600000000, -0.0009935000000000 ] - [ -0.0001056100000000, 0.0000319100000000, -0.0003516000000000 ] - [ -0.0001356800000000, -0.0000773800000000, -0.0008117400000000 ] - [ -0.0000763200000000, -0.0000787100000000, -0.0002265700000000 ] - [ 0.0020140400000000, -0.0570180000000000, 0.0027834300000000 ] - [ 0.0002105700000000, 0.0000574400000000, 0.0001543200000000 ] - [ -0.0004079200000000, 0.0000796500000000, -0.0000466600000000 ] - [ 0.0017361300000000, 0.0014470000000000, -0.0031005700000000 ] - [ 0.0009078000000000, -0.0244789300000000, -0.0019446200000000 ] - [ -0.0004232000000000, 0.0000213100000000, 0.0000102200000000 ] - [ -0.0016422900000000, -0.0264551000000000, -0.0008745800000000 ] - [ 0.0001740700000000, -0.0022193700000000, -0.0008651700000000 ] - [ -0.0001149700000000, -0.0000342500000000, 0.0008296200000000 ] - [ -0.0001073800000000, 0.0001941600000000, 0.0008447100000000 ] - [ 0.0001246800000000, 0.0001131800000000, 0.0003088300000000 ] - [ 0.0001722500000000, 0.0000773700000000, 0.0000524500000000 ] - [ 0.0002937800000000, -0.0001605400000000, -0.0001816700000000 ] - [ 0.0007880900000000, -0.0003126300000000, -0.0018284900000000 ] - [ 0.0004276900000000, 0.0003555500000000, 0.0000454200000000 ] - [ 0.0004051900000000, 0.0010643600000000, 0.0001097800000000 ] - [ -0.0003018600000000, -0.0000845000000000, 0.0006041500000000 ] - [ -0.0004382200000000, -0.0001803700000000, -0.0000500200000000 ] - [ -0.0005937700000000, -0.0000035900000000, 0.0005496400000000 ] - [ 0.0011811400000000, -0.0000273200000000, 0.0001566700000000 ] - [ 0.0003001500000000, 0.0000337000000000, -0.0006299500000000 ] - [ 0.0001402400000000, 0.0000408200000000, -0.0008693800000000 ] - [ -0.0002279600000000, 0.0001174000000000, -0.0001248700000000 ] - [ -0.0002417200000000, -0.0001100000000000, -0.0001073400000000 ] - [ -0.0001520200000000, -0.0001869900000000, 0.0000981900000000 ] - [ 0.0000434900000000, -0.0003176900000000, 0.0002065700000000 ] - [ -0.0026875200000000, 0.0063477900000000, 0.0010762200000000 ] - [ -0.0000773500000000, -0.0002202700000000, 0.0003933900000000 ] - [ -0.0000924900000000, -0.0000993000000000, -0.0004461500000000 ] - [ -0.0000896900000000, -0.0001105300000000, -0.0003802500000000 ] - [ -0.0001745300000000, 0.0007651000000000, -0.0004048800000000 ] - [ 0.0000543900000000, 0.0035608100000000, -0.0004904400000000 ] - [ 0.0000877400000000, 0.0000873900000000, 0.0003687300000000 ] - [ 0.0000473500000000, -0.0005394300000000, 0.0003221100000000 ] - [ -0.0002565900000000, -0.0003341600000000, -0.0003765600000000 ] - [ -0.0000815000000000, -0.0002280300000000, -0.0003899300000000 ] - [ -0.0004242400000000, 0.0002931900000000, 0.0006744000000000 ] - [ 0.0009915000000000, 0.0013886000000000, 0.0010612100000000 ] - [ -0.0001954600000000, -0.0004824600000000, 0.0000893300000000 ] - [ -0.0001800700000000, -0.0004224800000000, 0.0002699900000000 ] - [ 0.0006128200000000, 0.0002386900000000, -0.0004696900000000 ] - [ -0.0015040700000000, -0.0000329100000000, 0.0032947900000000 ] - [ 0.0003597900000000, -0.0002300200000000, -0.0003057600000000 ] - [ 0.0002114000000000, 0.0006025300000000, 0.0006425500000000 ] - [ 0.0002394700000000, 0.0001007900000000, 0.0003084700000000 ] - [ 0.0008195300000000, -0.0001448300000000, 0.0041437600000000 ] - [ -0.0002713400000000, -0.0007049800000000, -0.0003148000000000 ] - [ -0.0003654400000000, -0.0006286500000000, 0.0002230600000000 ] - [ -0.0001793700000000, 0.0003759000000000, -0.0001339300000000 ] - [ -0.0012969100000000, 0.0003494400000000, -0.0047359100000000 ] - [ 0.0003782200000000, -0.0004762600000000, -0.0004244100000000 ] - [ 0.0009881100000000, -0.0005483900000000, -0.0004352100000000 ] - [ -0.0004911900000000, 0.0004938400000000, 0.0002547800000000 ] - [ -0.0004620100000000, 0.0004549600000000, 0.0004461200000000 ] - [ 0.0003083100000000, 0.0002620800000000, -0.0002731100000000 ] - [ -0.0003161700000000, 0.0000808700000000, -0.0005200500000000 ] - [ 0.0010111400000000, 0.0000432300000000, 0.0010770900000000 ] - [ -0.0007276800000000, -0.0000027600000000, 0.0010861400000000 ] - [ 0.0016621600000000, 0.0060691400000000, -0.0003591200000000 ] - [ -0.0005276000000000, 0.0005181100000000, 0.0003168000000000 ] - [ 0.0003685700000000, 0.0000431000000000, -0.0007429600000000 ] - [ -0.0009988600000000, 0.0011312500000000, -0.0011088200000000 ] - [ 0.0000586700000000, 0.0000466900000000, 0.0005044700000000 ] - [ -0.0000834100000000, 0.0001767500000000, 0.0006278000000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002367500000000, 0.0001099000000000, 0.0000867600000000 ] - [ 0.0005030200000000, 0.0005202500000000, 0.0011204300000000 ] - [ 0.0004265200000000, 0.0002292400000000, -0.0006576700000000 ] - [ -0.0006784800000000, -0.0032424500000000, 0.0000273900000000 ] - [ -0.0002463300000000, 0.0003508100000000, 0.0001055900000000 ] - [ -0.0002166200000000, 0.0004375700000000, 0.0001027600000000 ] - [ 0.0004016300000000, -0.0047443600000000, 0.0004052900000000 ] - [ 0.0001947700000000, -0.0006841800000000, -0.0001473700000000 ] - [ 0.0002605600000000, -0.0002910300000000, -0.0000134400000000 ] - [ -0.0002038800000000, 0.0000704500000000, -0.0010143000000000 ] - [ -0.0001544000000000, -0.0005418200000000, -0.0003761800000000 ] - [ -0.0001716100000000, -0.0006384400000000, -0.0003527800000000 ] - [ -0.0006859100000000, -0.0002754500000000, 0.0005077300000000 ] - [ -0.0010388800000000, -0.0055380200000000, -0.0001502900000000 ] - [ 0.0000276600000000, 0.0021268000000000, 0.0001672400000000 ] - [ 0.0002777500000000, 0.0004836700000000, 0.0003106200000000 ] - [ 0.0001087900000000, 0.0001051000000000, -0.0003677200000000 ] - [ -0.0002825400000000, -0.0036991200000000, -0.0007296600000000 ] - [ -0.0005391800000000, -0.0001908900000000, -0.0004109400000000 ] - [ -0.0000553600000000, -0.0001513400000000, 0.0002932900000000 ] - [ 0.0005176500000000, -0.0002251400000000, 0.0001573800000000 ] - [ -0.0007339100000000, 0.0007270000000000, 0.0014563800000000 ] - [ -0.0001327000000000, 0.0046990400000000, 0.0005978700000000 ] - [ 0.0000844300000000, 0.0019424400000000, 0.0004095600000000 ] - [ 0.0001254100000000, 0.0000861900000000, 0.0002794300000000 ] - [ 0.0000853100000000, 0.0001056300000000, 0.0003719900000000 ] - [ -0.0003216700000000, -0.0000704100000000, 0.0000811600000000 ] - [ 0.0026845200000000, -0.0004706600000000, -0.0016883300000000 ] - [ -0.0018360400000000, -0.0809412700000000, 0.0016628200000000 ] - [ -0.0000337000000000, 0.0001260100000000, -0.0001574800000000 ] - [ -0.0000605200000000, -0.0000798400000000, 0.0002775400000000 ] - [ -0.0001190600000000, -0.0000784100000000, -0.0002920000000000 ] - [ 0.0018669600000000, 0.0568547000000000, -0.0039637000000000 ] - [ 0.0002048000000000, -0.0002331700000000, 0.0001089100000000 ] - [ -0.0000545800000000, 0.0000998400000000, -0.0002149300000000 ] - [ -0.0022081800000000, -0.0012785100000000, 0.0028798200000000 ] - [ -0.0019641300000000, 0.0247771600000000, 0.0021925500000000 ] - [ -0.0004143400000000, 0.0003176800000000, -0.0000903000000000 ] - [ 0.0013766800000000, 0.0264194300000000, -0.0007340000000000 ] - [ 0.0000385100000000, 0.0021668000000000, -0.0007953400000000 ] - [ -0.0001493000000000, -0.0000200500000000, 0.0008144000000000 ] - [ -0.0001486700000000, -0.0002485900000000, 0.0007940200000000 ] - [ 0.0003275300000000, 0.0000618100000000, -0.0000426800000000 ] - [ 0.0002814600000000, 0.0000991200000000, 0.0002052800000000 ] - [ 0.0005262500000000, -0.0001763400000000, 0.0002472000000000 ] - [ 0.0000332400000000, -0.0000226200000000, 0.0019253000000000 ] - [ 0.0003862000000000, -0.0000167000000000, 0.0000199500000000 ] - [ 0.0004214500000000, -0.0007262200000000, -0.0000675300000000 ] - [ -0.0005172500000000, -0.0002531800000000, -0.0006580900000000 ] - [ -0.0003850800000000, -0.0001578800000000, -0.0000198800000000 ] - [ 0.0003391900000000, 0.0000737700000000, 0.0010866000000000 ] - [ -0.0014457900000000, 0.0000843300000000, 0.0015029600000000 ] - [ -0.0000414600000000, 0.0000207200000000, -0.0010087300000000 ] - [ 0.0001159200000000, 0.0000134300000000, -0.0007759400000000 ] - [ -0.0002332800000000, -0.0002931900000000, -0.0001332800000000 ] - [ -0.0001993200000000, -0.0000661300000000, -0.0001589800000000 ] - [ 0.0002053800000000, -0.0006108300000000, 0.0003868900000000 ] - [ 0.0000041700000000, -0.0004794400000000, 0.0002745700000000 ] - [ 0.0017612800000000, -0.0072299200000000, -0.0002397300000000 ] - [ -0.0009141200000000, -0.0005505700000000, 0.0004513400000000 ] - [ -0.0000388700000000, -0.0000876600000000, -0.0003183900000000 ] - [ -0.0000396700000000, -0.0000765100000000, -0.0003856200000000 ] - [ 0.0000675100000000, -0.0005751600000000, -0.0003664500000000 ] - [ -0.0002093100000000, -0.0033732600000000, -0.0002785300000000 ] - [ 0.0000352900000000, 0.0001032400000000, 0.0004085400000000 ] - [ 0.0000912900000000, 0.0007302400000000, 0.0004445700000000 ] - [ 0.0001131300000000, 0.0000852400000000, -0.0003630100000000 ] - [ -0.0000704600000000, -0.0000274100000000, -0.0003435100000000 ] - [ 0.0004877700000000, 0.0005204900000000, -0.0002055200000000 ] - [ -0.0009531200000000, -0.0005938500000000, -0.0006026200000000 ] - [ -0.0001986300000000, -0.0002372900000000, 0.0004455500000000 ] - [ -0.0002147200000000, -0.0002983300000000, 0.0002578000000000 ] - [ 0.0003500700000000, 0.0005345500000000, -0.0003863500000000 ] - [ 0.0024677500000000, 0.0007992000000000, -0.0041085200000000 ] - [ 0.0000330600000000, -0.0004967000000000, -0.0002231400000000 ] - [ 0.0001838300000000, -0.0013236500000000, -0.0011527200000000 ] - [ -0.0001047400000000, 0.0001611100000000, 0.0004350900000000 ] - [ -0.0006556600000000, 0.0004270500000000, -0.0034479400000000 ] - [ 0.0002191000000000, -0.0000961100000000, -0.0001654600000000 ] - [ 0.0003115500000000, -0.0001695200000000, -0.0006925900000000 ] - [ 0.0001114900000000, 0.0004190300000000, -0.0003359700000000 ] - [ 0.0012561300000000, 0.0004244000000000, 0.0042093900000000 ] - [ 0.0005866000000000, -0.0003021100000000, -0.0004187700000000 ] - [ -0.0000040700000000, -0.0002417600000000, -0.0003873200000000 ] - [ -0.0004794000000000, 0.0002848300000000, 0.0005963700000000 ] - [ -0.0005100800000000, 0.0003234400000000, 0.0003990000000000 ] - [ 0.0000791200000000, 0.0004637700000000, -0.0002524000000000 ] - [ 0.0007212000000000, 0.0006566400000000, 0.0000175300000000 ] - [ -0.0008633700000000, -0.0002434500000000, -0.0003088800000000 ] - [ 0.0008478600000000, -0.0001879700000000, -0.0003050400000000 ] - [ -0.0020274100000000, -0.0052730900000000, 0.0008755800000000 ] - [ 0.0001122900000000, 0.0001993200000000, 0.0002085700000000 ] - [ -0.0005050400000000, 0.0001972500000000, -0.0000032400000000 ] - [ 0.0008373000000000, -0.0008703600000000, 0.0003544600000000 ] - [ 0.0000940600000000, -0.0003057200000000, 0.0002340600000000 ] - [ 0.0002306300000000, -0.0004326300000000, 0.0001157300000000 ]- atom: 33 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0022964600000000, -0.0023261900000000, -0.0028868200000000 ] - [ -0.0010304500000000, -0.0003803600000000, -0.0001554100000000 ] - [ 0.0027130300000000, 0.0036942000000000, 0.0027026200000000 ] - [ 0.0010789400000000, -0.0024978800000000, 0.0058322800000000 ] - [ -0.0004433500000000, 0.0001416600000000, -0.0012470000000000 ] - [ -0.0000422700000000, 0.0001688700000000, -0.0018044300000000 ] - [ -0.0030985900000000, 0.0002847500000000, 0.0043464300000000 ] - [ 0.0025544100000000, 0.0002047800000000, -0.0002894300000000 ] - [ 0.0025088800000000, 0.0028171600000000, -0.0035740000000000 ] - [ -0.0010512200000000, 0.0005875900000000, -0.0005411900000000 ] - [ -0.0003119000000000, -0.0003489200000000, -0.0027005500000000 ] - [ -0.0001895500000000, -0.0001890600000000, -0.0039573700000000 ] - [ 0.0030928400000000, -0.0035303600000000, 0.0028881500000000 ] - [ 0.0007715300000000, 0.0020321900000000, 0.0064414700000000 ] - [ -0.0017082800000000, -0.0000893000000000, 0.0004310800000000 ] - [ 0.0017180700000000, -0.0002805600000000, 0.0003062800000000 ] - [ 0.0034926600000000, 0.0001169700000000, -0.0006777400000000 ] - [ -0.0165882100000000, 0.0001923500000000, -0.0134571500000000 ] - [ 0.0000052200000000, 0.0005913000000000, -0.0033887500000000 ] - [ -0.0003029500000000, -0.0001480200000000, -0.0011997800000000 ] - [ -0.0018268800000000, -0.0007870500000000, -0.0002393600000000 ] - [ 0.0023904800000000, -0.0033486200000000, -0.0046109600000000 ] - [ -0.0030474000000000, 0.0002259400000000, 0.0047545900000000 ] - [ 0.0021895800000000, 0.0001307200000000, 0.0022380600000000 ] - [ 0.0010487800000000, 0.0000918900000000, 0.0006025600000000 ] - [ -0.0008886800000000, 0.0001089400000000, 0.0007026400000000 ] - [ -0.0011240900000000, -0.0000853800000000, -0.0001612800000000 ] - [ 0.0046640500000000, -0.0001607800000000, -0.0033213700000000 ] - [ -0.1748443600000000, -0.0018927100000000, 0.1795395600000000 ] - [ 0.0047214200000000, -0.0000966900000000, 0.0032548400000000 ] - [ 0.0005282200000000, -0.0001244600000000, -0.0041296900000000 ] - [ -0.0006804100000000, -0.0001548700000000, -0.0018240000000000 ] - [ 0.2599557400000000, 0.0030754900000000, -0.2446647400000000 ] - [ -0.0030028300000000, -0.0000671600000000, -0.0001851000000000 ] - [ 0.0000599100000000, 0.0002168000000000, -0.0006923600000000 ] - [ -0.0036825900000000, -0.0033333400000000, 0.0031718800000000 ] - [ -0.0525694600000000, -0.0015872100000000, 0.0743949100000000 ] - [ -0.0016939200000000, 0.0002472900000000, -0.0024472200000000 ] - [ -0.0249249600000000, 0.0006196300000000, -0.0268968400000000 ] - [ -0.0050854000000000, -0.0000120200000000, -0.0035003400000000 ] - [ -0.0010401700000000, -0.0000689100000000, 0.0008809900000000 ] - [ 0.0002638700000000, -0.0000484500000000, 0.0009764700000000 ] - [ -0.0008452400000000, -0.0001078600000000, 0.0020490900000000 ] - [ 0.0003805900000000, 0.0001480000000000, 0.0008177400000000 ] - [ 0.0007334200000000, -0.0002913600000000, 0.0004060700000000 ] - [ -0.0001686300000000, -0.0000897200000000, 0.0030966000000000 ] - [ -0.0001891000000000, 0.0001774300000000, -0.0003926200000000 ] - [ 0.0008317300000000, 0.0001625000000000, -0.0008811500000000 ] - [ -0.0002636100000000, 0.0004147100000000, 0.0033858700000000 ] - [ -0.0000855000000000, -0.0000389000000000, 0.0010553700000000 ] - [ 0.0016651200000000, -0.0005914300000000, 0.0001318700000000 ] - [ -0.0021240800000000, -0.0002167500000000, 0.0011212800000000 ] - [ 0.0004428400000000, 0.0000316700000000, 0.0007153500000000 ] - [ 0.0007633700000000, -0.0001238600000000, 0.0000753400000000 ] - [ -0.0005618700000000, -0.0000918900000000, 0.0000129900000000 ] - [ 0.0005314000000000, -0.0001186100000000, -0.0000901100000000 ] - [ 0.0003357300000000, -0.0007199100000000, 0.0011219000000000 ] - [ -0.0001167600000000, -0.0003355300000000, 0.0008519500000000 ] - [ 0.0013762300000000, -0.0016760600000000, -0.0016207500000000 ] - [ -0.0017552900000000, -0.0001105900000000, -0.0001286700000000 ] - [ -0.0001102600000000, -0.0001833700000000, 0.0007233500000000 ] - [ 0.0002425500000000, 0.0001039100000000, 0.0004955500000000 ] - [ 0.0007491400000000, 0.0000976000000000, -0.0015330000000000 ] - [ -0.0016400200000000, 0.0001748600000000, -0.0009086800000000 ] - [ -0.0011462500000000, 0.0000804100000000, 0.0015454500000000 ] - [ 0.0013312100000000, 0.0000644100000000, 0.0013921900000000 ] - [ -0.0005785200000000, -0.0009244000000000, 0.0023213500000000 ] - [ -0.0001639700000000, -0.0001913200000000, 0.0003600400000000 ] - [ 0.0002368000000000, 0.0019196800000000, -0.0006748100000000 ] - [ -0.0004848800000000, 0.0003755600000000, -0.0013372700000000 ] - [ -0.0007352800000000, -0.0000885100000000, 0.0019132000000000 ] - [ -0.0000305600000000, -0.0003604100000000, 0.0008476200000000 ] - [ 0.0004277600000000, 0.0003027100000000, -0.0013253700000000 ] - [ -0.0052900400000000, 0.0049438900000000, 0.0081466300000000 ] - [ 0.0001981000000000, -0.0004717300000000, -0.0006392600000000 ] - [ 0.0002622100000000, 0.0007086900000000, 0.0002993900000000 ] - [ -0.0015667500000000, 0.0003874600000000, 0.0004652800000000 ] - [ 0.0046277500000000, 0.0038770100000000, 0.0010679600000000 ] - [ 0.0017497300000000, 0.0009156600000000, 0.0013510000000000 ] - [ -0.0010888400000000, -0.0005703500000000, 0.0014684600000000 ] - [ -0.0018685600000000, 0.0001074900000000, -0.0001259600000000 ] - [ 0.0050206000000000, -0.0036745600000000, 0.0006930400000000 ] - [ 0.0000503700000000, -0.0004554300000000, -0.0000898300000000 ] - [ 0.0016164900000000, -0.0023306800000000, 0.0034761000000000 ] - [ -0.0006087500000000, 0.0003234800000000, 0.0015585700000000 ] - [ -0.0003758800000000, 0.0004206300000000, 0.0009354500000000 ] - [ -0.0001829400000000, 0.0003902400000000, 0.0000031800000000 ] - [ 0.0011543800000000, 0.0022520000000000, 0.0039366600000000 ] - [ 0.0019595300000000, 0.0005117100000000, -0.0004698900000000 ] - [ -0.0013489800000000, 0.0004262300000000, 0.0005933800000000 ] - [ 0.0015881500000000, 0.0017693900000000, -0.0016449800000000 ] - [ -0.0014197600000000, -0.0000077700000000, -0.0002251200000000 ] - [ 0.0001445800000000, -0.0016235200000000, -0.0013644400000000 ] - [ -0.0005871900000000, 0.0001560900000000, -0.0019284200000000 ] - [ 0.0003556400000000, 0.0000387100000000, 0.0007975600000000 ] - [ -0.0003140600000000, 0.0001221600000000, 0.0012355900000000 ]- atom: 33 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0019730000000000, 0.0031161500000000, 0.0035178000000000 ] - [ 0.0013662700000000, 0.0011405400000000, 0.0007624500000000 ] - [ -0.0030385000000000, -0.0029060300000000, -0.0033294300000000 ] - [ -0.0014663900000000, 0.0033052000000000, -0.0064083200000000 ] - [ -0.0000320100000000, 0.0002144100000000, 0.0015148400000000 ] - [ -0.0004243800000000, 0.0001868400000000, 0.0020748100000000 ] - [ 0.0038200900000000, 0.0000370200000000, -0.0040896400000000 ] - [ -0.0020791200000000, 0.0001503300000000, 0.0000325100000000 ] - [ -0.0020557000000000, -0.0032050300000000, 0.0033148600000000 ] - [ 0.0015184000000000, -0.0009415100000000, 0.0002535300000000 ] - [ -0.0000346900000000, -0.0004132300000000, 0.0020686900000000 ] - [ -0.0001401500000000, -0.0005733600000000, 0.0033434400000000 ] - [ -0.0035491500000000, 0.0031484400000000, -0.0026248700000000 ] - [ -0.0012754000000000, -0.0024251200000000, -0.0061278300000000 ] - [ 0.0020481300000000, -0.0006696900000000, 0.0002125200000000 ] - [ -0.0013803600000000, -0.0004794400000000, 0.0003271600000000 ] - [ -0.0034271500000000, 0.0001442100000000, -0.0000814500000000 ] - [ 0.0168584700000000, 0.0000678600000000, 0.0126877800000000 ] - [ -0.0000913200000000, -0.0008397300000000, 0.0041290600000000 ] - [ 0.0002132600000000, -0.0001107400000000, 0.0019423700000000 ] - [ 0.0019037100000000, 0.0005160700000000, -0.0004868400000000 ] - [ -0.0022912300000000, 0.0030755500000000, 0.0038809500000000 ] - [ 0.0029813700000000, 0.0000316500000000, -0.0040484000000000 ] - [ -0.0022909300000000, 0.0001299900000000, -0.0015072800000000 ] - [ -0.0008633500000000, 0.0000655500000000, -0.0000999900000000 ] - [ 0.0010982400000000, 0.0000482900000000, -0.0002099400000000 ] - [ 0.0013078900000000, -0.0000721600000000, 0.0006874800000000 ] - [ -0.0044446500000000, 0.0000006400000000, 0.0038450900000000 ] - [ 0.1884610800000000, 0.0020824800000000, -0.1860079200000000 ] - [ -0.0049328700000000, 0.0002550100000000, -0.0037935300000000 ] - [ -0.0007251000000000, -0.0000333300000000, 0.0036129000000000 ] - [ 0.0004836400000000, -0.0000028000000000, 0.0013076700000000 ] - [ -0.2746046200000000, -0.0033922500000000, 0.2518550000000000 ] - [ 0.0034558500000000, -0.0001095400000000, 0.0004443300000000 ] - [ -0.0005088100000000, -0.0000389500000000, 0.0004261900000000 ] - [ 0.0032043400000000, 0.0034754300000000, -0.0034190700000000 ] - [ 0.0533907100000000, 0.0019950000000000, -0.0764737800000000 ] - [ 0.0008788000000000, 0.0000903900000000, 0.0023882400000000 ] - [ 0.0246599200000000, -0.0006557100000000, 0.0255728600000000 ] - [ 0.0053551800000000, -0.0000423300000000, 0.0018433200000000 ] - [ 0.0007952000000000, 0.0000150400000000, 0.0007713200000000 ] - [ -0.0005222400000000, -0.0000059900000000, 0.0006753900000000 ] - [ 0.0012996500000000, 0.0002853600000000, -0.0017941700000000 ] - [ 0.0000763300000000, 0.0000299600000000, -0.0005589700000000 ] - [ 0.0000906800000000, -0.0000478800000000, -0.0003426900000000 ] - [ 0.0009847500000000, -0.0002473700000000, -0.0030303100000000 ] - [ 0.0010151100000000, 0.0001608500000000, 0.0004727300000000 ] - [ -0.0000132000000000, 0.0001760400000000, 0.0009703600000000 ] - [ -0.0005596500000000, -0.0007492300000000, -0.0034581300000000 ] - [ -0.0007347800000000, -0.0002976600000000, -0.0011284600000000 ] - [ -0.0019113600000000, 0.0006371900000000, 0.0015041300000000 ] - [ 0.0018556800000000, 0.0002705600000000, 0.0005101900000000 ] - [ -0.0001854500000000, 0.0000247300000000, -0.0023622300000000 ] - [ -0.0005100300000000, 0.0001795500000000, -0.0017213100000000 ] - [ 0.0001107700000000, -0.0000846900000000, -0.0002670700000000 ] - [ -0.0009989000000000, -0.0000572500000000, -0.0001581400000000 ] - [ -0.0002837400000000, -0.0000834500000000, -0.0006473800000000 ] - [ 0.0001675500000000, -0.0004647900000000, -0.0003770600000000 ] - [ -0.0023584800000000, 0.0009292600000000, 0.0024635700000000 ] - [ 0.0007844400000000, -0.0006652500000000, 0.0009743500000000 ] - [ -0.0000179500000000, -0.0000095800000000, -0.0014900100000000 ] - [ -0.0003766300000000, -0.0002952800000000, -0.0012649100000000 ] - [ -0.0008836100000000, 0.0000926900000000, 0.0007655100000000 ] - [ 0.0015172400000000, 0.0000177100000000, 0.0001409300000000 ] - [ 0.0012899500000000, 0.0001094300000000, -0.0007804000000000 ] - [ -0.0012085000000000, 0.0001257800000000, -0.0006143500000000 ] - [ 0.0004196000000000, 0.0006592900000000, -0.0030415800000000 ] - [ 0.0000135700000000, -0.0000652700000000, -0.0010997300000000 ] - [ -0.0001880000000000, -0.0011312800000000, 0.0011663800000000 ] - [ 0.0005381500000000, 0.0004236600000000, 0.0018188700000000 ] - [ 0.0003399900000000, -0.0006358000000000, -0.0013876400000000 ] - [ -0.0003616400000000, -0.0003633400000000, -0.0003187600000000 ] - [ 0.0005453100000000, 0.0004733600000000, 0.0004687500000000 ] - [ 0.0061683300000000, -0.0041085700000000, -0.0088653100000000 ] - [ 0.0001993000000000, -0.0002507400000000, 0.0001069700000000 ] - [ 0.0001327200000000, -0.0014281900000000, -0.0008370700000000 ] - [ 0.0017259600000000, -0.0001329600000000, 0.0002820600000000 ] - [ -0.0045008900000000, -0.0036286000000000, -0.0003036200000000 ] - [ -0.0017813900000000, -0.0016947400000000, -0.0018177400000000 ] - [ 0.0010326600000000, -0.0002262500000000, -0.0019481000000000 ] - [ 0.0018283700000000, 0.0006934300000000, -0.0003396000000000 ] - [ -0.0050975300000000, 0.0044842400000000, -0.0011364400000000 ] - [ 0.0009261400000000, -0.0003202300000000, -0.0007522200000000 ] - [ -0.0006675800000000, 0.0015694500000000, -0.0043445100000000 ] - [ -0.0003639400000000, 0.0004515700000000, -0.0007144200000000 ] - [ -0.0005953100000000, 0.0003561200000000, -0.0000889800000000 ] - [ 0.0005815900000000, 0.0003314100000000, -0.0005271600000000 ] - [ -0.0007809400000000, -0.0015449500000000, -0.0044903200000000 ] - [ -0.0018223000000000, -0.0006912400000000, 0.0012267100000000 ] - [ 0.0014777500000000, -0.0006120200000000, 0.0001630900000000 ] - [ -0.0019934800000000, -0.0010675900000000, 0.0021685200000000 ] - [ 0.0010234900000000, 0.0007294100000000, 0.0007516000000000 ] - [ -0.0002963700000000, 0.0018913600000000, 0.0006426300000000 ] - [ 0.0004409700000000, 0.0000987800000000, 0.0011963400000000 ] - [ -0.0002057200000000, -0.0002934300000000, -0.0000649900000000 ] - [ 0.0004619000000000, -0.0003786800000000, -0.0005041800000000 ]- atom: 37 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0012599700000000, 0.0015795900000000, 0.0027253900000000 ] - [ -0.0017693800000000, -0.0007091000000000, -0.0013835900000000 ] - [ -0.0034881500000000, -0.0034220200000000, -0.0017312200000000 ] - [ -0.0017214800000000, 0.0029095100000000, 0.0020940100000000 ] - [ -0.0004404000000000, 0.0002308500000000, -0.0000384400000000 ] - [ -0.0000210500000000, 0.0001597100000000, -0.0002411700000000 ] - [ 0.0044124500000000, 0.0003390600000000, -0.0010589000000000 ] - [ -0.0010051700000000, 0.0001527300000000, -0.0003974600000000 ] - [ 0.0013631400000000, -0.0016041700000000, 0.0025782400000000 ] - [ -0.0018487300000000, 0.0009656000000000, -0.0019273700000000 ] - [ -0.0005791400000000, -0.0004280500000000, -0.0002552500000000 ] - [ 0.0001826800000000, -0.0003069000000000, -0.0015304800000000 ] - [ -0.0038644400000000, 0.0037406700000000, -0.0010491800000000 ] - [ -0.0018537400000000, -0.0027807500000000, 0.0024362900000000 ] - [ 0.0012897900000000, -0.0004310100000000, 0.0001596600000000 ] - [ -0.0007225000000000, -0.0003158500000000, 0.0001527200000000 ] - [ -0.0037415500000000, 0.0001930800000000, 0.0014204600000000 ] - [ 0.0538843700000000, 0.0005994200000000, 0.0272475800000000 ] - [ 0.0004991700000000, -0.0001443800000000, 0.0005184600000000 ] - [ -0.0007059300000000, -0.0001876600000000, -0.0006960700000000 ] - [ -0.0003102300000000, -0.0006146800000000, -0.0019493000000000 ] - [ -0.0001462000000000, 0.0003432100000000, 0.0001956100000000 ] - [ 0.0030082100000000, 0.0000658900000000, 0.0001110700000000 ] - [ -0.0021143200000000, 0.0001976400000000, 0.0011615400000000 ] - [ -0.0011921700000000, 0.0000809400000000, 0.0009631800000000 ] - [ 0.0016415800000000, 0.0000954200000000, -0.0000391500000000 ] - [ -0.0009798700000000, -0.0000506800000000, -0.0011812800000000 ] - [ -0.0002609600000000, -0.0000857500000000, 0.0006935500000000 ] - [ 0.0948579600000000, 0.0005966100000000, -0.0106553200000000 ] - [ -0.0037051000000000, 0.0001064300000000, 0.0001766800000000 ] - [ 0.0004996100000000, -0.0000998500000000, -0.0000417100000000 ] - [ -0.0006405400000000, -0.0000894800000000, -0.0012789000000000 ] - [ 0.0028362500000000, 0.0013448600000000, -0.0538114500000000 ] - [ 0.0029479800000000, -0.0000928500000000, -0.0004556000000000 ] - [ 0.0003269400000000, -0.0000275900000000, 0.0003545300000000 ] - [ -0.0002764300000000, 0.0004688100000000, -0.0007470900000000 ] - [ -0.1788063400000000, 0.0002203800000000, -0.0395021800000000 ] - [ 0.0011071700000000, 0.0001741300000000, -0.0001767500000000 ] - [ 0.0077944000000000, -0.0025205300000000, 0.0631950200000000 ] - [ 0.0025759700000000, -0.0000273600000000, -0.0006188100000000 ] - [ 0.0004798300000000, 0.0000040500000000, 0.0007523100000000 ] - [ -0.0008721500000000, -0.0000595000000000, 0.0007889000000000 ] - [ -0.0002766600000000, -0.0000180200000000, 0.0001386100000000 ] - [ 0.0005241300000000, 0.0001149600000000, 0.0005434500000000 ] - [ 0.0007852200000000, -0.0001211500000000, 0.0012176700000000 ] - [ 0.0003780800000000, -0.0001905000000000, -0.0003200000000000 ] - [ 0.0010583300000000, 0.0001447500000000, -0.0003798800000000 ] - [ -0.0005647300000000, 0.0002039400000000, -0.0000516700000000 ] - [ -0.0006380100000000, -0.0002117700000000, -0.0002663700000000 ] - [ -0.0001434200000000, -0.0001031200000000, 0.0008631100000000 ] - [ 0.0004019800000000, -0.0008406200000000, 0.0021359600000000 ] - [ 0.0002052200000000, 0.0000647000000000, 0.0005475900000000 ] - [ -0.0001733300000000, 0.0000896300000000, -0.0011410800000000 ] - [ 0.0005965200000000, -0.0001191300000000, -0.0001895600000000 ] - [ 0.0008399700000000, -0.0001087500000000, -0.0004586400000000 ] - [ -0.0012999000000000, -0.0000797800000000, 0.0000175300000000 ] - [ -0.0001532300000000, -0.0003682200000000, 0.0002819200000000 ] - [ 0.0002077800000000, -0.0004226600000000, 0.0005045500000000 ] - [ -0.0017289000000000, -0.0001383200000000, 0.0003626500000000 ] - [ 0.0005645400000000, -0.0007170100000000, 0.0002990400000000 ] - [ -0.0000763800000000, -0.0001505500000000, -0.0005120400000000 ] - [ 0.0000443900000000, 0.0000559800000000, 0.0000715200000000 ] - [ -0.0006407900000000, 0.0000970500000000, -0.0001380700000000 ] - [ 0.0005131900000000, 0.0000881200000000, -0.0006318200000000 ] - [ 0.0005302600000000, 0.0001019600000000, -0.0007248700000000 ] - [ 0.0008529600000000, 0.0000517500000000, 0.0023527500000000 ] - [ -0.0002462800000000, -0.0002504200000000, -0.0001736200000000 ] - [ 0.0001583500000000, -0.0000617300000000, -0.0000360900000000 ] - [ -0.0006941900000000, -0.0011108500000000, 0.0000007100000000 ] - [ 0.0010504400000000, 0.0010026000000000, -0.0000364300000000 ] - [ -0.0006097800000000, -0.0002665100000000, 0.0002450100000000 ] - [ 0.0001108200000000, -0.0003491000000000, 0.0006803500000000 ] - [ 0.0012193600000000, 0.0006897500000000, 0.0005159000000000 ] - [ 0.0007647100000000, -0.0000371000000000, -0.0017010500000000 ] - [ 0.0005179100000000, -0.0001133800000000, 0.0001421700000000 ] - [ -0.0000490000000000, -0.0006368100000000, -0.0005075100000000 ] - [ 0.0021563500000000, -0.0004636600000000, -0.0005215300000000 ] - [ 0.0107055800000000, 0.0082652900000000, 0.0033062400000000 ] - [ -0.0001666400000000, -0.0005006000000000, 0.0001035400000000 ] - [ 0.0001004900000000, -0.0004135500000000, -0.0002165500000000 ] - [ 0.0024932700000000, 0.0011123900000000, -0.0011602500000000 ] - [ 0.0121901400000000, -0.0080871100000000, 0.0023204600000000 ] - [ 0.0014361200000000, -0.0001421200000000, -0.0007745000000000 ] - [ -0.0012480200000000, -0.0014729500000000, 0.0019002700000000 ] - [ -0.0006959100000000, 0.0003460400000000, 0.0003056100000000 ] - [ -0.0002791100000000, 0.0004536700000000, 0.0007984600000000 ] - [ 0.0011479200000000, 0.0001122900000000, -0.0005819400000000 ] - [ -0.0018149200000000, 0.0013867000000000, 0.0020301700000000 ] - [ -0.0003270200000000, 0.0007084600000000, 0.0013878600000000 ] - [ 0.0005112700000000, -0.0001602300000000, 0.0002271900000000 ] - [ -0.0013486300000000, -0.0000204600000000, 0.0002226300000000 ] - [ 0.0008495700000000, 0.0007466700000000, 0.0001113600000000 ] - [ -0.0008265900000000, 0.0019994000000000, -0.0005510100000000 ] - [ 0.0009950700000000, -0.0005265800000000, -0.0006373200000000 ] - [ 0.0000672000000000, -0.0000326100000000, 0.0007262200000000 ] - [ 0.0001227800000000, -0.0001712000000000, 0.0003927200000000 ]- atom: 37 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0009523900000000, -0.0008049900000000, -0.0021039700000000 ] - [ 0.0021322800000000, 0.0014848200000000, 0.0020163900000000 ] - [ 0.0031778400000000, 0.0042178000000000, 0.0010866400000000 ] - [ 0.0013476300000000, -0.0021118100000000, -0.0027568600000000 ] - [ -0.0000296900000000, 0.0001251700000000, 0.0003203600000000 ] - [ -0.0004509400000000, 0.0001964800000000, 0.0005301100000000 ] - [ -0.0039403300000000, 0.0000109300000000, 0.0008745500000000 ] - [ 0.0014781800000000, 0.0002039100000000, 0.0001371300000000 ] - [ -0.0009249000000000, 0.0012363600000000, -0.0028507500000000 ] - [ 0.0023461200000000, -0.0013361500000000, 0.0016675300000000 ] - [ 0.0002418100000000, -0.0003334700000000, -0.0003536900000000 ] - [ -0.0005191700000000, -0.0004573200000000, 0.0009542500000000 ] - [ 0.0034216900000000, -0.0041284500000000, 0.0012943400000000 ] - [ 0.0013478400000000, 0.0023889200000000, -0.0022094800000000 ] - [ -0.0009533700000000, -0.0003311600000000, 0.0004724200000000 ] - [ 0.0010626700000000, -0.0004471600000000, 0.0004762700000000 ] - [ 0.0038277200000000, 0.0000680700000000, -0.0021755800000000 ] - [ -0.0554354100000000, -0.0003478900000000, -0.0303069800000000 ] - [ -0.0005953200000000, -0.0001155300000000, 0.0002478300000000 ] - [ 0.0006270600000000, -0.0000713400000000, 0.0014618900000000 ] - [ 0.0004125800000000, 0.0003605600000000, 0.0012349500000000 ] - [ 0.0002275600000000, -0.0005948800000000, -0.0009114400000000 ] - [ -0.0031023100000000, 0.0001927700000000, 0.0005875200000000 ] - [ 0.0020293200000000, 0.0000620600000000, -0.0004459600000000 ] - [ 0.0013890700000000, 0.0000765200000000, -0.0004617900000000 ] - [ -0.0014466400000000, 0.0000614900000000, 0.0005419600000000 ] - [ 0.0011937600000000, -0.0001076100000000, 0.0017240600000000 ] - [ 0.0004388500000000, -0.0000721200000000, -0.0001521900000000 ] - [ -0.0946591000000000, -0.0003810100000000, 0.0078831200000000 ] - [ 0.0035159500000000, 0.0000523900000000, -0.0007326900000000 ] - [ -0.0007087600000000, -0.0000572100000000, -0.0004509900000000 ] - [ 0.0004553300000000, -0.0000673900000000, 0.0007856400000000 ] - [ -0.0022046100000000, -0.0015237900000000, 0.0545147600000000 ] - [ -0.0025077200000000, -0.0000837300000000, 0.0007257100000000 ] - [ -0.0007897200000000, 0.0002052400000000, -0.0006182000000000 ] - [ -0.0001631500000000, -0.0002829400000000, 0.0004750600000000 ] - [ 0.1797435500000000, 0.0000722800000000, 0.0433572500000000 ] - [ -0.0019315700000000, 0.0001628500000000, 0.0001313800000000 ] - [ -0.0076716500000000, 0.0024444300000000, -0.0643407500000000 ] - [ -0.0023130900000000, -0.0000278500000000, -0.0010148300000000 ] - [ -0.0007303000000000, -0.0000585200000000, 0.0008969800000000 ] - [ 0.0006196100000000, 0.0000056800000000, 0.0008598800000000 ] - [ 0.0007455300000000, 0.0001982300000000, 0.0001036800000000 ] - [ -0.0000729800000000, 0.0000615300000000, -0.0002948500000000 ] - [ 0.0000302500000000, -0.0002167400000000, -0.0011675900000000 ] - [ 0.0004458500000000, -0.0001477600000000, 0.0003702600000000 ] - [ -0.0002370800000000, 0.0001936200000000, 0.0004626300000000 ] - [ 0.0013916500000000, 0.0001342900000000, 0.0001386400000000 ] - [ -0.0001826500000000, -0.0001280300000000, 0.0001748200000000 ] - [ -0.0006839800000000, -0.0002359400000000, -0.0009536300000000 ] - [ -0.0006738400000000, 0.0009060200000000, -0.0005060900000000 ] - [ -0.0004563800000000, -0.0000085300000000, 0.0010939800000000 ] - [ 0.0004311400000000, -0.0000348300000000, -0.0005120800000000 ] - [ -0.0003540200000000, 0.0001775700000000, -0.0014704600000000 ] - [ -0.0013017300000000, -0.0000675100000000, 0.0002051200000000 ] - [ 0.0008441500000000, -0.0000962300000000, -0.0002712800000000 ] - [ 0.0002048600000000, -0.0004312200000000, 0.0001876800000000 ] - [ -0.0001587200000000, -0.0003772800000000, -0.0000353300000000 ] - [ 0.0007585800000000, -0.0006257300000000, 0.0004957700000000 ] - [ -0.0015423800000000, -0.0000561900000000, 0.0005529600000000 ] - [ -0.0000527000000000, -0.0000394100000000, -0.0002618200000000 ] - [ -0.0001817300000000, -0.0002499600000000, -0.0008516900000000 ] - [ 0.0005116100000000, 0.0000925300000000, -0.0006232800000000 ] - [ -0.0006406200000000, 0.0001014900000000, -0.0001306900000000 ] - [ -0.0003954600000000, 0.0000879800000000, 0.0014945100000000 ] - [ -0.0007472900000000, 0.0001383700000000, -0.0016038500000000 ] - [ 0.0000992800000000, -0.0000030800000000, -0.0005760700000000 ] - [ -0.0003113000000000, -0.0001952700000000, -0.0007105600000000 ] - [ 0.0007485500000000, 0.0019017400000000, 0.0004940900000000 ] - [ -0.0010047600000000, -0.0002097000000000, 0.0005283000000000 ] - [ 0.0002243100000000, -0.0004600600000000, 0.0002700400000000 ] - [ -0.0005088000000000, -0.0003741800000000, -0.0001607900000000 ] - [ -0.0002568500000000, 0.0000840600000000, -0.0013729500000000 ] - [ 0.0002186700000000, 0.0008032900000000, 0.0008348000000000 ] - [ -0.0001260900000000, -0.0006120300000000, -0.0006744500000000 ] - [ 0.0004473100000000, -0.0000882500000000, -0.0000240300000000 ] - [ -0.0019910200000000, 0.0007139100000000, 0.0012670000000000 ] - [ -0.0107802400000000, -0.0081878000000000, -0.0026070000000000 ] - [ 0.0001121100000000, -0.0002976300000000, -0.0005937800000000 ] - [ -0.0001482000000000, -0.0003817700000000, -0.0002742200000000 ] - [ -0.0025219600000000, -0.0003040200000000, 0.0006919100000000 ] - [ -0.0125060000000000, 0.0090798200000000, -0.0028267400000000 ] - [ -0.0004680400000000, -0.0006363100000000, -0.0000702600000000 ] - [ 0.0021985900000000, 0.0007777700000000, -0.0028496500000000 ] - [ -0.0002727400000000, 0.0004308500000000, 0.0005327600000000 ] - [ -0.0006955400000000, 0.0003223100000000, 0.0000400500000000 ] - [ -0.0007579300000000, 0.0006123500000000, 0.0000556100000000 ] - [ 0.0022018900000000, -0.0007482200000000, -0.0026665700000000 ] - [ 0.0004517500000000, -0.0009082200000000, -0.0006337400000000 ] - [ -0.0003780600000000, -0.0000303000000000, 0.0005372400000000 ] - [ 0.0009521800000000, 0.0007345900000000, 0.0003155000000000 ] - [ -0.0012535300000000, -0.0000277000000000, 0.0004211800000000 ] - [ 0.0006803900000000, -0.0017346800000000, -0.0001679200000000 ] - [ -0.0011506500000000, 0.0007891800000000, -0.0000847100000000 ] - [ 0.0000807900000000, -0.0002265300000000, 0.0000003700000000 ] - [ 0.0000276000000000, -0.0000867600000000, 0.0003353200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021341600000000, -0.0011674300000000, -0.0020338100000000 ] - [ -0.0006991300000000, -0.0000999700000000, -0.0006049400000000 ] - [ -0.0009675100000000, 0.0005603100000000, -0.0021822400000000 ] - [ 0.0004506700000000, 0.0004286400000000, -0.0023928600000000 ] - [ -0.0002640000000000, -0.0000506400000000, 0.0001974900000000 ] - [ -0.0002105100000000, -0.0003885000000000, 0.0002655800000000 ] - [ 0.0001754000000000, -0.0004153300000000, 0.0002625600000000 ] - [ 0.0002421400000000, 0.0002483200000000, -0.0001167200000000 ] - [ -0.0021657900000000, -0.0019395400000000, 0.0027663500000000 ] - [ 0.0012432500000000, -0.0006581900000000, 0.0008068400000000 ] - [ -0.0001835900000000, -0.0001054200000000, -0.0002340400000000 ] - [ -0.0001857400000000, 0.0009261800000000, -0.0001406300000000 ] - [ 0.0008936800000000, -0.0005492700000000, 0.0017032100000000 ] - [ -0.0011221800000000, -0.0005023200000000, 0.0020776600000000 ] - [ 0.0001414400000000, -0.0005083600000000, 0.0003269900000000 ] - [ 0.0001745100000000, -0.0004945700000000, 0.0003254200000000 ] - [ -0.0000595300000000, 0.0017174900000000, -0.0003477200000000 ] - [ 0.0008025900000000, 0.0171884100000000, 0.0000921100000000 ] - [ 0.0000451900000000, -0.0002455500000000, 0.0001405400000000 ] - [ -0.0001644500000000, -0.0001229000000000, 0.0001811300000000 ] - [ 0.0002635500000000, -0.0000524700000000, -0.0001061900000000 ] - [ 0.0000255200000000, 0.0000714000000000, -0.0001592500000000 ] - [ 0.0000783600000000, -0.0045560100000000, 0.0001634100000000 ] - [ -0.0000735200000000, -0.0005963500000000, 0.0003009900000000 ] - [ 0.0000139800000000, 0.0000640400000000, 0.0001793100000000 ] - [ 0.0001610600000000, -0.0006259900000000, 0.0002044200000000 ] - [ -0.0000944600000000, -0.0001236600000000, 0.0002740300000000 ] - [ 0.0002436100000000, -0.0001319100000000, 0.0002608300000000 ] - [ 0.0007766200000000, 0.0711638400000000, -0.0099540300000000 ] - [ -0.0000832800000000, 0.0001284400000000, -0.0004408400000000 ] - [ -0.0004202500000000, -0.0000449100000000, 0.0002190400000000 ] - [ 0.0000654100000000, -0.0000584400000000, 0.0000192600000000 ] - [ 0.0009499300000000, -0.0246962400000000, -0.0017181800000000 ] - [ 0.0001670400000000, -0.0002362000000000, 0.0001984600000000 ] - [ -0.0001926100000000, 0.0000970500000000, -0.0002447100000000 ] - [ -0.0003839700000000, -0.0000500400000000, -0.0000970800000000 ] - [ -0.0005608300000000, -0.0499564900000000, 0.0132027500000000 ] - [ -0.0004037700000000, -0.0001885100000000, 0.0000762400000000 ] - [ -0.0015214600000000, -0.0204948400000000, -0.0039932300000000 ] - [ 0.0001659300000000, -0.0002812700000000, -0.0007608500000000 ] - [ -0.0000274200000000, 0.0005467500000000, 0.0008369100000000 ] - [ -0.0001598600000000, 0.0004360600000000, 0.0008182100000000 ] - [ 0.0004966600000000, 0.0001733100000000, -0.0004084700000000 ] - [ 0.0001307600000000, 0.0000770700000000, -0.0000351700000000 ] - [ 0.0004560500000000, -0.0001508400000000, 0.0000642800000000 ] - [ 0.0003906000000000, -0.0001268100000000, 0.0000959300000000 ] - [ 0.0004379300000000, 0.0003963500000000, 0.0000927200000000 ] - [ 0.0003722300000000, 0.0013043300000000, 0.0000719400000000 ] - [ -0.0003686500000000, -0.0002185000000000, -0.0004737200000000 ] - [ -0.0004787700000000, -0.0001871200000000, -0.0002957100000000 ] - [ 0.0000086800000000, -0.0000861200000000, 0.0009323300000000 ] - [ -0.0001221300000000, 0.0000347800000000, 0.0007211600000000 ] - [ 0.0003380400000000, 0.0000114300000000, -0.0010838500000000 ] - [ -0.0000620800000000, 0.0000391300000000, -0.0010825000000000 ] - [ -0.0002016500000000, 0.0000980700000000, -0.0001313300000000 ] - [ -0.0002791100000000, 0.0008074600000000, -0.0001380800000000 ] - [ 0.0000007000000000, -0.0003462300000000, 0.0002666400000000 ] - [ 0.0000107500000000, -0.0003335900000000, 0.0002774700000000 ] - [ -0.0003600200000000, 0.0001854700000000, -0.0003226500000000 ] - [ -0.0005185100000000, -0.0002774600000000, 0.0003815100000000 ] - [ -0.0001925700000000, -0.0000776700000000, -0.0002565400000000 ] - [ 0.0001167300000000, -0.0000113500000000, -0.0000836100000000 ] - [ -0.0000272000000000, 0.0007466700000000, -0.0002733800000000 ] - [ -0.0000507200000000, 0.0003344300000000, -0.0003691500000000 ] - [ 0.0001159900000000, -0.0005897600000000, 0.0003460100000000 ] - [ 0.0000333200000000, -0.0012805800000000, 0.0003539600000000 ] - [ -0.0000993000000000, -0.0001554800000000, -0.0004038800000000 ] - [ -0.0001027600000000, -0.0001947900000000, -0.0003558300000000 ] - [ -0.0006613200000000, 0.0037852100000000, -0.0003125100000000 ] - [ 0.0003946100000000, 0.0008924300000000, 0.0000629800000000 ] - [ -0.0003145700000000, -0.0004951900000000, 0.0005851700000000 ] - [ -0.0001461600000000, -0.0004518200000000, 0.0003201800000000 ] - [ 0.0003647200000000, 0.0003232200000000, -0.0004806100000000 ] - [ 0.0008215200000000, 0.0002142900000000, -0.0008207300000000 ] - [ 0.0001560800000000, -0.0003622400000000, -0.0002305300000000 ] - [ 0.0002076500000000, -0.0003644700000000, -0.0001959600000000 ] - [ -0.0010028600000000, -0.0002711700000000, 0.0005266100000000 ] - [ 0.0094775800000000, 0.0028703000000000, 0.0023565500000000 ] - [ -0.0000310300000000, -0.0004115700000000, -0.0003157200000000 ] - [ -0.0000167800000000, -0.0004510800000000, -0.0003075800000000 ] - [ 0.0013079800000000, -0.0000289100000000, -0.0003228500000000 ] - [ -0.0100438500000000, 0.0027029500000000, -0.0016825100000000 ] - [ 0.0004946000000000, -0.0005661500000000, -0.0005472200000000 ] - [ -0.0015491800000000, 0.0006346600000000, -0.0087470700000000 ] - [ -0.0004571800000000, 0.0005812100000000, 0.0005715600000000 ] - [ -0.0004201200000000, 0.0005014000000000, 0.0005023900000000 ] - [ 0.0002262000000000, 0.0001627000000000, -0.0001687900000000 ] - [ 0.0018329600000000, 0.0008078500000000, 0.0081553900000000 ] - [ -0.0000383700000000, -0.0004678800000000, 0.0000963500000000 ] - [ 0.0000507900000000, -0.0001282600000000, 0.0004544800000000 ] - [ -0.0003743800000000, 0.0009334000000000, 0.0010167400000000 ] - [ -0.0002096600000000, 0.0004513600000000, 0.0003441600000000 ] - [ 0.0009534800000000, 0.0043439000000000, 0.0004101000000000 ] - [ -0.0004350400000000, 0.0006170600000000, -0.0001410300000000 ] - [ 0.0000479500000000, -0.0001423500000000, 0.0002794100000000 ] - [ 0.0000492500000000, -0.0000886200000000, 0.0003285600000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018159600000000, 0.0019409500000000, 0.0026893700000000 ] - [ 0.0010459200000000, 0.0008629400000000, 0.0012312000000000 ] - [ 0.0006335400000000, 0.0002367500000000, 0.0015196600000000 ] - [ -0.0007988900000000, 0.0003696100000000, 0.0017425100000000 ] - [ -0.0002084800000000, 0.0004073400000000, 0.0000837800000000 ] - [ -0.0002585800000000, 0.0007452600000000, 0.0000195700000000 ] - [ 0.0002972700000000, 0.0007656600000000, -0.0004637100000000 ] - [ 0.0002294300000000, 0.0001082600000000, -0.0001497500000000 ] - [ 0.0026143200000000, 0.0015712900000000, -0.0030009500000000 ] - [ -0.0007638600000000, 0.0003013600000000, -0.0010748400000000 ] - [ -0.0001567600000000, -0.0006559300000000, -0.0003735300000000 ] - [ -0.0001494800000000, -0.0016884700000000, -0.0004611100000000 ] - [ -0.0013590600000000, 0.0001592100000000, -0.0014757800000000 ] - [ 0.0006408100000000, 0.0001109500000000, -0.0018394600000000 ] - [ 0.0001961800000000, -0.0002552100000000, 0.0002886600000000 ] - [ 0.0001641000000000, -0.0002686100000000, 0.0002979400000000 ] - [ 0.0001319600000000, -0.0014563700000000, -0.0003994600000000 ] - [ -0.0003294100000000, -0.0169272600000000, -0.0005977600000000 ] - [ -0.0001389400000000, -0.0000194900000000, 0.0006222200000000 ] - [ 0.0000810400000000, -0.0001386100000000, 0.0005750600000000 ] - [ -0.0001622400000000, -0.0001979300000000, -0.0006187400000000 ] - [ 0.0000573700000000, -0.0003193700000000, -0.0005633500000000 ] - [ -0.0001498800000000, 0.0048118600000000, 0.0005296000000000 ] - [ -0.0000194500000000, 0.0008568400000000, 0.0004227300000000 ] - [ 0.0001719200000000, 0.0000937100000000, 0.0003314700000000 ] - [ 0.0000490800000000, 0.0007841100000000, 0.0003268900000000 ] - [ 0.0003097900000000, -0.0000338300000000, 0.0002602600000000 ] - [ -0.0000644300000000, -0.0000254100000000, 0.0002739500000000 ] - [ -0.0006561400000000, -0.0708394900000000, 0.0071930600000000 ] - [ -0.0001154100000000, 0.0000302300000000, -0.0001039800000000 ] - [ 0.0002189900000000, -0.0001122400000000, -0.0007141800000000 ] - [ -0.0002564100000000, -0.0000987000000000, -0.0005215300000000 ] - [ -0.0003623900000000, 0.0245594100000000, 0.0016357300000000 ] - [ 0.0002838300000000, 0.0000596500000000, 0.0000675600000000 ] - [ -0.0002703900000000, 0.0000807800000000, -0.0000136900000000 ] - [ -0.0000572200000000, 0.0002394700000000, -0.0001712100000000 ] - [ -0.0006902800000000, 0.0500237300000000, -0.0104207100000000 ] - [ -0.0004149200000000, 0.0005259600000000, -0.0001283100000000 ] - [ 0.0015956200000000, 0.0204808800000000, 0.0020546800000000 ] - [ 0.0000995100000000, 0.0002264500000000, -0.0008762100000000 ] - [ -0.0002177100000000, -0.0006006300000000, 0.0008090400000000 ] - [ -0.0001055900000000, -0.0004910200000000, 0.0008206000000000 ] - [ -0.0000351800000000, 0.0000041400000000, 0.0006529900000000 ] - [ 0.0003238900000000, 0.0000990900000000, 0.0002861700000000 ] - [ 0.0003604500000000, -0.0001867700000000, -0.0000087100000000 ] - [ 0.0004335300000000, -0.0002108000000000, -0.0000407900000000 ] - [ 0.0003890400000000, -0.0000581200000000, -0.0000166300000000 ] - [ 0.0004418500000000, -0.0009659400000000, -0.0000072800000000 ] - [ -0.0004530000000000, -0.0001218700000000, 0.0003849200000000 ] - [ -0.0003463500000000, -0.0001520000000000, 0.0002126400000000 ] - [ -0.0002804900000000, 0.0001571000000000, 0.0007018800000000 ] - [ -0.0001281600000000, 0.0000214900000000, 0.0009225700000000 ] - [ -0.0000816600000000, 0.0000430300000000, -0.0005723100000000 ] - [ 0.0003109600000000, 0.0000163900000000, -0.0005717500000000 ] - [ -0.0002500400000000, -0.0002745800000000, -0.0001273100000000 ] - [ -0.0001815200000000, -0.0009834600000000, -0.0001255400000000 ] - [ 0.0000503500000000, -0.0004518300000000, 0.0002052300000000 ] - [ 0.0000386900000000, -0.0004652500000000, 0.0001948500000000 ] - [ -0.0006181200000000, -0.0009586400000000, 0.0011926900000000 ] - [ -0.0004540800000000, -0.0004971400000000, 0.0004692700000000 ] - [ 0.0000632600000000, -0.0001112100000000, -0.0005196600000000 ] - [ -0.0002506500000000, -0.0001787900000000, -0.0006914400000000 ] - [ -0.0000974400000000, -0.0005559400000000, -0.0004776500000000 ] - [ -0.0000782500000000, -0.0001447900000000, -0.0003956600000000 ] - [ 0.0000234200000000, 0.0007795100000000, 0.0004173100000000 ] - [ 0.0000926300000000, 0.0014710200000000, 0.0004110400000000 ] - [ -0.0000468100000000, -0.0000953000000000, -0.0003490000000000 ] - [ -0.0000486100000000, -0.0000615200000000, -0.0003868100000000 ] - [ 0.0007339700000000, -0.0030380900000000, 0.0008030500000000 ] - [ -0.0003440300000000, -0.0000959300000000, 0.0004219200000000 ] - [ -0.0000761000000000, -0.0002286400000000, -0.0000681400000000 ] - [ -0.0002486900000000, -0.0002708600000000, 0.0002017600000000 ] - [ 0.0005978400000000, 0.0004496800000000, -0.0003720500000000 ] - [ 0.0001649700000000, 0.0005492600000000, -0.0000438100000000 ] - [ 0.0002373100000000, -0.0003635300000000, -0.0002969000000000 ] - [ 0.0001881100000000, -0.0003625600000000, -0.0003320300000000 ] - [ 0.0011669600000000, 0.0005294700000000, 0.0002163100000000 ] - [ -0.0094475900000000, -0.0026288300000000, -0.0016335600000000 ] - [ -0.0000249700000000, -0.0003891600000000, -0.0001739800000000 ] - [ -0.0000311400000000, -0.0003454600000000, -0.0001792100000000 ] - [ -0.0013428700000000, 0.0008255100000000, -0.0001481000000000 ] - [ 0.0098823000000000, -0.0019032700000000, 0.0012015500000000 ] - [ 0.0004793000000000, -0.0002109800000000, -0.0002997600000000 ] - [ 0.0024978100000000, -0.0013952700000000, 0.0078145700000000 ] - [ -0.0005129900000000, 0.0001965300000000, 0.0002655700000000 ] - [ -0.0005522200000000, 0.0002761500000000, 0.0003375900000000 ] - [ 0.0001695700000000, 0.0005608400000000, -0.0003598500000000 ] - [ -0.0014568700000000, -0.0000936000000000, -0.0087687200000000 ] - [ 0.0001637300000000, 0.0002628500000000, 0.0006632700000000 ] - [ 0.0000835500000000, -0.0000630100000000, 0.0003123700000000 ] - [ -0.0000304000000000, -0.0002108700000000, -0.0004698500000000 ] - [ -0.0001882600000000, 0.0002698900000000, 0.0001866000000000 ] - [ -0.0010738700000000, -0.0040153300000000, -0.0011307200000000 ] - [ 0.0002856000000000, -0.0003594900000000, -0.0005880500000000 ] - [ 0.0001014400000000, -0.0001177000000000, 0.0004500600000000 ] - [ 0.0001010300000000, -0.0001695000000000, 0.0004018200000000 ]- atom: 37 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0059707200000000, -0.0052730500000000, -0.0028299000000000 ] - [ -0.0023094600000000, -0.0008218400000000, 0.0002227200000000 ] - [ -0.0036847300000000, -0.0047027800000000, 0.0043636500000000 ] - [ 0.0043164500000000, -0.0054794300000000, 0.0041265300000000 ] - [ 0.0000554900000000, 0.0002425200000000, -0.0018929800000000 ] - [ -0.0005418600000000, 0.0002523300000000, -0.0028475900000000 ] - [ -0.0003179100000000, 0.0012318700000000, -0.0126121500000000 ] - [ 0.0000887600000000, 0.0001835300000000, -0.0015814700000000 ] - [ 0.0063084200000000, 0.0058604400000000, -0.0035181400000000 ] - [ -0.0023268100000000, 0.0009897600000000, -0.0000110100000000 ] - [ 0.0003561500000000, -0.0003770400000000, -0.0032479200000000 ] - [ -0.0013251000000000, 0.0000305700000000, -0.0075438700000000 ] - [ -0.0038119000000000, 0.0046971900000000, 0.0052890700000000 ] - [ 0.0042714300000000, 0.0056007900000000, 0.0052692400000000 ] - [ 0.0003413000000000, -0.0001948700000000, -0.0006834500000000 ] - [ 0.0001198900000000, -0.0001688400000000, -0.0006166800000000 ] - [ 0.0040012800000000, 0.0000942600000000, 0.0021796300000000 ] - [ 0.0053527500000000, 0.0002736300000000, 0.0252962000000000 ] - [ 0.0009702400000000, -0.0000607100000000, -0.0044602900000000 ] - [ -0.0018392400000000, -0.0003110400000000, -0.0032699300000000 ] - [ -0.0021177000000000, -0.0015322200000000, -0.0041858600000000 ] - [ 0.0013544600000000, -0.0018425400000000, -0.0047089900000000 ] - [ -0.0013092100000000, 0.0005487900000000, 0.0076286300000000 ] - [ 0.0004212900000000, 0.0002027900000000, 0.0037886700000000 ] - [ 0.0015813200000000, 0.0001364600000000, 0.0026428300000000 ] - [ -0.0018210600000000, 0.0001889200000000, 0.0024044800000000 ] - [ -0.0031895800000000, -0.0000252800000000, -0.0035371200000000 ] - [ 0.0031913000000000, -0.0000556900000000, -0.0038416400000000 ] - [ -0.0360241000000000, -0.0090747400000000, 0.3759083600000000 ] - [ 0.0003306000000000, -0.0000699800000000, 0.0050749700000000 ] - [ 0.0017607800000000, -0.0001850700000000, -0.0049532700000000 ] - [ -0.0017520400000000, -0.0002054800000000, -0.0037448900000000 ] - [ -0.0487244600000000, -0.0025013600000000, 0.0778331800000000 ] - [ 0.0014103000000000, -0.0000381100000000, -0.0016243700000000 ] - [ 0.0009593300000000, -0.0000887700000000, 0.0004863900000000 ] - [ -0.0030521600000000, -0.0018322900000000, 0.0023371200000000 ] - [ 0.0081173700000000, 0.0120934100000000, -0.5580525300000000 ] - [ -0.0009554700000000, 0.0002667500000000, -0.0037740900000000 ] - [ 0.0459536500000000, -0.0027070300000000, 0.0557590800000000 ] - [ -0.0017917300000000, 0.0000173500000000, -0.0026346700000000 ] - [ -0.0020856600000000, -0.0001331300000000, 0.0001622400000000 ] - [ 0.0005267700000000, -0.0000990500000000, 0.0006369200000000 ] - [ -0.0018397100000000, -0.0004928700000000, 0.0029549100000000 ] - [ 0.0006046100000000, 0.0000960300000000, 0.0012415100000000 ] - [ 0.0014641400000000, -0.0001464800000000, 0.0031574200000000 ] - [ 0.0000818600000000, -0.0000971500000000, 0.0035066700000000 ] - [ -0.0001639400000000, 0.0001225800000000, -0.0019700000000000 ] - [ 0.0005772500000000, 0.0001219400000000, -0.0022653200000000 ] - [ -0.0005670700000000, 0.0002583000000000, 0.0039397600000000 ] - [ 0.0003937200000000, 0.0000599100000000, 0.0028763000000000 ] - [ 0.0027059200000000, -0.0022366700000000, 0.0032226600000000 ] - [ -0.0010499600000000, -0.0001693700000000, 0.0015657100000000 ] - [ -0.0002909400000000, -0.0000429500000000, 0.0008721500000000 ] - [ 0.0020806800000000, -0.0004010800000000, 0.0010514800000000 ] - [ -0.0003782600000000, -0.0000952900000000, -0.0004419100000000 ] - [ 0.0011338700000000, -0.0001758100000000, -0.0007952900000000 ] - [ -0.0001045600000000, -0.0005041500000000, 0.0016347000000000 ] - [ 0.0003219200000000, -0.0003808000000000, 0.0015465900000000 ] - [ 0.0001161200000000, -0.0021012800000000, -0.0018458700000000 ] - [ 0.0001501400000000, -0.0008343800000000, -0.0003686400000000 ] - [ -0.0005464700000000, -0.0000341500000000, 0.0009586800000000 ] - [ 0.0011104400000000, 0.0004889700000000, 0.0013482100000000 ] - [ -0.0003816200000000, -0.0000247300000000, -0.0020609500000000 ] - [ -0.0007016300000000, 0.0000337300000000, -0.0010440200000000 ] - [ -0.0027188300000000, 0.0000883200000000, 0.0012845600000000 ] - [ 0.0035938100000000, 0.0000318200000000, 0.0016012700000000 ] - [ -0.0007155000000000, -0.0008481200000000, 0.0025503500000000 ] - [ 0.0004427700000000, -0.0000018600000000, 0.0012388400000000 ] - [ -0.0007132800000000, 0.0021242100000000, -0.0028542700000000 ] - [ 0.0000936700000000, 0.0005264700000000, -0.0015675800000000 ] - [ -0.0014405100000000, 0.0002470400000000, 0.0027546800000000 ] - [ 0.0002147900000000, -0.0002112600000000, 0.0013672700000000 ] - [ 0.0018117500000000, 0.0010218700000000, 0.0009273400000000 ] - [ -0.0022441000000000, 0.0024898300000000, 0.0029691400000000 ] - [ 0.0007290300000000, 0.0000348100000000, 0.0002855900000000 ] - [ -0.0001154700000000, 0.0001072600000000, 0.0004971500000000 ] - [ -0.0018346800000000, 0.0005644400000000, -0.0018912000000000 ] - [ 0.0061692100000000, 0.0028897000000000, -0.0046165300000000 ] - [ 0.0007812300000000, 0.0001352300000000, 0.0019946200000000 ] - [ -0.0005827000000000, -0.0006083000000000, 0.0018755500000000 ] - [ -0.0021644000000000, -0.0000155300000000, -0.0026188000000000 ] - [ 0.0053814100000000, -0.0016686000000000, -0.0058960100000000 ] - [ 0.0000502300000000, -0.0004509800000000, -0.0005417500000000 ] - [ 0.0055096600000000, -0.0102182200000000, 0.0160616700000000 ] - [ -0.0008397400000000, 0.0004710900000000, 0.0019234300000000 ] - [ -0.0001191500000000, 0.0004217500000000, 0.0013549400000000 ] - [ -0.0001316500000000, 0.0003787300000000, -0.0004323700000000 ] - [ 0.0044948900000000, 0.0107437700000000, 0.0188569000000000 ] - [ 0.0011069800000000, 0.0021730900000000, 0.0022913700000000 ] - [ -0.0005110100000000, 0.0002331400000000, 0.0009376200000000 ] - [ 0.0004928700000000, 0.0016451400000000, -0.0018513700000000 ] - [ 0.0004712600000000, 0.0008318400000000, -0.0005653600000000 ] - [ -0.0008577700000000, -0.0019155800000000, -0.0035974200000000 ] - [ -0.0000279200000000, 0.0000084700000000, -0.0021117600000000 ] - [ 0.0002381500000000, 0.0002250900000000, 0.0017962100000000 ] - [ -0.0000614000000000, -0.0000299800000000, 0.0016540800000000 ]- atom: 37 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0056074300000000, 0.0060330300000000, 0.0034306000000000 ] - [ 0.0026160300000000, 0.0015652500000000, 0.0003725600000000 ] - [ 0.0033367700000000, 0.0054304900000000, -0.0049338200000000 ] - [ -0.0046286300000000, 0.0061910700000000, -0.0046607900000000 ] - [ -0.0005294400000000, 0.0001138800000000, 0.0021469300000000 ] - [ 0.0000744500000000, 0.0001029000000000, 0.0030954500000000 ] - [ 0.0007716400000000, -0.0008679400000000, 0.0122233200000000 ] - [ 0.0003831600000000, 0.0001729700000000, 0.0013070600000000 ] - [ -0.0058148600000000, -0.0062167600000000, 0.0032228700000000 ] - [ 0.0027645900000000, -0.0013277700000000, -0.0002867500000000 ] - [ -0.0006990800000000, -0.0003842800000000, 0.0026039200000000 ] - [ 0.0009921000000000, -0.0007897000000000, 0.0068854400000000 ] - [ 0.0033317100000000, -0.0050225300000000, -0.0049628100000000 ] - [ -0.0047168300000000, -0.0059093000000000, -0.0049028300000000 ] - [ -0.0000018900000000, -0.0005643000000000, 0.0013115300000000 ] - [ 0.0002191500000000, -0.0005907900000000, 0.0012376500000000 ] - [ -0.0039060100000000, 0.0001659500000000, -0.0029176500000000 ] - [ -0.0064672000000000, -0.0000040800000000, -0.0268119200000000 ] - [ -0.0010567500000000, -0.0001953700000000, 0.0051748500000000 ] - [ 0.0017414100000000, 0.0000505000000000, 0.0039852400000000 ] - [ 0.0021904200000000, 0.0012581400000000, 0.0034192300000000 ] - [ -0.0012510600000000, 0.0015626000000000, 0.0039408900000000 ] - [ 0.0012162800000000, -0.0002840700000000, -0.0068275400000000 ] - [ -0.0005171200000000, 0.0000596800000000, -0.0030127600000000 ] - [ -0.0013886100000000, 0.0000215100000000, -0.0021175800000000 ] - [ 0.0020224300000000, -0.0000317700000000, -0.0019090800000000 ] - [ 0.0033605800000000, -0.0001317300000000, 0.0040273600000000 ] - [ -0.0029670500000000, -0.0001019200000000, 0.0043323700000000 ] - [ 0.0356339100000000, 0.0083288200000000, -0.3455202500000000 ] - [ -0.0005308500000000, 0.0002263600000000, -0.0055401500000000 ] - [ -0.0019485100000000, 0.0000268600000000, 0.0044103100000000 ] - [ 0.0015487000000000, 0.0000472200000000, 0.0032035800000000 ] - [ 0.0478765900000000, 0.0022478700000000, -0.0755937400000000 ] - [ -0.0009417400000000, -0.0001375500000000, 0.0018659700000000 ] - [ -0.0014050300000000, 0.0002634500000000, -0.0007396700000000 ] - [ 0.0025745500000000, 0.0019875500000000, -0.0025755800000000 ] - [ -0.0074029600000000, -0.0106903400000000, 0.5250791600000000 ] - [ 0.0001358700000000, 0.0000722000000000, 0.0036733700000000 ] - [ -0.0447480600000000, 0.0025823000000000, -0.0564739500000000 ] - [ 0.0020388600000000, -0.0000714700000000, 0.0009703600000000 ] - [ 0.0018238800000000, 0.0000788000000000, 0.0014847400000000 ] - [ -0.0007880800000000, 0.0000443100000000, 0.0010152900000000 ] - [ 0.0022807000000000, 0.0006679000000000, -0.0026805500000000 ] - [ -0.0001503500000000, 0.0000810200000000, -0.0009701400000000 ] - [ -0.0006329200000000, -0.0001912100000000, -0.0030650500000000 ] - [ 0.0007378000000000, -0.0002400100000000, -0.0034142500000000 ] - [ 0.0009871300000000, 0.0002148900000000, 0.0020331900000000 ] - [ 0.0002441900000000, 0.0002163800000000, 0.0023428700000000 ] - [ -0.0002561000000000, -0.0005924300000000, -0.0039855200000000 ] - [ -0.0012124600000000, -0.0003957800000000, -0.0029245100000000 ] - [ -0.0029430400000000, 0.0022717100000000, -0.0015593900000000 ] - [ 0.0007813900000000, 0.0002223900000000, 0.0000814100000000 ] - [ 0.0005520200000000, 0.0000984500000000, -0.0025051100000000 ] - [ -0.0018129600000000, 0.0004544400000000, -0.0026804000000000 ] - [ -0.0000658600000000, -0.0000814600000000, 0.0001825700000000 ] - [ -0.0015907800000000, 0.0000000000000000, 0.0005472800000000 ] - [ 0.0001557800000000, -0.0002954500000000, -0.0011461100000000 ] - [ -0.0002692200000000, -0.0004172100000000, -0.0010572800000000 ] - [ -0.0010790000000000, 0.0013168000000000, 0.0026628400000000 ] - [ -0.0011113000000000, 0.0000527900000000, 0.0012082200000000 ] - [ 0.0004181500000000, -0.0001562100000000, -0.0017111300000000 ] - [ -0.0012355000000000, -0.0006766500000000, -0.0020967100000000 ] - [ 0.0002457900000000, 0.0002119300000000, 0.0012798900000000 ] - [ 0.0005692900000000, 0.0001537600000000, 0.0002714100000000 ] - [ 0.0028479400000000, 0.0001005600000000, -0.0005207500000000 ] - [ -0.0034516400000000, 0.0001557200000000, -0.0008045000000000 ] - [ 0.0005625300000000, 0.0005857100000000, -0.0032654100000000 ] - [ -0.0005906800000000, -0.0002561400000000, -0.0019617800000000 ] - [ 0.0007489700000000, -0.0013074100000000, 0.0033193500000000 ] - [ -0.0000337200000000, 0.0002745300000000, 0.0020261100000000 ] - [ 0.0010410600000000, -0.0009685100000000, -0.0022117000000000 ] - [ -0.0006038700000000, -0.0005124100000000, -0.0008258500000000 ] - [ -0.0008306200000000, -0.0002380700000000, -0.0017632400000000 ] - [ 0.0031858500000000, -0.0016903200000000, -0.0037816500000000 ] - [ -0.0003300500000000, -0.0007566500000000, -0.0008086800000000 ] - [ 0.0005092600000000, -0.0008264600000000, -0.0010216500000000 ] - [ 0.0019754300000000, -0.0003060100000000, 0.0026203800000000 ] - [ -0.0058287400000000, -0.0025098800000000, 0.0053792300000000 ] - [ -0.0008243900000000, -0.0009236600000000, -0.0024541600000000 ] - [ 0.0005259100000000, -0.0001872000000000, -0.0023380500000000 ] - [ 0.0021017700000000, 0.0008128400000000, 0.0021356600000000 ] - [ -0.0052276500000000, 0.0023455800000000, 0.0054305900000000 ] - [ 0.0009249900000000, -0.0003235000000000, -0.0003015500000000 ] - [ -0.0046295100000000, 0.0095584200000000, -0.0170571500000000 ] - [ -0.0001342100000000, 0.0003043000000000, -0.0010656000000000 ] - [ -0.0008486800000000, 0.0003556100000000, -0.0004961300000000 ] - [ 0.0005301800000000, 0.0003425600000000, -0.0000934000000000 ] - [ -0.0041937400000000, -0.0101581800000000, -0.0195865700000000 ] - [ -0.0009709100000000, -0.0023416900000000, -0.0015142500000000 ] - [ 0.0006340800000000, -0.0004181800000000, -0.0001717000000000 ] - [ -0.0008809900000000, -0.0009154000000000, 0.0023517600000000 ] - [ -0.0008581300000000, -0.0001025700000000, 0.0010843900000000 ] - [ 0.0006906000000000, 0.0021449800000000, 0.0028497700000000 ] - [ -0.0001123000000000, 0.0002431800000000, 0.0013579300000000 ] - [ -0.0000867800000000, -0.0004818100000000, -0.0010495100000000 ] - [ 0.0002093600000000, -0.0002280900000000, -0.0009085700000000 ]- atom: 39 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0029754800000000, -0.0007407400000000, 0.0010621200000000 ] - [ -0.0019366300000000, -0.0003772600000000, -0.0009995200000000 ] - [ 0.0021458200000000, 0.0004384400000000, 0.0004909000000000 ] - [ -0.0067645800000000, 0.0080566600000000, 0.0012287600000000 ] - [ 0.0001737900000000, 0.0002541500000000, -0.0002791000000000 ] - [ -0.0006168000000000, 0.0001627000000000, -0.0006438500000000 ] - [ 0.0126053700000000, -0.0002555600000000, 0.0007322700000000 ] - [ -0.0038878100000000, 0.0002834000000000, -0.0014593500000000 ] - [ 0.0032434600000000, 0.0010123900000000, 0.0005464700000000 ] - [ -0.0019964800000000, 0.0006098700000000, -0.0014815200000000 ] - [ 0.0003129200000000, -0.0003766700000000, -0.0004490800000000 ] - [ -0.0006907200000000, -0.0002577900000000, -0.0022456400000000 ] - [ 0.0034467000000000, -0.0029062100000000, 0.0008322800000000 ] - [ -0.0069284700000000, -0.0078881300000000, 0.0012484100000000 ] - [ 0.0034751100000000, -0.0005200200000000, 0.0004682700000000 ] - [ -0.0026947500000000, -0.0002964200000000, -0.0006616900000000 ] - [ -0.0020661200000000, 0.0000735000000000, 0.0034586000000000 ] - [ -0.0089486500000000, 0.0001142600000000, -0.0131393800000000 ] - [ 0.0008558700000000, -0.0007131300000000, 0.0006473000000000 ] - [ -0.0015156100000000, -0.0001498400000000, -0.0018247200000000 ] - [ 0.0011129100000000, -0.0016148700000000, -0.0048846400000000 ] - [ -0.0015276200000000, 0.0012728000000000, 0.0010826300000000 ] - [ 0.0054943900000000, 0.0001826200000000, 0.0011929000000000 ] - [ -0.0047049800000000, 0.0002652000000000, 0.0024212600000000 ] - [ -0.0004481100000000, 0.0001164700000000, 0.0026493000000000 ] - [ 0.0006458000000000, 0.0000923500000000, -0.0006352200000000 ] - [ -0.0009590900000000, 0.0001636800000000, -0.0038918600000000 ] - [ -0.0023542300000000, -0.0000733300000000, 0.0013498200000000 ] - [ 0.2670031800000000, -0.0049123300000000, 0.1075031700000000 ] - [ -0.0108860100000000, 0.0001571100000000, 0.0020164200000000 ] - [ 0.0007815100000000, -0.0000982200000000, 0.0001239400000000 ] - [ -0.0009245500000000, -0.0000932400000000, -0.0024570300000000 ] - [ 0.1074482000000000, -0.0015687600000000, 0.0040061000000000 ] - [ 0.0103681300000000, -0.0000201100000000, -0.0025144800000000 ] - [ 0.0003976900000000, -0.0003793200000000, 0.0019083100000000 ] - [ 0.0008410800000000, 0.0014019100000000, -0.0019008000000000 ] - [ 0.0075328500000000, -0.0013887400000000, 0.0490877400000000 ] - [ 0.0020320100000000, 0.0002023600000000, -0.0013589900000000 ] - [ -0.3964048000000000, 0.0102033000000000, -0.1590899600000000 ] - [ 0.0082827900000000, -0.0001022000000000, 0.0004582900000000 ] - [ -0.0005406500000000, -0.0000714800000000, 0.0001520800000000 ] - [ -0.0001307400000000, -0.0000415600000000, 0.0011263500000000 ] - [ -0.0002877100000000, -0.0000827600000000, 0.0003146300000000 ] - [ 0.0003617300000000, 0.0000759700000000, 0.0008242300000000 ] - [ 0.0009383700000000, -0.0000245400000000, 0.0030985000000000 ] - [ 0.0007455300000000, -0.0001652800000000, -0.0008205800000000 ] - [ 0.0010151600000000, 0.0000734000000000, -0.0018344500000000 ] - [ -0.0003320000000000, 0.0001963700000000, 0.0005172500000000 ] - [ -0.0007104600000000, -0.0003794000000000, -0.0005539900000000 ] - [ 0.0000595900000000, 0.0000179500000000, 0.0021144500000000 ] - [ -0.0007144100000000, -0.0022819800000000, 0.0045361000000000 ] - [ 0.0016965300000000, 0.0000633100000000, 0.0005244100000000 ] - [ -0.0005847700000000, 0.0000002200000000, -0.0010986500000000 ] - [ 0.0011891700000000, -0.0001225300000000, 0.0002510500000000 ] - [ 0.0007889600000000, -0.0001054500000000, -0.0008040000000000 ] - [ -0.0008901500000000, -0.0001088300000000, 0.0000976500000000 ] - [ -0.0005160000000000, -0.0001583100000000, 0.0003604100000000 ] - [ 0.0005753200000000, -0.0005180000000000, 0.0008720000000000 ] - [ -0.0030126600000000, 0.0011144600000000, 0.0001742300000000 ] - [ 0.0034631300000000, -0.0016130000000000, 0.0001748900000000 ] - [ -0.0004173500000000, 0.0000137000000000, -0.0005036500000000 ] - [ 0.0004118400000000, 0.0000817900000000, 0.0003338500000000 ] - [ -0.0032655400000000, -0.0000665500000000, -0.0008305500000000 ] - [ 0.0022319000000000, 0.0001227500000000, -0.0005275700000000 ] - [ -0.0008385600000000, 0.0001268200000000, -0.0005093800000000 ] - [ 0.0011938300000000, 0.0000618200000000, 0.0018505200000000 ] - [ -0.0003122000000000, 0.0002284100000000, -0.0012013300000000 ] - [ 0.0005513200000000, 0.0000117300000000, 0.0004113500000000 ] - [ -0.0021467800000000, -0.0000114900000000, -0.0015614800000000 ] - [ 0.0016712800000000, 0.0010447800000000, 0.0002992500000000 ] - [ -0.0005845700000000, -0.0002183400000000, 0.0003852700000000 ] - [ 0.0000746700000000, -0.0002491800000000, 0.0009228200000000 ] - [ 0.0026997800000000, 0.0018980400000000, 0.0036583000000000 ] - [ 0.0017245800000000, -0.0006918200000000, -0.0030811000000000 ] - [ 0.0006926300000000, 0.0004232200000000, 0.0012358500000000 ] - [ -0.0000809200000000, -0.0010546000000000, -0.0008782300000000 ] - [ 0.0007914900000000, 0.0000504400000000, -0.0030682100000000 ] - [ 0.0030820100000000, 0.0024755500000000, 0.0028027000000000 ] - [ -0.0011583100000000, -0.0009494100000000, 0.0004838300000000 ] - [ 0.0006731700000000, -0.0003175000000000, -0.0002485200000000 ] - [ 0.0008014600000000, 0.0007217400000000, -0.0039178900000000 ] - [ 0.0032160200000000, -0.0019661600000000, 0.0023524600000000 ] - [ 0.0011582000000000, -0.0002072000000000, -0.0010379000000000 ] - [ 0.0003197600000000, -0.0019917400000000, 0.0027210700000000 ] - [ -0.0007173100000000, 0.0004567400000000, 0.0004274300000000 ] - [ -0.0002273300000000, 0.0003791800000000, 0.0010136300000000 ] - [ 0.0009041200000000, 0.0001738400000000, -0.0008502200000000 ] - [ -0.0001681400000000, 0.0019254400000000, 0.0030106900000000 ] - [ -0.0026024500000000, 0.0012496700000000, 0.0025515400000000 ] - [ 0.0016235300000000, -0.0002629900000000, 0.0001739200000000 ] - [ -0.0024710200000000, -0.0011248300000000, 0.0000301000000000 ] - [ 0.0036222000000000, 0.0018444400000000, -0.0002026400000000 ] - [ -0.0022439900000000, 0.0003721500000000, -0.0021978900000000 ] - [ 0.0015719100000000, -0.0005326600000000, -0.0003102000000000 ] - [ -0.0003082000000000, 0.0000852800000000, 0.0011667400000000 ] - [ 0.0004939400000000, -0.0003018900000000, 0.0004704400000000 ]- atom: 39 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0026311700000000, 0.0015033600000000, -0.0004374600000000 ] - [ 0.0022722200000000, 0.0011402000000000, 0.0016342200000000 ] - [ -0.0022348200000000, 0.0006580700000000, -0.0011304000000000 ] - [ 0.0064350900000000, -0.0073605700000000, -0.0018589500000000 ] - [ -0.0006446400000000, 0.0001020600000000, 0.0005600200000000 ] - [ 0.0001444800000000, 0.0001937300000000, 0.0009138300000000 ] - [ -0.0122484400000000, 0.0005929900000000, -0.0008194400000000 ] - [ 0.0043632700000000, 0.0000772200000000, 0.0011699200000000 ] - [ -0.0027662000000000, -0.0013697200000000, -0.0008161700000000 ] - [ 0.0024646600000000, -0.0009677900000000, 0.0012237900000000 ] - [ -0.0006493100000000, -0.0003841100000000, -0.0001582100000000 ] - [ 0.0003495300000000, -0.0005038500000000, 0.0016219900000000 ] - [ -0.0036277800000000, 0.0021515200000000, -0.0006027700000000 ] - [ 0.0064636100000000, 0.0075976400000000, -0.0009819200000000 ] - [ -0.0031525400000000, -0.0002395800000000, 0.0001591400000000 ] - [ 0.0030388600000000, -0.0004682500000000, 0.0012701300000000 ] - [ 0.0021612400000000, 0.0001860500000000, -0.0041790200000000 ] - [ 0.0089895800000000, 0.0001456500000000, 0.0123852100000000 ] - [ -0.0009587500000000, 0.0004441000000000, 0.0001016700000000 ] - [ 0.0014363000000000, -0.0001110800000000, 0.0025747000000000 ] - [ -0.0009761200000000, 0.0013565000000000, 0.0041587200000000 ] - [ 0.0016069400000000, -0.0015359900000000, -0.0018368700000000 ] - [ -0.0055824100000000, 0.0000733700000000, -0.0004630300000000 ] - [ 0.0046221200000000, -0.0000036200000000, -0.0016712900000000 ] - [ 0.0006486000000000, 0.0000415500000000, -0.0021178300000000 ] - [ -0.0004564500000000, 0.0000653700000000, 0.0011491500000000 ] - [ 0.0012236600000000, -0.0003148200000000, 0.0044151600000000 ] - [ 0.0025285800000000, -0.0000830700000000, -0.0008426700000000 ] - [ -0.2852246900000000, 0.0056542500000000, -0.1207445900000000 ] - [ 0.0107011600000000, -0.0000002200000000, -0.0025100500000000 ] - [ -0.0009812300000000, -0.0000590500000000, -0.0006336700000000 ] - [ 0.0007323500000000, -0.0000641400000000, 0.0019467300000000 ] - [ -0.1099700500000000, 0.0014513500000000, -0.0039829900000000 ] - [ -0.0098867800000000, -0.0001550500000000, 0.0027771100000000 ] - [ -0.0008852000000000, 0.0005538600000000, -0.0021510300000000 ] - [ -0.0012715900000000, -0.0012238400000000, 0.0016494000000000 ] - [ -0.0079587700000000, 0.0017329700000000, -0.0492647200000000 ] - [ -0.0028602500000000, 0.0001358900000000, 0.0012716400000000 ] - [ 0.4168429100000000, -0.0108285400000000, 0.1704531300000000 ] - [ -0.0080404600000000, 0.0000462700000000, -0.0021052200000000 ] - [ 0.0002759100000000, 0.0000163600000000, 0.0014871400000000 ] - [ -0.0001256700000000, -0.0000135100000000, 0.0005180100000000 ] - [ 0.0007427200000000, 0.0002591300000000, -0.0000582500000000 ] - [ 0.0000882400000000, 0.0000999100000000, -0.0005699100000000 ] - [ -0.0001320000000000, -0.0003139400000000, -0.0030464100000000 ] - [ 0.0000831700000000, -0.0001710700000000, 0.0008980900000000 ] - [ -0.0001958000000000, 0.0002635600000000, 0.0018908100000000 ] - [ 0.0011603600000000, 0.0001418600000000, -0.0004414400000000 ] - [ -0.0001078700000000, 0.0000403600000000, 0.0004818700000000 ] - [ -0.0008879100000000, -0.0003553100000000, -0.0021866700000000 ] - [ 0.0003917800000000, 0.0023645500000000, -0.0029207400000000 ] - [ -0.0019464800000000, -0.0000112200000000, 0.0011322600000000 ] - [ 0.0008454600000000, 0.0000540700000000, -0.0005479000000000 ] - [ -0.0009334300000000, 0.0001774500000000, -0.0018989800000000 ] - [ -0.0012431200000000, -0.0000710400000000, 0.0005397400000000 ] - [ 0.0004412200000000, -0.0000676500000000, -0.0003562900000000 ] - [ 0.0005681100000000, -0.0006387300000000, 0.0001146200000000 ] - [ -0.0005267600000000, -0.0002775600000000, -0.0003918500000000 ] - [ 0.0020696500000000, -0.0018730400000000, 0.0006794200000000 ] - [ -0.0044277200000000, 0.0008370000000000, 0.0006762100000000 ] - [ 0.0002871900000000, -0.0002012000000000, -0.0002657800000000 ] - [ -0.0005390000000000, -0.0002710400000000, -0.0010977200000000 ] - [ 0.0031140300000000, 0.0002539100000000, 0.0000705100000000 ] - [ -0.0023649400000000, 0.0000654300000000, -0.0002317400000000 ] - [ 0.0009627000000000, 0.0000626900000000, 0.0012677900000000 ] - [ -0.0010627500000000, 0.0001274300000000, -0.0010901700000000 ] - [ 0.0001670700000000, -0.0004746000000000, 0.0004405700000000 ] - [ -0.0007039300000000, -0.0002723600000000, -0.0011441700000000 ] - [ 0.0021878800000000, 0.0008125700000000, 0.0020455800000000 ] - [ -0.0016217800000000, -0.0002526800000000, 0.0001703700000000 ] - [ 0.0001927700000000, -0.0005057500000000, 0.0001405900000000 ] - [ -0.0004690000000000, -0.0004755200000000, -0.0003983000000000 ] - [ -0.0017293900000000, -0.0011044100000000, -0.0044739400000000 ] - [ -0.0007394500000000, 0.0014644600000000, 0.0022555900000000 ] - [ -0.0003106200000000, -0.0011519100000000, -0.0017549300000000 ] - [ 0.0004848400000000, 0.0003343600000000, 0.0003565700000000 ] - [ -0.0006437100000000, 0.0002021300000000, 0.0037902300000000 ] - [ -0.0029179800000000, -0.0022136300000000, -0.0020846200000000 ] - [ 0.0010962800000000, 0.0001540200000000, -0.0009750200000000 ] - [ -0.0007228500000000, -0.0004779400000000, -0.0002247700000000 ] - [ -0.0008537600000000, 0.0000846100000000, 0.0034250900000000 ] - [ -0.0032511700000000, 0.0027595700000000, -0.0028510100000000 ] - [ -0.0001882800000000, -0.0005695100000000, 0.0001854700000000 ] - [ 0.0006525400000000, 0.0012127800000000, -0.0035646600000000 ] - [ -0.0002533800000000, 0.0003206500000000, 0.0004176400000000 ] - [ -0.0007442100000000, 0.0003985300000000, -0.0001704600000000 ] - [ -0.0005115100000000, 0.0005503400000000, 0.0003159500000000 ] - [ 0.0005622700000000, -0.0011990000000000, -0.0035356000000000 ] - [ 0.0027009300000000, -0.0014927300000000, -0.0018413000000000 ] - [ -0.0014945200000000, 0.0000754500000000, 0.0005993800000000 ] - [ 0.0020963500000000, 0.0018464700000000, 0.0005008900000000 ] - [ -0.0040136100000000, -0.0011209300000000, 0.0007325500000000 ] - [ 0.0020860600000000, -0.0001206200000000, 0.0014690700000000 ] - [ -0.0017231300000000, 0.0007945500000000, -0.0004334500000000 ] - [ 0.0004531900000000, -0.0003514700000000, -0.0004420500000000 ] - [ -0.0003424700000000, 0.0000435300000000, 0.0002687300000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001339100000000, 0.0004183300000000, -0.0007751900000000 ] - [ 0.0003894400000000, 0.0004400800000000, 0.0004637000000000 ] - [ 0.0020765000000000, 0.0086252100000000, -0.0005909800000000 ] - [ 0.0003201700000000, 0.0006925700000000, -0.0000501300000000 ] - [ -0.0002745600000000, -0.0001758900000000, 0.0000904800000000 ] - [ -0.0002015100000000, 0.0000334900000000, 0.0002039900000000 ] - [ 0.0000878400000000, 0.0053241700000000, -0.0001873300000000 ] - [ 0.0002254200000000, 0.0012187300000000, -0.0001696600000000 ] - [ 0.0003949700000000, -0.0003829100000000, 0.0011314900000000 ] - [ 0.0001269100000000, -0.0002113600000000, -0.0001511900000000 ] - [ -0.0002175100000000, -0.0000175000000000, -0.0003189400000000 ] - [ -0.0001241800000000, -0.0002929000000000, -0.0001771800000000 ] - [ -0.0039866400000000, 0.0104379100000000, 0.0006294500000000 ] - [ -0.0006065400000000, 0.0005228300000000, -0.0003203600000000 ] - [ 0.0000831900000000, -0.0032078500000000, 0.0005239600000000 ] - [ 0.0002093400000000, -0.0016595700000000, 0.0002871100000000 ] - [ -0.0000757400000000, 0.0024402000000000, -0.0002892400000000 ] - [ 0.0006077200000000, -0.0022710000000000, 0.0001464500000000 ] - [ -0.0001253500000000, -0.0001019700000000, 0.0005183000000000 ] - [ 0.0006916300000000, -0.0001568500000000, 0.0012701500000000 ] - [ -0.0014796600000000, -0.0002452700000000, -0.0033205800000000 ] - [ 0.0001737100000000, -0.0001013800000000, -0.0005079200000000 ] - [ -0.0000223300000000, -0.0049865700000000, 0.0000825500000000 ] - [ -0.0000031100000000, -0.0019930100000000, 0.0003839400000000 ] - [ 0.0000662400000000, 0.0000406700000000, 0.0001277700000000 ] - [ 0.0001057700000000, 0.0001362300000000, 0.0002131500000000 ] - [ 0.0032495000000000, 0.0003227600000000, 0.0028671600000000 ] - [ -0.0001414700000000, -0.0000768500000000, 0.0004230700000000 ] - [ -0.0034172400000000, 0.0801960500000000, -0.0030460200000000 ] - [ -0.0000241400000000, 0.0000606300000000, -0.0003195600000000 ] - [ -0.0000577100000000, -0.0000851400000000, -0.0003089500000000 ] - [ -0.0001608400000000, -0.0000862100000000, -0.0006846600000000 ] - [ -0.0014869000000000, -0.0265407000000000, 0.0002666400000000 ] - [ 0.0001410400000000, -0.0022805900000000, 0.0001077900000000 ] - [ -0.0017122300000000, 0.0000505400000000, -0.0011631900000000 ] - [ 0.0000962300000000, 0.0000392300000000, -0.0002973200000000 ] - [ -0.0027386300000000, -0.0203425100000000, -0.0032497100000000 ] - [ -0.0004040400000000, -0.0000848000000000, 0.0000077400000000 ] - [ 0.0089038400000000, -0.0637723700000000, 0.0036432700000000 ] - [ 0.0000749400000000, 0.0000168300000000, -0.0007987800000000 ] - [ -0.0000860900000000, 0.0002124900000000, 0.0008626700000000 ] - [ -0.0001161200000000, -0.0000749000000000, 0.0008346900000000 ] - [ 0.0001275300000000, 0.0000939400000000, 0.0001005000000000 ] - [ 0.0001780300000000, 0.0001018700000000, 0.0002755800000000 ] - [ -0.0004571900000000, -0.0002896000000000, -0.0025241200000000 ] - [ 0.0004483500000000, -0.0001619800000000, -0.0001581900000000 ] - [ 0.0003818200000000, 0.0007422500000000, 0.0001262400000000 ] - [ 0.0004381300000000, 0.0006323600000000, 0.0001136000000000 ] - [ -0.0004745500000000, -0.0001858800000000, 0.0000213600000000 ] - [ -0.0002610200000000, -0.0001576500000000, 0.0004574100000000 ] - [ -0.0024396500000000, 0.0024843100000000, -0.0033717200000000 ] - [ -0.0000850800000000, -0.0000017900000000, 0.0008492900000000 ] - [ 0.0001517700000000, 0.0000338100000000, -0.0008510800000000 ] - [ 0.0002815500000000, 0.0000464300000000, -0.0006709100000000 ] - [ -0.0002423800000000, -0.0000952500000000, -0.0000941800000000 ] - [ -0.0002441200000000, 0.0001332100000000, -0.0001122900000000 ] - [ 0.0000721200000000, -0.0002531300000000, 0.0001780500000000 ] - [ -0.0002016700000000, -0.0001693200000000, 0.0001231200000000 ] - [ 0.0011299400000000, 0.0016549300000000, 0.0007124200000000 ] - [ -0.0034408900000000, 0.0013412600000000, 0.0005244200000000 ] - [ -0.0000586600000000, -0.0000981300000000, -0.0003798500000000 ] - [ -0.0001520400000000, -0.0001093500000000, -0.0004970300000000 ] - [ 0.0000258900000000, 0.0032859600000000, -0.0004269200000000 ] - [ -0.0001113200000000, 0.0003183500000000, -0.0003627300000000 ] - [ 0.0001070900000000, -0.0003803300000000, 0.0003556900000000 ] - [ 0.0000013400000000, 0.0001503500000000, 0.0003208200000000 ] - [ -0.0000544400000000, -0.0002142800000000, -0.0003538300000000 ] - [ -0.0003039200000000, -0.0003735200000000, -0.0004792100000000 ] - [ 0.0007576200000000, 0.0022751300000000, 0.0014951000000000 ] - [ -0.0002420300000000, 0.0004043500000000, 0.0004123500000000 ] - [ -0.0001387100000000, -0.0004325500000000, 0.0002335100000000 ] - [ -0.0002084900000000, -0.0005113800000000, 0.0000201100000000 ] - [ 0.0015264500000000, -0.0005561100000000, 0.0007807700000000 ] - [ 0.0004696900000000, 0.0002322000000000, -0.0003441700000000 ] - [ 0.0008623600000000, 0.0006028600000000, 0.0006740000000000 ] - [ 0.0000930700000000, -0.0002311100000000, -0.0001941000000000 ] - [ -0.0008360800000000, -0.0008695000000000, 0.0021579400000000 ] - [ -0.0008407100000000, -0.0003744900000000, -0.0000139500000000 ] - [ -0.0001662500000000, -0.0009998600000000, 0.0004002300000000 ] - [ -0.0000647700000000, -0.0004767800000000, -0.0002182000000000 ] - [ 0.0011049600000000, -0.0004969400000000, -0.0021364900000000 ] - [ 0.0005883600000000, 0.0002074900000000, 0.0000788200000000 ] - [ 0.0006994600000000, -0.0004717700000000, -0.0006429000000000 ] - [ 0.0004348100000000, -0.0005692700000000, 0.0000470800000000 ] - [ -0.0004488000000000, 0.0004484200000000, 0.0004271200000000 ] - [ -0.0004998400000000, 0.0005353100000000, 0.0002040800000000 ] - [ 0.0000173500000000, 0.0002426100000000, -0.0000906200000000 ] - [ 0.0002846700000000, -0.0000012000000000, -0.0011138100000000 ] - [ 0.0001789500000000, 0.0033311700000000, 0.0056105500000000 ] - [ 0.0001835800000000, -0.0001211400000000, 0.0004765400000000 ] - [ -0.0010572300000000, 0.0018816200000000, 0.0000828600000000 ] - [ 0.0026661700000000, 0.0024154100000000, -0.0000263700000000 ] - [ -0.0008089300000000, 0.0021919100000000, -0.0015819000000000 ] - [ 0.0001324300000000, 0.0001650500000000, -0.0005289900000000 ] - [ 0.0000505000000000, 0.0006050900000000, 0.0011590000000000 ] - [ 0.0000167600000000, -0.0000361700000000, 0.0003963900000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004930800000000, 0.0003230300000000, 0.0014052100000000 ] - [ -0.0000685800000000, 0.0003105000000000, 0.0001479200000000 ] - [ -0.0020576300000000, -0.0074285200000000, -0.0000160400000000 ] - [ -0.0006986500000000, 0.0001394300000000, -0.0005519900000000 ] - [ -0.0001937200000000, 0.0005330500000000, 0.0001740800000000 ] - [ -0.0002722900000000, 0.0003232700000000, 0.0000595400000000 ] - [ 0.0004494100000000, -0.0049734200000000, -0.0000682300000000 ] - [ 0.0002198700000000, -0.0008650200000000, -0.0001056400000000 ] - [ 0.0000980800000000, 0.0000480700000000, -0.0013948800000000 ] - [ 0.0003250300000000, -0.0001337900000000, -0.0001304400000000 ] - [ -0.0001171400000000, -0.0007440900000000, -0.0003071400000000 ] - [ -0.0002190500000000, -0.0004680600000000, -0.0004655600000000 ] - [ 0.0039415800000000, -0.0112790000000000, -0.0003748700000000 ] - [ 0.0000968600000000, -0.0009510800000000, 0.0006082200000000 ] - [ 0.0002831700000000, 0.0024433500000000, 0.0000821400000000 ] - [ 0.0001048100000000, 0.0008978800000000, 0.0003216700000000 ] - [ 0.0001619000000000, -0.0021805000000000, -0.0004368000000000 ] - [ -0.0006219900000000, 0.0025282600000000, -0.0010243000000000 ] - [ 0.0000406900000000, -0.0001678000000000, 0.0002209500000000 ] - [ -0.0007946700000000, -0.0001067100000000, -0.0005492000000000 ] - [ 0.0015631600000000, -0.0000071500000000, 0.0025415600000000 ] - [ -0.0000941200000000, -0.0001444100000000, -0.0002258100000000 ] - [ -0.0000229300000000, 0.0052524300000000, 0.0006879800000000 ] - [ -0.0001279100000000, 0.0022555800000000, 0.0003851600000000 ] - [ 0.0001246700000000, 0.0001173600000000, 0.0004149600000000 ] - [ 0.0000965300000000, 0.0000218300000000, 0.0003114000000000 ] - [ -0.0030654600000000, -0.0004840500000000, -0.0023771000000000 ] - [ 0.0003234900000000, -0.0000806900000000, 0.0000984900000000 ] - [ 0.0050338200000000, -0.0801484500000000, 0.0036182200000000 ] - [ -0.0002319400000000, 0.0000973600000000, -0.0001928000000000 ] - [ -0.0001314400000000, -0.0000730100000000, -0.0002091400000000 ] - [ -0.0000426100000000, -0.0000722400000000, 0.0001495100000000 ] - [ 0.0024821300000000, 0.0263328300000000, 0.0000297300000000 ] - [ 0.0003575700000000, 0.0021047800000000, 0.0001353400000000 ] - [ 0.0012624100000000, 0.0001271500000000, 0.0009240600000000 ] - [ -0.0005489200000000, 0.0001501300000000, 0.0000314100000000 ] - [ 0.0022207600000000, 0.0206316600000000, 0.0035897200000000 ] - [ -0.0004045200000000, 0.0004226700000000, -0.0000839600000000 ] - [ -0.0120953600000000, 0.0639634700000000, -0.0068892300000000 ] - [ 0.0002236500000000, -0.0000713000000000, -0.0008407600000000 ] - [ -0.0001739400000000, -0.0002679600000000, 0.0007762100000000 ] - [ -0.0001443500000000, 0.0000194600000000, 0.0008095200000000 ] - [ 0.0003218200000000, 0.0000802000000000, 0.0001608100000000 ] - [ 0.0002778500000000, 0.0000737200000000, -0.0000116400000000 ] - [ 0.0012857400000000, -0.0000466900000000, 0.0026255100000000 ] - [ 0.0003751900000000, -0.0001755700000000, 0.0002270900000000 ] - [ 0.0004447000000000, -0.0004054800000000, -0.0000767900000000 ] - [ 0.0003731800000000, -0.0002950800000000, -0.0000531700000000 ] - [ -0.0003499700000000, -0.0001546100000000, -0.0000913600000000 ] - [ -0.0005569200000000, -0.0001806900000000, -0.0005104000000000 ] - [ 0.0022005900000000, -0.0024458900000000, 0.0050700600000000 ] - [ -0.0001595200000000, 0.0000587500000000, 0.0007956400000000 ] - [ 0.0000984300000000, 0.0000196200000000, -0.0007952100000000 ] - [ -0.0000178400000000, 0.0000061800000000, -0.0009657000000000 ] - [ -0.0002030900000000, -0.0000818100000000, -0.0001702800000000 ] - [ -0.0002147200000000, -0.0003103300000000, -0.0001481900000000 ] - [ -0.0000266700000000, -0.0005437700000000, 0.0003043500000000 ] - [ 0.0002562600000000, -0.0006307400000000, 0.0003618500000000 ] - [ -0.0021444500000000, -0.0024474200000000, 0.0001286100000000 ] - [ 0.0025196400000000, -0.0021344000000000, 0.0003190800000000 ] - [ -0.0000753800000000, -0.0000896600000000, -0.0003880400000000 ] - [ 0.0000250500000000, -0.0000780700000000, -0.0002641000000000 ] - [ -0.0001757500000000, -0.0030984400000000, -0.0003430300000000 ] - [ -0.0000012700000000, -0.0001299000000000, -0.0004066900000000 ] - [ 0.0000155400000000, 0.0005702200000000, 0.0004100100000000 ] - [ 0.0001405600000000, 0.0000392400000000, 0.0004620000000000 ] - [ -0.0000966400000000, -0.0000360100000000, -0.0003920200000000 ] - [ 0.0001591100000000, 0.0001194500000000, -0.0002503300000000 ] - [ -0.0007191500000000, -0.0014850700000000, -0.0010462200000000 ] - [ 0.0003061100000000, 0.0003995100000000, 0.0000619100000000 ] - [ -0.0002590600000000, -0.0002882900000000, 0.0002968900000000 ] - [ -0.0001838200000000, -0.0002096900000000, 0.0005141400000000 ] - [ -0.0005483400000000, 0.0013294400000000, -0.0016080100000000 ] - [ 0.0005107000000000, 0.0005336200000000, -0.0005204300000000 ] - [ -0.0004609100000000, -0.0013231800000000, -0.0011827800000000 ] - [ 0.0002966600000000, -0.0004998400000000, -0.0003336600000000 ] - [ 0.0009847200000000, 0.0011378800000000, -0.0014408600000000 ] - [ 0.0010259600000000, 0.0006619400000000, 0.0007690500000000 ] - [ 0.0001077000000000, 0.0001945800000000, -0.0008716900000000 ] - [ 0.0000179900000000, -0.0003208200000000, -0.0002583000000000 ] - [ -0.0011562600000000, 0.0012842800000000, 0.0016386600000000 ] - [ -0.0005992700000000, 0.0005604400000000, -0.0005363000000000 ] - [ 0.0002748600000000, -0.0003054300000000, -0.0002042500000000 ] - [ 0.0005346400000000, -0.0002275900000000, -0.0008584200000000 ] - [ -0.0005249000000000, 0.0003295200000000, 0.0004198000000000 ] - [ -0.0004697300000000, 0.0002417200000000, 0.0006473200000000 ] - [ 0.0003797400000000, 0.0004798800000000, -0.0004385400000000 ] - [ 0.0001050300000000, 0.0007428500000000, 0.0006204000000000 ] - [ -0.0000538900000000, -0.0034803500000000, -0.0047611200000000 ] - [ -0.0000419000000000, -0.0000719000000000, 0.0002913100000000 ] - [ 0.0006311400000000, -0.0011628400000000, 0.0004403200000000 ] - [ -0.0030154400000000, -0.0016727100000000, 0.0005463200000000 ] - [ 0.0006459400000000, -0.0019279300000000, 0.0008151300000000 ] - [ -0.0002684000000000, 0.0000844500000000, -0.0002102400000000 ] - [ 0.0000975800000000, -0.0008601600000000, -0.0004101300000000 ] - [ 0.0001354100000000, -0.0002234000000000, 0.0003425200000000 ]- atom: 39 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0013893100000000, -0.0012668500000000, -0.0018918700000000 ] - [ -0.0005791100000000, -0.0000793800000000, -0.0005116500000000 ] - [ -0.0023426900000000, -0.0013744800000000, 0.0047972600000000 ] - [ 0.0002437700000000, -0.0002365400000000, 0.0019302600000000 ] - [ -0.0001506900000000, 0.0001968400000000, -0.0013246400000000 ] - [ -0.0003261800000000, 0.0001679600000000, -0.0011721200000000 ] - [ -0.0012533300000000, 0.0013107100000000, 0.0013238800000000 ] - [ -0.0003497900000000, 0.0001273200000000, 0.0001577700000000 ] - [ 0.0014737000000000, 0.0016099900000000, -0.0023964100000000 ] - [ -0.0005594800000000, 0.0002922200000000, -0.0009229700000000 ] - [ -0.0001462300000000, -0.0004416800000000, -0.0026328200000000 ] - [ -0.0003837000000000, -0.0002815000000000, -0.0027107300000000 ] - [ -0.0028863100000000, 0.0024047300000000, 0.0052513900000000 ] - [ 0.0001618300000000, 0.0003622000000000, 0.0024359300000000 ] - [ 0.0009374200000000, -0.0003525200000000, 0.0006896900000000 ] - [ -0.0000937700000000, -0.0001713100000000, 0.0006652500000000 ] - [ 0.0027289300000000, 0.0001084300000000, -0.0015881000000000 ] - [ -0.0107521200000000, -0.0000386100000000, -0.0079109400000000 ] - [ 0.0009908900000000, 0.0007345700000000, -0.0020195500000000 ] - [ -0.0010769200000000, -0.0000782400000000, -0.0014847900000000 ] - [ -0.0024758200000000, -0.0016438100000000, -0.0025948100000000 ] - [ 0.0008926700000000, -0.0008807500000000, -0.0014571300000000 ] - [ -0.0009828400000000, 0.0002487400000000, 0.0035212200000000 ] - [ 0.0001157700000000, 0.0001098800000000, 0.0016046900000000 ] - [ 0.0006585300000000, 0.0000841300000000, 0.0002582100000000 ] - [ -0.0005007000000000, 0.0000921900000000, 0.0001944400000000 ] - [ -0.0044243300000000, -0.0002748600000000, -0.0018007100000000 ] - [ 0.0019366000000000, -0.0000932500000000, -0.0008329500000000 ] - [ 0.0315996400000000, -0.0018813300000000, 0.1226002800000000 ] - [ 0.0006126500000000, 0.0000165300000000, 0.0016585500000000 ] - [ 0.0005582700000000, -0.0001517400000000, -0.0025426800000000 ] - [ -0.0007423900000000, -0.0001239600000000, -0.0020550300000000 ] - [ -0.0295056300000000, 0.0002396800000000, -0.0275936100000000 ] - [ 0.0000112900000000, -0.0001391300000000, -0.0011832400000000 ] - [ 0.0015888100000000, -0.0000490700000000, -0.0008096600000000 ] - [ -0.0020486900000000, -0.0009104500000000, 0.0002187300000000 ] - [ 0.0584956900000000, -0.0023093300000000, 0.0594890300000000 ] - [ -0.0008599200000000, 0.0002158400000000, -0.0014375000000000 ] - [ -0.0501960200000000, 0.0022507300000000, -0.1674634800000000 ] - [ -0.0007753200000000, 0.0000125000000000, -0.0017545700000000 ] - [ -0.0006650700000000, -0.0000574700000000, 0.0009964400000000 ] - [ 0.0001659900000000, -0.0000355300000000, 0.0010784900000000 ] - [ -0.0005637800000000, -0.0000496300000000, 0.0013690600000000 ] - [ 0.0003425500000000, 0.0001369500000000, 0.0008867100000000 ] - [ 0.0015453700000000, -0.0000955900000000, 0.0019669400000000 ] - [ 0.0000577200000000, -0.0002679600000000, 0.0009262500000000 ] - [ 0.0001823600000000, 0.0001805700000000, -0.0001522500000000 ] - [ 0.0005734400000000, 0.0001631500000000, -0.0002831100000000 ] - [ -0.0006379600000000, 0.0001348800000000, 0.0017102800000000 ] - [ 0.0000821300000000, 0.0000296100000000, 0.0014385500000000 ] - [ 0.0036251800000000, -0.0034509100000000, 0.0033327800000000 ] - [ -0.0009030900000000, 0.0000442000000000, 0.0005950000000000 ] - [ 0.0000492100000000, 0.0000621100000000, 0.0001022200000000 ] - [ 0.0008867300000000, -0.0000753000000000, 0.0000904200000000 ] - [ -0.0003973200000000, -0.0000911600000000, 0.0001318400000000 ] - [ 0.0001562300000000, -0.0001073200000000, 0.0000218100000000 ] - [ -0.0001216700000000, -0.0005981000000000, 0.0008664000000000 ] - [ 0.0002758300000000, -0.0004950900000000, 0.0007114500000000 ] - [ -0.0005767000000000, -0.0008752200000000, -0.0009056000000000 ] - [ -0.0006688400000000, -0.0003188000000000, -0.0000395400000000 ] - [ -0.0001650300000000, -0.0002454200000000, 0.0005720100000000 ] - [ 0.0002621800000000, 0.0000310800000000, 0.0003237000000000 ] - [ 0.0000185100000000, 0.0001565400000000, -0.0015575200000000 ] - [ -0.0002610500000000, 0.0000756700000000, -0.0008700600000000 ] - [ -0.0005659100000000, 0.0000886500000000, 0.0013545700000000 ] - [ 0.0010049600000000, 0.0000769200000000, 0.0012214600000000 ] - [ -0.0007648200000000, -0.0014120000000000, 0.0028216100000000 ] - [ 0.0002487800000000, -0.0000377500000000, 0.0002057200000000 ] - [ 0.0000791900000000, 0.0014236900000000, -0.0005568100000000 ] - [ 0.0001094400000000, 0.0005472400000000, -0.0002438800000000 ] - [ -0.0007264100000000, -0.0002072200000000, 0.0013644100000000 ] - [ -0.0000103800000000, -0.0003114800000000, 0.0009724600000000 ] - [ 0.0021934100000000, 0.0010487900000000, 0.0001903500000000 ] - [ -0.0012417500000000, 0.0013648000000000, -0.0005038300000000 ] - [ 0.0008517200000000, 0.0000144100000000, -0.0005894800000000 ] - [ -0.0001451500000000, -0.0002565000000000, -0.0002965300000000 ] - [ -0.0014500400000000, 0.0008557100000000, 0.0009802000000000 ] - [ 0.0030868400000000, 0.0020232100000000, -0.0002904100000000 ] - [ 0.0007761700000000, 0.0000946300000000, 0.0013795800000000 ] - [ -0.0002523000000000, -0.0004261300000000, 0.0003620400000000 ] - [ -0.0018130100000000, -0.0005137800000000, 0.0005520400000000 ] - [ 0.0031902500000000, -0.0014043000000000, -0.0011219000000000 ] - [ 0.0001180800000000, -0.0004490000000000, 0.0000957300000000 ] - [ 0.0009119000000000, -0.0020090300000000, 0.0026459400000000 ] - [ -0.0006667000000000, 0.0003466000000000, 0.0011489600000000 ] - [ -0.0003347300000000, 0.0003472900000000, 0.0010396800000000 ] - [ -0.0001250300000000, 0.0003938900000000, 0.0001989300000000 ] - [ 0.0003980900000000, 0.0019101800000000, 0.0028950500000000 ] - [ 0.0012324200000000, 0.0041567100000000, 0.0030756500000000 ] - [ -0.0001541000000000, 0.0000480600000000, 0.0002255800000000 ] - [ -0.0002075000000000, 0.0005948700000000, -0.0009264600000000 ] - [ -0.0001486500000000, 0.0003648600000000, -0.0001684700000000 ] - [ -0.0000747800000000, -0.0009354400000000, -0.0012419300000000 ] - [ 0.0000182800000000, -0.0000367800000000, -0.0008512300000000 ] - [ 0.0002391200000000, 0.0003264300000000, 0.0013103200000000 ] - [ -0.0000241100000000, -0.0000851400000000, 0.0007337700000000 ]- atom: 39 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0010431900000000, 0.0020259400000000, 0.0025030600000000 ] - [ 0.0009117700000000, 0.0008399900000000, 0.0011222800000000 ] - [ 0.0019757800000000, 0.0020886200000000, -0.0053503800000000 ] - [ -0.0006194000000000, 0.0010461900000000, -0.0025403500000000 ] - [ -0.0003203900000000, 0.0001601000000000, 0.0015855300000000 ] - [ -0.0001451000000000, 0.0001879100000000, 0.0014358500000000 ] - [ 0.0014380400000000, -0.0009631900000000, -0.0010273600000000 ] - [ 0.0008016100000000, 0.0002284600000000, -0.0004215200000000 ] - [ -0.0009958500000000, -0.0019626700000000, 0.0021136200000000 ] - [ 0.0010242900000000, -0.0006472400000000, 0.0006403700000000 ] - [ -0.0001957100000000, -0.0003219300000000, 0.0019910000000000 ] - [ 0.0000452900000000, -0.0004802400000000, 0.0020787800000000 ] - [ 0.0023869400000000, -0.0027247500000000, -0.0048990600000000 ] - [ -0.0006697300000000, -0.0007675400000000, -0.0021567600000000 ] - [ -0.0005853700000000, -0.0004075100000000, -0.0000533600000000 ] - [ 0.0004227900000000, -0.0005879700000000, -0.0000355000000000 ] - [ -0.0026398300000000, 0.0001509600000000, 0.0008404600000000 ] - [ 0.0107893900000000, 0.0003005300000000, 0.0070933700000000 ] - [ -0.0010652200000000, -0.0009793600000000, 0.0027477600000000 ] - [ 0.0009779300000000, -0.0001807600000000, 0.0022141100000000 ] - [ 0.0025513900000000, 0.0013623700000000, 0.0018404600000000 ] - [ -0.0007988900000000, 0.0006170300000000, 0.0007257000000000 ] - [ 0.0009038700000000, 0.0000133200000000, -0.0027782700000000 ] - [ -0.0002193200000000, 0.0001515100000000, -0.0008629500000000 ] - [ -0.0004634400000000, 0.0000735300000000, 0.0002554700000000 ] - [ 0.0006972300000000, 0.0000652500000000, 0.0003096800000000 ] - [ 0.0045953100000000, 0.0001170100000000, 0.0023020300000000 ] - [ -0.0017314700000000, -0.0000646900000000, 0.0013590900000000 ] - [ -0.0329337300000000, 0.0020601200000000, -0.1226986000000000 ] - [ -0.0008350800000000, 0.0001420700000000, -0.0021845600000000 ] - [ -0.0007493000000000, -0.0000068500000000, 0.0020144400000000 ] - [ 0.0005408400000000, -0.0000339200000000, 0.0015255300000000 ] - [ 0.0303585300000000, -0.0004213600000000, 0.0276854600000000 ] - [ 0.0004590200000000, -0.0000363900000000, 0.0014273300000000 ] - [ -0.0020301700000000, 0.0002223800000000, 0.0005503500000000 ] - [ 0.0015810200000000, 0.0010807400000000, -0.0004888500000000 ] - [ -0.0603588200000000, 0.0027027000000000, -0.0604418800000000 ] - [ 0.0000445600000000, 0.0001220200000000, 0.0013685100000000 ] - [ 0.0526793200000000, -0.0023732100000000, 0.1657521300000000 ] - [ 0.0010562100000000, -0.0000674200000000, 0.0001121600000000 ] - [ 0.0004090400000000, 0.0000024200000000, 0.0006524700000000 ] - [ -0.0004197300000000, -0.0000190200000000, 0.0005726900000000 ] - [ 0.0010136700000000, 0.0002259100000000, -0.0011058300000000 ] - [ 0.0001138700000000, 0.0000406000000000, -0.0006239700000000 ] - [ -0.0007165600000000, -0.0002417900000000, -0.0018838400000000 ] - [ 0.0007602400000000, -0.0000722300000000, -0.0008628000000000 ] - [ 0.0006412900000000, 0.0001570000000000, 0.0002240300000000 ] - [ 0.0002480300000000, 0.0001748700000000, 0.0003619900000000 ] - [ -0.0001875000000000, -0.0004694000000000, -0.0017749800000000 ] - [ -0.0008997000000000, -0.0003648500000000, -0.0014980700000000 ] - [ -0.0038568800000000, 0.0034679900000000, -0.0016648100000000 ] - [ 0.0006428600000000, 0.0000120100000000, 0.0010414100000000 ] - [ 0.0002046900000000, -0.0000060600000000, -0.0017440100000000 ] - [ -0.0006257000000000, 0.0001299000000000, -0.0017301000000000 ] - [ -0.0000567400000000, -0.0000853800000000, -0.0003863900000000 ] - [ -0.0006140400000000, -0.0000692200000000, -0.0002737100000000 ] - [ 0.0001704400000000, -0.0002053300000000, -0.0003875500000000 ] - [ -0.0002222000000000, -0.0003061100000000, -0.0002317800000000 ] - [ -0.0004021200000000, 0.0001063100000000, 0.0017451400000000 ] - [ -0.0002981200000000, -0.0004588600000000, 0.0008836800000000 ] - [ 0.0000345700000000, 0.0000519400000000, -0.0013325400000000 ] - [ -0.0003913400000000, -0.0002211200000000, -0.0010877900000000 ] - [ -0.0001546200000000, 0.0000320400000000, 0.0007822100000000 ] - [ 0.0001380600000000, 0.0001133500000000, 0.0000982500000000 ] - [ 0.0006935300000000, 0.0001016500000000, -0.0005827600000000 ] - [ -0.0008727700000000, 0.0001128200000000, -0.0004470400000000 ] - [ 0.0006051000000000, 0.0011332400000000, -0.0035112500000000 ] - [ -0.0003953700000000, -0.0002178500000000, -0.0009394800000000 ] - [ -0.0000342800000000, -0.0006232900000000, 0.0010332100000000 ] - [ -0.0000533600000000, 0.0002521900000000, 0.0007256400000000 ] - [ 0.0003269900000000, -0.0005155700000000, -0.0008309200000000 ] - [ -0.0003813100000000, -0.0004116700000000, -0.0004402500000000 ] - [ -0.0012019600000000, -0.0002565700000000, -0.0010152900000000 ] - [ 0.0021965900000000, -0.0005816000000000, -0.0003657400000000 ] - [ -0.0004503400000000, -0.0007321000000000, 0.0000594200000000 ] - [ 0.0005379600000000, -0.0004679200000000, -0.0002370400000000 ] - [ 0.0016047300000000, -0.0006013700000000, -0.0002522100000000 ] - [ -0.0029395700000000, -0.0017705900000000, 0.0010426100000000 ] - [ -0.0008190400000000, -0.0008845900000000, -0.0018451700000000 ] - [ 0.0002014400000000, -0.0003701200000000, -0.0008408300000000 ] - [ 0.0017685600000000, 0.0013184000000000, -0.0010390000000000 ] - [ -0.0032446200000000, 0.0022073100000000, 0.0006629700000000 ] - [ 0.0008542400000000, -0.0003277300000000, -0.0009376900000000 ] - [ 0.0000617900000000, 0.0012342300000000, -0.0034877800000000 ] - [ -0.0003070800000000, 0.0004291600000000, -0.0003003000000000 ] - [ -0.0006354100000000, 0.0004288800000000, -0.0001898500000000 ] - [ 0.0005201200000000, 0.0003287700000000, -0.0007230300000000 ] - [ -0.0000015400000000, -0.0011888900000000, -0.0034170600000000 ] - [ -0.0010957500000000, -0.0042909500000000, -0.0022821100000000 ] - [ 0.0002876600000000, -0.0002363200000000, 0.0005360600000000 ] - [ -0.0001961800000000, 0.0001196400000000, 0.0014476500000000 ] - [ -0.0002441600000000, 0.0003578500000000, 0.0006931400000000 ] - [ -0.0000797300000000, 0.0011863200000000, 0.0005047200000000 ] - [ -0.0001628900000000, 0.0002917300000000, 0.0001191000000000 ] - [ -0.0000895200000000, -0.0005794800000000, -0.0005696300000000 ] - [ 0.0001735200000000, -0.0001722900000000, 0.0000010900000000 ]- atom: 57 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0014752800000000, 0.0008949900000000, 0.0021527700000000 ] - [ -0.0006133800000000, 0.0000913100000000, -0.0002472200000000 ] - [ -0.0003847100000000, 0.0006659100000000, 0.0001884800000000 ] - [ 0.0000303300000000, 0.0004349800000000, -0.0007892500000000 ] - [ 0.0063482900000000, -0.0023456700000000, 0.0022853700000000 ] - [ -0.0035802300000000, -0.0013274700000000, 0.0008999900000000 ] - [ 0.0025151900000000, 0.0004780900000000, -0.0000360200000000 ] - [ -0.0016975200000000, 0.0007685600000000, -0.0004121600000000 ] - [ 0.0008853100000000, -0.0002873300000000, 0.0003500700000000 ] - [ -0.0004157800000000, 0.0000375700000000, -0.0006865200000000 ] - [ 0.0007997500000000, -0.0005757500000000, -0.0006505500000000 ] - [ -0.0015091900000000, 0.0004480100000000, 0.0002841200000000 ] - [ -0.0004515200000000, -0.0004299100000000, 0.0009347400000000 ] - [ -0.0000804200000000, -0.0001154800000000, -0.0014110400000000 ] - [ 0.0054352300000000, -0.0019893000000000, -0.0008719200000000 ] - [ -0.0020418900000000, -0.0009669600000000, -0.0000917800000000 ] - [ 0.0002904200000000, 0.0001998000000000, -0.0006368500000000 ] - [ -0.0002179100000000, 0.0003509900000000, -0.0001650400000000 ] - [ 0.0355295400000000, -0.0238605500000000, -0.0145803100000000 ] - [ -0.0032823700000000, -0.0007859300000000, -0.0002075100000000 ] - [ -0.0019122700000000, 0.0028144900000000, 0.0014303000000000 ] - [ 0.0000878900000000, -0.0009885000000000, -0.0009852400000000 ] - [ 0.0004236300000000, -0.0000939500000000, 0.0012239100000000 ] - [ -0.0007251700000000, -0.0000031400000000, -0.0003008800000000 ] - [ 0.0013719200000000, 0.0001062000000000, -0.0008834300000000 ] - [ -0.0010064900000000, 0.0001360200000000, 0.0007470900000000 ] - [ -0.0023602800000000, -0.0003633800000000, 0.0035502900000000 ] - [ -0.0001686200000000, -0.0000867200000000, -0.0130206300000000 ] - [ 0.0007285200000000, 0.0000647000000000, -0.0000574000000000 ] - [ -0.0008783500000000, 0.0000898000000000, -0.0006666800000000 ] - [ 0.0023436800000000, -0.0005500800000000, 0.0013338300000000 ] - [ -0.0024493700000000, -0.0001434200000000, -0.0007569100000000 ] - [ -0.0002924900000000, -0.0002671000000000, 0.0003088500000000 ] - [ 0.0006863500000000, -0.0000686100000000, 0.0001065300000000 ] - [ 0.0018284700000000, -0.0000584400000000, -0.0014867700000000 ] - [ -0.0024071700000000, -0.0011939300000000, 0.0045105000000000 ] - [ -0.0005886100000000, 0.0001439400000000, -0.0002171900000000 ] - [ -0.0002286100000000, 0.0001546200000000, 0.0003212300000000 ] - [ -0.0004129800000000, 0.0000219500000000, -0.0011209300000000 ] - [ 0.0006789400000000, -0.0002561500000000, -0.0004147500000000 ] - [ -0.0012573600000000, 0.0001111800000000, 0.0013436400000000 ] - [ 0.0005705300000000, 0.0000139200000000, 0.0007796900000000 ] - [ -0.0007353700000000, 0.0005431500000000, 0.0000816100000000 ] - [ 0.0018551700000000, -0.0008877400000000, 0.0000415100000000 ] - [ 0.0029329100000000, 0.0011668000000000, -0.0015025800000000 ] - [ 0.0126412100000000, -0.0100357900000000, 0.0088566200000000 ] - [ 0.0002706000000000, 0.0001716200000000, 0.0008317300000000 ] - [ 0.0005368100000000, 0.0001618100000000, -0.0005016600000000 ] - [ -0.0011263800000000, 0.0005310800000000, -0.0009971600000000 ] - [ 0.0006174000000000, -0.0005396900000000, 0.0003121400000000 ] - [ 0.0006951000000000, 0.0011589200000000, -0.0008138900000000 ] - [ 0.0031006500000000, 0.0006171900000000, 0.0050286900000000 ] - [ -0.0020406100000000, -0.0007129200000000, -0.0013598800000000 ] - [ 0.0017748200000000, 0.0003010700000000, -0.0002882500000000 ] - [ -0.0003494300000000, 0.0001591900000000, 0.0016764200000000 ] - [ 0.0005871100000000, 0.0002495000000000, -0.0010034000000000 ] - [ -0.0680714800000000, 0.0431876400000000, 0.0232406800000000 ] - [ 0.0013216500000000, -0.0006144100000000, 0.0001854400000000 ] - [ -0.0010505100000000, 0.0000333700000000, 0.0001608200000000 ] - [ -0.0000947400000000, -0.0003780900000000, 0.0005673600000000 ] - [ -0.0044962900000000, 0.0024816600000000, 0.0034493600000000 ] - [ 0.0009331600000000, -0.0001073500000000, -0.0004027300000000 ] - [ -0.0000486300000000, 0.0000867400000000, -0.0009070400000000 ] - [ 0.0001758900000000, 0.0003394000000000, 0.0000227300000000 ] - [ -0.0003155400000000, 0.0000412800000000, 0.0003259700000000 ] - [ 0.0003703900000000, 0.0000281800000000, 0.0004319900000000 ] - [ -0.0035333800000000, -0.0011248600000000, -0.0005364200000000 ] - [ 0.0009518600000000, 0.0000675300000000, -0.0003814400000000 ] - [ -0.0000988900000000, 0.0004771400000000, -0.0000869500000000 ] - [ 0.0002682500000000, 0.0005135300000000, 0.0005516100000000 ] - [ -0.0002603800000000, -0.0019918100000000, -0.0010368600000000 ] - [ 0.0002001600000000, -0.0000978700000000, 0.0005627700000000 ] - [ 0.0009330900000000, 0.0001692100000000, -0.0006402400000000 ] - [ 0.0002298500000000, 0.0001638100000000, -0.0002283400000000 ] - [ 0.0011929600000000, -0.0003512600000000, -0.0009689400000000 ] - [ -0.0004413600000000, 0.0000574000000000, 0.0005535300000000 ] - [ -0.0000627900000000, 0.0001348900000000, 0.0001936000000000 ] - [ 0.0001340800000000, 0.0000668300000000, 0.0005600300000000 ] - [ -0.0003771500000000, -0.0012112700000000, -0.0002225100000000 ] - [ 0.0002467000000000, -0.0006584200000000, -0.0002024700000000 ] - [ -0.0000719900000000, 0.0003290900000000, -0.0003012500000000 ] - [ 0.0000467000000000, 0.0003538900000000, -0.0001609000000000 ] - [ 0.0003920100000000, -0.0005612000000000, -0.0002190100000000 ] - [ 0.0005550000000000, -0.0004225400000000, -0.0005626200000000 ] - [ 0.0090582300000000, 0.0002062800000000, -0.0142893800000000 ] - [ 0.0010602600000000, 0.0009716100000000, 0.0007780200000000 ] - [ 0.0001473000000000, 0.0004734600000000, -0.0000576400000000 ] - [ 0.0004100000000000, 0.0001830000000000, -0.0005652500000000 ] - [ -0.0001465600000000, -0.0008638800000000, -0.0003738300000000 ] - [ 0.0003449200000000, -0.0000263100000000, 0.0006928600000000 ] - [ -0.0006223500000000, 0.0000882700000000, -0.0003347500000000 ] - [ 0.0000779600000000, 0.0004136900000000, 0.0003490300000000 ] - [ -0.0001782100000000, 0.0001124200000000, -0.0006065400000000 ] - [ 0.0000834500000000, 0.0001187300000000, -0.0001174500000000 ] - [ 0.0062105100000000, -0.0074262600000000, -0.0025415900000000 ] - [ 0.0006992900000000, 0.0005830200000000, 0.0007020500000000 ]- atom: 57 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0011477000000000, -0.0001389900000000, -0.0015206800000000 ] - [ 0.0009528600000000, 0.0006666800000000, 0.0008669600000000 ] - [ 0.0000484200000000, 0.0000956300000000, -0.0008081200000000 ] - [ -0.0003721800000000, 0.0003260300000000, 0.0001648200000000 ] - [ -0.0066437200000000, 0.0025338500000000, -0.0017681700000000 ] - [ 0.0031062500000000, 0.0016882500000000, -0.0006323600000000 ] - [ -0.0020355700000000, -0.0001160300000000, -0.0002524100000000 ] - [ 0.0021677800000000, -0.0004171100000000, 0.0001451700000000 ] - [ -0.0004148100000000, -0.0000660700000000, -0.0006174300000000 ] - [ 0.0008851400000000, -0.0003917400000000, 0.0004129800000000 ] - [ -0.0011164600000000, -0.0001682900000000, 0.0000335000000000 ] - [ 0.0011634700000000, -0.0012119800000000, -0.0009093700000000 ] - [ -0.0000172500000000, 0.0000733500000000, -0.0006597800000000 ] - [ -0.0003946700000000, -0.0002414200000000, 0.0016815500000000 ] - [ -0.0051095100000000, 0.0012273700000000, 0.0015083600000000 ] - [ 0.0023783300000000, 0.0002092000000000, 0.0007176400000000 ] - [ -0.0001976600000000, 0.0000638400000000, -0.0000978900000000 ] - [ 0.0003055400000000, -0.0000904600000000, -0.0005762300000000 ] - [ -0.0362106600000000, 0.0249586200000000, 0.0162208700000000 ] - [ 0.0031842100000000, 0.0005183700000000, 0.0009398100000000 ] - [ 0.0020007500000000, -0.0030563500000000, -0.0021586700000000 ] - [ -0.0000133500000000, 0.0007266800000000, 0.0002427200000000 ] - [ -0.0005140900000000, 0.0003546100000000, -0.0004869300000000 ] - [ 0.0006339600000000, 0.0002641400000000, 0.0010420400000000 ] - [ -0.0011643800000000, 0.0000507300000000, 0.0013953000000000 ] - [ 0.0012001300000000, 0.0000211800000000, -0.0002322800000000 ] - [ 0.0025586300000000, 0.0002028800000000, -0.0029983400000000 ] - [ 0.0003148600000000, -0.0000510900000000, 0.0136263400000000 ] - [ -0.0009230700000000, 0.0000928800000000, -0.0004603400000000 ] - [ 0.0006817400000000, 0.0000675300000000, 0.0001514500000000 ] - [ -0.0025490400000000, 0.0003885300000000, -0.0018303100000000 ] - [ 0.0022480600000000, -0.0000148400000000, 0.0002346200000000 ] - [ 0.0007479600000000, 0.0000906900000000, -0.0000498800000000 ] - [ -0.0002302600000000, -0.0001076200000000, 0.0001492800000000 ] - [ -0.0022808200000000, 0.0002326200000000, 0.0012195600000000 ] - [ 0.0019935800000000, 0.0013661500000000, -0.0047752300000000 ] - [ -0.0002337100000000, 0.0001935600000000, 0.0001476300000000 ] - [ -0.0005944000000000, 0.0001825600000000, -0.0003932600000000 ] - [ 0.0006670400000000, -0.0000766500000000, -0.0005243900000000 ] - [ -0.0004227400000000, 0.0002017800000000, -0.0012322500000000 ] - [ 0.0009934500000000, -0.0001620600000000, 0.0003031000000000 ] - [ -0.0008247300000000, -0.0000688100000000, 0.0008683300000000 ] - [ 0.0011970000000000, -0.0003683700000000, 0.0001701800000000 ] - [ -0.0013980700000000, 0.0010579300000000, 0.0002169800000000 ] - [ -0.0020840200000000, -0.0014841400000000, 0.0015538700000000 ] - [ -0.0120460300000000, 0.0098940200000000, -0.0088853900000000 ] - [ 0.0005489500000000, 0.0001654200000000, -0.0007589600000000 ] - [ 0.0002857800000000, 0.0001760200000000, 0.0005744100000000 ] - [ 0.0003115300000000, -0.0008648900000000, 0.0009183300000000 ] - [ -0.0014353800000000, 0.0001984900000000, -0.0003788900000000 ] - [ -0.0009608800000000, -0.0010991000000000, 0.0024444200000000 ] - [ -0.0033625500000000, -0.0005711700000000, -0.0034073100000000 ] - [ 0.0022913000000000, 0.0007659100000000, -0.0002916400000000 ] - [ -0.0015150200000000, -0.0002465600000000, -0.0013547800000000 ] - [ -0.0001069300000000, -0.0003317500000000, -0.0019204400000000 ] - [ -0.0010415600000000, -0.0004270600000000, 0.0007480600000000 ] - [ 0.0688166300000000, -0.0451170300000000, -0.0239804100000000 ] - [ -0.0012685400000000, -0.0001868400000000, 0.0002934500000000 ] - [ 0.0000811000000000, -0.0008116000000000, 0.0006879000000000 ] - [ -0.0008756400000000, -0.0003995800000000, 0.0002778200000000 ] - [ 0.0043131600000000, -0.0027265100000000, -0.0043198800000000 ] - [ -0.0010629700000000, -0.0000815700000000, -0.0003634100000000 ] - [ -0.0000885700000000, 0.0001019400000000, 0.0001433900000000 ] - [ -0.0003056100000000, -0.0001515900000000, -0.0007912700000000 ] - [ 0.0004465100000000, 0.0001453800000000, 0.0004380800000000 ] - [ -0.0002390300000000, 0.0001613600000000, 0.0003372600000000 ] - [ 0.0033862000000000, 0.0007684500000000, -0.0001998800000000 ] - [ -0.0011003800000000, -0.0003215400000000, -0.0003527700000000 ] - [ 0.0001491800000000, 0.0003195500000000, 0.0005648300000000 ] - [ -0.0002172400000000, 0.0002836700000000, -0.0000732500000000 ] - [ -0.0001221700000000, 0.0012696300000000, 0.0015640600000000 ] - [ -0.0005983800000000, -0.0006215000000000, -0.0000319900000000 ] - [ 0.0000351900000000, 0.0006075000000000, -0.0002069800000000 ] - [ 0.0007427200000000, 0.0006140100000000, -0.0006166600000000 ] - [ -0.0007954300000000, -0.0003730500000000, 0.0004375700000000 ] - [ 0.0008432100000000, -0.0007795400000000, -0.0010781000000000 ] - [ 0.0002123600000000, 0.0001218100000000, 0.0005404000000000 ] - [ 0.0000161200000000, 0.0001896300000000, 0.0001765000000000 ] - [ 0.0003184000000000, 0.0004045200000000, -0.0002522700000000 ] - [ -0.0002939000000000, -0.0001359100000000, -0.0002745200000000 ] - [ 0.0000205700000000, 0.0004695200000000, -0.0001779400000000 ] - [ -0.0000970400000000, 0.0004452800000000, -0.0003161400000000 ] - [ 0.0005771300000000, -0.0002191300000000, -0.0006268000000000 ] - [ 0.0004174600000000, -0.0003545800000000, -0.0002826500000000 ] - [ -0.0101178900000000, 0.0005732100000000, 0.0153606700000000 ] - [ -0.0020277800000000, -0.0001924500000000, 0.0000714700000000 ] - [ 0.0002418200000000, 0.0002482400000000, -0.0004738200000000 ] - [ -0.0000145500000000, 0.0005394600000000, 0.0000382000000000 ] - [ 0.0002708700000000, 0.0006742600000000, 0.0011372700000000 ] - [ -0.0002112500000000, -0.0001629100000000, 0.0000755100000000 ] - [ 0.0002272800000000, 0.0006355700000000, 0.0008635000000000 ] - [ -0.0004734300000000, 0.0003092600000000, 0.0001764800000000 ] - [ 0.0000282300000000, 0.0001446200000000, -0.0001291300000000 ] - [ -0.0002328400000000, 0.0001380800000000, -0.0006177400000000 ] - [ -0.0059597300000000, 0.0070318100000000, 0.0032311600000000 ] - [ -0.0005472600000000, -0.0008444200000000, 0.0000335400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009279600000000, 0.0011532800000000, -0.0013834500000000 ] - [ 0.0001194300000000, 0.0008969000000000, 0.0003165900000000 ] - [ 0.0001164800000000, -0.0001427200000000, -0.0007068700000000 ] - [ -0.0004985700000000, -0.0001868800000000, -0.0006291000000000 ] - [ -0.0022865200000000, 0.0060670700000000, 0.0003946300000000 ] - [ -0.0002032200000000, 0.0011986900000000, 0.0002151400000000 ] - [ -0.0009924800000000, -0.0025743200000000, 0.0031256300000000 ] - [ 0.0008902000000000, -0.0007011700000000, 0.0000393800000000 ] - [ 0.0000974700000000, -0.0005541100000000, 0.0003825200000000 ] - [ 0.0004002600000000, -0.0005031700000000, 0.0001647900000000 ] - [ -0.0022800400000000, -0.0040334700000000, -0.0018860500000000 ] - [ 0.0005727700000000, -0.0016388300000000, -0.0006005500000000 ] - [ -0.0000766600000000, 0.0002030400000000, 0.0001698400000000 ] - [ -0.0003935300000000, 0.0000581200000000, 0.0011643200000000 ] - [ -0.0013279100000000, 0.0045559000000000, 0.0019532000000000 ] - [ 0.0007401100000000, 0.0006785600000000, 0.0003007700000000 ] - [ -0.0000668200000000, -0.0004479000000000, -0.0009139600000000 ] - [ 0.0001882000000000, -0.0002379800000000, -0.0004725100000000 ] - [ -0.0261832800000000, 0.0512387600000000, 0.0229173100000000 ] - [ 0.0001128300000000, 0.0007787800000000, -0.0000753300000000 ] - [ 0.0017971900000000, -0.0037906400000000, -0.0015684400000000 ] - [ -0.0019598400000000, -0.0022864400000000, -0.0011401300000000 ] - [ -0.0000754600000000, 0.0005382700000000, -0.0006343600000000 ] - [ 0.0001609800000000, 0.0004112500000000, 0.0006177700000000 ] - [ -0.0007324600000000, 0.0001109300000000, 0.0008458900000000 ] - [ 0.0002863400000000, 0.0000607300000000, 0.0000709600000000 ] - [ -0.0001395600000000, 0.0000582000000000, 0.0007265900000000 ] - [ 0.0014078300000000, 0.0002397100000000, 0.0071081600000000 ] - [ -0.0003467100000000, 0.0000855400000000, -0.0001139000000000 ] - [ 0.0001395700000000, 0.0000913600000000, -0.0002301200000000 ] - [ -0.0023573400000000, -0.0011977900000000, 0.0030318300000000 ] - [ 0.0008694200000000, -0.0000355200000000, 0.0001687200000000 ] - [ 0.0003187100000000, 0.0001226200000000, -0.0001775700000000 ] - [ 0.0000503600000000, -0.0000082200000000, 0.0001468600000000 ] - [ -0.0000163000000000, 0.0000670800000000, -0.0003718000000000 ] - [ -0.0008525300000000, 0.0000426900000000, -0.0045324300000000 ] - [ -0.0003795700000000, 0.0002208100000000, -0.0001338600000000 ] - [ -0.0004338000000000, 0.0002337900000000, -0.0000206900000000 ] - [ 0.0003702500000000, 0.0001166300000000, -0.0009614400000000 ] - [ 0.0000086800000000, 0.0002019200000000, -0.0009537500000000 ] - [ 0.0004218200000000, -0.0006235200000000, 0.0004660300000000 ] - [ -0.0002083600000000, -0.0001055600000000, 0.0008298200000000 ] - [ 0.0017712600000000, -0.0000221300000000, -0.0010201600000000 ] - [ -0.0004006500000000, 0.0010803600000000, -0.0000169100000000 ] - [ 0.0011156900000000, -0.0005998800000000, -0.0002009600000000 ] - [ -0.0081902600000000, 0.0021158000000000, -0.0043882100000000 ] - [ 0.0005126900000000, 0.0001573300000000, -0.0004864400000000 ] - [ 0.0004269400000000, 0.0001154900000000, 0.0002554200000000 ] - [ 0.0010824400000000, 0.0032228700000000, -0.0013907900000000 ] - [ -0.0010140800000000, 0.0003233800000000, -0.0003282600000000 ] - [ 0.0001885400000000, -0.0008680000000000, -0.0000374500000000 ] - [ -0.0024852500000000, -0.0001475100000000, -0.0016916500000000 ] - [ 0.0005417400000000, 0.0019045400000000, -0.0017635600000000 ] - [ -0.0005175400000000, 0.0000297800000000, -0.0011514600000000 ] - [ -0.0002404800000000, -0.0003929300000000, -0.0014823400000000 ] - [ -0.0004230000000000, -0.0003161000000000, -0.0000060900000000 ] - [ 0.0450959600000000, -0.0875919300000000, -0.0382049000000000 ] - [ -0.0001890400000000, -0.0007492600000000, 0.0003582300000000 ] - [ -0.0000586600000000, -0.0010560900000000, 0.0009119300000000 ] - [ -0.0005691300000000, -0.0005505600000000, 0.0002945400000000 ] - [ 0.0026328300000000, 0.0031753600000000, 0.0134159000000000 ] - [ -0.0003170600000000, -0.0003156200000000, -0.0003003700000000 ] - [ -0.0006120100000000, -0.0000805800000000, 0.0004086900000000 ] - [ -0.0000159900000000, -0.0001985800000000, -0.0004310600000000 ] - [ 0.0000520100000000, 0.0007249600000000, 0.0008120400000000 ] - [ 0.0000090200000000, 0.0002289100000000, 0.0004164500000000 ] - [ 0.0000801500000000, 0.0193600600000000, 0.0004216700000000 ] - [ -0.0002340100000000, -0.0000064700000000, -0.0003164800000000 ] - [ -0.0000534500000000, 0.0001373400000000, 0.0005841500000000 ] - [ -0.0000892700000000, 0.0002240000000000, 0.0001307900000000 ] - [ -0.0020951200000000, 0.0006492400000000, 0.0020300100000000 ] - [ 0.0001807900000000, -0.0005353700000000, 0.0003090400000000 ] - [ 0.0002638500000000, 0.0008295100000000, -0.0003810100000000 ] - [ 0.0002992500000000, 0.0014285700000000, -0.0003477600000000 ] - [ -0.0006450400000000, -0.0003832600000000, 0.0003568200000000 ] - [ 0.0015132500000000, 0.0005120500000000, 0.0006676900000000 ] - [ 0.0000844500000000, 0.0001177600000000, 0.0005971500000000 ] - [ 0.0000676900000000, 0.0001557400000000, 0.0002846400000000 ] - [ 0.0007873300000000, 0.0014144200000000, -0.0006902900000000 ] - [ 0.0002320900000000, 0.0003671900000000, -0.0002383800000000 ] - [ -0.0000954200000000, 0.0006282800000000, -0.0001052600000000 ] - [ -0.0000713500000000, 0.0005325000000000, -0.0002103000000000 ] - [ 0.0006055800000000, 0.0000431600000000, -0.0003687200000000 ] - [ 0.0005527500000000, -0.0001740700000000, -0.0004648400000000 ] - [ -0.0005181100000000, -0.0038346500000000, 0.0003386200000000 ] - [ -0.0013708800000000, -0.0005323400000000, 0.0005010700000000 ] - [ 0.0005677000000000, 0.0005078600000000, 0.0002328500000000 ] - [ -0.0000658100000000, 0.0004974500000000, -0.0000455800000000 ] - [ -0.0000915600000000, 0.0011964700000000, 0.0009440300000000 ] - [ 0.0003021900000000, 0.0001979600000000, 0.0004455900000000 ] - [ 0.0000294800000000, 0.0006568100000000, 0.0010441900000000 ] - [ -0.0003181900000000, 0.0003124400000000, 0.0002755600000000 ] - [ -0.0000982200000000, 0.0001794500000000, -0.0002106200000000 ] - [ -0.0001029500000000, 0.0001345200000000, -0.0004346200000000 ] - [ -0.0070518700000000, 0.0052470200000000, 0.0026574800000000 ] - [ 0.0007528100000000, -0.0004156100000000, 0.0003695100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005873600000000, -0.0003826200000000, 0.0020179300000000 ] - [ 0.0002178600000000, -0.0001339400000000, 0.0003056200000000 ] - [ -0.0004557300000000, 0.0009044100000000, 0.0000864800000000 ] - [ 0.0001598500000000, 0.0009480500000000, 0.0000094800000000 ] - [ 0.0018980500000000, -0.0057594000000000, -0.0000395700000000 ] - [ -0.0002802000000000, -0.0008566800000000, 0.0000529500000000 ] - [ 0.0014581800000000, 0.0029425100000000, -0.0033687300000000 ] - [ -0.0004199400000000, 0.0010645000000000, -0.0003088500000000 ] - [ 0.0003759100000000, 0.0001933000000000, -0.0006601500000000 ] - [ 0.0000688400000000, 0.0001458500000000, -0.0004373500000000 ] - [ 0.0019237000000000, 0.0032809200000000, 0.0012428600000000 ] - [ -0.0009068200000000, 0.0008839300000000, -0.0000232400000000 ] - [ -0.0003941600000000, -0.0005579800000000, 0.0000977800000000 ] - [ -0.0000777100000000, -0.0004129800000000, -0.0008984800000000 ] - [ 0.0016820300000000, -0.0053241300000000, -0.0013827400000000 ] - [ -0.0004028800000000, -0.0014456300000000, 0.0003214300000000 ] - [ 0.0001565300000000, 0.0007120700000000, 0.0001696900000000 ] - [ -0.0000981200000000, 0.0005012900000000, -0.0002692000000000 ] - [ 0.0241229600000000, -0.0494555900000000, -0.0204412700000000 ] - [ -0.0001996900000000, -0.0010372700000000, 0.0008220300000000 ] - [ -0.0017201800000000, 0.0035376100000000, 0.0008403600000000 ] - [ 0.0020704200000000, 0.0020229900000000, 0.0004144600000000 ] - [ -0.0000134500000000, -0.0002782800000000, 0.0013752200000000 ] - [ -0.0002512100000000, -0.0001518500000000, 0.0001218100000000 ] - [ 0.0009328900000000, 0.0000472700000000, -0.0003301200000000 ] - [ -0.0000953200000000, 0.0000979100000000, 0.0004475600000000 ] - [ 0.0003459500000000, -0.0002146600000000, -0.0002171800000000 ] - [ -0.0012218100000000, -0.0003971400000000, -0.0066110100000000 ] - [ 0.0001508000000000, 0.0000723600000000, -0.0004029200000000 ] - [ -0.0003358700000000, 0.0000666800000000, -0.0002891500000000 ] - [ 0.0021887100000000, 0.0010361700000000, -0.0035970800000000 ] - [ -0.0010703000000000, -0.0001211600000000, -0.0006919200000000 ] - [ 0.0001362700000000, -0.0002997800000000, 0.0004332100000000 ] - [ 0.0004053600000000, -0.0001686200000000, 0.0001106100000000 ] - [ -0.0004462600000000, 0.0001110700000000, 0.0001186500000000 ] - [ 0.0003898100000000, 0.0001182500000000, 0.0042663400000000 ] - [ -0.0004426400000000, 0.0001171400000000, 0.0000631600000000 ] - [ -0.0003882800000000, 0.0001040200000000, -0.0000480700000000 ] - [ -0.0001134000000000, -0.0001719100000000, -0.0006860600000000 ] - [ 0.0002473400000000, -0.0002574700000000, -0.0006918800000000 ] - [ -0.0006804400000000, 0.0005722100000000, 0.0011790900000000 ] - [ -0.0000445700000000, 0.0000517800000000, 0.0008163100000000 ] - [ -0.0013351700000000, 0.0002066500000000, 0.0012927800000000 ] - [ 0.0008564100000000, -0.0009005300000000, 0.0002768000000000 ] - [ -0.0003015600000000, 0.0002556500000000, 0.0002730900000000 ] - [ 0.0089680600000000, -0.0024893600000000, 0.0044688200000000 ] - [ 0.0003082300000000, 0.0001811300000000, 0.0005568300000000 ] - [ 0.0003959500000000, 0.0002224800000000, -0.0001876400000000 ] - [ -0.0019320100000000, -0.0035982800000000, 0.0013404300000000 ] - [ 0.0001975500000000, -0.0006631100000000, 0.0002624800000000 ] - [ -0.0004484600000000, 0.0009147300000000, 0.0016887100000000 ] - [ 0.0022389300000000, 0.0002070800000000, 0.0033455400000000 ] - [ -0.0002866900000000, -0.0018531900000000, 0.0001312700000000 ] - [ 0.0007768400000000, 0.0000272900000000, -0.0004920900000000 ] - [ -0.0002154100000000, 0.0002166400000000, 0.0012306200000000 ] - [ -0.0000279300000000, 0.0001437700000000, -0.0002554500000000 ] - [ -0.0432875600000000, 0.0844686300000000, 0.0369132800000000 ] - [ 0.0002399000000000, -0.0000485200000000, 0.0001196300000000 ] - [ -0.0009127600000000, 0.0002809700000000, -0.0000664900000000 ] - [ -0.0004010300000000, -0.0002255500000000, 0.0005528900000000 ] - [ -0.0027507300000000, -0.0033986900000000, -0.0140859600000000 ] - [ 0.0001879600000000, 0.0001246600000000, -0.0004679500000000 ] - [ 0.0004807900000000, 0.0002705800000000, -0.0011762300000000 ] - [ -0.0001148400000000, 0.0003893600000000, -0.0003364700000000 ] - [ 0.0000782800000000, -0.0005381700000000, -0.0000417000000000 ] - [ 0.0001217900000000, -0.0000395100000000, 0.0003519400000000 ] - [ -0.0002391800000000, -0.0191652100000000, -0.0011259000000000 ] - [ 0.0000831600000000, -0.0002523000000000, -0.0004205400000000 ] - [ 0.0001041900000000, 0.0006600700000000, -0.0001068900000000 ] - [ 0.0001404400000000, 0.0005734500000000, 0.0003475600000000 ] - [ 0.0016927900000000, -0.0013795900000000, -0.0014920200000000 ] - [ -0.0005724400000000, -0.0001905600000000, 0.0002169600000000 ] - [ 0.0007086900000000, -0.0000540900000000, -0.0004680700000000 ] - [ 0.0006677200000000, -0.0006527600000000, -0.0005052700000000 ] - [ 0.0010452200000000, -0.0003375200000000, -0.0008883700000000 ] - [ -0.0011196600000000, -0.0012308500000000, -0.0012031400000000 ] - [ 0.0000642000000000, 0.0001375800000000, 0.0001390300000000 ] - [ 0.0000818000000000, 0.0001003500000000, 0.0004517300000000 ] - [ -0.0008300500000000, -0.0022101200000000, 0.0002085900000000 ] - [ -0.0002890400000000, -0.0011672500000000, -0.0002412400000000 ] - [ 0.0000447100000000, 0.0001711900000000, -0.0003720000000000 ] - [ 0.0000203800000000, 0.0002672800000000, -0.0002675400000000 ] - [ 0.0003665200000000, -0.0008200400000000, -0.0004741300000000 ] - [ 0.0004174700000000, -0.0006031400000000, -0.0003794200000000 ] - [ -0.0003568900000000, 0.0046170000000000, 0.0004053500000000 ] - [ 0.0004011200000000, 0.0013125800000000, 0.0003419800000000 ] - [ -0.0001738100000000, 0.0002136100000000, -0.0007597400000000 ] - [ 0.0004604200000000, 0.0002236500000000, -0.0004819300000000 ] - [ 0.0002218700000000, -0.0013828200000000, -0.0001827400000000 ] - [ -0.0001732200000000, -0.0003859800000000, 0.0003210900000000 ] - [ -0.0004240700000000, 0.0000692200000000, -0.0005147700000000 ] - [ -0.0000771100000000, 0.0004120200000000, 0.0002506600000000 ] - [ -0.0000522300000000, 0.0000794500000000, -0.0005247000000000 ] - [ -0.0000466900000000, 0.0001239800000000, -0.0003009500000000 ] - [ 0.0073196100000000, -0.0055538000000000, -0.0019535800000000 ] - [ -0.0006076200000000, 0.0001646800000000, 0.0003668400000000 ]- atom: 57 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0013927800000000, -0.0004760500000000, -0.0043851200000000 ] - [ -0.0004469300000000, 0.0001906600000000, -0.0004265100000000 ] - [ 0.0006897200000000, -0.0001774500000000, -0.0016648500000000 ] - [ -0.0010864600000000, -0.0002079100000000, -0.0014963000000000 ] - [ 0.0010835200000000, -0.0001390400000000, 0.0102131100000000 ] - [ 0.0028839600000000, 0.0016148900000000, 0.0011785800000000 ] - [ -0.0001231600000000, 0.0016793700000000, 0.0005561500000000 ] - [ 0.0004915500000000, 0.0004949400000000, 0.0002905400000000 ] - [ 0.0006916100000000, 0.0003254400000000, -0.0015770800000000 ] - [ -0.0001708000000000, 0.0001005300000000, -0.0007705900000000 ] - [ -0.0018585000000000, -0.0026236900000000, 0.0011549400000000 ] - [ 0.0008583000000000, -0.0008918100000000, 0.0003241700000000 ] - [ 0.0006019500000000, 0.0003607900000000, -0.0017515500000000 ] - [ -0.0012075700000000, 0.0002193100000000, -0.0014704600000000 ] - [ -0.0032714100000000, 0.0029959500000000, 0.0140923600000000 ] - [ 0.0004214400000000, -0.0005757600000000, 0.0007396100000000 ] - [ -0.0003982700000000, -0.0004294900000000, -0.0023768300000000 ] - [ 0.0001661900000000, -0.0001118300000000, -0.0019872500000000 ] - [ -0.0250294400000000, 0.0287014000000000, 0.0389713500000000 ] - [ 0.0007829700000000, -0.0003595500000000, 0.0031219700000000 ] - [ 0.0023038600000000, -0.0022733200000000, 0.0008423400000000 ] - [ -0.0010456800000000, -0.0013120800000000, 0.0023782600000000 ] - [ 0.0001665600000000, 0.0002646100000000, -0.0037427600000000 ] - [ -0.0006772100000000, 0.0001233800000000, -0.0014431200000000 ] - [ -0.0009271800000000, 0.0000391900000000, -0.0023802600000000 ] - [ 0.0013901400000000, -0.0000512800000000, -0.0021354600000000 ] - [ 0.0043512900000000, -0.0000227300000000, 0.0024086100000000 ] - [ -0.0067749200000000, 0.0002488400000000, 0.0077316600000000 ] - [ -0.0000239500000000, 0.0001145900000000, -0.0020657200000000 ] - [ -0.0001999100000000, 0.0001203900000000, -0.0017790300000000 ] - [ 0.0007045600000000, 0.0007418400000000, 0.0034986400000000 ] - [ -0.0005714700000000, -0.0001548000000000, 0.0024149600000000 ] - [ -0.0000761600000000, -0.0001806700000000, 0.0008459400000000 ] - [ -0.0000844700000000, -0.0001260400000000, 0.0006947100000000 ] - [ -0.0020622600000000, 0.0002235600000000, -0.0000164800000000 ] - [ 0.0067392700000000, -0.0038616200000000, 0.0013190400000000 ] - [ -0.0003207700000000, 0.0002050700000000, 0.0014114400000000 ] - [ -0.0002006600000000, 0.0002124900000000, 0.0012405000000000 ] - [ 0.0003878000000000, -0.0001015100000000, -0.0000859700000000 ] - [ 0.0005913900000000, -0.0000829900000000, -0.0002929600000000 ] - [ 0.0008729700000000, -0.0006777800000000, 0.0024873500000000 ] - [ -0.0003274600000000, -0.0000577200000000, 0.0014292300000000 ] - [ 0.0004444700000000, -0.0004578600000000, -0.0007961100000000 ] - [ 0.0014859100000000, -0.0004584500000000, -0.0009632500000000 ] - [ -0.0011430400000000, -0.0006040400000000, -0.0021654700000000 ] - [ -0.0002997400000000, 0.0010332400000000, -0.0072434700000000 ] - [ 0.0007823500000000, 0.0002363900000000, 0.0021338000000000 ] - [ 0.0004016300000000, 0.0002330400000000, 0.0022820400000000 ] - [ -0.0004516700000000, 0.0001905800000000, -0.0029334400000000 ] - [ -0.0009518300000000, 0.0001005700000000, -0.0019930300000000 ] - [ -0.0038665100000000, -0.0020760900000000, 0.0010812600000000 ] - [ 0.0015316700000000, 0.0001675900000000, -0.0004764200000000 ] - [ -0.0010373300000000, -0.0010011900000000, -0.0019553300000000 ] - [ -0.0002443800000000, -0.0002147900000000, -0.0014311100000000 ] - [ 0.0002600800000000, -0.0000815400000000, 0.0011006200000000 ] - [ -0.0017463000000000, -0.0006209100000000, 0.0014526600000000 ] - [ 0.0414320200000000, -0.0490001400000000, -0.0921412300000000 ] - [ -0.0003666600000000, -0.0002276400000000, -0.0006740000000000 ] - [ -0.0001659400000000, -0.0009681500000000, 0.0023961100000000 ] - [ -0.0005847600000000, -0.0002742900000000, 0.0009422700000000 ] - [ 0.0048650100000000, 0.0126265400000000, 0.0163043500000000 ] - [ -0.0004538200000000, 0.0000921400000000, -0.0007035100000000 ] - [ -0.0013576400000000, 0.0000908500000000, 0.0017030700000000 ] - [ 0.0003274600000000, 0.0000979100000000, 0.0001064400000000 ] - [ 0.0001782400000000, 0.0007810900000000, 0.0011913600000000 ] - [ 0.0000558800000000, 0.0001620900000000, 0.0006483100000000 ] - [ 0.0007045600000000, 0.0008828300000000, -0.0046065100000000 ] - [ -0.0003792300000000, -0.0002408900000000, -0.0011005700000000 ] - [ -0.0002564700000000, 0.0000461800000000, 0.0017371500000000 ] - [ 0.0002613800000000, 0.0004725500000000, 0.0009455900000000 ] - [ -0.0017959300000000, 0.0019057400000000, 0.0001413900000000 ] - [ 0.0001976300000000, -0.0004270700000000, -0.0003642300000000 ] - [ 0.0000827300000000, 0.0005084800000000, -0.0006025000000000 ] - [ 0.0007845000000000, 0.0005219900000000, -0.0008230800000000 ] - [ -0.0005761900000000, -0.0001596500000000, -0.0002263400000000 ] - [ 0.0025576900000000, 0.0015634400000000, -0.0004096400000000 ] - [ 0.0001627400000000, 0.0001957300000000, 0.0014574600000000 ] - [ 0.0000789300000000, 0.0001031900000000, 0.0010730800000000 ] - [ 0.0000779800000000, 0.0002435000000000, -0.0014272500000000 ] - [ -0.0000597600000000, -0.0003325300000000, -0.0009675400000000 ] - [ -0.0000727600000000, 0.0005462000000000, 0.0005630300000000 ] - [ 0.0000292800000000, 0.0004390200000000, 0.0003790500000000 ] - [ 0.0006960900000000, -0.0003203500000000, -0.0000398000000000 ] - [ 0.0002848200000000, -0.0004428500000000, -0.0000289900000000 ] - [ -0.0183840600000000, 0.0005764600000000, 0.0156161700000000 ] - [ 0.0003644500000000, 0.0009043400000000, -0.0003095500000000 ] - [ 0.0007668500000000, 0.0007973400000000, 0.0006195600000000 ] - [ -0.0004082800000000, 0.0008219600000000, 0.0003554000000000 ] - [ -0.0009113800000000, 0.0015183100000000, 0.0003748200000000 ] - [ 0.0004126400000000, 0.0000877500000000, 0.0001833600000000 ] - [ 0.0003715300000000, 0.0012226300000000, 0.0025612200000000 ] - [ -0.0003179900000000, 0.0002817500000000, 0.0007526100000000 ] - [ -0.0002861700000000, 0.0003146900000000, 0.0007722100000000 ] - [ 0.0001265200000000, 0.0000592600000000, 0.0002580800000000 ] - [ -0.0045497000000000, 0.0042924600000000, -0.0013878400000000 ] - [ 0.0002553500000000, -0.0002915200000000, -0.0008593500000000 ]- atom: 57 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0010585500000000, 0.0012316000000000, 0.0050112900000000 ] - [ 0.0007881600000000, 0.0005710000000000, 0.0010555900000000 ] - [ -0.0010413100000000, 0.0009491700000000, 0.0010469600000000 ] - [ 0.0007611900000000, 0.0009787100000000, 0.0008741100000000 ] - [ -0.0013159800000000, 0.0003585000000000, -0.0097569400000000 ] - [ -0.0033557900000000, -0.0012544300000000, -0.0008948000000000 ] - [ 0.0006093300000000, -0.0013181100000000, -0.0008646600000000 ] - [ -0.0000310900000000, -0.0001340900000000, -0.0005701400000000 ] - [ -0.0002251900000000, -0.0006785700000000, 0.0013208200000000 ] - [ 0.0006452000000000, -0.0004567500000000, 0.0005060300000000 ] - [ 0.0015353900000000, 0.0018678200000000, -0.0017568300000000 ] - [ -0.0012056000000000, 0.0001317200000000, -0.0009388200000000 ] - [ -0.0010854300000000, -0.0007266200000000, 0.0020268700000000 ] - [ 0.0007488000000000, -0.0005815500000000, 0.0017357100000000 ] - [ 0.0038507000000000, -0.0041508800000000, -0.0145694500000000 ] - [ -0.0000931400000000, -0.0001915700000000, -0.0001267500000000 ] - [ 0.0004858000000000, 0.0006882600000000, 0.0016440200000000 ] - [ -0.0000752200000000, 0.0003723000000000, 0.0012550800000000 ] - [ 0.0236522000000000, -0.0270805100000000, -0.0374497900000000 ] - [ -0.0008728100000000, 0.0000988700000000, -0.0023850200000000 ] - [ -0.0022250600000000, 0.0020226400000000, -0.0016100400000000 ] - [ 0.0011339700000000, 0.0010595100000000, -0.0031529500000000 ] - [ -0.0002586200000000, -0.0000073300000000, 0.0045277100000000 ] - [ 0.0005890600000000, 0.0001361400000000, 0.0021901100000000 ] - [ 0.0011178000000000, 0.0001187700000000, 0.0029096900000000 ] - [ -0.0011906600000000, 0.0002090000000000, 0.0026667300000000 ] - [ -0.0041953000000000, -0.0001335800000000, -0.0019429000000000 ] - [ 0.0070072300000000, -0.0004002600000000, -0.0073812400000000 ] - [ -0.0001689500000000, 0.0000428800000000, 0.0015537900000000 ] - [ 0.0000010900000000, 0.0000370400000000, 0.0012652500000000 ] - [ -0.0009192700000000, -0.0009055000000000, -0.0039922400000000 ] - [ 0.0003788600000000, -0.0000035500000000, -0.0029380100000000 ] - [ 0.0005275000000000, 0.0000032800000000, -0.0005869600000000 ] - [ 0.0005415700000000, -0.0000504300000000, -0.0004380500000000 ] - [ 0.0016227200000000, -0.0000485500000000, -0.0002339700000000 ] - [ -0.0072849300000000, 0.0040931100000000, -0.0015805900000000 ] - [ -0.0005044600000000, 0.0001326600000000, -0.0014868700000000 ] - [ -0.0006230100000000, 0.0001253600000000, -0.0013141300000000 ] - [ -0.0001322900000000, 0.0000463000000000, -0.0015603800000000 ] - [ -0.0003331500000000, 0.0000262700000000, -0.0013512600000000 ] - [ -0.0011294700000000, 0.0006210000000000, -0.0008496500000000 ] - [ 0.0000623800000000, 0.0000024500000000, 0.0002084600000000 ] - [ 0.0000192600000000, 0.0006316600000000, 0.0010451900000000 ] - [ -0.0010380500000000, 0.0006337500000000, 0.0012229300000000 ] - [ 0.0019631700000000, 0.0002637400000000, 0.0022689700000000 ] - [ 0.0012388200000000, -0.0014404600000000, 0.0074024600000000 ] - [ 0.0000412300000000, 0.0001012500000000, -0.0020761500000000 ] - [ 0.0004173300000000, 0.0001054000000000, -0.0022281000000000 ] - [ -0.0003620900000000, -0.0005175800000000, 0.0028625600000000 ] - [ 0.0001297500000000, -0.0004403300000000, 0.0019296000000000 ] - [ 0.0036525500000000, 0.0021619900000000, 0.0005665700000000 ] - [ -0.0017845900000000, -0.0001123300000000, 0.0021606500000000 ] - [ 0.0013007900000000, 0.0010606700000000, 0.0003039200000000 ] - [ 0.0005019600000000, 0.0002680100000000, -0.0002139500000000 ] - [ -0.0007148000000000, -0.0000959400000000, -0.0013718600000000 ] - [ 0.0012926300000000, 0.0004412500000000, -0.0017148000000000 ] - [ -0.0403780400000000, 0.0467902800000000, 0.0923620800000000 ] - [ 0.0004194600000000, -0.0005688300000000, 0.0011525700000000 ] - [ -0.0008135900000000, 0.0002058700000000, -0.0015688400000000 ] - [ -0.0003825900000000, -0.0005029800000000, -0.0000946900000000 ] - [ -0.0048853000000000, -0.0125823900000000, -0.0168295600000000 ] - [ 0.0003240800000000, -0.0002806100000000, -0.0000644300000000 ] - [ 0.0012528000000000, 0.0000993800000000, -0.0024939100000000 ] - [ -0.0004591700000000, 0.0000923500000000, -0.0008698000000000 ] - [ -0.0000503200000000, -0.0005893100000000, -0.0004319400000000 ] - [ 0.0000718100000000, 0.0000271400000000, 0.0001124200000000 ] - [ -0.0008600700000000, -0.0012814600000000, 0.0038660500000000 ] - [ 0.0002317800000000, -0.0000175800000000, 0.0003652300000000 ] - [ 0.0003092400000000, 0.0007523000000000, -0.0012677200000000 ] - [ -0.0002119300000000, 0.0003221400000000, -0.0004697300000000 ] - [ 0.0014090100000000, -0.0026278000000000, 0.0003710200000000 ] - [ -0.0005939800000000, -0.0002967400000000, 0.0008906600000000 ] - [ 0.0008905600000000, 0.0002652600000000, -0.0002413700000000 ] - [ 0.0001836500000000, 0.0002497000000000, -0.0000175600000000 ] - [ 0.0009774000000000, -0.0005658900000000, -0.0002964700000000 ] - [ -0.0021922400000000, -0.0023052500000000, -0.0001054000000000 ] - [ -0.0000114000000000, 0.0000642700000000, -0.0007255600000000 ] - [ 0.0000693800000000, 0.0001552600000000, -0.0003401700000000 ] - [ -0.0001365700000000, -0.0010476100000000, 0.0009581700000000 ] - [ 0.0000122500000000, -0.0004648200000000, 0.0004921400000000 ] - [ 0.0000227300000000, 0.0002499400000000, -0.0010457200000000 ] - [ -0.0000815500000000, 0.0003572400000000, -0.0008610900000000 ] - [ 0.0002737000000000, -0.0004567100000000, -0.0008112200000000 ] - [ 0.0006861800000000, -0.0003343500000000, -0.0008219200000000 ] - [ 0.0170522900000000, 0.0002069800000000, -0.0144905400000000 ] - [ -0.0013413800000000, -0.0001282600000000, 0.0011536900000000 ] - [ -0.0003727500000000, -0.0000720100000000, -0.0011502700000000 ] - [ 0.0008009600000000, -0.0000965200000000, -0.0008875800000000 ] - [ 0.0010527400000000, -0.0017321800000000, 0.0003983000000000 ] - [ -0.0002870000000000, -0.0002784200000000, 0.0005845800000000 ] - [ -0.0007807100000000, -0.0005162900000000, -0.0020681400000000 ] - [ -0.0000746200000000, 0.0004439400000000, -0.0002265000000000 ] - [ 0.0001390200000000, -0.0000601400000000, -0.0015178200000000 ] - [ -0.0002780100000000, 0.0002002100000000, -0.0009962000000000 ] - [ 0.0047221200000000, -0.0045749400000000, 0.0021635000000000 ] - [ -0.0001015700000000, 0.0000356300000000, 0.0015999500000000 ]- atom: 59 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0002288200000000, -0.0003493100000000, 0.0031226700000000 ] - [ -0.0004101800000000, 0.0003068800000000, -0.0010284000000000 ] - [ -0.0019416800000000, 0.0032848900000000, -0.0002034900000000 ] - [ 0.0003774000000000, -0.0002312400000000, -0.0003298000000000 ] - [ -0.0002160400000000, 0.0002298700000000, 0.0000024600000000 ] - [ -0.0002842400000000, 0.0000388600000000, 0.0002902100000000 ] - [ 0.0024157600000000, 0.0003464500000000, -0.0003062500000000 ] - [ -0.0013183000000000, 0.0004396700000000, 0.0003331600000000 ] - [ 0.0004641300000000, 0.0001586000000000, 0.0008896800000000 ] - [ -0.0000877400000000, -0.0001557900000000, -0.0006809500000000 ] - [ -0.0001668800000000, -0.0004084900000000, -0.0003606000000000 ] - [ -0.0001605300000000, -0.0002657800000000, -0.0001391200000000 ] - [ -0.0072536600000000, -0.0044560600000000, -0.0002427500000000 ] - [ 0.0177919600000000, -0.0052519800000000, 0.0001017400000000 ] - [ 0.0059083800000000, -0.0011301900000000, -0.0010611900000000 ] - [ -0.0019971800000000, -0.0007761600000000, 0.0006397500000000 ] - [ -0.0014643200000000, -0.0002291200000000, -0.0002938500000000 ] - [ 0.0017917500000000, 0.0011578000000000, -0.0012585900000000 ] - [ 0.0011431200000000, -0.0003043700000000, 0.0016668600000000 ] - [ -0.0009220800000000, -0.0001922600000000, -0.0002679800000000 ] - [ -0.0002210100000000, 0.0004876500000000, -0.0013854200000000 ] - [ 0.0000549400000000, -0.0001933300000000, 0.0003572600000000 ] - [ 0.0276713700000000, -0.0140924800000000, -0.0105264400000000 ] - [ -0.0036949600000000, -0.0009082000000000, -0.0002571300000000 ] - [ -0.0011070700000000, 0.0001024200000000, 0.0007106700000000 ] - [ 0.0011098800000000, 0.0008178500000000, -0.0017265800000000 ] - [ -0.0024231600000000, 0.0001284900000000, -0.0012435000000000 ] - [ -0.0023162200000000, -0.0004955500000000, 0.0028076600000000 ] - [ 0.0056987600000000, -0.0005972800000000, -0.0007844800000000 ] - [ -0.0046515600000000, -0.0000909300000000, -0.0016168700000000 ] - [ 0.0001844800000000, -0.0000595500000000, 0.0001644400000000 ] - [ -0.0003925900000000, -0.0000992800000000, -0.0006858300000000 ] - [ -0.0032347400000000, -0.0023112600000000, 0.0011125000000000 ] - [ 0.0030605000000000, 0.0003288500000000, -0.0004082100000000 ] - [ 0.0011814100000000, 0.0002196800000000, 0.0002008200000000 ] - [ 0.0020851200000000, -0.0018870800000000, -0.0054079000000000 ] - [ -0.0016522100000000, 0.0002966900000000, 0.0002423400000000 ] - [ 0.0006363400000000, 0.0001372600000000, 0.0008973500000000 ] - [ -0.0024120000000000, 0.0016106900000000, -0.0016083500000000 ] - [ 0.0040505200000000, -0.0029803800000000, 0.0000596700000000 ] - [ 0.0005420500000000, -0.0002398200000000, 0.0006240300000000 ] - [ -0.0002804200000000, 0.0000200400000000, 0.0012363700000000 ] - [ 0.0000823600000000, 0.0000948000000000, -0.0000356500000000 ] - [ 0.0003525800000000, 0.0000645300000000, 0.0002769000000000 ] - [ 0.0011467800000000, -0.0002860500000000, 0.0016069600000000 ] - [ 0.0006888400000000, 0.0001577600000000, -0.0026912800000000 ] - [ 0.0013598000000000, 0.0001601900000000, -0.0001640700000000 ] - [ -0.0013006300000000, 0.0022115600000000, 0.0048866000000000 ] - [ -0.0006203900000000, -0.0001964600000000, -0.0004557500000000 ] - [ -0.0002042400000000, -0.0002348300000000, 0.0004024200000000 ] - [ 0.0020841100000000, 0.0010654100000000, 0.0031932400000000 ] - [ 0.0011061100000000, 0.0000061600000000, -0.0006095500000000 ] - [ -0.0001027900000000, -0.0000106600000000, -0.0010712100000000 ] - [ 0.0003875100000000, 0.0000432400000000, -0.0005949900000000 ] - [ 0.0006389100000000, 0.0000152600000000, -0.0003471000000000 ] - [ -0.0019345200000000, -0.0005841700000000, 0.0006035500000000 ] - [ -0.0005387900000000, 0.0000243800000000, 0.0004183100000000 ] - [ 0.0004151800000000, -0.0004839600000000, 0.0002438300000000 ] - [ -0.0734007500000000, 0.0398976800000000, 0.0224003600000000 ] - [ 0.0014536700000000, -0.0005887400000000, 0.0003499100000000 ] - [ -0.0000708400000000, -0.0000439800000000, -0.0006141400000000 ] - [ 0.0000062500000000, -0.0000994500000000, -0.0002797000000000 ] - [ 0.0199324400000000, -0.0153910700000000, 0.0025645800000000 ] - [ 0.0022972400000000, 0.0016185800000000, -0.0003518100000000 ] - [ 0.0001881300000000, 0.0002513500000000, 0.0001491600000000 ] - [ 0.0000405200000000, -0.0001281100000000, 0.0008019200000000 ] - [ -0.0004885600000000, -0.0002813000000000, -0.0005768000000000 ] - [ 0.0002696300000000, -0.0000159100000000, -0.0003878500000000 ] - [ 0.0096492500000000, 0.0004731300000000, -0.0156014300000000 ] - [ 0.0015631100000000, 0.0012778600000000, 0.0015349400000000 ] - [ -0.0003684800000000, -0.0003666400000000, -0.0002124700000000 ] - [ -0.0000580000000000, -0.0003328600000000, 0.0005113500000000 ] - [ 0.0008926900000000, 0.0001766900000000, -0.0002103500000000 ] - [ 0.0002467100000000, 0.0001663000000000, -0.0006897800000000 ] - [ 0.0009473300000000, -0.0006910200000000, 0.0005188500000000 ] - [ -0.0003111200000000, -0.0000155900000000, -0.0008250400000000 ] - [ 0.0010425000000000, 0.0009727100000000, -0.0002374300000000 ] - [ -0.0004914500000000, -0.0011348800000000, 0.0026064200000000 ] - [ -0.0001187400000000, -0.0005169400000000, -0.0000457400000000 ] - [ 0.0000438600000000, -0.0004658700000000, -0.0004265400000000 ] - [ 0.0004208000000000, 0.0001786500000000, -0.0005363400000000 ] - [ -0.0002796100000000, 0.0002184900000000, 0.0000027100000000 ] - [ 0.0007609600000000, -0.0003973300000000, -0.0003644600000000 ] - [ 0.0001729800000000, -0.0004615300000000, -0.0004276000000000 ] - [ -0.0007060900000000, 0.0004148500000000, 0.0000225200000000 ] - [ -0.0003157900000000, 0.0003926600000000, 0.0006720700000000 ] - [ 0.0006246100000000, 0.0003187000000000, -0.0002360000000000 ] - [ -0.0004921800000000, 0.0005680400000000, -0.0001589500000000 ] - [ -0.0002082900000000, -0.0007105900000000, 0.0008841500000000 ] - [ 0.0003223100000000, -0.0000873900000000, 0.0001798200000000 ] - [ -0.0062389500000000, 0.0012647100000000, 0.0003575800000000 ] - [ 0.0011486700000000, 0.0006400000000000, 0.0002105900000000 ] - [ -0.0004714100000000, -0.0017130600000000, -0.0018427500000000 ] - [ 0.0003673000000000, 0.0004290700000000, 0.0000412100000000 ] - [ 0.0001054100000000, -0.0002161800000000, 0.0007411000000000 ] - [ 0.0001751900000000, -0.0000549500000000, 0.0001777800000000 ]- atom: 59 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ 0.0001192400000000, 0.0011154300000000, -0.0025017100000000 ] - [ 0.0007415300000000, 0.0004608800000000, 0.0016654900000000 ] - [ 0.0016222500000000, -0.0025171300000000, -0.0004152100000000 ] - [ -0.0007625800000000, 0.0009785800000000, -0.0002905600000000 ] - [ -0.0002523200000000, 0.0001275900000000, 0.0002747500000000 ] - [ -0.0001868200000000, 0.0003185200000000, -0.0000297600000000 ] - [ -0.0019492500000000, 0.0000138800000000, 0.0000487700000000 ] - [ 0.0017972100000000, -0.0000877800000000, -0.0006169400000000 ] - [ 0.0000168200000000, -0.0005195600000000, -0.0011631500000000 ] - [ 0.0005494800000000, -0.0002058900000000, 0.0004149300000000 ] - [ -0.0001702700000000, -0.0003543700000000, -0.0002582300000000 ] - [ -0.0001787000000000, -0.0004976700000000, -0.0004863800000000 ] - [ 0.0067897100000000, 0.0040890300000000, 0.0005171100000000 ] - [ -0.0193755000000000, 0.0054320000000000, 0.0001268400000000 ] - [ -0.0055691100000000, 0.0003615500000000, 0.0017414000000000 ] - [ 0.0023419900000000, 0.0000198500000000, -0.0000297100000000 ] - [ 0.0015662900000000, 0.0004873300000000, -0.0004346200000000 ] - [ -0.0017169400000000, -0.0009074500000000, 0.0005191100000000 ] - [ -0.0012404900000000, 0.0000487700000000, -0.0009290700000000 ] - [ 0.0008343000000000, -0.0000667700000000, 0.0010069400000000 ] - [ 0.0003248700000000, -0.0007520000000000, 0.0006428100000000 ] - [ 0.0000249800000000, -0.0000726600000000, -0.0010985200000000 ] - [ -0.0275475100000000, 0.0135819500000000, 0.0106396900000000 ] - [ 0.0036229000000000, 0.0011891000000000, 0.0010129900000000 ] - [ 0.0013086600000000, 0.0000559700000000, -0.0001806300000000 ] - [ -0.0008977000000000, -0.0006505700000000, 0.0021640600000000 ] - [ 0.0026371600000000, -0.0002856800000000, 0.0017625100000000 ] - [ 0.0024910600000000, 0.0003391000000000, -0.0023123200000000 ] - [ -0.0058913200000000, 0.0007664400000000, 0.0002721400000000 ] - [ 0.0044985000000000, 0.0002521000000000, 0.0011265600000000 ] - [ -0.0003792900000000, -0.0000979900000000, -0.0006800700000000 ] - [ 0.0001955400000000, -0.0000584300000000, 0.0001672200000000 ] - [ 0.0037103200000000, 0.0021362000000000, -0.0008557900000000 ] - [ -0.0026250000000000, -0.0005073500000000, 0.0006698600000000 ] - [ -0.0016490900000000, -0.0000423800000000, -0.0004512600000000 ] - [ -0.0025185100000000, 0.0020791900000000, 0.0051986100000000 ] - [ 0.0008332900000000, 0.0000401200000000, -0.0003155600000000 ] - [ -0.0014665400000000, 0.0002020800000000, -0.0009847300000000 ] - [ 0.0026668000000000, -0.0016637400000000, -0.0000364100000000 ] - [ -0.0038392500000000, 0.0029802500000000, -0.0017130100000000 ] - [ -0.0008033300000000, 0.0001845800000000, 0.0010182100000000 ] - [ 0.0000487400000000, -0.0000787600000000, 0.0004405200000000 ] - [ 0.0003729000000000, 0.0000828500000000, 0.0002948000000000 ] - [ 0.0001028700000000, 0.0001127300000000, -0.0000190700000000 ] - [ -0.0003277000000000, -0.0000525900000000, -0.0015350200000000 ] - [ 0.0001390800000000, -0.0004979300000000, 0.0027809100000000 ] - [ -0.0005424200000000, 0.0001755500000000, 0.0002244100000000 ] - [ 0.0021468200000000, -0.0018480300000000, -0.0047077600000000 ] - [ -0.0001999400000000, -0.0001400800000000, 0.0003862800000000 ] - [ -0.0006184600000000, -0.0001023700000000, -0.0004692600000000 ] - [ -0.0023487700000000, -0.0010107800000000, -0.0015395200000000 ] - [ -0.0013535000000000, 0.0000471000000000, 0.0022828700000000 ] - [ 0.0003578400000000, 0.0000659500000000, -0.0005744400000000 ] - [ -0.0001297400000000, 0.0000132300000000, -0.0010486500000000 ] - [ -0.0010939300000000, -0.0001931100000000, 0.0000858500000000 ] - [ 0.0014637100000000, 0.0004080400000000, -0.0008414100000000 ] - [ 0.0005946100000000, -0.0008299700000000, 0.0000525200000000 ] - [ -0.0003648500000000, -0.0003158000000000, 0.0002384100000000 ] - [ 0.0728170400000000, -0.0403912200000000, -0.0209691300000000 ] - [ -0.0024318700000000, -0.0001917800000000, 0.0004977900000000 ] - [ -0.0000604200000000, -0.0001468200000000, -0.0001548200000000 ] - [ -0.0001353800000000, -0.0000921700000000, -0.0004859500000000 ] - [ -0.0196929000000000, 0.0152384100000000, -0.0032691300000000 ] - [ -0.0024440100000000, -0.0014535300000000, -0.0004141800000000 ] - [ -0.0000593300000000, -0.0000603800000000, 0.0006183500000000 ] - [ 0.0000924900000000, 0.0003207600000000, -0.0000347600000000 ] - [ 0.0003411600000000, 0.0000261200000000, -0.0001588000000000 ] - [ -0.0004201400000000, -0.0002408300000000, -0.0003442700000000 ] - [ -0.0095273900000000, 0.0003121400000000, 0.0158631100000000 ] - [ -0.0015222600000000, -0.0004942100000000, -0.0010770600000000 ] - [ -0.0000250100000000, -0.0003559000000000, 0.0007419400000000 ] - [ -0.0003356900000000, -0.0003898400000000, 0.0000160000000000 ] - [ 0.0000721900000000, 0.0006026300000000, -0.0006329900000000 ] - [ 0.0007288500000000, 0.0006153400000000, -0.0001554600000000 ] - [ -0.0005556600000000, -0.0000350100000000, -0.0010388200000000 ] - [ 0.0007214600000000, -0.0007051700000000, 0.0002961400000000 ] - [ -0.0008974300000000, -0.0007175700000000, 0.0009706500000000 ] - [ 0.0006569100000000, 0.0013999000000000, -0.0018924300000000 ] - [ 0.0000670500000000, -0.0002780300000000, -0.0004328700000000 ] - [ -0.0000925800000000, -0.0003295000000000, -0.0000480600000000 ] - [ -0.0004767000000000, 0.0006240500000000, 0.0000565700000000 ] - [ 0.0002346100000000, 0.0005872100000000, -0.0004794500000000 ] - [ 0.0002107100000000, -0.0003779300000000, -0.0004834900000000 ] - [ 0.0008000800000000, -0.0003126000000000, -0.0004154800000000 ] - [ -0.0002654600000000, 0.0003603900000000, 0.0008257200000000 ] - [ -0.0006551500000000, 0.0003832800000000, 0.0001740600000000 ] - [ -0.0002312000000000, 0.0004041200000000, -0.0002945200000000 ] - [ 0.0008891800000000, 0.0001537100000000, -0.0003673600000000 ] - [ 0.0003284700000000, 0.0005269600000000, -0.0001181800000000 ] - [ -0.0001864200000000, -0.0001003200000000, 0.0005925500000000 ] - [ 0.0058784600000000, -0.0003314500000000, 0.0001606700000000 ] - [ -0.0015479100000000, 0.0000796500000000, 0.0003158700000000 ] - [ 0.0003034900000000, 0.0019769300000000, 0.0011116200000000 ] - [ -0.0005124700000000, -0.0001771200000000, -0.0007817800000000 ] - [ 0.0000353900000000, -0.0000363700000000, -0.0000114300000000 ] - [ -0.0000228100000000, -0.0002029900000000, 0.0005615600000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002032200000000, 0.0011747300000000, 0.0003527100000000 ] - [ 0.0001496200000000, 0.0011323500000000, 0.0009934100000000 ] - [ 0.0012111400000000, -0.0025632700000000, -0.0003477700000000 ] - [ -0.0033606700000000, -0.0033753700000000, -0.0003436100000000 ] - [ -0.0001933900000000, 0.0003370600000000, 0.0003096900000000 ] - [ -0.0002115200000000, 0.0003427000000000, -0.0005857800000000 ] - [ -0.0005034300000000, -0.0028134200000000, -0.0029048400000000 ] - [ 0.0006656700000000, -0.0004084000000000, -0.0004593700000000 ] - [ 0.0005915500000000, -0.0010024100000000, -0.0007846000000000 ] - [ -0.0001197900000000, -0.0007848200000000, -0.0001708800000000 ] - [ -0.0001852800000000, -0.0005930200000000, -0.0004022200000000 ] - [ -0.0001342300000000, -0.0006660900000000, -0.0003558800000000 ] - [ -0.0028327500000000, 0.0021661900000000, 0.0004331100000000 ] - [ -0.0044744500000000, 0.0046002300000000, 0.0004803300000000 ] - [ -0.0007357000000000, 0.0060460100000000, 0.0009114700000000 ] - [ 0.0006460200000000, 0.0004143000000000, 0.0003563100000000 ] - [ 0.0003397200000000, -0.0002267500000000, -0.0000159500000000 ] - [ 0.0004925500000000, -0.0017216400000000, 0.0016879300000000 ] - [ -0.0006880200000000, 0.0004623000000000, -0.0004731800000000 ] - [ -0.0001263300000000, 0.0000817100000000, 0.0000281100000000 ] - [ 0.0006150400000000, -0.0010592400000000, 0.0002139300000000 ] - [ -0.0004885600000000, -0.0011861200000000, 0.0000165300000000 ] - [ -0.0157200200000000, 0.0450619400000000, 0.0201961100000000 ] - [ 0.0004050700000000, 0.0012940900000000, 0.0003623000000000 ] - [ 0.0003531100000000, 0.0000903200000000, 0.0002519200000000 ] - [ 0.0007423200000000, 0.0007812800000000, -0.0048596700000000 ] - [ -0.0008181400000000, 0.0000115200000000, -0.0001749100000000 ] - [ 0.0021160300000000, 0.0000686400000000, -0.0010890800000000 ] - [ -0.0035862900000000, -0.0023171100000000, 0.0029034100000000 ] - [ 0.0012973000000000, 0.0001315200000000, 0.0004929200000000 ] - [ -0.0000709900000000, -0.0000634000000000, -0.0002464100000000 ] - [ -0.0001386400000000, -0.0000710300000000, -0.0002459700000000 ] - [ 0.0013710500000000, 0.0067540200000000, -0.0009187900000000 ] - [ -0.0004645700000000, 0.0000765300000000, 0.0002268700000000 ] - [ 0.0001449200000000, -0.0000600500000000, -0.0001146100000000 ] - [ -0.0034801400000000, -0.0003445000000000, 0.0036737200000000 ] - [ -0.0001644300000000, 0.0007393700000000, -0.0017529100000000 ] - [ -0.0007420700000000, 0.0002778100000000, -0.0005857800000000 ] - [ 0.0016331800000000, 0.0020318000000000, -0.0009245500000000 ] - [ -0.0010969900000000, 0.0017053600000000, -0.0010857200000000 ] - [ -0.0003111900000000, -0.0001099100000000, 0.0008368000000000 ] - [ 0.0014784300000000, -0.0002000000000000, 0.0029481000000000 ] - [ 0.0002606400000000, 0.0001928100000000, 0.0002048300000000 ] - [ 0.0002588600000000, 0.0001538800000000, 0.0001040400000000 ] - [ 0.0007124400000000, -0.0002323000000000, 0.0007695300000000 ] - [ -0.0000102000000000, -0.0003353800000000, 0.0020852600000000 ] - [ 0.0001621100000000, -0.0000083600000000, 0.0000332200000000 ] - [ 0.0015269000000000, 0.0011989300000000, 0.0105935600000000 ] - [ -0.0003684800000000, 0.0000234800000000, -0.0001088900000000 ] - [ -0.0004766700000000, -0.0000565500000000, -0.0000868800000000 ] - [ 0.0013706700000000, -0.0009222400000000, 0.0019087700000000 ] - [ -0.0012032200000000, -0.0001243900000000, 0.0015389500000000 ] - [ 0.0000600000000000, 0.0000863400000000, -0.0007981800000000 ] - [ 0.0001378800000000, 0.0001739600000000, -0.0007774700000000 ] - [ -0.0003864300000000, -0.0001754700000000, -0.0001012100000000 ] - [ -0.0014403600000000, -0.0002409600000000, 0.0015678800000000 ] - [ 0.0004481300000000, -0.0010687500000000, -0.0002550900000000 ] - [ 0.0000358000000000, -0.0005620500000000, 0.0003608100000000 ] - [ 0.0390477300000000, -0.0911254500000000, -0.0293566800000000 ] - [ -0.0006842800000000, -0.0008797200000000, 0.0003906300000000 ] - [ -0.0000533100000000, -0.0002347800000000, -0.0003368900000000 ] - [ -0.0000450300000000, -0.0002821700000000, -0.0002864700000000 ] - [ -0.0142160200000000, 0.0040007900000000, -0.0019193700000000 ] - [ 0.0002871000000000, -0.0010198100000000, -0.0003528400000000 ] - [ 0.0000445500000000, 0.0002181300000000, 0.0003461800000000 ] - [ -0.0000338300000000, 0.0004072800000000, 0.0000712100000000 ] - [ 0.0000354500000000, -0.0001296800000000, 0.0000552200000000 ] - [ -0.0001111600000000, -0.0001071000000000, -0.0002208100000000 ] - [ 0.0001571000000000, -0.0038341700000000, 0.0001525000000000 ] - [ -0.0005557700000000, -0.0005257000000000, -0.0004569600000000 ] - [ -0.0001603300000000, -0.0003415800000000, 0.0004688000000000 ] - [ -0.0002133500000000, -0.0003529400000000, 0.0003069500000000 ] - [ 0.0002727400000000, 0.0008573300000000, -0.0003963000000000 ] - [ 0.0002583900000000, 0.0012855900000000, -0.0002611500000000 ] - [ -0.0002958000000000, -0.0002179700000000, -0.0006528800000000 ] - [ 0.0012657800000000, 0.0001132600000000, -0.0012143000000000 ] - [ 0.0000565500000000, 0.0000409000000000, 0.0001507800000000 ] - [ -0.0004787000000000, 0.0006975100000000, -0.0015519000000000 ] - [ 0.0001461200000000, 0.0000341000000000, -0.0002614400000000 ] - [ 0.0000080400000000, -0.0001836600000000, -0.0001723500000000 ] - [ -0.0002442200000000, 0.0008418800000000, -0.0001741800000000 ] - [ -0.0002528100000000, 0.0014420700000000, -0.0001643200000000 ] - [ 0.0004949500000000, -0.0002526300000000, -0.0004876100000000 ] - [ 0.0005603900000000, 0.0001346500000000, -0.0006528000000000 ] - [ -0.0005134800000000, 0.0001591900000000, 0.0006861100000000 ] - [ -0.0004906500000000, 0.0002343700000000, 0.0005077600000000 ] - [ 0.0001633000000000, 0.0003556500000000, -0.0003814700000000 ] - [ 0.0004014500000000, 0.0001872900000000, -0.0008331200000000 ] - [ -0.0004317300000000, 0.0010543200000000, -0.0003464500000000 ] - [ 0.0002772800000000, 0.0001574900000000, 0.0003048500000000 ] - [ 0.0026098100000000, 0.0311920700000000, -0.0004018900000000 ] - [ -0.0005042900000000, 0.0002812800000000, 0.0002676500000000 ] - [ -0.0016985700000000, 0.0015552900000000, 0.0015293900000000 ] - [ 0.0001462900000000, 0.0000093100000000, -0.0003273100000000 ] - [ -0.0003797000000000, 0.0001266100000000, -0.0002180100000000 ] - [ 0.0002336400000000, -0.0002171900000000, 0.0003171500000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001376000000000, -0.0004017400000000, 0.0002549900000000 ] - [ 0.0001882300000000, -0.0003658900000000, -0.0003687000000000 ] - [ -0.0015631600000000, 0.0033086600000000, -0.0002754200000000 ] - [ 0.0030586100000000, 0.0041228600000000, -0.0002805400000000 ] - [ -0.0002768400000000, 0.0000174200000000, -0.0000388600000000 ] - [ -0.0002602900000000, 0.0000113200000000, 0.0008518700000000 ] - [ 0.0009689500000000, 0.0031661700000000, 0.0025949600000000 ] - [ -0.0001937800000000, 0.0007666900000000, 0.0001863000000000 ] - [ -0.0001214800000000, 0.0006370700000000, 0.0005182300000000 ] - [ 0.0005908800000000, 0.0004217500000000, -0.0000958200000000 ] - [ -0.0001531200000000, -0.0001686100000000, -0.0002215600000000 ] - [ -0.0002049700000000, -0.0000957100000000, -0.0002652100000000 ] - [ 0.0023673600000000, -0.0024915800000000, -0.0001536800000000 ] - [ 0.0038684200000000, -0.0049142800000000, -0.0002147800000000 ] - [ 0.0011103800000000, -0.0068704300000000, -0.0001385500000000 ] - [ -0.0003082100000000, -0.0011789000000000, 0.0002655200000000 ] - [ -0.0002484600000000, 0.0004908700000000, -0.0007218500000000 ] - [ -0.0003924800000000, 0.0019846400000000, -0.0024019100000000 ] - [ 0.0005987600000000, -0.0007194800000000, 0.0012134600000000 ] - [ 0.0000365500000000, -0.0003414900000000, 0.0007125800000000 ] - [ -0.0005281300000000, 0.0007906200000000, -0.0009600600000000 ] - [ 0.0005797700000000, 0.0009167000000000, -0.0007636600000000 ] - [ 0.0170579900000000, -0.0467256600000000, -0.0213536100000000 ] - [ -0.0004939000000000, -0.0010354800000000, 0.0003791000000000 ] - [ -0.0001524900000000, 0.0000663100000000, 0.0002656800000000 ] - [ -0.0005499300000000, -0.0006140700000000, 0.0053331400000000 ] - [ 0.0010197100000000, -0.0001728200000000, 0.0006945300000000 ] - [ -0.0019389200000000, -0.0002345800000000, 0.0016141200000000 ] - [ 0.0033354200000000, 0.0024772800000000, -0.0033728300000000 ] - [ -0.0014896500000000, 0.0000230900000000, -0.0010086600000000 ] - [ -0.0001252600000000, -0.0000949300000000, -0.0002730000000000 ] - [ -0.0000579500000000, -0.0000875400000000, -0.0002725600000000 ] - [ -0.0009122900000000, -0.0068237100000000, 0.0011588700000000 ] - [ 0.0009196600000000, -0.0002537300000000, 0.0000307300000000 ] - [ -0.0006033000000000, 0.0002352800000000, -0.0001423900000000 ] - [ 0.0030254400000000, 0.0004871200000000, -0.0039307400000000 ] - [ -0.0006543900000000, -0.0004039700000000, 0.0016567600000000 ] - [ -0.0000819700000000, 0.0000586700000000, 0.0005135900000000 ] - [ -0.0013538100000000, -0.0020695400000000, -0.0007230200000000 ] - [ 0.0013530400000000, -0.0017690600000000, -0.0005604300000000 ] - [ 0.0000522700000000, 0.0000566100000000, 0.0008098800000000 ] - [ -0.0017230900000000, 0.0001418200000000, -0.0012906900000000 ] - [ 0.0001939300000000, -0.0000161200000000, 0.0000532100000000 ] - [ 0.0001958700000000, 0.0000224000000000, 0.0001533900000000 ] - [ 0.0001085000000000, -0.0001059100000000, -0.0007008300000000 ] - [ 0.0008333300000000, -0.0000005200000000, -0.0020163200000000 ] - [ 0.0006566600000000, 0.0003466900000000, 0.0000352700000000 ] - [ -0.0007067100000000, -0.0008309700000000, -0.0105200900000000 ] - [ -0.0004530800000000, -0.0003607300000000, 0.0000416200000000 ] - [ -0.0003452800000000, -0.0002813400000000, 0.0000182400000000 ] - [ -0.0016294800000000, 0.0009633800000000, -0.0002637600000000 ] - [ 0.0009530400000000, 0.0001771600000000, 0.0001113300000000 ] - [ 0.0001963900000000, -0.0000318100000000, -0.0008469900000000 ] - [ 0.0001182900000000, -0.0001189000000000, -0.0008680300000000 ] - [ -0.0000714200000000, -0.0000019400000000, -0.0001555200000000 ] - [ 0.0009799700000000, 0.0000649500000000, -0.0018141200000000 ] - [ -0.0003974000000000, 0.0002669800000000, 0.0007308200000000 ] - [ 0.0000149600000000, -0.0002384900000000, 0.0001177600000000 ] - [ -0.0412792500000000, 0.0929982600000000, 0.0318696200000000 ] - [ -0.0002868100000000, 0.0001002400000000, 0.0004556100000000 ] - [ -0.0000788200000000, 0.0000429500000000, -0.0004301700000000 ] - [ -0.0000856300000000, 0.0000899800000000, -0.0004813200000000 ] - [ 0.0141864800000000, -0.0037779300000000, 0.0011597600000000 ] - [ -0.0004126600000000, 0.0012111200000000, -0.0004138500000000 ] - [ 0.0000861700000000, -0.0000309300000000, 0.0004212500000000 ] - [ 0.0001635100000000, -0.0002188100000000, 0.0006937600000000 ] - [ -0.0001867500000000, -0.0001302000000000, -0.0007878300000000 ] - [ -0.0000389700000000, -0.0001509600000000, -0.0005145700000000 ] - [ -0.0002097100000000, 0.0046161600000000, 0.0004350900000000 ] - [ 0.0006064700000000, 0.0013178800000000, 0.0009315000000000 ] - [ -0.0002330800000000, -0.0003838900000000, 0.0000596300000000 ] - [ -0.0001805800000000, -0.0003713700000000, 0.0002202800000000 ] - [ 0.0006992700000000, -0.0000803500000000, -0.0004481600000000 ] - [ 0.0007065300000000, -0.0005064200000000, -0.0005775400000000 ] - [ 0.0006911500000000, -0.0005033200000000, 0.0001264500000000 ] - [ -0.0008668100000000, -0.0008267700000000, 0.0006909300000000 ] - [ 0.0000897000000000, 0.0002082500000000, 0.0005846500000000 ] - [ 0.0006206800000000, -0.0004478100000000, 0.0022788500000000 ] - [ -0.0001952200000000, -0.0008304700000000, -0.0002131100000000 ] - [ -0.0000598200000000, -0.0006142200000000, -0.0003035500000000 ] - [ 0.0001952600000000, -0.0000432600000000, -0.0003064200000000 ] - [ 0.0001963800000000, -0.0006404400000000, -0.0003231400000000 ] - [ 0.0004764200000000, -0.0005250600000000, -0.0003587600000000 ] - [ 0.0004114000000000, -0.0009094100000000, -0.0001984900000000 ] - [ -0.0004582900000000, 0.0006168700000000, 0.0001607800000000 ] - [ -0.0004807800000000, 0.0005412600000000, 0.0003378100000000 ] - [ 0.0002299300000000, 0.0003656500000000, -0.0001462500000000 ] - [ -0.0000051800000000, 0.0005292500000000, 0.0003007900000000 ] - [ 0.0005675800000000, -0.0012364600000000, 0.0011227200000000 ] - [ -0.0001483000000000, -0.0003454300000000, 0.0004660800000000 ] - [ -0.0030587600000000, -0.0312529800000000, 0.0009394500000000 ] - [ 0.0001095600000000, 0.0004443100000000, 0.0002584100000000 ] - [ 0.0015570300000000, -0.0012890600000000, -0.0022735700000000 ] - [ -0.0002983100000000, 0.0002512700000000, -0.0004109300000000 ] - [ 0.0005257300000000, -0.0003809300000000, 0.0009522400000000 ] - [ -0.0000842900000000, -0.0000396200000000, 0.0004202500000000 ]- atom: 59 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0015245400000000, 0.0018935500000000, -0.0035068500000000 ] - [ -0.0008684700000000, 0.0010690900000000, -0.0002069200000000 ] - [ 0.0003896700000000, -0.0003680000000000, 0.0012485600000000 ] - [ -0.0004720800000000, 0.0005065700000000, 0.0016493700000000 ] - [ -0.0004504500000000, 0.0002145300000000, -0.0016788900000000 ] - [ -0.0000389700000000, 0.0001638100000000, -0.0023138900000000 ] - [ -0.0008048100000000, -0.0024399500000000, -0.0005845700000000 ] - [ 0.0009213000000000, -0.0004350700000000, 0.0000326400000000 ] - [ 0.0011117700000000, -0.0012648800000000, -0.0014318600000000 ] - [ -0.0007016300000000, -0.0009544100000000, -0.0005300000000000 ] - [ -0.0002525400000000, -0.0004225200000000, -0.0014843800000000 ] - [ -0.0000472800000000, -0.0004114900000000, -0.0017174100000000 ] - [ 0.0020448400000000, 0.0013464600000000, 0.0042456600000000 ] - [ -0.0033962800000000, 0.0004794300000000, 0.0054642100000000 ] - [ -0.0021393000000000, 0.0004900000000000, 0.0034399400000000 ] - [ 0.0010535000000000, 0.0002149300000000, 0.0005588800000000 ] - [ 0.0010209800000000, 0.0006038600000000, -0.0004111400000000 ] - [ -0.0004249600000000, 0.0009536400000000, -0.0003923300000000 ] - [ -0.0002903300000000, -0.0004560400000000, -0.0030543400000000 ] - [ -0.0005228600000000, -0.0000488700000000, -0.0011839500000000 ] - [ -0.0012076000000000, 0.0004867600000000, -0.0004381900000000 ] - [ 0.0008508500000000, 0.0004848700000000, -0.0015768500000000 ] - [ -0.0178315300000000, 0.0212291700000000, 0.0362308900000000 ] - [ 0.0008640200000000, 0.0003578900000000, 0.0021101000000000 ] - [ 0.0009911900000000, 0.0000483800000000, 0.0001358100000000 ] - [ 0.0004764000000000, 0.0017122800000000, -0.0094746900000000 ] - [ -0.0025058500000000, 0.0001775200000000, -0.0007799900000000 ] - [ 0.0070168200000000, 0.0008157600000000, -0.0023696900000000 ] - [ -0.0019109200000000, 0.0007727200000000, 0.0038777500000000 ] - [ 0.0012628100000000, 0.0000723200000000, 0.0012624400000000 ] - [ 0.0003455600000000, -0.0001147900000000, -0.0022711900000000 ] - [ -0.0006260000000000, -0.0000974100000000, -0.0015190300000000 ] - [ 0.0016878000000000, 0.0011226100000000, -0.0020222100000000 ] - [ -0.0004646800000000, -0.0002253500000000, -0.0002643000000000 ] - [ 0.0008529200000000, 0.0000129000000000, -0.0007162800000000 ] - [ -0.0090414000000000, 0.0042308800000000, 0.0076388300000000 ] - [ -0.0001452200000000, -0.0005947600000000, -0.0023734000000000 ] - [ -0.0008085700000000, 0.0001353100000000, -0.0011005300000000 ] - [ 0.0005536300000000, -0.0001811200000000, -0.0020056600000000 ] - [ -0.0011465800000000, 0.0008530100000000, -0.0015814800000000 ] - [ -0.0008940700000000, 0.0002393200000000, 0.0012313400000000 ] - [ 0.0029355700000000, -0.0004732600000000, 0.0046069900000000 ] - [ -0.0003817600000000, 0.0002511700000000, 0.0011318900000000 ] - [ 0.0003766500000000, 0.0000713900000000, 0.0006513200000000 ] - [ 0.0011269300000000, -0.0001897100000000, 0.0012113900000000 ] - [ -0.0008955900000000, -0.0006341400000000, 0.0038087900000000 ] - [ -0.0001778600000000, 0.0002901200000000, -0.0001212400000000 ] - [ 0.0031133800000000, 0.0075559500000000, 0.0158839000000000 ] - [ -0.0004671400000000, -0.0003098000000000, 0.0015419800000000 ] - [ -0.0001005200000000, -0.0002312300000000, 0.0008747000000000 ] - [ 0.0032173000000000, 0.0009099500000000, 0.0018744100000000 ] - [ -0.0030412200000000, 0.0001181100000000, 0.0004234500000000 ] - [ 0.0001932400000000, 0.0000336100000000, -0.0000312400000000 ] - [ 0.0006301100000000, 0.0002369400000000, -0.0001124200000000 ] - [ -0.0005634700000000, -0.0001127200000000, 0.0002315400000000 ] - [ -0.0019087400000000, 0.0000653900000000, 0.0030068300000000 ] - [ -0.0000820300000000, -0.0000379300000000, 0.0021104900000000 ] - [ 0.0000607700000000, -0.0005021300000000, 0.0007954500000000 ] - [ 0.0391648100000000, -0.0395254600000000, -0.0682693400000000 ] - [ -0.0010687800000000, -0.0003670900000000, -0.0001439200000000 ] - [ -0.0001554600000000, -0.0000467600000000, 0.0005617700000000 ] - [ 0.0000832800000000, -0.0002999100000000, 0.0003303700000000 ] - [ -0.0025949600000000, 0.0025182900000000, -0.0059418300000000 ] - [ -0.0009496400000000, -0.0004263700000000, -0.0013200800000000 ] - [ -0.0001949500000000, -0.0000973900000000, 0.0007631400000000 ] - [ 0.0002600000000000, 0.0000000500000000, 0.0007110400000000 ] - [ 0.0001710100000000, 0.0002095900000000, 0.0004618900000000 ] - [ -0.0000679200000000, -0.0000839000000000, 0.0001117200000000 ] - [ -0.0166309400000000, 0.0004048000000000, 0.0153816100000000 ] - [ -0.0000378000000000, 0.0000894500000000, -0.0007405500000000 ] - [ -0.0002951000000000, -0.0002938700000000, 0.0013281000000000 ] - [ -0.0001108700000000, -0.0003611500000000, 0.0007539000000000 ] - [ 0.0005807700000000, 0.0004704100000000, -0.0006218900000000 ] - [ 0.0002909100000000, 0.0006014300000000, -0.0005015500000000 ] - [ 0.0002986300000000, -0.0004122100000000, -0.0006693300000000 ] - [ -0.0010255000000000, -0.0017749800000000, 0.0000549900000000 ] - [ -0.0008638400000000, -0.0007147800000000, 0.0003739100000000 ] - [ 0.0010957800000000, -0.0005228400000000, 0.0000431400000000 ] - [ 0.0001961900000000, -0.0004180800000000, 0.0001483400000000 ] - [ -0.0001791900000000, -0.0003386500000000, 0.0001694700000000 ] - [ -0.0003529400000000, 0.0005017200000000, -0.0003961800000000 ] - [ 0.0002307200000000, 0.0005249700000000, -0.0006511800000000 ] - [ 0.0004703900000000, -0.0003236900000000, -0.0002731400000000 ] - [ 0.0005618000000000, -0.0001499500000000, -0.0001438800000000 ] - [ -0.0008166200000000, 0.0001277000000000, 0.0017505400000000 ] - [ -0.0002905700000000, 0.0003059500000000, 0.0010442200000000 ] - [ 0.0001257900000000, 0.0002387400000000, -0.0000658000000000 ] - [ 0.0004734700000000, -0.0002202900000000, 0.0001997600000000 ] - [ 0.0007849700000000, -0.0007448200000000, -0.0001763300000000 ] - [ -0.0002667800000000, -0.0002002300000000, 0.0002387300000000 ] - [ 0.0015337400000000, 0.0000853300000000, -0.0054087600000000 ] - [ -0.0005419500000000, 0.0002877800000000, -0.0001956000000000 ] - [ -0.0010842200000000, 0.0023083600000000, -0.0005816100000000 ] - [ 0.0000314800000000, 0.0001058300000000, -0.0009686900000000 ] - [ 0.0014009600000000, -0.0009880700000000, 0.0016175700000000 ] - [ -0.0002385000000000, -0.0001845200000000, 0.0010008200000000 ]- atom: 59 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0011877300000000, -0.0011402200000000, 0.0041365500000000 ] - [ 0.0012065200000000, -0.0003103500000000, 0.0008193400000000 ] - [ -0.0007161400000000, 0.0011192400000000, -0.0018685100000000 ] - [ 0.0001097900000000, 0.0002499700000000, -0.0022629100000000 ] - [ -0.0000248100000000, 0.0001433100000000, 0.0019392100000000 ] - [ -0.0004287200000000, 0.0001952800000000, 0.0025836400000000 ] - [ 0.0012674900000000, 0.0027792700000000, 0.0003327200000000 ] - [ -0.0004470500000000, 0.0007875100000000, -0.0002930300000000 ] - [ -0.0006409800000000, 0.0009134300000000, 0.0011524100000000 ] - [ 0.0011730600000000, 0.0006016600000000, 0.0002518600000000 ] - [ -0.0000891300000000, -0.0003397000000000, 0.0008579000000000 ] - [ -0.0002885400000000, -0.0003516200000000, 0.0010907200000000 ] - [ -0.0024856300000000, -0.0016934400000000, -0.0039869900000000 ] - [ 0.0029417300000000, -0.0008357100000000, -0.0051934000000000 ] - [ 0.0025340000000000, -0.0014267400000000, -0.0024407800000000 ] - [ -0.0007110200000000, -0.0009724900000000, 0.0000750100000000 ] - [ -0.0009351000000000, -0.0003460100000000, -0.0003390700000000 ] - [ 0.0005152200000000, -0.0006907100000000, -0.0003694300000000 ] - [ 0.0001967600000000, 0.0001890700000000, 0.0037813800000000 ] - [ 0.0004332800000000, -0.0002130700000000, 0.0019244600000000 ] - [ 0.0012870200000000, -0.0007381800000000, -0.0002891300000000 ] - [ -0.0007552600000000, -0.0007391500000000, 0.0008418900000000 ] - [ 0.0188064000000000, -0.0229407200000000, -0.0366487400000000 ] - [ -0.0009618600000000, -0.0000989300000000, -0.0013757000000000 ] - [ -0.0008018000000000, 0.0001096800000000, 0.0003711600000000 ] - [ -0.0002873700000000, -0.0015710200000000, 0.0100029400000000 ] - [ 0.0026950600000000, -0.0003339200000000, 0.0013035300000000 ] - [ -0.0067563200000000, -0.0009560300000000, 0.0028951500000000 ] - [ 0.0017329100000000, -0.0006027400000000, -0.0044206200000000 ] - [ -0.0014696100000000, 0.0000846300000000, -0.0017908000000000 ] - [ -0.0005410700000000, -0.0000424400000000, 0.0017492200000000 ] - [ 0.0004283700000000, -0.0000598800000000, 0.0010016900000000 ] - [ -0.0012393900000000, -0.0013201400000000, 0.0022783000000000 ] - [ 0.0009225300000000, 0.0000506900000000, 0.0005209000000000 ] - [ -0.0013031100000000, 0.0001623500000000, 0.0004529600000000 ] - [ 0.0084318400000000, -0.0039589700000000, -0.0077335600000000 ] - [ -0.0006775300000000, 0.0009347200000000, 0.0023153200000000 ] - [ -0.0000108000000000, 0.0002030200000000, 0.0010377500000000 ] - [ -0.0003025900000000, 0.0001192000000000, 0.0003595100000000 ] - [ 0.0014164200000000, -0.0009172000000000, -0.0000618200000000 ] - [ 0.0006437000000000, -0.0002960900000000, 0.0004186900000000 ] - [ -0.0032061200000000, 0.0004263400000000, -0.0029723500000000 ] - [ 0.0008350600000000, -0.0000748600000000, -0.0008718400000000 ] - [ 0.0000794300000000, 0.0001044700000000, -0.0003924500000000 ] - [ -0.0003038500000000, -0.0001467300000000, -0.0011449000000000 ] - [ 0.0017004300000000, 0.0002883300000000, -0.0037128500000000 ] - [ 0.0010029900000000, 0.0000472700000000, 0.0002001500000000 ] - [ -0.0023511700000000, -0.0073529100000000, -0.0159602900000000 ] - [ -0.0003564800000000, -0.0000297000000000, -0.0016089700000000 ] - [ -0.0007201700000000, -0.0001074000000000, -0.0009456400000000 ] - [ -0.0034573300000000, -0.0008467500000000, -0.0002304600000000 ] - [ 0.0027546600000000, -0.0000624300000000, 0.0012037900000000 ] - [ 0.0000627900000000, 0.0000205900000000, -0.0016120600000000 ] - [ -0.0003746500000000, -0.0001826200000000, -0.0015324700000000 ] - [ 0.0001097900000000, -0.0000630200000000, -0.0004845600000000 ] - [ 0.0014564700000000, -0.0002421900000000, -0.0032661800000000 ] - [ 0.0001311900000000, -0.0007570700000000, -0.0016208100000000 ] - [ -0.0000114300000000, -0.0002975000000000, -0.0003182800000000 ] - [ -0.0413551300000000, 0.0407256500000000, 0.0701713800000000 ] - [ 0.0000980700000000, -0.0004091300000000, 0.0009891000000000 ] - [ 0.0000262600000000, -0.0001414300000000, -0.0013268700000000 ] - [ -0.0002155600000000, 0.0001114100000000, -0.0010974000000000 ] - [ 0.0023353900000000, -0.0022582700000000, 0.0051749700000000 ] - [ 0.0008248600000000, 0.0006186400000000, 0.0005459200000000 ] - [ 0.0003265700000000, 0.0002892900000000, 0.0000084000000000 ] - [ -0.0001289800000000, 0.0001897200000000, 0.0000622900000000 ] - [ -0.0003179200000000, -0.0004608900000000, -0.0011969500000000 ] - [ -0.0000828000000000, -0.0001712200000000, -0.0008484300000000 ] - [ 0.0170536000000000, 0.0003822600000000, -0.0152043400000000 ] - [ 0.0000932100000000, 0.0007101900000000, 0.0012244500000000 ] - [ -0.0001003500000000, -0.0004261800000000, -0.0007981900000000 ] - [ -0.0002829700000000, -0.0003610500000000, -0.0002252300000000 ] - [ 0.0003891900000000, 0.0003070900000000, -0.0002288400000000 ] - [ 0.0006790700000000, 0.0001767400000000, -0.0003519000000000 ] - [ 0.0000973200000000, -0.0003098200000000, 0.0001348400000000 ] - [ 0.0014104800000000, 0.0010398200000000, -0.0005877100000000 ] - [ 0.0010175100000000, 0.0009765900000000, 0.0003666700000000 ] - [ -0.0009478300000000, 0.0007794200000000, 0.0007030800000000 ] - [ -0.0002461300000000, -0.0003798200000000, -0.0006278600000000 ] - [ 0.0001270200000000, -0.0004575300000000, -0.0006490300000000 ] - [ 0.0003013000000000, 0.0002992600000000, -0.0000767300000000 ] - [ -0.0002797800000000, 0.0002736800000000, 0.0001794300000000 ] - [ 0.0005011000000000, -0.0004533800000000, -0.0005686800000000 ] - [ 0.0004084700000000, -0.0006285000000000, -0.0006961800000000 ] - [ -0.0001562900000000, 0.0006482400000000, -0.0009014000000000 ] - [ -0.0006805900000000, 0.0004720700000000, -0.0001974200000000 ] - [ 0.0002689400000000, 0.0004850500000000, -0.0004583200000000 ] - [ -0.0000836300000000, 0.0009467700000000, -0.0007212700000000 ] - [ -0.0006507800000000, 0.0005484800000000, 0.0009311000000000 ] - [ 0.0003958600000000, 0.0000104700000000, 0.0005240800000000 ] - [ -0.0019092400000000, 0.0008216400000000, 0.0059147000000000 ] - [ 0.0001440900000000, 0.0004353400000000, 0.0007215200000000 ] - [ 0.0009340000000000, -0.0020583000000000, -0.0001400500000000 ] - [ -0.0001795300000000, 0.0001515000000000, 0.0002370500000000 ] - [ -0.0012327700000000, 0.0007189700000000, -0.0008695000000000 ] - [ 0.0003858200000000, -0.0000741000000000, -0.0002661800000000 ]- atom: 61 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0061382300000000, -0.0000847700000000, 0.0026351300000000 ] - [ -0.0031028200000000, 0.0008189800000000, -0.0014432600000000 ] - [ 0.0001543600000000, 0.0003773500000000, -0.0001814000000000 ] - [ -0.0004857800000000, 0.0003493300000000, -0.0006227600000000 ] - [ 0.0048798100000000, -0.0005648900000000, 0.0007765800000000 ] - [ -0.0041713300000000, -0.0014251800000000, -0.0000887100000000 ] - [ 0.0013697700000000, 0.0004930600000000, -0.0003971100000000 ] - [ -0.0006810700000000, 0.0002446200000000, -0.0003363200000000 ] - [ 0.0014124500000000, -0.0002260100000000, 0.0004279400000000 ] - [ -0.0010674400000000, -0.0002144700000000, -0.0007801600000000 ] - [ 0.0048167800000000, -0.0009319600000000, 0.0005487500000000 ] - [ -0.0040272100000000, 0.0014197900000000, -0.0004036800000000 ] - [ 0.0002634900000000, -0.0001298100000000, 0.0005867500000000 ] - [ -0.0006383300000000, -0.0001165700000000, -0.0004678700000000 ] - [ 0.0012304600000000, -0.0007005400000000, 0.0001864400000000 ] - [ -0.0007079500000000, -0.0004467600000000, 0.0001161800000000 ] - [ 0.0028960300000000, -0.0012689000000000, -0.0024536900000000 ] - [ -0.0013718100000000, 0.0007118000000000, 0.0003263400000000 ] - [ 0.0312182900000000, -0.0003252800000000, 0.0096881600000000 ] - [ -0.0043783500000000, 0.0000073900000000, 0.0021496900000000 ] - [ -0.0001631000000000, -0.0000428700000000, 0.0007650600000000 ] - [ 0.0000391600000000, -0.0001435500000000, -0.0009763400000000 ] - [ -0.0000053300000000, -0.0003608800000000, 0.0009575200000000 ] - [ -0.0004392400000000, 0.0002064900000000, -0.0004697200000000 ] - [ 0.0026156300000000, 0.0005535900000000, -0.0017216000000000 ] - [ -0.0022413300000000, 0.0000880300000000, 0.0007563600000000 ] - [ 0.0004756700000000, -0.0001649800000000, 0.0034034100000000 ] - [ -0.0000033700000000, 0.0000150800000000, -0.0033133400000000 ] - [ 0.0001480800000000, 0.0000645000000000, 0.0002597900000000 ] - [ -0.0003288400000000, 0.0001692700000000, -0.0013656400000000 ] - [ 0.0033730200000000, -0.0001288900000000, 0.0005852700000000 ] - [ -0.0034639200000000, -0.0001061000000000, 0.0005652900000000 ] - [ 0.0002331100000000, -0.0001154100000000, 0.0000852600000000 ] - [ 0.0001096600000000, -0.0001135400000000, 0.0004180300000000 ] - [ 0.0004866800000000, 0.0001141400000000, -0.0011973000000000 ] - [ -0.0009180500000000, 0.0000658300000000, 0.0009984900000000 ] - [ -0.0004208100000000, 0.0000410800000000, -0.0005341100000000 ] - [ -0.0002995600000000, 0.0003531900000000, 0.0012158100000000 ] - [ -0.0002211700000000, -0.0000192500000000, -0.0010190500000000 ] - [ 0.0006037900000000, -0.0001163800000000, -0.0003541000000000 ] - [ -0.0027893300000000, -0.0001315400000000, 0.0012915700000000 ] - [ 0.0014292700000000, -0.0001411700000000, 0.0010207000000000 ] - [ -0.0014329900000000, 0.0002088000000000, 0.0005173200000000 ] - [ 0.0031476500000000, -0.0000438900000000, -0.0007090400000000 ] - [ 0.0008738900000000, -0.0001226300000000, -0.0027357100000000 ] - [ 0.0012134900000000, -0.0001987300000000, 0.0039019900000000 ] - [ 0.0000171200000000, 0.0002690300000000, 0.0010004400000000 ] - [ 0.0008557900000000, 0.0001851200000000, -0.0004347800000000 ] - [ -0.0009828200000000, -0.0002047700000000, -0.0005221200000000 ] - [ 0.0001637900000000, -0.0001828700000000, -0.0005364600000000 ] - [ -0.0010342800000000, 0.0000731100000000, -0.0000771300000000 ] - [ 0.0010007000000000, -0.0000423700000000, 0.0021046400000000 ] - [ -0.0030597700000000, -0.0000743500000000, -0.0016058300000000 ] - [ 0.0024218300000000, 0.0000821900000000, -0.0004038200000000 ] - [ -0.0012231000000000, -0.0010301300000000, 0.0015674600000000 ] - [ 0.0013738700000000, 0.0006988000000000, -0.0011557500000000 ] - [ -0.0043620600000000, 0.0023430800000000, 0.0041626000000000 ] - [ 0.0010239000000000, -0.0006524600000000, 0.0001067700000000 ] - [ -0.0004902900000000, -0.0003757600000000, 0.0003294900000000 ] - [ -0.0004144600000000, -0.0003687700000000, 0.0005971300000000 ] - [ -0.0761080900000000, -0.0014839100000000, -0.0281721300000000 ] - [ 0.0018211000000000, -0.0001044800000000, -0.0002530200000000 ] - [ -0.0002927700000000, 0.0001607400000000, -0.0006161900000000 ] - [ 0.0001328800000000, 0.0001408200000000, -0.0001325400000000 ] - [ -0.0021109200000000, -0.0008460800000000, -0.0003034800000000 ] - [ 0.0010891300000000, 0.0001332500000000, 0.0004912200000000 ] - [ -0.0043740600000000, -0.0036764100000000, 0.0045088200000000 ] - [ 0.0009677500000000, 0.0001376500000000, -0.0005320800000000 ] - [ 0.0000459200000000, 0.0009435400000000, -0.0011026000000000 ] - [ 0.0002644800000000, 0.0003478900000000, 0.0007153600000000 ] - [ 0.0186512700000000, -0.0120570900000000, 0.0024976300000000 ] - [ 0.0026292600000000, 0.0000517200000000, -0.0001882300000000 ] - [ 0.0006075800000000, 0.0003683300000000, -0.0006594600000000 ] - [ 0.0004612200000000, 0.0002881500000000, -0.0002276200000000 ] - [ 0.0003566400000000, -0.0003230800000000, -0.0005168500000000 ] - [ 0.0001436700000000, -0.0002913100000000, -0.0000833600000000 ] - [ -0.0010694000000000, -0.0002229700000000, 0.0003660400000000 ] - [ 0.0006017300000000, 0.0002271300000000, 0.0004341300000000 ] - [ -0.0002372600000000, -0.0002434700000000, -0.0013161300000000 ] - [ 0.0002537700000000, -0.0006363900000000, 0.0001964400000000 ] - [ -0.0004074500000000, 0.0003857300000000, -0.0002272700000000 ] - [ 0.0002791700000000, 0.0003440200000000, -0.0001639100000000 ] - [ 0.0002144000000000, 0.0001112700000000, 0.0002478000000000 ] - [ 0.0007418500000000, -0.0006005500000000, -0.0006957100000000 ] - [ 0.0191460100000000, 0.0144372900000000, 0.0032443700000000 ] - [ 0.0018925200000000, 0.0000332500000000, 0.0001485700000000 ] - [ 0.0018521900000000, 0.0033597200000000, 0.0049953300000000 ] - [ 0.0015328600000000, -0.0003274100000000, -0.0010912900000000 ] - [ -0.0002170500000000, -0.0001273400000000, 0.0000243100000000 ] - [ 0.0002855900000000, -0.0000784500000000, 0.0006375000000000 ] - [ -0.0002163800000000, 0.0004365500000000, 0.0002176200000000 ] - [ -0.0001550600000000, 0.0003317000000000, 0.0004297200000000 ] - [ -0.0002634500000000, 0.0002825300000000, -0.0004891500000000 ] - [ 0.0001310400000000, 0.0000801600000000, -0.0000743000000000 ] - [ -0.0000566400000000, -0.0003371100000000, -0.0008667400000000 ] - [ 0.0003466800000000, 0.0001173400000000, 0.0008116800000000 ]- atom: 61 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0059843300000000, 0.0008368100000000, -0.0017961400000000 ] - [ 0.0034318000000000, -0.0000551300000000, 0.0020458300000000 ] - [ -0.0004911000000000, 0.0003839000000000, -0.0004403400000000 ] - [ 0.0001461100000000, 0.0004119300000000, -0.0000033600000000 ] - [ -0.0052801600000000, 0.0007906600000000, -0.0005172300000000 ] - [ 0.0037055900000000, 0.0017890600000000, 0.0003603200000000 ] - [ -0.0008905300000000, -0.0001310000000000, 0.0001074100000000 ] - [ 0.0011499900000000, 0.0001112500000000, 0.0000708900000000 ] - [ -0.0009505800000000, -0.0001285700000000, -0.0007010200000000 ] - [ 0.0015418200000000, -0.0001429300000000, 0.0005055000000000 ] - [ -0.0050853300000000, 0.0002805300000000, -0.0011747400000000 ] - [ 0.0036936000000000, -0.0021915000000000, -0.0002187700000000 ] - [ -0.0007331700000000, -0.0002270000000000, -0.0003151700000000 ] - [ 0.0001663200000000, -0.0002400500000000, 0.0007331100000000 ] - [ -0.0008838400000000, -0.0000673400000000, 0.0004182500000000 ] - [ 0.0010453700000000, -0.0003148400000000, 0.0005107700000000 ] - [ -0.0027833100000000, 0.0015272500000000, 0.0017190100000000 ] - [ 0.0014589200000000, -0.0004534700000000, -0.0010753000000000 ] - [ -0.0329300300000000, 0.0000702700000000, -0.0107109700000000 ] - [ 0.0042709000000000, -0.0002671200000000, -0.0013863600000000 ] - [ 0.0002605200000000, -0.0002177400000000, -0.0015033400000000 ] - [ 0.0000425200000000, -0.0001172500000000, 0.0002398400000000 ] - [ -0.0000852900000000, 0.0006229100000000, -0.0002214300000000 ] - [ 0.0003554600000000, 0.0000545300000000, 0.0012119000000000 ] - [ -0.0023690200000000, -0.0003917100000000, 0.0022441600000000 ] - [ 0.0024351000000000, 0.0000694800000000, -0.0002457300000000 ] - [ -0.0002679000000000, 0.0000062600000000, -0.0028651000000000 ] - [ 0.0001835700000000, -0.0001732200000000, 0.0038324100000000 ] - [ -0.0003435900000000, 0.0000930000000000, -0.0007817700000000 ] - [ 0.0001351000000000, -0.0000114200000000, 0.0008462900000000 ] - [ -0.0035814800000000, -0.0000280500000000, -0.0010857800000000 ] - [ 0.0032776500000000, -0.0000517600000000, -0.0010773200000000 ] - [ 0.0002212900000000, -0.0000612700000000, 0.0001762600000000 ] - [ 0.0003438000000000, -0.0000630600000000, -0.0001594700000000 ] - [ -0.0009400600000000, 0.0000620200000000, 0.0009320500000000 ] - [ 0.0004766700000000, 0.0001100300000000, -0.0012557300000000 ] - [ -0.0003999400000000, 0.0002967600000000, 0.0004682200000000 ] - [ -0.0005240100000000, -0.0000144900000000, -0.0012815900000000 ] - [ 0.0004810300000000, -0.0000359600000000, -0.0006224200000000 ] - [ -0.0003442300000000, 0.0000608100000000, -0.0012904300000000 ] - [ 0.0025088400000000, 0.0001090100000000, 0.0003223800000000 ] - [ -0.0016848900000000, 0.0000843700000000, 0.0006276100000000 ] - [ 0.0018935800000000, -0.0000335500000000, -0.0002629800000000 ] - [ -0.0026996600000000, 0.0002194900000000, 0.0009675300000000 ] - [ -0.0000522600000000, -0.0002151200000000, 0.0027811200000000 ] - [ -0.0003818100000000, -0.0001392400000000, -0.0038410200000000 ] - [ 0.0007973900000000, 0.0000664100000000, -0.0009402200000000 ] - [ -0.0000312100000000, 0.0001523800000000, 0.0005098600000000 ] - [ 0.0001650200000000, -0.0001342900000000, 0.0004436300000000 ] - [ -0.0009894700000000, -0.0001553200000000, 0.0004636400000000 ] - [ 0.0007647600000000, -0.0000181500000000, 0.0017166000000000 ] - [ -0.0012537200000000, 0.0000970100000000, -0.0004604100000000 ] - [ 0.0033160000000000, 0.0001274200000000, -0.0000395800000000 ] - [ -0.0021697600000000, -0.0000274900000000, -0.0012438900000000 ] - [ 0.0007512100000000, 0.0008449300000000, -0.0018132700000000 ] - [ -0.0018226700000000, -0.0008758300000000, 0.0009001600000000 ] - [ 0.0044480000000000, -0.0030593100000000, -0.0035651300000000 ] - [ -0.0009692600000000, -0.0001462000000000, 0.0003657500000000 ] - [ -0.0004787300000000, -0.0004016300000000, 0.0005201600000000 ] - [ -0.0005543000000000, -0.0004094200000000, 0.0002490500000000 ] - [ 0.0781758600000000, 0.0013666900000000, 0.0288956500000000 ] - [ -0.0019444200000000, -0.0000857000000000, -0.0005105800000000 ] - [ 0.0001633000000000, 0.0000268700000000, -0.0001469300000000 ] - [ -0.0002591900000000, 0.0000473200000000, -0.0006306100000000 ] - [ 0.0022434300000000, 0.0010103400000000, 0.0010468600000000 ] - [ -0.0009574500000000, 0.0000576000000000, 0.0002772000000000 ] - [ 0.0042709700000000, 0.0033302800000000, -0.0051267800000000 ] - [ -0.0011137900000000, -0.0003952800000000, -0.0002096700000000 ] - [ 0.0000057500000000, -0.0001511800000000, 0.0015864700000000 ] - [ -0.0002140700000000, 0.0004447300000000, -0.0002340800000000 ] - [ -0.0194082100000000, 0.0115918600000000, -0.0020273900000000 ] - [ -0.0029978100000000, -0.0007618900000000, 0.0007127800000000 ] - [ 0.0003607100000000, 0.0004094000000000, -0.0001890300000000 ] - [ 0.0005124000000000, 0.0004863800000000, -0.0006190000000000 ] - [ 0.0000375700000000, -0.0004026800000000, -0.0000116100000000 ] - [ 0.0002554200000000, -0.0004313700000000, -0.0004433500000000 ] - [ 0.0012174100000000, 0.0004814700000000, 0.0003661000000000 ] - [ -0.0004492200000000, 0.0000307000000000, 0.0003049200000000 ] - [ 0.0001807300000000, -0.0005540800000000, 0.0008357100000000 ] - [ -0.0003005900000000, -0.0001576900000000, -0.0006787300000000 ] - [ 0.0003554500000000, 0.0004097900000000, -0.0002547000000000 ] - [ -0.0003281900000000, 0.0004540600000000, -0.0003119400000000 ] - [ 0.0007517700000000, -0.0008882000000000, -0.0010931200000000 ] - [ 0.0002327200000000, -0.0001751500000000, -0.0001480900000000 ] - [ -0.0204787200000000, -0.0139707200000000, -0.0024686800000000 ] - [ -0.0028470400000000, 0.0007328700000000, 0.0006947000000000 ] - [ -0.0014553700000000, -0.0025997800000000, -0.0054628100000000 ] - [ -0.0011356300000000, 0.0010497900000000, 0.0005678300000000 ] - [ 0.0003429000000000, -0.0000617200000000, 0.0007393000000000 ] - [ -0.0001543600000000, -0.0001102900000000, 0.0001257200000000 ] - [ -0.0001777300000000, 0.0002879000000000, 0.0003116300000000 ] - [ -0.0002395400000000, 0.0003929200000000, 0.0000964600000000 ] - [ 0.0001148000000000, -0.0000246800000000, -0.0002466800000000 ] - [ -0.0002808400000000, 0.0001795200000000, -0.0006597000000000 ] - [ 0.0002015900000000, 0.0000795200000000, 0.0015985200000000 ] - [ -0.0001929200000000, -0.0003776700000000, -0.0000800100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001445700000000, 0.0056333700000000, 0.0001927800000000 ] - [ 0.0000186700000000, 0.0019095100000000, 0.0002920800000000 ] - [ -0.0002142900000000, -0.0000788400000000, -0.0003477600000000 ] - [ -0.0001455400000000, 0.0000440100000000, -0.0002590500000000 ] - [ -0.0013508600000000, 0.0078818700000000, 0.0015295100000000 ] - [ -0.0016743300000000, -0.0005125100000000, 0.0000568400000000 ] - [ -0.0000516100000000, -0.0000676000000000, 0.0020763500000000 ] - [ 0.0002504500000000, 0.0002191800000000, -0.0000115100000000 ] - [ 0.0001221000000000, -0.0026889700000000, -0.0001010400000000 ] - [ 0.0002687100000000, -0.0012885200000000, -0.0001578600000000 ] - [ 0.0000293300000000, 0.0052837100000000, -0.0011956000000000 ] - [ 0.0012040800000000, -0.0012384300000000, -0.0003035800000000 ] - [ -0.0002783800000000, 0.0002623000000000, 0.0000852200000000 ] - [ -0.0002103000000000, 0.0001049900000000, 0.0001767300000000 ] - [ 0.0003671900000000, -0.0005948600000000, -0.0015852500000000 ] - [ 0.0001857200000000, -0.0003106300000000, 0.0002451800000000 ] - [ -0.0009396400000000, -0.0005385900000000, -0.0035314000000000 ] - [ 0.0002391200000000, 0.0000145200000000, -0.0006732300000000 ] - [ 0.0003455700000000, 0.0209815200000000, 0.0008446200000000 ] - [ -0.0001250800000000, 0.0018806700000000, 0.0004756000000000 ] - [ -0.0000216900000000, -0.0022234600000000, -0.0003537100000000 ] - [ 0.0000692000000000, -0.0011759500000000, -0.0003508300000000 ] - [ -0.0000513500000000, 0.0001495900000000, 0.0004396900000000 ] - [ 0.0006845200000000, 0.0001397000000000, 0.0012179900000000 ] - [ 0.0033523600000000, 0.0005919900000000, 0.0034347300000000 ] - [ -0.0002910000000000, 0.0001142900000000, 0.0005737300000000 ] - [ 0.0000471300000000, -0.0000450200000000, 0.0002459300000000 ] - [ 0.0001313300000000, -0.0000751800000000, 0.0003358100000000 ] - [ -0.0000727700000000, 0.0000804500000000, -0.0002682600000000 ] - [ -0.0001441600000000, 0.0001192300000000, -0.0008039700000000 ] - [ -0.0001707200000000, -0.0007126900000000, -0.0004651500000000 ] - [ -0.0000493200000000, 0.0003888400000000, -0.0003685400000000 ] - [ 0.0000960300000000, -0.0000942800000000, 0.0000026600000000 ] - [ 0.0001309100000000, -0.0001057100000000, 0.0003096500000000 ] - [ -0.0001973100000000, 0.0000804900000000, -0.0001339800000000 ] - [ -0.0002280600000000, -0.0005468700000000, -0.0001554100000000 ] - [ -0.0004668200000000, 0.0001845000000000, 0.0000125900000000 ] - [ -0.0002588000000000, 0.0002512600000000, 0.0006133500000000 ] - [ 0.0002348100000000, -0.0000326100000000, -0.0009479800000000 ] - [ 0.0003054300000000, -0.0000437700000000, -0.0006429600000000 ] - [ -0.0014982500000000, 0.0033660600000000, -0.0039032200000000 ] - [ 0.0000455500000000, -0.0000514300000000, 0.0007232100000000 ] - [ 0.0002481100000000, 0.0007583100000000, 0.0001354800000000 ] - [ 0.0001071300000000, 0.0035542700000000, -0.0000012900000000 ] - [ 0.0004153200000000, -0.0008534100000000, 0.0000299300000000 ] - [ 0.0003733500000000, -0.0015450000000000, -0.0000268500000000 ] - [ -0.0003946900000000, -0.0001951000000000, -0.0025185100000000 ] - [ 0.0004776700000000, 0.0001363900000000, -0.0002854100000000 ] - [ -0.0004169300000000, 0.0004817000000000, 0.0000807600000000 ] - [ -0.0004007600000000, 0.0000699600000000, 0.0000209000000000 ] - [ -0.0000982000000000, -0.0004482200000000, 0.0008252900000000 ] - [ -0.0001565700000000, 0.0000825800000000, 0.0008006000000000 ] - [ 0.0002699100000000, 0.0032189100000000, -0.0008485700000000 ] - [ 0.0001155100000000, 0.0002509800000000, -0.0008078900000000 ] - [ -0.0016975400000000, 0.0000573300000000, -0.0011480400000000 ] - [ 0.0001254300000000, 0.0000085500000000, -0.0005741700000000 ] - [ 0.0026050000000000, 0.0029151000000000, 0.0139754800000000 ] - [ 0.0000135900000000, -0.0006187600000000, 0.0004284900000000 ] - [ -0.0004335700000000, -0.0005273200000000, 0.0004862500000000 ] - [ -0.0004886500000000, -0.0005741300000000, 0.0002100100000000 ] - [ -0.0017196300000000, -0.0629790500000000, -0.0011756900000000 ] - [ -0.0000706400000000, -0.0007052100000000, -0.0003994700000000 ] - [ -0.0001330600000000, 0.0000830300000000, -0.0003003800000000 ] - [ -0.0001112800000000, 0.0000810200000000, -0.0004245700000000 ] - [ -0.0008783500000000, 0.0032862400000000, 0.0044681900000000 ] - [ 0.0001055100000000, 0.0001606300000000, 0.0005615300000000 ] - [ -0.0034236000000000, 0.0051502100000000, -0.0162107900000000 ] - [ -0.0000389400000000, -0.0003042800000000, -0.0005822000000000 ] - [ 0.0000334200000000, 0.0002267600000000, 0.0002395700000000 ] - [ -0.0002192200000000, 0.0001058700000000, 0.0001702700000000 ] - [ -0.0129684100000000, 0.0017630100000000, -0.0008496800000000 ] - [ 0.0015103100000000, -0.0015920600000000, 0.0000382600000000 ] - [ 0.0006420000000000, 0.0005118900000000, -0.0005829400000000 ] - [ 0.0002608600000000, 0.0007006600000000, -0.0005825900000000 ] - [ 0.0000615300000000, -0.0002235900000000, -0.0001095800000000 ] - [ 0.0003916500000000, -0.0000455600000000, -0.0001516300000000 ] - [ -0.0001226700000000, -0.0004918300000000, 0.0010326200000000 ] - [ 0.0000013500000000, 0.0000062900000000, 0.0004519300000000 ] - [ 0.0007435000000000, 0.0008907700000000, -0.0017228900000000 ] - [ -0.0000929000000000, -0.0001074400000000, -0.0004470200000000 ] - [ -0.0000786600000000, 0.0010317900000000, 0.0004593200000000 ] - [ -0.0000909100000000, 0.0005339200000000, -0.0001865700000000 ] - [ 0.0011037100000000, 0.0007553300000000, 0.0004243300000000 ] - [ 0.0004790300000000, -0.0001386800000000, -0.0003149200000000 ] - [ 0.0147770100000000, 0.0043046000000000, 0.0021248300000000 ] - [ -0.0020167000000000, -0.0007211400000000, 0.0005441100000000 ] - [ 0.0023194900000000, 0.0000388800000000, 0.0024858600000000 ] - [ 0.0000805900000000, 0.0001291100000000, 0.0001138500000000 ] - [ 0.0000962200000000, 0.0005202700000000, 0.0003801800000000 ] - [ 0.0000497700000000, 0.0000961300000000, 0.0003726700000000 ] - [ -0.0001462600000000, 0.0004891900000000, 0.0003452900000000 ] - [ -0.0001938900000000, 0.0005226400000000, 0.0000596600000000 ] - [ -0.0000619600000000, 0.0003028400000000, -0.0004041600000000 ] - [ -0.0002875500000000, 0.0003771600000000, -0.0004771600000000 ] - [ -0.0006317100000000, 0.0010661100000000, 0.0019511900000000 ] - [ 0.0001337600000000, 0.0001461900000000, 0.0005921500000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001897800000000, -0.0048751000000000, 0.0004830100000000 ] - [ 0.0003162000000000, -0.0011512300000000, 0.0003266800000000 ] - [ -0.0001226100000000, 0.0008399900000000, -0.0002732200000000 ] - [ -0.0001954000000000, 0.0007168200000000, -0.0003650900000000 ] - [ 0.0012600100000000, -0.0082386900000000, -0.0013768700000000 ] - [ 0.0011802200000000, 0.0008533100000000, 0.0002125400000000 ] - [ 0.0005307500000000, 0.0004329900000000, -0.0023517200000000 ] - [ 0.0002138900000000, 0.0001411500000000, -0.0002575300000000 ] - [ 0.0003617200000000, 0.0023277100000000, -0.0001732000000000 ] - [ 0.0001900600000000, 0.0009299100000000, -0.0001265900000000 ] - [ -0.0000454600000000, -0.0053957200000000, 0.0005082900000000 ] - [ -0.0015656000000000, 0.0004919400000000, -0.0003195700000000 ] - [ -0.0001895700000000, -0.0006195400000000, 0.0001883600000000 ] - [ -0.0002633100000000, -0.0004622100000000, 0.0000899400000000 ] - [ -0.0000196900000000, -0.0001781600000000, 0.0022009800000000 ] - [ 0.0001472900000000, -0.0004570000000000, 0.0003777000000000 ] - [ 0.0010308100000000, 0.0008183100000000, 0.0027770900000000 ] - [ -0.0001578500000000, 0.0002530900000000, -0.0000647400000000 ] - [ -0.0004497900000000, -0.0212328100000000, -0.0001522400000000 ] - [ 0.0000284900000000, -0.0021438000000000, 0.0002751000000000 ] - [ 0.0001092200000000, 0.0019623100000000, -0.0003647500000000 ] - [ 0.0000214800000000, 0.0009137100000000, -0.0003872900000000 ] - [ -0.0000397400000000, 0.0001030800000000, 0.0003045500000000 ] - [ -0.0007781800000000, 0.0001175400000000, -0.0004833300000000 ] - [ -0.0031565900000000, -0.0004440200000000, -0.0029283600000000 ] - [ 0.0004714500000000, 0.0000423100000000, -0.0000555300000000 ] - [ 0.0001511800000000, -0.0001138100000000, 0.0002721900000000 ] - [ 0.0000616900000000, -0.0000827000000000, 0.0001544200000000 ] - [ -0.0001221400000000, 0.0000761700000000, -0.0002467900000000 ] - [ -0.0000532400000000, 0.0000372500000000, 0.0002824800000000 ] - [ 0.0000141900000000, 0.0005539500000000, -0.0000294800000000 ] - [ -0.0002032700000000, -0.0005474600000000, -0.0001212000000000 ] - [ 0.0003594000000000, -0.0000837400000000, 0.0002549500000000 ] - [ 0.0003243700000000, -0.0000728000000000, -0.0000513400000000 ] - [ -0.0002607000000000, 0.0000947600000000, -0.0001219800000000 ] - [ -0.0002311900000000, 0.0007212000000000, -0.0000934000000000 ] - [ -0.0003553700000000, 0.0001504000000000, -0.0000844000000000 ] - [ -0.0005633300000000, 0.0000832800000000, -0.0006791600000000 ] - [ 0.0000194600000000, -0.0000245300000000, -0.0006986700000000 ] - [ -0.0000475300000000, -0.0000128600000000, -0.0010009700000000 ] - [ 0.0012384300000000, -0.0034457800000000, 0.0056033100000000 ] - [ -0.0002917400000000, -0.0000025700000000, 0.0009260400000000 ] - [ 0.0001884400000000, -0.0005823300000000, 0.0001246600000000 ] - [ 0.0004122300000000, -0.0033805800000000, 0.0002453600000000 ] - [ 0.0004014400000000, 0.0005147600000000, 0.0000393700000000 ] - [ 0.0004597100000000, 0.0012054600000000, 0.0001257300000000 ] - [ 0.0012181700000000, 0.0005350100000000, 0.0026034500000000 ] - [ 0.0003472600000000, 0.0002010000000000, 0.0003544900000000 ] - [ -0.0004121300000000, -0.0008210300000000, -0.0001645000000000 ] - [ -0.0004138100000000, -0.0004094600000000, -0.0001080500000000 ] - [ -0.0001615600000000, 0.0005015000000000, 0.0008212900000000 ] - [ -0.0000904600000000, -0.0000292900000000, 0.0008557100000000 ] - [ -0.0000508700000000, -0.0031650500000000, -0.0008073700000000 ] - [ 0.0001723000000000, -0.0001968800000000, -0.0008316200000000 ] - [ 0.0012414300000000, -0.0002304300000000, 0.0009034400000000 ] - [ -0.0005698200000000, -0.0001777600000000, 0.0003126900000000 ] - [ -0.0025810000000000, -0.0036612500000000, -0.0135749700000000 ] - [ 0.0000400100000000, -0.0001807300000000, 0.0000485800000000 ] - [ -0.0005363600000000, -0.0002504300000000, 0.0003598200000000 ] - [ -0.0004817500000000, -0.0002028700000000, 0.0006381200000000 ] - [ 0.0011169900000000, 0.0629375400000000, 0.0007031200000000 ] - [ -0.0000521600000000, 0.0005146500000000, -0.0003675700000000 ] - [ 0.0000003400000000, 0.0001069900000000, -0.0004691600000000 ] - [ -0.0000183000000000, 0.0001079800000000, -0.0003418600000000 ] - [ 0.0009850100000000, -0.0030669100000000, -0.0036448100000000 ] - [ 0.0000304900000000, 0.0000252200000000, 0.0002090200000000 ] - [ 0.0032340100000000, -0.0054369200000000, 0.0153395100000000 ] - [ -0.0001078800000000, 0.0000456100000000, -0.0001545600000000 ] - [ 0.0000183400000000, 0.0005756800000000, 0.0002260200000000 ] - [ 0.0002714800000000, 0.0006915000000000, 0.0003097600000000 ] - [ 0.0125345300000000, -0.0025502100000000, 0.0013696700000000 ] - [ -0.0018944300000000, 0.0008549000000000, 0.0004874600000000 ] - [ 0.0003298300000000, 0.0002619200000000, -0.0002673600000000 ] - [ 0.0007093000000000, 0.0000735900000000, -0.0002632300000000 ] - [ 0.0003361100000000, -0.0004988300000000, -0.0004205300000000 ] - [ 0.0000044700000000, -0.0006768800000000, -0.0003739300000000 ] - [ 0.0002669000000000, 0.0007402000000000, -0.0002996800000000 ] - [ 0.0001508700000000, 0.0002484300000000, 0.0002846200000000 ] - [ -0.0007969500000000, -0.0016908900000000, 0.0012261700000000 ] - [ 0.0000435600000000, -0.0006937000000000, -0.0000296900000000 ] - [ 0.0000265300000000, -0.0002335200000000, -0.0009320600000000 ] - [ 0.0000423600000000, 0.0002633900000000, -0.0002894500000000 ] - [ -0.0001319800000000, -0.0015361700000000, -0.0012546000000000 ] - [ 0.0004927400000000, -0.0006423600000000, -0.0005297700000000 ] - [ -0.0158457900000000, -0.0034748500000000, -0.0012970000000000 ] - [ 0.0010559100000000, 0.0015090900000000, 0.0003005600000000 ] - [ -0.0019247100000000, 0.0006652500000000, -0.0030044100000000 ] - [ 0.0003249300000000, 0.0005844500000000, -0.0006440400000000 ] - [ 0.0000311500000000, -0.0007105500000000, 0.0003831600000000 ] - [ 0.0000822700000000, -0.0002862800000000, 0.0003966200000000 ] - [ -0.0002498800000000, 0.0002342500000000, 0.0001809500000000 ] - [ -0.0002015400000000, 0.0001997600000000, 0.0004677700000000 ] - [ -0.0000898500000000, -0.0000445700000000, -0.0003308600000000 ] - [ 0.0001388500000000, -0.0001205100000000, -0.0002552800000000 ] - [ 0.0007781400000000, -0.0013218400000000, -0.0012359200000000 ] - [ 0.0000173700000000, -0.0004017500000000, 0.0001449500000000 ]- atom: 61 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0004452400000000, 0.0009047200000000, 0.0023643000000000 ] - [ -0.0010033100000000, 0.0005182100000000, 0.0011061800000000 ] - [ 0.0001286800000000, 0.0003648600000000, -0.0017411700000000 ] - [ -0.0004247200000000, 0.0003370600000000, -0.0013852700000000 ] - [ -0.0012954500000000, 0.0023097600000000, 0.0068520100000000 ] - [ 0.0001924300000000, 0.0004873600000000, 0.0014904900000000 ] - [ 0.0007341200000000, 0.0013303200000000, -0.0035851300000000 ] - [ 0.0001822700000000, 0.0005131500000000, -0.0007443600000000 ] - [ 0.0011669700000000, -0.0000729900000000, 0.0004767500000000 ] - [ -0.0001112100000000, 0.0000510200000000, 0.0005086000000000 ] - [ -0.0011225500000000, -0.0017984600000000, 0.0061632900000000 ] - [ 0.0003278800000000, -0.0008175800000000, 0.0010764000000000 ] - [ -0.0000718000000000, -0.0001723200000000, -0.0021959000000000 ] - [ -0.0004879700000000, -0.0001280000000000, -0.0012887000000000 ] - [ 0.0007095600000000, -0.0014892900000000, -0.0031618800000000 ] - [ 0.0001166400000000, -0.0006989500000000, -0.0003368700000000 ] - [ -0.0015449600000000, -0.0023474500000000, -0.0028147700000000 ] - [ 0.0006911200000000, -0.0005691500000000, -0.0012120700000000 ] - [ 0.0011913800000000, -0.0001635700000000, 0.0276919300000000 ] - [ 0.0016200700000000, -0.0001318500000000, 0.0016372500000000 ] - [ 0.0012331300000000, -0.0002063000000000, -0.0010621800000000 ] - [ -0.0007781500000000, -0.0001342000000000, -0.0003566600000000 ] - [ 0.0007517900000000, 0.0007827300000000, -0.0017218800000000 ] - [ -0.0009633600000000, 0.0002554400000000, -0.0013359300000000 ] - [ -0.0047397100000000, -0.0000594700000000, -0.0023106300000000 ] - [ 0.0015858000000000, 0.0000560800000000, -0.0005431000000000 ] - [ 0.0012824400000000, -0.0000344700000000, -0.0018423300000000 ] - [ -0.0016632700000000, -0.0000242500000000, -0.0012945400000000 ] - [ 0.0001980500000000, 0.0001075700000000, -0.0021838900000000 ] - [ -0.0004462300000000, 0.0001596100000000, -0.0019969300000000 ] - [ -0.0011056800000000, -0.0000127500000000, 0.0022465600000000 ] - [ 0.0008758200000000, -0.0000197900000000, 0.0005050400000000 ] - [ -0.0001484300000000, -0.0001425000000000, 0.0011477200000000 ] - [ 0.0001186300000000, -0.0000782100000000, 0.0008958300000000 ] - [ -0.0013335800000000, 0.0000623000000000, 0.0010640300000000 ] - [ 0.0007199300000000, 0.0000353900000000, 0.0007889000000000 ] - [ -0.0005315900000000, 0.0003308400000000, 0.0014032600000000 ] - [ 0.0000035800000000, 0.0004143900000000, 0.0014829200000000 ] - [ 0.0001098800000000, -0.0000252500000000, 0.0001524200000000 ] - [ 0.0006981600000000, -0.0001165900000000, -0.0000502500000000 ] - [ 0.0026961200000000, -0.0050306400000000, 0.0039655500000000 ] - [ -0.0007529600000000, -0.0000868400000000, 0.0005547300000000 ] - [ 0.0010726200000000, 0.0000752200000000, -0.0010112000000000 ] - [ -0.0006219600000000, 0.0002250000000000, -0.0001906000000000 ] - [ -0.0007781600000000, -0.0002153600000000, 0.0013732000000000 ] - [ 0.0021096800000000, -0.0001884400000000, 0.0007469500000000 ] - [ 0.0014921900000000, 0.0004166600000000, 0.0019478100000000 ] - [ 0.0001431800000000, 0.0000951900000000, 0.0006682700000000 ] - [ -0.0000239900000000, -0.0002579300000000, -0.0015077900000000 ] - [ -0.0008053200000000, -0.0001778300000000, -0.0006208500000000 ] - [ -0.0007510600000000, -0.0000105400000000, 0.0017937700000000 ] - [ 0.0009886900000000, -0.0000223000000000, 0.0017076300000000 ] - [ 0.0005455600000000, 0.0000949800000000, -0.0019023000000000 ] - [ -0.0006178000000000, -0.0000081500000000, -0.0014555400000000 ] - [ 0.0015672000000000, -0.0005089400000000, -0.0010133300000000 ] - [ -0.0016753000000000, -0.0009730000000000, 0.0000746500000000 ] - [ 0.0048644900000000, 0.0120409200000000, 0.0166850700000000 ] - [ -0.0002556900000000, -0.0002504600000000, -0.0000475300000000 ] - [ -0.0007064600000000, -0.0003468000000000, 0.0013338500000000 ] - [ -0.0004027000000000, -0.0003002400000000, 0.0011194200000000 ] - [ -0.0066418300000000, -0.0006333300000000, -0.0664187900000000 ] - [ -0.0004328300000000, -0.0001073700000000, -0.0009814500000000 ] - [ -0.0002272700000000, -0.0000061700000000, 0.0005683500000000 ] - [ 0.0001272100000000, 0.0001217200000000, 0.0001250900000000 ] - [ -0.0000181200000000, 0.0042814100000000, 0.0020707700000000 ] - [ -0.0001065300000000, 0.0002554000000000, 0.0001249300000000 ] - [ 0.0053901900000000, -0.0136637600000000, 0.0153569100000000 ] - [ -0.0003656600000000, -0.0002784200000000, -0.0006525600000000 ] - [ -0.0004896800000000, -0.0005193200000000, 0.0025698200000000 ] - [ 0.0003551300000000, 0.0004549600000000, 0.0007109300000000 ] - [ -0.0028508100000000, 0.0017195200000000, -0.0047069600000000 ] - [ -0.0008293700000000, -0.0004832700000000, -0.0006687700000000 ] - [ 0.0002254800000000, 0.0003583400000000, -0.0000454400000000 ] - [ 0.0008938000000000, 0.0001149700000000, -0.0000403200000000 ] - [ -0.0000505100000000, -0.0003309500000000, 0.0001029800000000 ] - [ 0.0006078200000000, -0.0000487500000000, 0.0000770600000000 ] - [ 0.0005077500000000, 0.0006254700000000, 0.0020402500000000 ] - [ -0.0000482700000000, 0.0001590600000000, 0.0007888500000000 ] - [ -0.0006986000000000, -0.0009814800000000, -0.0001640100000000 ] - [ 0.0001998500000000, -0.0003940600000000, -0.0004739500000000 ] - [ 0.0000216300000000, 0.0008144900000000, 0.0005522800000000 ] - [ -0.0000605100000000, 0.0004441500000000, 0.0000183900000000 ] - [ 0.0010415700000000, 0.0001894700000000, -0.0010259300000000 ] - [ 0.0002186600000000, -0.0002536000000000, -0.0005511100000000 ] - [ -0.0028280400000000, -0.0018369300000000, -0.0051308700000000 ] - [ -0.0010833800000000, 0.0004512100000000, -0.0004290000000000 ] - [ 0.0039234600000000, 0.0028543400000000, 0.0022803600000000 ] - [ -0.0014517800000000, 0.0014949500000000, -0.0003644400000000 ] - [ -0.0002092700000000, -0.0000839800000000, 0.0009150600000000 ] - [ 0.0002499600000000, -0.0000865600000000, 0.0006350300000000 ] - [ -0.0002562000000000, 0.0003670200000000, 0.0009660000000000 ] - [ -0.0001633200000000, 0.0002853300000000, 0.0008371200000000 ] - [ -0.0002345900000000, -0.0000118400000000, 0.0001821000000000 ] - [ 0.0002050800000000, -0.0000149900000000, -0.0000176200000000 ] - [ -0.0006270600000000, 0.0005062300000000, 0.0004922200000000 ] - [ 0.0003061200000000, -0.0001111500000000, 0.0001454800000000 ]- atom: 61 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0004145700000000, -0.0001571700000000, -0.0013538200000000 ] - [ 0.0013426200000000, 0.0002433600000000, -0.0004692900000000 ] - [ -0.0004679000000000, 0.0003972200000000, 0.0011110000000000 ] - [ 0.0000880600000000, 0.0004244700000000, 0.0007585200000000 ] - [ 0.0008399200000000, -0.0019987200000000, -0.0065442700000000 ] - [ -0.0006761200000000, -0.0001370100000000, -0.0012137900000000 ] - [ -0.0002638800000000, -0.0009749400000000, 0.0033102800000000 ] - [ 0.0002875200000000, -0.0001561400000000, 0.0004666700000000 ] - [ -0.0006909400000000, -0.0002818400000000, -0.0007327500000000 ] - [ 0.0005830600000000, -0.0004054500000000, -0.0007684700000000 ] - [ 0.0007912500000000, 0.0010656300000000, -0.0067533700000000 ] - [ -0.0006776100000000, 0.0000613500000000, -0.0016905500000000 ] - [ -0.0004023000000000, -0.0001852600000000, 0.0024502300000000 ] - [ 0.0000195900000000, -0.0002282900000000, 0.0015530600000000 ] - [ -0.0003718400000000, 0.0007292100000000, 0.0037819900000000 ] - [ 0.0002214200000000, -0.0000629300000000, 0.0009517500000000 ] - [ 0.0016171800000000, 0.0025898700000000, 0.0020729100000000 ] - [ -0.0005913300000000, 0.0008210200000000, 0.0004713500000000 ] - [ -0.0021233400000000, -0.0000968100000000, -0.0275125700000000 ] - [ -0.0017049900000000, -0.0001296100000000, -0.0009059200000000 ] - [ -0.0011429100000000, -0.0000541100000000, 0.0003079900000000 ] - [ 0.0008695500000000, -0.0001264800000000, -0.0003951000000000 ] - [ -0.0008302700000000, -0.0005106100000000, 0.0024517100000000 ] - [ 0.0008689000000000, 0.0000068800000000, 0.0020707100000000 ] - [ 0.0048953700000000, 0.0002129100000000, 0.0028197100000000 ] - [ -0.0013729700000000, 0.0001021100000000, 0.0010612300000000 ] - [ -0.0010879000000000, -0.0001230000000000, 0.0023499200000000 ] - [ 0.0018644200000000, -0.0001330400000000, 0.0017913700000000 ] - [ -0.0003896300000000, 0.0000500900000000, 0.0016571100000000 ] - [ 0.0002480600000000, -0.0000016900000000, 0.0014738700000000 ] - [ 0.0009053700000000, -0.0001459700000000, -0.0027748700000000 ] - [ -0.0010588000000000, -0.0001382200000000, -0.0010319800000000 ] - [ 0.0005989700000000, -0.0000339700000000, -0.0008851000000000 ] - [ 0.0003371700000000, -0.0000972000000000, -0.0006336300000000 ] - [ 0.0008801400000000, 0.0001139800000000, -0.0013182100000000 ] - [ -0.0011801300000000, 0.0001413700000000, -0.0010395000000000 ] - [ -0.0002930500000000, 0.0000096400000000, -0.0014675100000000 ] - [ -0.0008230200000000, -0.0000748800000000, -0.0015495700000000 ] - [ 0.0001489100000000, -0.0000288100000000, -0.0017936100000000 ] - [ -0.0004360700000000, 0.0000612400000000, -0.0015910600000000 ] - [ -0.0029296100000000, 0.0049117900000000, -0.0022955800000000 ] - [ 0.0004854200000000, 0.0000320000000000, 0.0010819700000000 ] - [ -0.0006167400000000, 0.0001021000000000, 0.0012669100000000 ] - [ 0.0010592300000000, -0.0000488900000000, 0.0004500600000000 ] - [ 0.0016070700000000, -0.0001223800000000, -0.0012994200000000 ] - [ -0.0012843200000000, -0.0001492300000000, -0.0006580700000000 ] - [ -0.0006613800000000, -0.0000769300000000, -0.0018719000000000 ] - [ 0.0006764400000000, 0.0002408900000000, -0.0006013400000000 ] - [ -0.0007977300000000, -0.0000797800000000, 0.0014447500000000 ] - [ -0.0000185000000000, -0.0001598800000000, 0.0005572500000000 ] - [ 0.0004965100000000, 0.0000658300000000, -0.0001440000000000 ] - [ -0.0012433300000000, 0.0000770000000000, -0.0000555400000000 ] - [ -0.0002764500000000, -0.0000393700000000, 0.0002559200000000 ] - [ 0.0008719500000000, 0.0000630400000000, -0.0001924700000000 ] - [ -0.0020036700000000, 0.0003332200000000, 0.0007394700000000 ] - [ 0.0012110000000000, 0.0007844300000000, -0.0003396900000000 ] - [ -0.0049284000000000, -0.0130718500000000, -0.0164646800000000 ] - [ 0.0003076000000000, -0.0005472900000000, 0.0005289700000000 ] - [ -0.0002657100000000, -0.0004297600000000, -0.0004828600000000 ] - [ -0.0005642700000000, -0.0004769900000000, -0.0002695000000000 ] - [ 0.0075866600000000, 0.0004363000000000, 0.0662482400000000 ] - [ 0.0003048400000000, -0.0000819700000000, 0.0002139100000000 ] - [ 0.0001005300000000, 0.0001921100000000, -0.0013281300000000 ] - [ -0.0002548200000000, 0.0000666400000000, -0.0008879400000000 ] - [ 0.0001442800000000, -0.0040352100000000, -0.0012968000000000 ] - [ 0.0002322700000000, -0.0000644400000000, 0.0006335600000000 ] - [ -0.0056627400000000, 0.0136466400000000, -0.0163098600000000 ] - [ 0.0002162700000000, 0.0000204900000000, -0.0000795400000000 ] - [ 0.0005373300000000, 0.0012999700000000, -0.0020631500000000 ] - [ -0.0003018800000000, 0.0003402900000000, -0.0002334600000000 ] - [ 0.0025728100000000, -0.0024981300000000, 0.0052095000000000 ] - [ 0.0004266300000000, -0.0002398200000000, 0.0011974800000000 ] - [ 0.0007444500000000, 0.0004197100000000, -0.0007989500000000 ] - [ 0.0000746900000000, 0.0006632600000000, -0.0008053500000000 ] - [ 0.0004461300000000, -0.0003944900000000, -0.0006272600000000 ] - [ -0.0002140900000000, -0.0006774100000000, -0.0006027300000000 ] - [ -0.0003477000000000, -0.0003587700000000, -0.0012946800000000 ] - [ 0.0001960800000000, 0.0000990600000000, -0.0000538700000000 ] - [ 0.0006486400000000, 0.0001865900000000, -0.0003060200000000 ] - [ -0.0002499500000000, -0.0004010200000000, -0.0000008800000000 ] - [ -0.0000708200000000, -0.0000137500000000, -0.0010292600000000 ] - [ 0.0000087400000000, 0.0003541800000000, -0.0004984500000000 ] - [ -0.0000666400000000, -0.0009636600000000, 0.0001714800000000 ] - [ 0.0007512000000000, -0.0005210500000000, -0.0003004500000000 ] - [ 0.0019862300000000, 0.0026841700000000, 0.0059526400000000 ] - [ 0.0001050200000000, 0.0003253300000000, 0.0012748900000000 ] - [ -0.0034769700000000, -0.0021025700000000, -0.0027934200000000 ] - [ 0.0018247200000000, -0.0007544100000000, -0.0001743700000000 ] - [ 0.0003399200000000, -0.0001047300000000, -0.0001475700000000 ] - [ -0.0001203600000000, -0.0001017800000000, 0.0001302700000000 ] - [ -0.0001397000000000, 0.0003565000000000, -0.0004374100000000 ] - [ -0.0002303300000000, 0.0004387500000000, -0.0003078200000000 ] - [ 0.0000852000000000, 0.0002679800000000, -0.0009177300000000 ] - [ -0.0003529000000000, 0.0002731300000000, -0.0007189000000000 ] - [ 0.0007785800000000, -0.0007663600000000, 0.0002518500000000 ] - [ -0.0001554200000000, -0.0001477000000000, 0.0005935200000000 ]- atom: 67 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0015686900000000, -0.0003317500000000, 0.0020615800000000 ] - [ -0.0006562800000000, 0.0006670400000000, -0.0002267200000000 ] - [ -0.0004110200000000, 0.0002149500000000, 0.0001621900000000 ] - [ 0.0000105200000000, 0.0002678700000000, -0.0008039600000000 ] - [ 0.0006336700000000, 0.0004497600000000, -0.0002011200000000 ] - [ -0.0015858200000000, -0.0007011800000000, 0.0007594600000000 ] - [ 0.0056986800000000, 0.0025474100000000, -0.0025854800000000 ] - [ -0.0019615000000000, 0.0007313500000000, -0.0005379500000000 ] - [ 0.0008624000000000, -0.0001697100000000, 0.0002795300000000 ] - [ -0.0004778100000000, -0.0004320800000000, -0.0006518400000000 ] - [ 0.0060385300000000, 0.0009113200000000, 0.0010889600000000 ] - [ -0.0035366800000000, 0.0013083100000000, 0.0005044500000000 ] - [ -0.0004599100000000, -0.0000693900000000, 0.0008401800000000 ] - [ -0.0000757900000000, 0.0000920200000000, -0.0013178000000000 ] - [ 0.0021814500000000, -0.0007548200000000, 0.0004505600000000 ] - [ -0.0015939200000000, -0.0009566000000000, -0.0000072100000000 ] - [ 0.0006972900000000, 0.0003399400000000, -0.0014256500000000 ] - [ -0.0003512900000000, 0.0005174900000000, 0.0002781900000000 ] - [ 0.0343993300000000, 0.0252828900000000, -0.0126792000000000 ] - [ -0.0032139200000000, 0.0005373300000000, -0.0000003000000000 ] - [ -0.0020759700000000, -0.0028667700000000, 0.0016120200000000 ] - [ 0.0001034700000000, 0.0008120000000000, -0.0010525500000000 ] - [ 0.0003701800000000, -0.0000770500000000, 0.0005779200000000 ] - [ -0.0004856000000000, 0.0000094400000000, -0.0000487700000000 ] - [ 0.0005071700000000, 0.0000707200000000, 0.0000429500000000 ] - [ -0.0004645900000000, 0.0000712200000000, 0.0004084900000000 ] - [ -0.0021666200000000, 0.0000819000000000, 0.0031917700000000 ] - [ 0.0000775000000000, 0.0006013000000000, -0.0126289800000000 ] - [ 0.0004430300000000, 0.0000460200000000, 0.0006664400000000 ] - [ -0.0009188600000000, 0.0000875600000000, -0.0008727500000000 ] - [ 0.0024550500000000, 0.0004376000000000, 0.0014690700000000 ] - [ -0.0024613700000000, -0.0001026600000000, -0.0007675000000000 ] - [ -0.0005271000000000, -0.0002732000000000, -0.0005929400000000 ] - [ 0.0006738700000000, -0.0000938600000000, 0.0001591200000000 ] - [ 0.0016504400000000, 0.0002610000000000, -0.0013246500000000 ] - [ -0.0026597500000000, 0.0008311700000000, 0.0039313300000000 ] - [ -0.0005821600000000, 0.0001425300000000, -0.0007401800000000 ] - [ -0.0001781600000000, 0.0001414300000000, 0.0005658900000000 ] - [ -0.0001127400000000, -0.0000061300000000, -0.0015908600000000 ] - [ 0.0007543400000000, -0.0002586500000000, -0.0003179100000000 ] - [ -0.0005090100000000, -0.0000025100000000, 0.0008876000000000 ] - [ 0.0002899400000000, 0.0000319200000000, 0.0008353800000000 ] - [ -0.0007500300000000, -0.0003474100000000, 0.0000860100000000 ] - [ 0.0017759500000000, 0.0010100800000000, 0.0000175900000000 ] - [ 0.0024935300000000, -0.0012617800000000, -0.0013833700000000 ] - [ 0.0110565800000000, 0.0092067700000000, 0.0091388100000000 ] - [ 0.0004027400000000, 0.0001955000000000, 0.0001999200000000 ] - [ 0.0004585500000000, 0.0001948000000000, -0.0000902300000000 ] - [ -0.0011589700000000, -0.0011857900000000, -0.0010508100000000 ] - [ 0.0006616500000000, 0.0001927900000000, 0.0003020200000000 ] - [ 0.0005842300000000, -0.0008831500000000, -0.0005695900000000 ] - [ 0.0028664500000000, -0.0009016300000000, 0.0047554600000000 ] - [ -0.0020392300000000, 0.0007560900000000, -0.0014152000000000 ] - [ 0.0017742900000000, -0.0001728400000000, -0.0002786500000000 ] - [ -0.0004414100000000, -0.0000699900000000, 0.0001042500000000 ] - [ 0.0000878000000000, 0.0000687000000000, -0.0004444700000000 ] - [ -0.0034379300000000, -0.0001895600000000, 0.0001036200000000 ] - [ 0.0010508100000000, -0.0005590200000000, 0.0002026400000000 ] - [ -0.0009007500000000, -0.0002772500000000, 0.0005645500000000 ] - [ -0.0001411100000000, -0.0004247800000000, 0.0005250800000000 ] - [ -0.0044200900000000, -0.0034054200000000, 0.0041271900000000 ] - [ 0.0009757500000000, -0.0000614200000000, -0.0004003900000000 ] - [ -0.0002562400000000, 0.0000804100000000, -0.0006009900000000 ] - [ 0.0001407300000000, 0.0003074900000000, -0.0000378200000000 ] - [ -0.0010804800000000, -0.0001007900000000, 0.0005154400000000 ] - [ 0.0005914900000000, 0.0000202100000000, 0.0004021500000000 ] - [ -0.0647127600000000, -0.0447690400000000, 0.0219623100000000 ] - [ 0.0011307800000000, 0.0000774600000000, -0.0004017400000000 ] - [ -0.0000790700000000, 0.0004214200000000, -0.0000092300000000 ] - [ 0.0001821200000000, 0.0004262600000000, 0.0004922300000000 ] - [ 0.0102758800000000, 0.0013250300000000, -0.0141750000000000 ] - [ 0.0013962000000000, -0.0010991400000000, 0.0005395000000000 ] - [ 0.0014549300000000, 0.0003725800000000, -0.0011360100000000 ] - [ -0.0000860000000000, -0.0001629400000000, 0.0004790300000000 ] - [ 0.0006733200000000, -0.0000830000000000, -0.0004906600000000 ] - [ -0.0000992900000000, -0.0002676800000000, -0.0000681700000000 ] - [ -0.0001122000000000, 0.0000367200000000, 0.0003224600000000 ] - [ 0.0001623600000000, 0.0000371900000000, 0.0004465900000000 ] - [ 0.0061097300000000, 0.0068546800000000, -0.0034080500000000 ] - [ 0.0005976200000000, -0.0010774300000000, 0.0001152500000000 ] - [ -0.0001652700000000, 0.0004098900000000, -0.0001852200000000 ] - [ 0.0000327900000000, 0.0003927600000000, -0.0002166200000000 ] - [ 0.0005192000000000, 0.0000666800000000, 0.0009594000000000 ] - [ 0.0005848200000000, -0.0005469400000000, -0.0007187500000000 ] - [ -0.0008680000000000, 0.0020142100000000, -0.0007305100000000 ] - [ -0.0000482000000000, 0.0001645800000000, 0.0006531500000000 ] - [ 0.0002374800000000, 0.0000129100000000, 0.0005941000000000 ] - [ 0.0007303400000000, 0.0002002900000000, -0.0011613700000000 ] - [ -0.0000675900000000, 0.0006089000000000, -0.0003826000000000 ] - [ 0.0003363700000000, -0.0001528700000000, 0.0006965700000000 ] - [ -0.0004121000000000, 0.0004468500000000, 0.0002259200000000 ] - [ 0.0000361900000000, 0.0004586200000000, 0.0003339100000000 ] - [ -0.0001876000000000, 0.0001886700000000, -0.0004981400000000 ] - [ 0.0000164500000000, 0.0002016700000000, -0.0001504700000000 ] - [ -0.0002059800000000, 0.0006797300000000, 0.0003150500000000 ] - [ 0.0003235100000000, 0.0001728100000000, 0.0004251300000000 ]- atom: 67 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0012433500000000, 0.0010977100000000, -0.0014302900000000 ] - [ 0.0009941700000000, 0.0000981000000000, 0.0008461600000000 ] - [ 0.0000735300000000, 0.0005468800000000, -0.0007821300000000 ] - [ -0.0003534200000000, 0.0004940100000000, 0.0001796300000000 ] - [ -0.0010829900000000, -0.0001115600000000, 0.0004764200000000 ] - [ 0.0011063700000000, 0.0010596200000000, -0.0004917600000000 ] - [ -0.0052550900000000, -0.0021894200000000, 0.0023325600000000 ] - [ 0.0024285600000000, -0.0003779100000000, 0.0002708700000000 ] - [ -0.0003932000000000, -0.0001887800000000, -0.0005468200000000 ] - [ 0.0009449100000000, 0.0000719900000000, 0.0003783000000000 ] - [ -0.0062017100000000, -0.0015307700000000, -0.0014833800000000 ] - [ 0.0031949300000000, -0.0020753800000000, -0.0011294700000000 ] - [ -0.0000100600000000, -0.0002877200000000, -0.0005658700000000 ] - [ -0.0004002200000000, -0.0004486900000000, 0.0015879800000000 ] - [ -0.0018363200000000, -0.0000117800000000, 0.0001548700000000 ] - [ 0.0019303800000000, 0.0001986400000000, 0.0006325800000000 ] - [ -0.0006027000000000, -0.0000742100000000, 0.0006802400000000 ] - [ 0.0004372300000000, -0.0002575800000000, -0.0010223500000000 ] - [ -0.0349373800000000, -0.0268617200000000, 0.0141374400000000 ] - [ 0.0031147400000000, -0.0007909200000000, 0.0007350800000000 ] - [ 0.0021613900000000, 0.0025869700000000, -0.0023383300000000 ] - [ -0.0000295600000000, -0.0010732800000000, 0.0003095400000000 ] - [ -0.0004612700000000, 0.0003378000000000, 0.0001624300000000 ] - [ 0.0003951200000000, 0.0002514800000000, 0.0007921400000000 ] - [ -0.0003053800000000, 0.0000865100000000, 0.0004801800000000 ] - [ 0.0006555900000000, 0.0000865700000000, 0.0001079400000000 ] - [ 0.0023631900000000, -0.0002384700000000, -0.0026445000000000 ] - [ 0.0000730600000000, -0.0007816200000000, 0.0132225900000000 ] - [ -0.0006447900000000, 0.0001119400000000, -0.0011883100000000 ] - [ 0.0007207000000000, 0.0000700800000000, 0.0003550700000000 ] - [ -0.0026618000000000, -0.0005905700000000, -0.0019659700000000 ] - [ 0.0022585400000000, -0.0000553300000000, 0.0002450600000000 ] - [ 0.0009824500000000, 0.0000968400000000, 0.0008503800000000 ] - [ -0.0002196400000000, -0.0000823800000000, 0.0000972500000000 ] - [ -0.0021050300000000, -0.0000827300000000, 0.0010591100000000 ] - [ 0.0022398900000000, -0.0006497000000000, -0.0041918500000000 ] - [ -0.0002399000000000, 0.0001951600000000, 0.0006737500000000 ] - [ -0.0006456800000000, 0.0001957000000000, -0.0006352000000000 ] - [ 0.0003645500000000, -0.0000483300000000, -0.0000462900000000 ] - [ -0.0004988300000000, 0.0002045200000000, -0.0013284900000000 ] - [ 0.0002481700000000, -0.0000484900000000, 0.0007526500000000 ] - [ -0.0005450300000000, -0.0000865400000000, 0.0008119700000000 ] - [ 0.0012105900000000, 0.0005252700000000, 0.0001655400000000 ] - [ -0.0013207900000000, -0.0008272600000000, 0.0002408300000000 ] - [ -0.0016543100000000, 0.0009077700000000, 0.0014369200000000 ] - [ -0.0104195900000000, -0.0097227300000000, -0.0091669100000000 ] - [ 0.0004159300000000, 0.0001419300000000, -0.0001345600000000 ] - [ 0.0003627800000000, 0.0001430000000000, 0.0001606700000000 ] - [ 0.0003438700000000, 0.0008424400000000, 0.0009720300000000 ] - [ -0.0014805200000000, -0.0005275100000000, -0.0003690300000000 ] - [ -0.0008512900000000, 0.0009350200000000, 0.0022028000000000 ] - [ -0.0031290900000000, 0.0009658000000000, -0.0031297300000000 ] - [ 0.0022894000000000, -0.0007004100000000, -0.0002356200000000 ] - [ -0.0015160100000000, 0.0002279700000000, -0.0013645700000000 ] - [ -0.0000195000000000, -0.0001053900000000, -0.0003628900000000 ] - [ -0.0005417900000000, -0.0002450800000000, 0.0001866300000000 ] - [ 0.0034824900000000, -0.0005088700000000, 0.0003810900000000 ] - [ -0.0010002300000000, -0.0002429100000000, 0.0002767100000000 ] - [ -0.0000706200000000, -0.0005001400000000, 0.0002829600000000 ] - [ -0.0008305700000000, -0.0003530900000000, 0.0003200000000000 ] - [ 0.0042251600000000, 0.0032768400000000, -0.0049921000000000 ] - [ -0.0011069300000000, -0.0001300400000000, -0.0003660500000000 ] - [ 0.0001221700000000, 0.0001082400000000, -0.0001670700000000 ] - [ -0.0002723300000000, -0.0001191000000000, -0.0007306400000000 ] - [ 0.0012061200000000, 0.0002878800000000, 0.0002523100000000 ] - [ -0.0004608800000000, 0.0001696900000000, 0.0003677300000000 ] - [ 0.0652598200000000, 0.0456414400000000, -0.0237306200000000 ] - [ -0.0012802900000000, -0.0003329900000000, -0.0003341300000000 ] - [ 0.0001282200000000, 0.0003754400000000, 0.0004865200000000 ] - [ -0.0001330800000000, 0.0003701600000000, -0.0000143200000000 ] - [ -0.0107828800000000, -0.0020777900000000, 0.0149388400000000 ] - [ -0.0017869700000000, 0.0003724200000000, -0.0000083300000000 ] - [ -0.0004846100000000, 0.0004050100000000, 0.0002839400000000 ] - [ 0.0010597700000000, 0.0009405000000000, -0.0013255200000000 ] - [ -0.0002804400000000, -0.0006397600000000, -0.0000368700000000 ] - [ 0.0004960100000000, -0.0004558100000000, -0.0004562600000000 ] - [ 0.0002593000000000, 0.0002188200000000, 0.0004127700000000 ] - [ -0.0000137100000000, 0.0002191600000000, 0.0002904000000000 ] - [ -0.0060600500000000, -0.0075144700000000, 0.0028801100000000 ] - [ -0.0006477700000000, 0.0002842500000000, -0.0005940400000000 ] - [ 0.0001111900000000, 0.0003898800000000, -0.0002922700000000 ] - [ -0.0000843600000000, 0.0004067500000000, -0.0002602400000000 ] - [ 0.0004510500000000, -0.0008389200000000, -0.0017910300000000 ] - [ 0.0003864700000000, -0.0002290900000000, -0.0001262500000000 ] - [ -0.0000926000000000, -0.0012377500000000, 0.0015744200000000 ] - [ -0.0009283300000000, 0.0006088500000000, 0.0001950400000000 ] - [ 0.0001522400000000, 0.0007040600000000, -0.0011194400000000 ] - [ -0.0003379800000000, 0.0005219400000000, 0.0006371000000000 ] - [ 0.0001906500000000, -0.0007983800000000, 0.0011455500000000 ] - [ -0.0002043700000000, -0.0000359700000000, 0.0000713900000000 ] - [ 0.0000148800000000, 0.0002767700000000, 0.0003017600000000 ] - [ -0.0004336300000000, 0.0002647000000000, 0.0001916900000000 ] - [ 0.0000364700000000, 0.0000684600000000, -0.0002383600000000 ] - [ -0.0001677000000000, 0.0000563600000000, -0.0005850100000000 ] - [ 0.0003463500000000, -0.0009269200000000, 0.0004233000000000 ] - [ -0.0001718700000000, -0.0004330700000000, 0.0003116700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006554200000000, 0.0007801900000000, 0.0022384900000000 ] - [ 0.0002141500000000, 0.0007339800000000, 0.0003005300000000 ] - [ -0.0005092700000000, -0.0000343300000000, 0.0000620500000000 ] - [ 0.0001235500000000, -0.0001105400000000, 0.0000288600000000 ] - [ 0.0019618400000000, -0.0037473500000000, 0.0016050900000000 ] - [ -0.0009575400000000, -0.0011662100000000, 0.0004317100000000 ] - [ 0.0023232800000000, 0.0051771800000000, -0.0027865700000000 ] - [ -0.0003346200000000, 0.0012281400000000, -0.0000764300000000 ] - [ 0.0003625400000000, -0.0007628300000000, -0.0007483600000000 ] - [ 0.0000399400000000, -0.0005887100000000, -0.0004405900000000 ] - [ 0.0011317900000000, 0.0048340900000000, -0.0011896700000000 ] - [ -0.0002787400000000, 0.0008233500000000, -0.0004770100000000 ] - [ -0.0004474900000000, 0.0002583100000000, 0.0001209700000000 ] - [ -0.0000836200000000, 0.0003382200000000, -0.0008431600000000 ] - [ 0.0013193900000000, -0.0028422200000000, -0.0026792800000000 ] - [ -0.0004594300000000, -0.0012645300000000, 0.0001265800000000 ] - [ 0.0001670000000000, 0.0008009400000000, -0.0009129200000000 ] - [ 0.0001442500000000, 0.0005137300000000, -0.0000542500000000 ] - [ 0.0263624900000000, 0.0565304600000000, -0.0205305800000000 ] - [ -0.0002774200000000, 0.0007082000000000, 0.0008304200000000 ] - [ -0.0018506200000000, -0.0036196000000000, 0.0010738800000000 ] - [ 0.0021856000000000, -0.0022022700000000, 0.0007914400000000 ] - [ 0.0000485400000000, -0.0002780300000000, 0.0002993800000000 ] - [ -0.0000386500000000, -0.0001383900000000, 0.0003605800000000 ] - [ 0.0005621300000000, 0.0000639100000000, 0.0008359300000000 ] - [ -0.0001932100000000, 0.0001019900000000, 0.0003608600000000 ] - [ 0.0001881000000000, 0.0000544700000000, -0.0003276800000000 ] - [ -0.0009915000000000, 0.0007053800000000, -0.0070852500000000 ] - [ 0.0001899500000000, 0.0000426800000000, 0.0008432300000000 ] - [ -0.0003439500000000, 0.0000584500000000, -0.0004114400000000 ] - [ 0.0022467500000000, -0.0013683000000000, -0.0043803200000000 ] - [ -0.0010888200000000, -0.0000855400000000, -0.0007379300000000 ] - [ -0.0002916500000000, -0.0002976100000000, -0.0008327300000000 ] - [ 0.0003858500000000, -0.0001890700000000, 0.0001067000000000 ] - [ -0.0003564300000000, 0.0000572200000000, 0.0001093100000000 ] - [ -0.0001850400000000, -0.0001910200000000, 0.0037721300000000 ] - [ -0.0005342400000000, 0.0001379100000000, -0.0008122200000000 ] - [ -0.0003446500000000, 0.0001017800000000, 0.0001144000000000 ] - [ 0.0004785100000000, -0.0001166600000000, -0.0020453300000000 ] - [ 0.0002689500000000, -0.0002750600000000, -0.0006908600000000 ] - [ -0.0003454100000000, 0.0007058300000000, 0.0002947900000000 ] - [ 0.0000457100000000, 0.0000655800000000, 0.0008252800000000 ] - [ -0.0014791700000000, 0.0000068400000000, 0.0014941900000000 ] - [ 0.0008056400000000, 0.0010871600000000, 0.0002575500000000 ] - [ -0.0001821300000000, -0.0005664300000000, 0.0003272900000000 ] - [ 0.0086067900000000, 0.0025925000000000, 0.0050857000000000 ] - [ 0.0003139500000000, 0.0001560500000000, -0.0003561000000000 ] - [ 0.0004532100000000, 0.0002089300000000, -0.0000548000000000 ] - [ -0.0022964500000000, 0.0040376000000000, 0.0015675900000000 ] - [ 0.0002491200000000, 0.0003193900000000, 0.0002674800000000 ] - [ -0.0002064600000000, -0.0009726800000000, 0.0015607000000000 ] - [ 0.0022194200000000, -0.0004933300000000, 0.0034332200000000 ] - [ -0.0001209500000000, 0.0020895300000000, 0.0002153100000000 ] - [ 0.0007914800000000, 0.0000660200000000, -0.0004707600000000 ] - [ -0.0005212200000000, 0.0000877400000000, -0.0003802700000000 ] - [ 0.0000116000000000, 0.0002168200000000, -0.0003229700000000 ] - [ -0.0009165800000000, 0.0186394900000000, 0.0010945800000000 ] - [ 0.0002196600000000, -0.0002752300000000, 0.0001750600000000 ] - [ -0.0006396000000000, -0.0003876500000000, 0.0007288000000000 ] - [ -0.0003726800000000, -0.0003665700000000, 0.0004997600000000 ] - [ -0.0035462500000000, 0.0052042500000000, -0.0154240600000000 ] - [ 0.0002013200000000, -0.0002697900000000, -0.0004656600000000 ] - [ -0.0002202100000000, 0.0002680600000000, -0.0002806500000000 ] - [ -0.0000168000000000, 0.0003431000000000, -0.0002200200000000 ] - [ -0.0002877500000000, -0.0005239600000000, 0.0007956000000000 ] - [ 0.0001653100000000, -0.0000276300000000, 0.0004408900000000 ] - [ -0.0442909200000000, -0.0952058000000000, 0.0403171000000000 ] - [ 0.0001308500000000, -0.0004588700000000, -0.0004661500000000 ] - [ 0.0000416400000000, 0.0004492800000000, 0.0000474200000000 ] - [ 0.0000353100000000, 0.0004042900000000, 0.0003139100000000 ] - [ 0.0015636900000000, -0.0043967300000000, -0.0012943500000000 ] - [ 0.0006447200000000, -0.0013816300000000, 0.0001308800000000 ] - [ 0.0013321800000000, 0.0003031500000000, -0.0010710000000000 ] - [ -0.0007817200000000, 0.0009574500000000, -0.0014478300000000 ] - [ 0.0004417000000000, 0.0000682400000000, -0.0003287700000000 ] - [ 0.0003945500000000, 0.0006537200000000, -0.0004606400000000 ] - [ -0.0000168600000000, -0.0001242400000000, 0.0003042000000000 ] - [ -0.0000156300000000, -0.0000615100000000, 0.0004216400000000 ] - [ 0.0072636600000000, 0.0050264000000000, -0.0028751100000000 ] - [ -0.0007408900000000, -0.0006915300000000, -0.0002634200000000 ] - [ -0.0000191800000000, 0.0003894300000000, -0.0001684600000000 ] - [ -0.0000865500000000, 0.0004272000000000, -0.0002819400000000 ] - [ 0.0005739300000000, -0.0001358400000000, 0.0004858100000000 ] - [ 0.0004111300000000, -0.0004790600000000, -0.0003858900000000 ] - [ 0.0013558000000000, 0.0018131500000000, -0.0013299800000000 ] - [ -0.0007879100000000, 0.0002686600000000, 0.0003628900000000 ] - [ 0.0000591000000000, -0.0003960500000000, -0.0000168600000000 ] - [ 0.0004760100000000, 0.0000706700000000, -0.0004920400000000 ] - [ 0.0002739900000000, 0.0010962000000000, -0.0002223600000000 ] - [ -0.0001815700000000, 0.0001781900000000, 0.0002962900000000 ] - [ -0.0001712900000000, 0.0006873500000000, 0.0003287900000000 ] - [ -0.0000807300000000, 0.0005325300000000, 0.0002320500000000 ] - [ -0.0001352400000000, 0.0003273800000000, -0.0003353000000000 ] - [ -0.0001474400000000, 0.0002915900000000, -0.0003249100000000 ] - [ -0.0007253000000000, 0.0016776200000000, 0.0007556100000000 ] - [ -0.0002308900000000, 0.0007248400000000, 0.0003299800000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009973500000000, -0.0000278500000000, -0.0016064800000000 ] - [ 0.0001224000000000, 0.0000267700000000, 0.0003216400000000 ] - [ 0.0001704400000000, 0.0007981900000000, -0.0006832200000000 ] - [ -0.0004624700000000, 0.0008748500000000, -0.0006493200000000 ] - [ -0.0024522400000000, 0.0040958700000000, -0.0013548700000000 ] - [ 0.0004919900000000, 0.0015154300000000, -0.0001628400000000 ] - [ -0.0018388000000000, -0.0048364800000000, 0.0024743700000000 ] - [ 0.0008038500000000, -0.0008657200000000, -0.0001939300000000 ] - [ 0.0001101900000000, 0.0004093500000000, 0.0004687700000000 ] - [ 0.0004294600000000, 0.0002335300000000, 0.0001677900000000 ] - [ -0.0014094100000000, -0.0055469400000000, 0.0006362400000000 ] - [ -0.0000715100000000, -0.0015681900000000, -0.0001472400000000 ] - [ -0.0000227600000000, -0.0006151800000000, 0.0001463700000000 ] - [ -0.0003885000000000, -0.0006952300000000, 0.0011092900000000 ] - [ -0.0009862300000000, 0.0020705100000000, 0.0033274500000000 ] - [ 0.0007977000000000, 0.0004970100000000, 0.0004957500000000 ] - [ -0.0000754000000000, -0.0005382400000000, 0.0001705700000000 ] - [ -0.0000570600000000, -0.0002485400000000, -0.0006862500000000 ] - [ -0.0287098500000000, -0.0595303100000000, 0.0231211100000000 ] - [ 0.0001906800000000, -0.0009713600000000, -0.0000844900000000 ] - [ 0.0019292100000000, 0.0033549200000000, -0.0018009800000000 ] - [ -0.0020750100000000, 0.0019476300000000, -0.0015146100000000 ] - [ -0.0001389900000000, 0.0005365500000000, 0.0004418000000000 ] - [ -0.0000521100000000, 0.0003980800000000, 0.0003783400000000 ] - [ -0.0003664400000000, 0.0000943200000000, -0.0003225800000000 ] - [ 0.0003898600000000, 0.0000560500000000, 0.0001546000000000 ] - [ 0.0000184000000000, -0.0002126200000000, 0.0008379500000000 ] - [ 0.0011754000000000, -0.0008629100000000, 0.0075882600000000 ] - [ -0.0003856700000000, 0.0001154900000000, -0.0013635400000000 ] - [ 0.0001473700000000, 0.0000996600000000, -0.0001078700000000 ] - [ -0.0024158800000000, 0.0012154600000000, 0.0038118200000000 ] - [ 0.0008879800000000, -0.0000726600000000, 0.0002156700000000 ] - [ 0.0007477000000000, 0.0001225100000000, 0.0010925600000000 ] - [ 0.0000696800000000, 0.0000123400000000, 0.0001505600000000 ] - [ -0.0001064300000000, 0.0001182500000000, -0.0003629500000000 ] - [ -0.0002731000000000, 0.0003814600000000, -0.0040344700000000 ] - [ -0.0002879500000000, 0.0001993300000000, 0.0007436000000000 ] - [ -0.0004775700000000, 0.0002362700000000, -0.0001835300000000 ] - [ -0.0002234900000000, 0.0000632000000000, 0.0004008500000000 ] - [ -0.0000129100000000, 0.0002195600000000, -0.0009549000000000 ] - [ 0.0000896400000000, -0.0007570100000000, 0.0013538500000000 ] - [ -0.0003019000000000, -0.0001193200000000, 0.0008212400000000 ] - [ 0.0019141200000000, 0.0001625900000000, -0.0012205600000000 ] - [ -0.0003493900000000, -0.0009129400000000, 0.0000018800000000 ] - [ 0.0009964300000000, 0.0002355300000000, -0.0002554700000000 ] - [ -0.0078366700000000, -0.0029053000000000, -0.0050121500000000 ] - [ 0.0005080000000000, 0.0001823700000000, 0.0004285900000000 ] - [ 0.0003683200000000, 0.0001297300000000, 0.0001257500000000 ] - [ 0.0014400600000000, -0.0043194200000000, -0.0016183700000000 ] - [ -0.0010658000000000, -0.0006552700000000, -0.0003346100000000 ] - [ -0.0000551500000000, 0.0010359300000000, 0.0000909300000000 ] - [ -0.0024677700000000, 0.0005445400000000, -0.0017825200000000 ] - [ 0.0003766200000000, -0.0020279100000000, -0.0018476000000000 ] - [ -0.0005326300000000, -0.0000125100000000, -0.0011730600000000 ] - [ 0.0000663600000000, -0.0002631600000000, 0.0001257600000000 ] - [ -0.0004678800000000, -0.0003910700000000, 0.0000670500000000 ] - [ 0.0009789100000000, -0.0198859700000000, -0.0006287500000000 ] - [ -0.0001705400000000, -0.0005213100000000, 0.0003018800000000 ] - [ -0.0003315600000000, -0.0003869300000000, 0.0001172400000000 ] - [ -0.0005980100000000, -0.0004092500000000, 0.0003473400000000 ] - [ 0.0034397200000000, -0.0053808700000000, 0.0147955200000000 ] - [ -0.0003305500000000, 0.0000821800000000, -0.0003030100000000 ] - [ 0.0000899100000000, -0.0000771700000000, -0.0004888700000000 ] - [ -0.0001145200000000, -0.0001524700000000, -0.0005483500000000 ] - [ 0.0004158400000000, 0.0007103800000000, -0.0000293300000000 ] - [ -0.0000333900000000, 0.0002168700000000, 0.0003269900000000 ] - [ 0.0462066600000000, 0.0979087600000000, -0.0429175500000000 ] - [ -0.0002809700000000, 0.0002017500000000, -0.0002701400000000 ] - [ 0.0000091900000000, 0.0003492700000000, 0.0004297100000000 ] - [ 0.0000157200000000, 0.0003937700000000, 0.0001643300000000 ] - [ -0.0018603700000000, 0.0036902700000000, 0.0017269200000000 ] - [ -0.0010381900000000, 0.0006566100000000, 0.0003931600000000 ] - [ -0.0003589300000000, 0.0004716400000000, 0.0002194900000000 ] - [ 0.0017512700000000, -0.0001863600000000, 0.0005937500000000 ] - [ -0.0000439700000000, -0.0007897700000000, -0.0002001500000000 ] - [ -0.0000018000000000, -0.0013761400000000, -0.0000722200000000 ] - [ 0.0001655500000000, 0.0003806000000000, 0.0004318600000000 ] - [ 0.0001660700000000, 0.0003184600000000, 0.0003141900000000 ] - [ -0.0071969500000000, -0.0057745300000000, 0.0023621100000000 ] - [ 0.0006854600000000, -0.0001113900000000, -0.0002146600000000 ] - [ -0.0000314900000000, 0.0004094100000000, -0.0003095000000000 ] - [ 0.0000360700000000, 0.0003719200000000, -0.0001961200000000 ] - [ 0.0003967700000000, -0.0006419600000000, -0.0013316200000000 ] - [ 0.0005589600000000, -0.0003002700000000, -0.0004588400000000 ] - [ -0.0023368600000000, -0.0010298100000000, 0.0021877100000000 ] - [ -0.0001812300000000, 0.0005120200000000, 0.0004810900000000 ] - [ 0.0003342600000000, 0.0011180600000000, -0.0005086900000000 ] - [ -0.0000787200000000, 0.0006515300000000, -0.0000404400000000 ] - [ -0.0001450200000000, -0.0012896200000000, 0.0009838300000000 ] - [ 0.0003107400000000, -0.0003677400000000, 0.0004704900000000 ] - [ -0.0002248700000000, 0.0000363200000000, 0.0001955800000000 ] - [ -0.0003150600000000, 0.0001915700000000, 0.0002940900000000 ] - [ -0.0000148600000000, -0.0000694800000000, -0.0004002400000000 ] - [ -0.0000023300000000, -0.0000336200000000, -0.0004108300000000 ] - [ 0.0008830500000000, -0.0019359800000000, -0.0000237800000000 ] - [ 0.0003738200000000, -0.0009778900000000, 0.0004038000000000 ]- atom: 67 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ 0.0013359300000000, 0.0017913900000000, -0.0042005900000000 ] - [ -0.0004431800000000, 0.0006005500000000, -0.0004738500000000 ] - [ 0.0007648400000000, 0.0008946900000000, -0.0016649300000000 ] - [ -0.0009844300000000, 0.0010113500000000, -0.0014825300000000 ] - [ -0.0018570400000000, 0.0023068500000000, 0.0019971900000000 ] - [ 0.0007446100000000, 0.0006824100000000, 0.0008887400000000 ] - [ -0.0045929600000000, -0.0051523900000000, 0.0183044000000000 ] - [ 0.0004288500000000, 0.0003752300000000, 0.0003787700000000 ] - [ 0.0007725400000000, -0.0006060700000000, -0.0014568800000000 ] - [ -0.0002395000000000, -0.0002770600000000, -0.0007895300000000 ] - [ 0.0004960900000000, -0.0009474900000000, 0.0084288400000000 ] - [ 0.0029469800000000, -0.0021029100000000, 0.0004971300000000 ] - [ 0.0006536300000000, -0.0006109400000000, -0.0016533100000000 ] - [ -0.0011633400000000, -0.0006157400000000, -0.0014348300000000 ] - [ -0.0000479500000000, -0.0015745500000000, 0.0006584800000000 ] - [ 0.0003444100000000, -0.0006824900000000, 0.0006542700000000 ] - [ -0.0005972500000000, -0.0002927100000000, -0.0032438800000000 ] - [ -0.0000145900000000, -0.0003156100000000, -0.0029781200000000 ] - [ -0.0227543500000000, -0.0290991300000000, 0.0355155200000000 ] - [ 0.0007179100000000, 0.0001486400000000, 0.0030686100000000 ] - [ 0.0023857500000000, 0.0018128200000000, 0.0007924400000000 ] - [ -0.0010086700000000, 0.0010944100000000, 0.0022562900000000 ] - [ 0.0001321900000000, 0.0001556200000000, -0.0015569100000000 ] - [ -0.0005117600000000, 0.0001092200000000, -0.0010821500000000 ] - [ -0.0009681600000000, 0.0000459600000000, -0.0016847500000000 ] - [ 0.0007440400000000, 0.0000522000000000, -0.0013281700000000 ] - [ 0.0040469700000000, -0.0002821600000000, 0.0023554800000000 ] - [ -0.0062328600000000, -0.0006367900000000, 0.0065537100000000 ] - [ -0.0000987000000000, 0.0001928900000000, -0.0044364200000000 ] - [ -0.0002422500000000, 0.0001339700000000, -0.0020164800000000 ] - [ 0.0007432800000000, -0.0007599700000000, 0.0036267600000000 ] - [ -0.0005374600000000, 0.0000960500000000, 0.0023348300000000 ] - [ 0.0006730300000000, -0.0000479300000000, 0.0030518600000000 ] - [ -0.0001299900000000, -0.0001090500000000, 0.0007826300000000 ] - [ -0.0019177600000000, -0.0000178800000000, -0.0000478100000000 ] - [ 0.0058265200000000, 0.0035307700000000, 0.0009768600000000 ] - [ -0.0001760100000000, 0.0001502700000000, 0.0030950400000000 ] - [ -0.0001496000000000, 0.0001910800000000, 0.0014915000000000 ] - [ -0.0005941800000000, -0.0000160500000000, 0.0023077700000000 ] - [ 0.0007117600000000, -0.0000775200000000, -0.0001791900000000 ] - [ 0.0007473000000000, -0.0007913700000000, 0.0019554200000000 ] - [ -0.0001421500000000, -0.0000689300000000, 0.0012103600000000 ] - [ 0.0004900200000000, 0.0005607900000000, -0.0008684000000000 ] - [ 0.0013854800000000, 0.0005524300000000, -0.0009744800000000 ] - [ -0.0009967700000000, 0.0002669300000000, -0.0020681700000000 ] - [ 0.0004881100000000, -0.0007062800000000, -0.0065475300000000 ] - [ 0.0007612700000000, 0.0002441700000000, 0.0015036100000000 ] - [ 0.0004241500000000, 0.0001973400000000, 0.0013507200000000 ] - [ -0.0003899100000000, -0.0006516100000000, -0.0030408000000000 ] - [ -0.0009578000000000, -0.0004788500000000, -0.0019269200000000 ] - [ -0.0036063800000000, 0.0019887900000000, 0.0009034900000000 ] - [ 0.0014416200000000, -0.0001060400000000, -0.0002196900000000 ] - [ -0.0010672000000000, 0.0009898200000000, -0.0020265100000000 ] - [ -0.0002467400000000, 0.0002346800000000, -0.0014347200000000 ] - [ 0.0001252700000000, -0.0002236100000000, 0.0003206400000000 ] - [ -0.0010524600000000, -0.0003770300000000, 0.0006186000000000 ] - [ 0.0007730100000000, 0.0003746400000000, -0.0039969000000000 ] - [ -0.0002565400000000, -0.0003077400000000, -0.0004873700000000 ] - [ -0.0005789300000000, -0.0000130200000000, 0.0011599900000000 ] - [ -0.0005960100000000, -0.0002379900000000, 0.0008705200000000 ] - [ 0.0057701500000000, -0.0145569000000000, 0.0156184900000000 ] - [ -0.0004956100000000, -0.0003109000000000, -0.0007104500000000 ] - [ -0.0001327900000000, 0.0001336400000000, 0.0001912000000000 ] - [ 0.0001623200000000, 0.0001458700000000, -0.0000463400000000 ] - [ 0.0003667400000000, 0.0007892700000000, 0.0020138600000000 ] - [ -0.0000126300000000, 0.0001954100000000, 0.0008164500000000 ] - [ 0.0394815700000000, 0.0525358400000000, -0.0902669100000000 ] - [ -0.0004237300000000, -0.0002775600000000, -0.0012822100000000 ] - [ -0.0001785700000000, 0.0002402400000000, 0.0013850800000000 ] - [ 0.0002240900000000, 0.0004550500000000, 0.0008646800000000 ] - [ -0.0182219900000000, -0.0024572600000000, 0.0141198900000000 ] - [ 0.0007673000000000, -0.0009642200000000, -0.0005403700000000 ] - [ -0.0003494100000000, 0.0001841900000000, -0.0003898600000000 ] - [ 0.0027913000000000, -0.0013068700000000, -0.0003934400000000 ] - [ -0.0001930100000000, -0.0005242300000000, -0.0004344300000000 ] - [ 0.0004970500000000, -0.0005097600000000, -0.0006481400000000 ] - [ 0.0000803400000000, 0.0000913500000000, 0.0016095300000000 ] - [ 0.0001240800000000, 0.0002026900000000, 0.0012652400000000 ] - [ -0.0044019800000000, -0.0045072800000000, -0.0019265700000000 ] - [ 0.0001356900000000, -0.0002218800000000, -0.0014715000000000 ] - [ -0.0001561200000000, 0.0006178900000000, 0.0007896400000000 ] - [ 0.0001414400000000, 0.0003223600000000, 0.0005098300000000 ] - [ 0.0008378900000000, 0.0000553100000000, 0.0005527700000000 ] - [ 0.0002740800000000, -0.0002954000000000, 0.0002349200000000 ] - [ -0.0018041100000000, -0.0018745600000000, 0.0001083800000000 ] - [ -0.0002057800000000, 0.0004064600000000, -0.0001324100000000 ] - [ 0.0008182800000000, 0.0004636000000000, 0.0008366100000000 ] - [ -0.0007830000000000, 0.0008062000000000, 0.0011661400000000 ] - [ -0.0010818100000000, -0.0018030800000000, 0.0003846800000000 ] - [ 0.0004225300000000, -0.0002935300000000, 0.0001968400000000 ] - [ -0.0001937000000000, 0.0001449500000000, 0.0008174000000000 ] - [ -0.0003107600000000, 0.0002467300000000, 0.0006590700000000 ] - [ -0.0001710900000000, 0.0000817800000000, 0.0003871400000000 ] - [ 0.0001094400000000, 0.0000687100000000, 0.0001899100000000 ] - [ 0.0000927600000000, -0.0007117800000000, -0.0007491400000000 ] - [ 0.0000663700000000, -0.0001714200000000, -0.0003346200000000 ]- atom: 67 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ -0.0010025700000000, -0.0010234800000000, 0.0048303200000000 ] - [ 0.0007849200000000, 0.0001617800000000, 0.0011034300000000 ] - [ -0.0011176100000000, -0.0001424600000000, 0.0010492100000000 ] - [ 0.0006573900000000, -0.0002600600000000, 0.0008619600000000 ] - [ 0.0014044300000000, -0.0019595800000000, -0.0017057400000000 ] - [ -0.0012251100000000, -0.0003279800000000, -0.0006092000000000 ] - [ 0.0053649800000000, 0.0059729100000000, -0.0198574500000000 ] - [ 0.0000315000000000, -0.0000130900000000, -0.0006582400000000 ] - [ -0.0003055300000000, 0.0002473300000000, 0.0012009100000000 ] - [ 0.0007139000000000, -0.0000804200000000, 0.0005253000000000 ] - [ -0.0006173200000000, 0.0003096600000000, -0.0088736400000000 ] - [ -0.0032879800000000, 0.0013358200000000, -0.0011058200000000 ] - [ -0.0011378700000000, 0.0002634100000000, 0.0019296300000000 ] - [ 0.0007043900000000, 0.0002686100000000, 0.0017011100000000 ] - [ 0.0004015900000000, 0.0008062900000000, -0.0000718600000000 ] - [ -0.0000157400000000, -0.0000844200000000, -0.0000417700000000 ] - [ 0.0006834300000000, 0.0005523500000000, 0.0025158900000000 ] - [ 0.0001142400000000, 0.0005747900000000, 0.0022544000000000 ] - [ 0.0216948500000000, 0.0272011000000000, -0.0343227300000000 ] - [ -0.0008082500000000, -0.0004095900000000, -0.0023308600000000 ] - [ -0.0023081100000000, -0.0020852700000000, -0.0015593000000000 ] - [ 0.0010975700000000, -0.0013647400000000, -0.0030287000000000 ] - [ -0.0002211000000000, 0.0001047900000000, 0.0023048800000000 ] - [ 0.0004219800000000, 0.0001505800000000, 0.0018259800000000 ] - [ 0.0011638900000000, 0.0001119200000000, 0.0022098500000000 ] - [ -0.0005491200000000, 0.0001058300000000, 0.0018552200000000 ] - [ -0.0038879900000000, 0.0001256600000000, -0.0018832200000000 ] - [ 0.0064664600000000, 0.0004810000000000, -0.0061991300000000 ] - [ -0.0000925500000000, -0.0000362800000000, 0.0039667700000000 ] - [ 0.0000431000000000, 0.0000234500000000, 0.0015046400000000 ] - [ -0.0009554700000000, 0.0006090600000000, -0.0041192100000000 ] - [ 0.0003436400000000, -0.0002535100000000, -0.0028571100000000 ] - [ -0.0002352800000000, -0.0001327900000000, -0.0028317400000000 ] - [ 0.0005902600000000, -0.0000676300000000, -0.0005266500000000 ] - [ 0.0014748100000000, 0.0001946500000000, -0.0002017100000000 ] - [ -0.0063646400000000, -0.0034034300000000, -0.0012320200000000 ] - [ -0.0006497700000000, 0.0001892900000000, -0.0031959100000000 ] - [ -0.0006727700000000, 0.0001468800000000, -0.0015666500000000 ] - [ 0.0008661800000000, -0.0000417800000000, -0.0039985000000000 ] - [ -0.0004573500000000, 0.0000210300000000, -0.0014662200000000 ] - [ -0.0010042900000000, 0.0007343300000000, -0.0003133500000000 ] - [ -0.0001150800000000, 0.0000140900000000, 0.0004319500000000 ] - [ -0.0000255800000000, -0.0003828200000000, 0.0011177400000000 ] - [ -0.0009348200000000, -0.0003745200000000, 0.0012336300000000 ] - [ 0.0018177700000000, -0.0006045400000000, 0.0021696600000000 ] - [ 0.0004407100000000, 0.0004368500000000, 0.0067151700000000 ] - [ 0.0000601100000000, 0.0000937000000000, -0.0014393300000000 ] - [ 0.0003965900000000, 0.0001403500000000, -0.0012882900000000 ] - [ -0.0004226500000000, 0.0002995600000000, 0.0029693700000000 ] - [ 0.0001370900000000, 0.0001422000000000, 0.0018620600000000 ] - [ 0.0033907700000000, -0.0019628900000000, 0.0007502000000000 ] - [ -0.0016892000000000, 0.0001568600000000, 0.0019057500000000 ] - [ 0.0013268400000000, -0.0009385700000000, 0.0003748600000000 ] - [ 0.0005023500000000, -0.0001785300000000, -0.0002110700000000 ] - [ -0.0005804700000000, 0.0000467000000000, -0.0005824500000000 ] - [ 0.0005998300000000, 0.0001999200000000, -0.0008812000000000 ] - [ -0.0007347500000000, -0.0010340300000000, 0.0044918800000000 ] - [ 0.0003109700000000, -0.0004920600000000, 0.0009669400000000 ] - [ -0.0003933800000000, -0.0007680500000000, -0.0003130800000000 ] - [ -0.0003714400000000, -0.0005402300000000, -0.0000230500000000 ] - [ -0.0057812000000000, 0.0141217400000000, -0.0161825400000000 ] - [ 0.0003641600000000, 0.0001198100000000, -0.0000599900000000 ] - [ 0.0000012100000000, 0.0000556200000000, -0.0009591300000000 ] - [ -0.0002940400000000, 0.0000443500000000, -0.0007192200000000 ] - [ -0.0002338400000000, -0.0005987000000000, -0.0012525200000000 ] - [ 0.0001409400000000, -0.0000055400000000, -0.0000517900000000 ] - [ -0.0390229300000000, -0.0516045200000000, 0.0897594900000000 ] - [ 0.0002761700000000, 0.0000202700000000, 0.0005479200000000 ] - [ 0.0002293600000000, 0.0005551300000000, -0.0009103700000000 ] - [ -0.0001743100000000, 0.0003412300000000, -0.0003883700000000 ] - [ 0.0174783600000000, 0.0016850300000000, -0.0133504200000000 ] - [ -0.0011673900000000, 0.0002424900000000, 0.0010678800000000 ] - [ 0.0013277600000000, 0.0005944400000000, -0.0004513300000000 ] - [ -0.0018507400000000, 0.0020982900000000, -0.0004421900000000 ] - [ 0.0005933800000000, -0.0001955100000000, -0.0000879100000000 ] - [ -0.0001026900000000, -0.0002082900000000, 0.0001300700000000 ] - [ 0.0000713900000000, 0.0001652600000000, -0.0008783500000000 ] - [ 0.0000212500000000, 0.0000506000000000, -0.0005327200000000 ] - [ 0.0043723200000000, 0.0037311000000000, 0.0014904900000000 ] - [ -0.0001822300000000, -0.0005778900000000, 0.0010002900000000 ] - [ 0.0001073500000000, 0.0001818000000000, -0.0012729900000000 ] - [ -0.0001963300000000, 0.0004797900000000, -0.0009924500000000 ] - [ 0.0001319500000000, -0.0008341800000000, -0.0014062200000000 ] - [ 0.0006979500000000, -0.0004786600000000, -0.0010861900000000 ] - [ 0.0008411300000000, 0.0026519000000000, 0.0007214900000000 ] - [ -0.0007685100000000, 0.0003698000000000, 0.0009776000000000 ] - [ -0.0004250200000000, 0.0002607900000000, -0.0013699900000000 ] - [ 0.0011746300000000, -0.0000844500000000, -0.0016950500000000 ] - [ 0.0012297200000000, 0.0016429600000000, 0.0003932900000000 ] - [ -0.0002941700000000, 0.0001069500000000, 0.0005759300000000 ] - [ -0.0002033200000000, 0.0005829700000000, -0.0002914200000000 ] - [ -0.0000826300000000, 0.0004784700000000, -0.0001325600000000 ] - [ 0.0000217900000000, 0.0001766500000000, -0.0011274100000000 ] - [ -0.0002604200000000, 0.0001897900000000, -0.0009276500000000 ] - [ 0.0000493700000000, 0.0004637300000000, 0.0014956700000000 ] - [ 0.0000868500000000, -0.0000832600000000, 0.0010751200000000 ]- atom: 71 displacement: [ 0.0099999968540720, 0.0000000000000000, 0.0000079321213628 ] forces: - [ 0.0062658900000000, -0.0000509300000000, -0.0016117800000000 ] - [ -0.0020845200000000, -0.0001497200000000, 0.0007325000000000 ] - [ -0.0002071700000000, 0.0003966500000000, -0.0004478500000000 ] - [ -0.0001184300000000, 0.0004407900000000, -0.0000772100000000 ] - [ -0.0022540800000000, 0.0030874900000000, 0.0003193200000000 ] - [ 0.0007678200000000, -0.0008110300000000, -0.0000186100000000 ] - [ 0.0001814700000000, -0.0005488600000000, 0.0028176700000000 ] - [ -0.0002781700000000, 0.0000841600000000, -0.0015981900000000 ] - [ 0.0022288100000000, -0.0001610200000000, -0.0001009100000000 ] - [ -0.0012208200000000, 0.0003875000000000, 0.0003930800000000 ] - [ -0.0061195700000000, -0.0044935600000000, -0.0010754600000000 ] - [ 0.0180044600000000, -0.0069182300000000, -0.0008369500000000 ] - [ -0.0002607400000000, -0.0002223000000000, -0.0000789500000000 ] - [ -0.0002516100000000, -0.0002609000000000, 0.0004727900000000 ] - [ 0.0003249400000000, -0.0000554300000000, 0.0013104600000000 ] - [ -0.0000722400000000, -0.0003351300000000, -0.0002263400000000 ] - [ -0.0013631000000000, -0.0003611400000000, -0.0023372900000000 ] - [ -0.0007849100000000, 0.0013938300000000, 0.0029699100000000 ] - [ 0.0308652200000000, -0.0167069800000000, -0.0141346900000000 ] - [ -0.0038785900000000, -0.0012193700000000, -0.0005582000000000 ] - [ -0.0015059100000000, -0.0003964900000000, -0.0003614200000000 ] - [ 0.0018398300000000, 0.0008244200000000, -0.0012932800000000 ] - [ 0.0005344000000000, 0.0002930900000000, 0.0006913700000000 ] - [ -0.0005994600000000, 0.0001716500000000, 0.0000464700000000 ] - [ -0.0009578400000000, 0.0001052400000000, -0.0006278800000000 ] - [ 0.0006559000000000, -0.0000251900000000, 0.0007972300000000 ] - [ -0.0011077400000000, -0.0000592700000000, 0.0005674000000000 ] - [ 0.0008839400000000, 0.0006008200000000, -0.0009755500000000 ] - [ 0.0002132400000000, -0.0000035600000000, 0.0010317200000000 ] - [ -0.0004368200000000, 0.0001011000000000, -0.0007473300000000 ] - [ 0.0046987300000000, -0.0005255300000000, -0.0010143400000000 ] - [ -0.0045200600000000, -0.0004137300000000, -0.0016371200000000 ] - [ 0.0001548200000000, -0.0000876500000000, -0.0004456200000000 ] - [ 0.0004106100000000, -0.0000715300000000, 0.0003498200000000 ] - [ 0.0006130600000000, 0.0002019500000000, -0.0002975300000000 ] - [ -0.0017946100000000, -0.0004320100000000, 0.0004625900000000 ] - [ -0.0008243800000000, 0.0000496300000000, -0.0014290300000000 ] - [ -0.0001029800000000, 0.0002198600000000, 0.0004760800000000 ] - [ -0.0002584000000000, 0.0000323600000000, -0.0014733900000000 ] - [ 0.0004009600000000, -0.0000409700000000, -0.0005555300000000 ] - [ 0.0003673400000000, -0.0006879100000000, 0.0016341100000000 ] - [ -0.0004051400000000, 0.0000740600000000, 0.0003939400000000 ] - [ -0.0029583400000000, -0.0017552200000000, 0.0011085900000000 ] - [ 0.0029368800000000, 0.0004067800000000, -0.0003923400000000 ] - [ 0.0013606900000000, -0.0001416100000000, -0.0000541400000000 ] - [ -0.0015845400000000, 0.0014972200000000, 0.0040713500000000 ] - [ 0.0007305600000000, 0.0002096300000000, 0.0006707400000000 ] - [ 0.0001662900000000, 0.0001590700000000, -0.0003555300000000 ] - [ -0.0015590300000000, 0.0000019500000000, 0.0003604800000000 ] - [ 0.0006345600000000, -0.0001583200000000, 0.0009314800000000 ] - [ 0.0005766500000000, -0.0001541500000000, 0.0006799000000000 ] - [ -0.0004778600000000, 0.0001126400000000, 0.0009491000000000 ] - [ -0.0021550900000000, 0.0008713900000000, -0.0014538900000000 ] - [ 0.0039235500000000, -0.0027883700000000, 0.0002637400000000 ] - [ 0.0005263100000000, -0.0002522100000000, 0.0000812300000000 ] - [ -0.0009096200000000, -0.0000998500000000, -0.0002545400000000 ] - [ -0.0000525700000000, -0.0022909500000000, -0.0014395400000000 ] - [ 0.0004262700000000, -0.0000263400000000, 0.0007549400000000 ] - [ -0.0006571500000000, -0.0003518700000000, 0.0002765500000000 ] - [ -0.0003458000000000, -0.0004048300000000, 0.0005509400000000 ] - [ 0.0191515400000000, -0.0129920200000000, 0.0020279300000000 ] - [ 0.0027368400000000, 0.0015944900000000, -0.0002660100000000 ] - [ -0.0000847700000000, 0.0000428100000000, -0.0004502100000000 ] - [ -0.0000215200000000, 0.0000913900000000, -0.0003364000000000 ] - [ 0.0017165900000000, 0.0022255000000000, 0.0046904100000000 ] - [ 0.0013960400000000, -0.0000279100000000, -0.0009387400000000 ] - [ 0.0105029900000000, 0.0015897000000000, -0.0160969800000000 ] - [ 0.0015108100000000, 0.0007073600000000, 0.0010586400000000 ] - [ -0.0003987500000000, 0.0001727000000000, 0.0007173200000000 ] - [ 0.0003002500000000, 0.0005181700000000, 0.0001906800000000 ] - [ -0.0783056100000000, 0.0405928300000000, 0.0266646100000000 ] - [ 0.0017323600000000, -0.0006196300000000, 0.0001680300000000 ] - [ 0.0009126200000000, 0.0003550900000000, -0.0003825100000000 ] - [ -0.0002044200000000, 0.0005902700000000, -0.0003232900000000 ] - [ 0.0004739000000000, -0.0003626300000000, -0.0001733500000000 ] - [ -0.0001213000000000, -0.0004710200000000, -0.0002804600000000 ] - [ 0.0001146800000000, -0.0000106600000000, 0.0010222300000000 ] - [ 0.0006087200000000, 0.0004033200000000, -0.0004957000000000 ] - [ 0.0009659800000000, 0.0004457000000000, -0.0007743600000000 ] - [ -0.0006619700000000, -0.0017118600000000, 0.0020360300000000 ] - [ -0.0000739400000000, 0.0007699600000000, 0.0003381500000000 ] - [ 0.0001865600000000, 0.0001380900000000, -0.0008044100000000 ] - [ 0.0012343200000000, 0.0001037100000000, -0.0001122500000000 ] - [ -0.0000240300000000, -0.0014500800000000, -0.0018188500000000 ] - [ -0.0065509900000000, -0.0023432400000000, 0.0005436000000000 ] - [ 0.0008603400000000, 0.0006927700000000, 0.0004350000000000 ] - [ 0.0012548300000000, 0.0004308700000000, 0.0005067700000000 ] - [ 0.0021719700000000, 0.0004213400000000, -0.0067006000000000 ] - [ 0.0002240500000000, 0.0000428300000000, 0.0001697500000000 ] - [ 0.0000100100000000, -0.0002873000000000, 0.0007942600000000 ] - [ -0.0003245500000000, 0.0003210300000000, 0.0000850400000000 ] - [ -0.0000804300000000, 0.0003459400000000, 0.0004059300000000 ] - [ -0.0002879600000000, 0.0001019700000000, -0.0004216000000000 ] - [ 0.0001598400000000, 0.0000123300000000, -0.0004202300000000 ] - [ 0.0005494900000000, -0.0003706500000000, 0.0000890800000000 ] - [ -0.0002204100000000, -0.0003242300000000, 0.0005973800000000 ]- atom: 71 displacement: [ -0.0099999968540720, 0.0000000000000000, -0.0000079321213628 ] forces: - [ -0.0059218900000000, 0.0007876500000000, 0.0023031300000000 ] - [ 0.0024305300000000, 0.0009200400000000, -0.0001237700000000 ] - [ -0.0001298400000000, 0.0003638600000000, -0.0001717200000000 ] - [ -0.0002203700000000, 0.0003190400000000, -0.0005500200000000 ] - [ 0.0018029200000000, -0.0027238500000000, -0.0000456000000000 ] - [ -0.0012845400000000, 0.0011563700000000, 0.0002909900000000 ] - [ 0.0003000100000000, 0.0009092800000000, -0.0030883700000000 ] - [ 0.0007412600000000, 0.0002779100000000, 0.0013417000000000 ] - [ -0.0017634400000000, -0.0001951900000000, -0.0001600200000000 ] - [ 0.0017002000000000, -0.0007531600000000, -0.0006772600000000 ] - [ 0.0057907200000000, 0.0037186500000000, 0.0004514600000000 ] - [ -0.0193769000000000, 0.0067744900000000, 0.0002236600000000 ] - [ -0.0002081700000000, -0.0001332400000000, 0.0003544800000000 ] - [ -0.0002189700000000, -0.0000936500000000, -0.0002151000000000 ] - [ 0.0000238500000000, -0.0007114300000000, -0.0006910400000000 ] - [ 0.0004015800000000, -0.0004326200000000, 0.0008516200000000 ] - [ 0.0014692300000000, 0.0006243300000000, 0.0015969500000000 ] - [ 0.0008663000000000, -0.0011312500000000, -0.0037364700000000 ] - [ -0.0305029100000000, 0.0154363400000000, 0.0139516700000000 ] - [ 0.0038071300000000, 0.0009769900000000, 0.0013157100000000 ] - [ 0.0016072800000000, 0.0001330300000000, -0.0003677900000000 ] - [ -0.0017642100000000, -0.0010947800000000, 0.0005533900000000 ] - [ -0.0006263800000000, -0.0000374500000000, 0.0000505600000000 ] - [ 0.0005116400000000, 0.0000872500000000, 0.0006911400000000 ] - [ 0.0011724100000000, 0.0000531600000000, 0.0011432300000000 ] - [ -0.0004817500000000, 0.0001831400000000, -0.0002813900000000 ] - [ 0.0013084200000000, -0.0000989300000000, -0.0000369200000000 ] - [ -0.0006715200000000, -0.0007412600000000, 0.0014080500000000 ] - [ -0.0004072400000000, 0.0001612200000000, -0.0015540200000000 ] - [ 0.0002400500000000, 0.0000563600000000, 0.0002265200000000 ] - [ -0.0048915500000000, 0.0003751200000000, 0.0005001500000000 ] - [ 0.0043652600000000, 0.0002610800000000, 0.0011449900000000 ] - [ 0.0002997300000000, -0.0000903500000000, 0.0007052600000000 ] - [ 0.0000453000000000, -0.0001059800000000, -0.0000936400000000 ] - [ -0.0010677000000000, -0.0000269600000000, 0.0000349000000000 ] - [ 0.0013203800000000, 0.0006059800000000, -0.0006985400000000 ] - [ 0.0000056000000000, 0.0002875000000000, 0.0013649600000000 ] - [ -0.0007199000000000, 0.0001172600000000, -0.0005433500000000 ] - [ 0.0005158000000000, -0.0000881500000000, -0.0001719000000000 ] - [ -0.0001424000000000, -0.0000160700000000, -0.0010890400000000 ] - [ -0.0006375700000000, 0.0006367100000000, 0.0000101700000000 ] - [ 0.0001635300000000, -0.0001292100000000, 0.0012579000000000 ] - [ 0.0034311200000000, 0.0019329200000000, -0.0008532100000000 ] - [ -0.0025011800000000, -0.0002333300000000, 0.0006531300000000 ] - [ -0.0005423500000000, -0.0001984100000000, 0.0001134500000000 ] - [ 0.0024322300000000, -0.0018056000000000, -0.0038677100000000 ] - [ 0.0000884100000000, 0.0001284700000000, -0.0006010600000000 ] - [ 0.0006615100000000, 0.0001787300000000, 0.0004250500000000 ] - [ 0.0007404300000000, -0.0003409100000000, -0.0004335400000000 ] - [ -0.0014640100000000, -0.0001796600000000, -0.0010191600000000 ] - [ -0.0008375400000000, 0.0002080300000000, 0.0009612200000000 ] - [ 0.0002482700000000, -0.0000657100000000, 0.0007287400000000 ] - [ 0.0024100500000000, -0.0008170200000000, -0.0001916900000000 ] - [ -0.0037098800000000, 0.0028929100000000, -0.0019220700000000 ] - [ -0.0009918300000000, 0.0000741200000000, -0.0003334200000000 ] - [ 0.0004727100000000, -0.0000708900000000, -0.0000102700000000 ] - [ 0.0000863500000000, 0.0014939800000000, 0.0019200200000000 ] - [ -0.0003703300000000, -0.0007793300000000, -0.0002834800000000 ] - [ -0.0003126400000000, -0.0004250500000000, 0.0005710900000000 ] - [ -0.0006230800000000, -0.0003722900000000, 0.0002960300000000 ] - [ -0.0189080600000000, 0.0125154700000000, -0.0027463800000000 ] - [ -0.0028911600000000, -0.0018101100000000, -0.0005007100000000 ] - [ -0.0000467200000000, 0.0001467800000000, -0.0003192100000000 ] - [ -0.0001073700000000, 0.0000989600000000, -0.0004292500000000 ] - [ -0.0015922600000000, -0.0020234000000000, -0.0038913100000000 ] - [ -0.0012721900000000, 0.0002154100000000, 0.0017285900000000 ] - [ -0.0105570600000000, -0.0018321700000000, 0.0151304800000000 ] - [ -0.0016700600000000, -0.0009760100000000, -0.0018154400000000 ] - [ 0.0004541100000000, 0.0006272500000000, -0.0002486200000000 ] - [ -0.0002498800000000, 0.0002777300000000, 0.0002908600000000 ] - [ 0.0779961700000000, -0.0408766600000000, -0.0252835200000000 ] - [ -0.0021336000000000, -0.0001048600000000, 0.0003592100000000 ] - [ 0.0000572900000000, 0.0004213400000000, -0.0004680900000000 ] - [ 0.0011774500000000, 0.0001845500000000, -0.0005233400000000 ] - [ -0.0000773600000000, -0.0003592500000000, -0.0003568300000000 ] - [ 0.0005187100000000, -0.0002503600000000, -0.0002445800000000 ] - [ 0.0000294300000000, 0.0002631200000000, -0.0002914700000000 ] - [ -0.0004587700000000, -0.0001506400000000, 0.0012393500000000 ] - [ -0.0010209700000000, -0.0012438400000000, 0.0002935200000000 ] - [ 0.0006270600000000, 0.0009225400000000, -0.0025354300000000 ] - [ 0.0000225900000000, 0.0000282200000000, -0.0008176000000000 ] - [ -0.0002366100000000, 0.0006632900000000, 0.0003330300000000 ] - [ -0.0002689200000000, -0.0008829800000000, -0.0007310400000000 ] - [ 0.0010077300000000, 0.0006798100000000, 0.0009883300000000 ] - [ 0.0055669300000000, 0.0033217400000000, 0.0002970500000000 ] - [ -0.0018356300000000, 0.0000799100000000, 0.0004096300000000 ] - [ -0.0008665400000000, 0.0002947800000000, -0.0010291700000000 ] - [ -0.0017794900000000, 0.0002892000000000, 0.0062466200000000 ] - [ -0.0000949500000000, -0.0002313000000000, 0.0005966000000000 ] - [ 0.0001233000000000, 0.0001002800000000, -0.0000281900000000 ] - [ -0.0000702800000000, 0.0004032000000000, 0.0004420500000000 ] - [ -0.0003145100000000, 0.0003776800000000, 0.0001202500000000 ] - [ 0.0001396700000000, 0.0001561400000000, -0.0003155000000000 ] - [ -0.0003097900000000, 0.0002464600000000, -0.0003126500000000 ] - [ -0.0004043800000000, 0.0001154100000000, 0.0006439000000000 ] - [ 0.0003760000000000, 0.0000721000000000, 0.0001391000000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009604900000000, 0.0056383400000000, 0.0023441700000000 ] - [ 0.0006180200000000, 0.0010439100000000, 0.0002509700000000 ] - [ -0.0001568000000000, 0.0001932000000000, -0.0003959500000000 ] - [ -0.0001757300000000, 0.0001688200000000, -0.0003289200000000 ] - [ 0.0015113100000000, -0.0023664600000000, 0.0000559900000000 ] - [ -0.0037799100000000, -0.0033953000000000, 0.0000025100000000 ] - [ 0.0002716400000000, 0.0008598200000000, 0.0001380800000000 ] - [ 0.0002371700000000, 0.0009118300000000, 0.0007643200000000 ] - [ -0.0004039600000000, -0.0032063400000000, -0.0017653200000000 ] - [ 0.0006371600000000, -0.0009287800000000, -0.0005860000000000 ] - [ -0.0023006700000000, 0.0014942500000000, -0.0001227400000000 ] - [ -0.0065011000000000, 0.0055301800000000, -0.0002791900000000 ] - [ -0.0001584400000000, 0.0000588100000000, 0.0002959200000000 ] - [ -0.0002416400000000, 0.0000866000000000, -0.0005343700000000 ] - [ 0.0005412100000000, -0.0011002600000000, -0.0003203200000000 ] - [ -0.0001880600000000, -0.0009468300000000, 0.0002842400000000 ] - [ -0.0010103000000000, 0.0009327700000000, -0.0015203500000000 ] - [ 0.0004883200000000, 0.0007659800000000, -0.0022641000000000 ] - [ -0.0181827000000000, 0.0419230400000000, 0.0205415800000000 ] - [ 0.0004752200000000, 0.0011263000000000, 0.0003704500000000 ] - [ 0.0004151700000000, -0.0005440900000000, 0.0000350800000000 ] - [ 0.0000793900000000, -0.0020727400000000, 0.0015522100000000 ] - [ -0.0001055100000000, -0.0004375300000000, 0.0005272900000000 ] - [ 0.0001146600000000, -0.0000681300000000, 0.0004282900000000 ] - [ 0.0011017800000000, 0.0001160300000000, 0.0008224400000000 ] - [ -0.0012000300000000, 0.0001339500000000, 0.0006287300000000 ] - [ 0.0003410300000000, -0.0000657800000000, 0.0003152600000000 ] - [ 0.0006516800000000, 0.0009023200000000, -0.0044840500000000 ] - [ -0.0000854100000000, 0.0000921500000000, -0.0008957800000000 ] - [ -0.0001851200000000, 0.0000769200000000, -0.0004481100000000 ] - [ -0.0038069100000000, -0.0024866600000000, 0.0018699700000000 ] - [ 0.0015956500000000, 0.0000846600000000, 0.0005437500000000 ] - [ 0.0000682700000000, -0.0002112500000000, 0.0003704800000000 ] - [ 0.0002041500000000, -0.0001505500000000, 0.0001242000000000 ] - [ -0.0003700000000000, -0.0000127500000000, -0.0001358000000000 ] - [ -0.0014096200000000, -0.0001997300000000, 0.0015255100000000 ] - [ -0.0003149800000000, 0.0000338500000000, 0.0006212200000000 ] - [ -0.0003987700000000, 0.0000778400000000, 0.0001244600000000 ] - [ 0.0002701500000000, -0.0001000800000000, -0.0006228600000000 ] - [ 0.0002408500000000, -0.0001794300000000, -0.0007395200000000 ] - [ -0.0009135500000000, 0.0009392100000000, 0.0002220300000000 ] - [ 0.0005661400000000, 0.0001073000000000, 0.0009046800000000 ] - [ 0.0017385400000000, 0.0057937700000000, -0.0009400300000000 ] - [ -0.0006384600000000, 0.0002469600000000, 0.0002749300000000 ] - [ 0.0001590800000000, -0.0003676500000000, -0.0000139900000000 ] - [ 0.0014705300000000, 0.0003016700000000, 0.0111699400000000 ] - [ 0.0001620400000000, 0.0001692700000000, -0.0004413700000000 ] - [ 0.0006852400000000, 0.0001680200000000, -0.0003700700000000 ] - [ -0.0000299600000000, 0.0004012000000000, -0.0012704400000000 ] - [ -0.0007994100000000, -0.0000788900000000, -0.0006272200000000 ] - [ -0.0003179700000000, -0.0000904500000000, 0.0008060100000000 ] - [ 0.0014408300000000, -0.0003473600000000, 0.0028646300000000 ] - [ 0.0016230000000000, 0.0015497000000000, -0.0006630200000000 ] - [ -0.0013587700000000, 0.0020710100000000, -0.0012329100000000 ] - [ -0.0008092200000000, 0.0000452800000000, -0.0001731900000000 ] - [ 0.0008226600000000, 0.0008780800000000, -0.0009454900000000 ] - [ -0.0016045200000000, 0.0006213300000000, 0.0021388600000000 ] - [ 0.0002865900000000, -0.0005701100000000, 0.0002414400000000 ] - [ -0.0004907200000000, -0.0003667300000000, 0.0004914500000000 ] - [ -0.0004565300000000, -0.0003791000000000, 0.0004314900000000 ] - [ -0.0118651800000000, 0.0020861300000000, -0.0014300000000000 ] - [ 0.0003438300000000, -0.0013187200000000, -0.0003978800000000 ] - [ -0.0001405800000000, 0.0002219800000000, -0.0004087900000000 ] - [ -0.0000353400000000, 0.0002562300000000, -0.0002948200000000 ] - [ 0.0030478500000000, -0.0002304500000000, 0.0037714200000000 ] - [ -0.0006233700000000, -0.0001356100000000, 0.0013651000000000 ] - [ 0.0015749100000000, -0.0041893500000000, -0.0019968500000000 ] - [ -0.0008109200000000, -0.0011504500000000, -0.0011972300000000 ] - [ 0.0003000900000000, 0.0006940100000000, -0.0005888400000000 ] - [ -0.0000267200000000, 0.0003496900000000, 0.0003085900000000 ] - [ 0.0399511400000000, -0.0838880400000000, -0.0312978600000000 ] - [ -0.0004560600000000, -0.0008148000000000, 0.0002677700000000 ] - [ 0.0004417700000000, 0.0003829400000000, -0.0005623000000000 ] - [ 0.0006944000000000, 0.0002145100000000, -0.0009727400000000 ] - [ 0.0001992300000000, -0.0002187100000000, -0.0003508600000000 ] - [ 0.0003088400000000, 0.0001043600000000, -0.0004651800000000 ] - [ -0.0002712600000000, -0.0006291300000000, 0.0003781500000000 ] - [ -0.0000842100000000, -0.0001620100000000, 0.0007852000000000 ] - [ -0.0000388400000000, -0.0004244500000000, -0.0004515800000000 ] - [ -0.0004448100000000, 0.0004723100000000, -0.0023642700000000 ] - [ 0.0000874100000000, 0.0005461200000000, 0.0002434700000000 ] - [ -0.0002040400000000, 0.0005365800000000, 0.0001907400000000 ] - [ 0.0008124800000000, -0.0002475000000000, -0.0002795400000000 ] - [ 0.0001368200000000, 0.0000785500000000, 0.0009476000000000 ] - [ -0.0012610600000000, 0.0312184900000000, 0.0005783600000000 ] - [ -0.0007660600000000, 0.0003082500000000, 0.0004224600000000 ] - [ 0.0002636500000000, -0.0002243900000000, -0.0004519600000000 ] - [ 0.0002779300000000, -0.0019078800000000, 0.0008700400000000 ] - [ 0.0000257300000000, 0.0000415300000000, 0.0003399700000000 ] - [ -0.0000038100000000, 0.0002205000000000, 0.0000373400000000 ] - [ -0.0001568600000000, 0.0005173800000000, 0.0003010600000000 ] - [ -0.0001822200000000, 0.0004758300000000, 0.0002212000000000 ] - [ -0.0001601500000000, 0.0004551700000000, -0.0001624400000000 ] - [ -0.0001721800000000, 0.0002998900000000, -0.0002735600000000 ] - [ -0.0002038400000000, 0.0003009900000000, 0.0004616600000000 ] - [ -0.0000207900000000, 0.0008886800000000, 0.0004951200000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013383400000000, -0.0049560900000000, -0.0015803000000000 ] - [ -0.0002794000000000, -0.0002845700000000, 0.0003708500000000 ] - [ -0.0001814100000000, 0.0005685100000000, -0.0002275700000000 ] - [ -0.0001637000000000, 0.0005921500000000, -0.0002930600000000 ] - [ -0.0019940000000000, 0.0027058700000000, 0.0002147900000000 ] - [ 0.0033407800000000, 0.0037328400000000, 0.0002695100000000 ] - [ 0.0002025500000000, -0.0004924900000000, -0.0004248300000000 ] - [ 0.0002324800000000, -0.0005497200000000, -0.0010299500000000 ] - [ 0.0008650600000000, 0.0028430600000000, 0.0014639500000000 ] - [ -0.0001628900000000, 0.0005704900000000, 0.0003121300000000 ] - [ 0.0019698900000000, -0.0022268100000000, -0.0004895400000000 ] - [ 0.0059199400000000, -0.0062034200000000, -0.0003453000000000 ] - [ -0.0003115100000000, -0.0004170200000000, -0.0000258300000000 ] - [ -0.0002303300000000, -0.0004448700000000, 0.0007991800000000 ] - [ -0.0002020800000000, 0.0003294500000000, 0.0009449700000000 ] - [ 0.0005254200000000, 0.0001772300000000, 0.0003411000000000 ] - [ 0.0011025200000000, -0.0006685400000000, 0.0007815900000000 ] - [ -0.0004048000000000, -0.0004839200000000, 0.0015199300000000 ] - [ 0.0195143000000000, -0.0436100300000000, -0.0214973700000000 ] - [ -0.0005631700000000, -0.0013861500000000, 0.0003709200000000 ] - [ -0.0003215000000000, 0.0002858800000000, -0.0007721200000000 ] - [ 0.0000159300000000, 0.0018108800000000, -0.0022665300000000 ] - [ 0.0000141500000000, 0.0006922400000000, 0.0002098300000000 ] - [ -0.0002051800000000, 0.0003257200000000, 0.0003105800000000 ] - [ -0.0009079500000000, 0.0000405800000000, -0.0003069900000000 ] - [ 0.0014012600000000, 0.0000212100000000, -0.0001175700000000 ] - [ -0.0001401600000000, -0.0000934900000000, 0.0002036100000000 ] - [ -0.0004590900000000, -0.0010447100000000, 0.0049466000000000 ] - [ -0.0001100600000000, 0.0000639000000000, 0.0003756100000000 ] - [ -0.0000118100000000, 0.0000795800000000, -0.0000709700000000 ] - [ 0.0035520000000000, 0.0023269900000000, -0.0023442700000000 ] - [ -0.0017806000000000, -0.0002450400000000, -0.0010549000000000 ] - [ 0.0003875800000000, 0.0000325400000000, -0.0001104800000000 ] - [ 0.0002512200000000, -0.0000277200000000, 0.0001329900000000 ] - [ -0.0000886200000000, 0.0001876200000000, -0.0001210100000000 ] - [ 0.0009456700000000, 0.0003747100000000, -0.0017683100000000 ] - [ -0.0005071400000000, 0.0002996900000000, -0.0006900100000000 ] - [ -0.0004233400000000, 0.0002580500000000, -0.0001930600000000 ] - [ -0.0000154400000000, 0.0000437400000000, -0.0010211100000000 ] - [ 0.0000157900000000, 0.0001218300000000, -0.0009056300000000 ] - [ 0.0006607800000000, -0.0009866000000000, 0.0014273900000000 ] - [ -0.0008244800000000, -0.0001613100000000, 0.0007442200000000 ] - [ -0.0012697200000000, -0.0055488100000000, 0.0011797500000000 ] - [ 0.0010884100000000, -0.0000723500000000, -0.0000168400000000 ] - [ 0.0006592800000000, 0.0000296000000000, 0.0000829000000000 ] - [ -0.0006467800000000, -0.0006005300000000, -0.0110803700000000 ] - [ 0.0006606700000000, 0.0001676300000000, 0.0005142900000000 ] - [ 0.0001357700000000, 0.0001695900000000, 0.0004469100000000 ] - [ -0.0007869400000000, -0.0007431000000000, 0.0011773100000000 ] - [ -0.0000260600000000, -0.0002606400000000, 0.0005524900000000 ] - [ 0.0000581200000000, 0.0001460900000000, 0.0008406000000000 ] - [ -0.0016822100000000, 0.0003960100000000, -0.0012035300000000 ] - [ -0.0013459100000000, -0.0014943800000000, -0.0009820100000000 ] - [ 0.0016077300000000, -0.0020166700000000, -0.0004143700000000 ] - [ 0.0003544600000000, -0.0002221700000000, -0.0000831900000000 ] - [ -0.0012828400000000, -0.0010488800000000, 0.0006960000000000 ] - [ 0.0016607500000000, -0.0014097300000000, -0.0016674000000000 ] - [ -0.0002372800000000, -0.0002274700000000, 0.0002346400000000 ] - [ -0.0004800500000000, -0.0004098900000000, 0.0003567700000000 ] - [ -0.0005135400000000, -0.0003984300000000, 0.0004158900000000 ] - [ 0.0117810100000000, -0.0022272700000000, 0.0006619400000000 ] - [ -0.0004683400000000, 0.0011281800000000, -0.0003688300000000 ] - [ 0.0000094600000000, -0.0000329900000000, -0.0003586200000000 ] - [ -0.0000952300000000, -0.0000667700000000, -0.0004723800000000 ] - [ -0.0029073500000000, 0.0003961100000000, -0.0029943800000000 ] - [ 0.0007533500000000, 0.0003198600000000, -0.0005890100000000 ] - [ -0.0018299000000000, 0.0038956400000000, 0.0013652400000000 ] - [ 0.0006588400000000, 0.0008857400000000, 0.0004554100000000 ] - [ -0.0002486200000000, 0.0001038900000000, 0.0010650800000000 ] - [ 0.0000778200000000, 0.0004469300000000, 0.0001704600000000 ] - [ -0.0415774100000000, 0.0853642900000000, 0.0333309500000000 ] - [ 0.0000597800000000, 0.0000889600000000, 0.0002593400000000 ] - [ 0.0005271700000000, 0.0003921200000000, -0.0002845200000000 ] - [ 0.0002787100000000, 0.0005556400000000, 0.0001220000000000 ] - [ 0.0001962200000000, -0.0005053200000000, -0.0001764200000000 ] - [ 0.0000877500000000, -0.0008260200000000, -0.0000662300000000 ] - [ 0.0004201400000000, 0.0008829600000000, 0.0003575200000000 ] - [ 0.0002373900000000, 0.0004166000000000, -0.0000500700000000 ] - [ -0.0000165900000000, -0.0003805300000000, -0.0000264600000000 ] - [ 0.0003873200000000, -0.0012728100000000, 0.0018723300000000 ] - [ -0.0001367200000000, 0.0002496900000000, -0.0007203700000000 ] - [ 0.0001525700000000, 0.0002607100000000, -0.0006655500000000 ] - [ 0.0001580600000000, -0.0005334900000000, -0.0005649200000000 ] - [ 0.0008283000000000, -0.0008620800000000, -0.0017808900000000 ] - [ 0.0003370500000000, -0.0312276700000000, 0.0002513300000000 ] - [ -0.0002047800000000, 0.0004704000000000, 0.0004227400000000 ] - [ 0.0001283400000000, 0.0009445900000000, -0.0000765900000000 ] - [ 0.0001470000000000, 0.0026103800000000, -0.0014348400000000 ] - [ 0.0001042700000000, -0.0002336500000000, 0.0004280100000000 ] - [ 0.0001336600000000, -0.0004107300000000, 0.0007274000000000 ] - [ -0.0002387900000000, 0.0002051900000000, 0.0002264700000000 ] - [ -0.0002136600000000, 0.0002466000000000, 0.0003056200000000 ] - [ 0.0000101600000000, -0.0001978000000000, -0.0005695800000000 ] - [ 0.0000221100000000, -0.0000430500000000, -0.0004608900000000 ] - [ 0.0003539300000000, -0.0005593500000000, 0.0002724900000000 ] - [ 0.0001661700000000, -0.0011431200000000, 0.0002333800000000 ]- atom: 71 displacement: [ -0.0026376277068796, 0.0000000000000000, 0.0096458758067840 ] forces: - [ -0.0024721700000000, 0.0030424700000000, 0.0017152000000000 ] - [ 0.0012508000000000, 0.0007639900000000, 0.0004460400000000 ] - [ -0.0002366200000000, 0.0003207400000000, -0.0014476300000000 ] - [ -0.0000621100000000, 0.0003207200000000, -0.0016613700000000 ] - [ 0.0005553600000000, -0.0006622300000000, 0.0016555600000000 ] - [ -0.0008044200000000, 0.0003246100000000, 0.0022739000000000 ] - [ 0.0016577600000000, 0.0016854500000000, -0.0037876900000000 ] - [ -0.0009184200000000, 0.0009424400000000, -0.0004536500000000 ] - [ -0.0004577600000000, -0.0018991200000000, -0.0002267300000000 ] - [ 0.0008123900000000, -0.0004406100000000, -0.0001139600000000 ] - [ 0.0015400900000000, 0.0010665000000000, 0.0036056300000000 ] - [ -0.0039539900000000, 0.0003704300000000, 0.0045726300000000 ] - [ -0.0004890700000000, -0.0001297500000000, -0.0015726200000000 ] - [ -0.0000294500000000, 0.0000385700000000, -0.0024458400000000 ] - [ 0.0011205100000000, -0.0014171100000000, -0.0010152700000000 ] - [ -0.0007993600000000, -0.0011946000000000, -0.0001110800000000 ] - [ -0.0024353700000000, -0.0002601800000000, -0.0018031500000000 ] - [ 0.0026723300000000, -0.0025324700000000, -0.0041690500000000 ] - [ -0.0227867600000000, 0.0227872400000000, 0.0400357800000000 ] - [ 0.0010141900000000, 0.0001489100000000, 0.0022450500000000 ] - [ 0.0010517300000000, 0.0002554300000000, -0.0003538300000000 ] - [ -0.0004081600000000, 0.0005169900000000, -0.0002807800000000 ] - [ 0.0004727900000000, 0.0006039100000000, -0.0016877100000000 ] - [ -0.0003952400000000, 0.0000495600000000, -0.0008657300000000 ] - [ -0.0010447900000000, 0.0000015800000000, -0.0003290900000000 ] - [ 0.0013647000000000, 0.0001947400000000, -0.0007871800000000 ] - [ 0.0009198000000000, -0.0001151700000000, 0.0002592600000000 ] - [ 0.0006000500000000, 0.0023853800000000, -0.0100782100000000 ] - [ 0.0004103700000000, 0.0001988900000000, -0.0034371500000000 ] - [ -0.0006546900000000, 0.0001019800000000, -0.0016754800000000 ] - [ -0.0017833900000000, 0.0005487500000000, 0.0035975200000000 ] - [ 0.0014113500000000, 0.0000529000000000, 0.0013506600000000 ] - [ -0.0005873900000000, -0.0002596500000000, 0.0017052700000000 ] - [ 0.0003604800000000, -0.0000863000000000, 0.0007037400000000 ] - [ -0.0005007500000000, 0.0000483200000000, 0.0001660700000000 ] - [ -0.0022412200000000, -0.0000334800000000, 0.0032633400000000 ] - [ -0.0003159700000000, 0.0005176800000000, 0.0028188700000000 ] - [ -0.0000888100000000, 0.0002127500000000, 0.0010373000000000 ] - [ 0.0003525900000000, -0.0000738500000000, 0.0004808600000000 ] - [ 0.0006953900000000, -0.0002617800000000, -0.0000122500000000 ] - [ 0.0011831900000000, -0.0007528300000000, 0.0006735400000000 ] - [ -0.0006537600000000, -0.0001218000000000, 0.0007399700000000 ] - [ 0.0017286300000000, 0.0011629300000000, -0.0018535800000000 ] - [ -0.0005124200000000, -0.0000479400000000, -0.0002267700000000 ] - [ -0.0001444600000000, -0.0000844800000000, -0.0001931700000000 ] - [ 0.0031595300000000, 0.0074785000000000, 0.0187218800000000 ] - [ 0.0007212900000000, 0.0001256700000000, 0.0005177700000000 ] - [ 0.0002431900000000, 0.0001049900000000, 0.0008287200000000 ] - [ -0.0001519100000000, -0.0009304200000000, -0.0022469500000000 ] - [ -0.0008361500000000, -0.0002471800000000, -0.0011539600000000 ] - [ -0.0008778100000000, 0.0002421400000000, 0.0011668400000000 ] - [ 0.0031102300000000, -0.0008270300000000, 0.0048031800000000 ] - [ 0.0005047100000000, -0.0000234800000000, -0.0019038500000000 ] - [ -0.0013202200000000, 0.0010495500000000, -0.0016614800000000 ] - [ 0.0001774800000000, -0.0000045200000000, -0.0003953200000000 ] - [ -0.0012496700000000, -0.0009538800000000, 0.0001381200000000 ] - [ -0.0012096000000000, 0.0017962500000000, 0.0002314200000000 ] - [ 0.0002085900000000, -0.0004525000000000, -0.0004440600000000 ] - [ -0.0009000500000000, -0.0002015500000000, 0.0014003700000000 ] - [ -0.0002820400000000, -0.0003428800000000, 0.0009450200000000 ] - [ -0.0029514600000000, 0.0022252100000000, -0.0053681200000000 ] - [ -0.0012345900000000, -0.0007585900000000, -0.0014662000000000 ] - [ -0.0001028200000000, 0.0000277300000000, 0.0003277500000000 ] - [ 0.0000863200000000, 0.0002913700000000, 0.0002240300000000 ] - [ 0.0046920900000000, 0.0021943800000000, 0.0031695500000000 ] - [ -0.0010925900000000, 0.0004949200000000, 0.0004115900000000 ] - [ -0.0167262100000000, -0.0020222900000000, 0.0135173500000000 ] - [ -0.0002274200000000, -0.0004779200000000, -0.0014755700000000 ] - [ -0.0004446200000000, -0.0002989800000000, 0.0022761800000000 ] - [ 0.0000349900000000, 0.0003522000000000, 0.0007642600000000 ] - [ 0.0446959000000000, -0.0411917100000000, -0.0736428600000000 ] - [ -0.0007978400000000, -0.0002905000000000, -0.0002279700000000 ] - [ 0.0004000300000000, 0.0002845100000000, -0.0002312000000000 ] - [ 0.0007650500000000, -0.0002098600000000, 0.0000389000000000 ] - [ 0.0002131300000000, -0.0002783300000000, -0.0001642500000000 ] - [ 0.0002638600000000, -0.0001420000000000, -0.0000338900000000 ] - [ 0.0008935400000000, 0.0004070300000000, 0.0015249900000000 ] - [ -0.0009392900000000, -0.0001612400000000, 0.0017928500000000 ] - [ -0.0009633400000000, -0.0012170400000000, -0.0002476000000000 ] - [ 0.0009314300000000, -0.0009519200000000, -0.0007741900000000 ] - [ 0.0001876400000000, 0.0007798000000000, 0.0005467800000000 ] - [ -0.0003737500000000, 0.0006788300000000, 0.0004512800000000 ] - [ 0.0010396800000000, -0.0001416600000000, -0.0007041900000000 ] - [ 0.0000783900000000, 0.0008171100000000, 0.0001160200000000 ] - [ 0.0012122000000000, 0.0018736000000000, -0.0052468400000000 ] - [ -0.0008911500000000, 0.0003032500000000, -0.0000520700000000 ] - [ 0.0006587500000000, 0.0001626400000000, -0.0006645800000000 ] - [ -0.0066540800000000, 0.0014597300000000, 0.0080556900000000 ] - [ -0.0002227200000000, -0.0002791200000000, 0.0007355300000000 ] - [ 0.0002509600000000, -0.0001500800000000, 0.0006606200000000 ] - [ -0.0003362400000000, 0.0003378600000000, 0.0008907100000000 ] - [ -0.0000902900000000, 0.0004080300000000, 0.0006569900000000 ] - [ -0.0000554800000000, 0.0000731900000000, 0.0001902200000000 ] - [ -0.0000686400000000, 0.0001916600000000, 0.0000603300000000 ] - [ -0.0002691000000000, -0.0000040500000000, 0.0002101400000000 ] - [ 0.0003421400000000, 0.0001080600000000, -0.0000271200000000 ]- atom: 71 displacement: [ 0.0026376277068796, 0.0000000000000000, -0.0096458758067840 ] forces: - [ 0.0028656400000000, -0.0024121800000000, -0.0008094500000000 ] - [ -0.0009053200000000, -0.0000005900000000, 0.0001870900000000 ] - [ -0.0001038000000000, 0.0004399100000000, 0.0008217600000000 ] - [ -0.0002736400000000, 0.0004393700000000, 0.0010352100000000 ] - [ -0.0010123500000000, 0.0010085200000000, -0.0013863100000000 ] - [ 0.0003109500000000, 0.0000249000000000, -0.0019990200000000 ] - [ -0.0011884200000000, -0.0013368500000000, 0.0035243100000000 ] - [ 0.0013910400000000, -0.0005898600000000, 0.0001724800000000 ] - [ 0.0009259700000000, 0.0015353400000000, -0.0000267800000000 ] - [ -0.0003395100000000, 0.0000840900000000, -0.0001481600000000 ] - [ -0.0018539500000000, -0.0018190300000000, -0.0042378000000000 ] - [ 0.0036142000000000, -0.0011262900000000, -0.0052070700000000 ] - [ 0.0000144600000000, -0.0002261900000000, 0.0018348100000000 ] - [ -0.0004374200000000, -0.0003936300000000, 0.0027149900000000 ] - [ -0.0007822200000000, 0.0006603300000000, 0.0016300600000000 ] - [ 0.0011405900000000, 0.0004371700000000, 0.0007269400000000 ] - [ 0.0025166200000000, 0.0005167600000000, 0.0010676800000000 ] - [ -0.0025576300000000, 0.0027612100000000, 0.0034156300000000 ] - [ 0.0241755900000000, -0.0251732100000000, -0.0407473600000000 ] - [ -0.0011106100000000, -0.0004117400000000, -0.0015100800000000 ] - [ -0.0009654400000000, -0.0005192200000000, -0.0003958500000000 ] - [ 0.0004989900000000, -0.0007756500000000, -0.0004806300000000 ] - [ -0.0005570600000000, -0.0003345800000000, 0.0024238400000000 ] - [ 0.0003069700000000, 0.0002129700000000, 0.0016068200000000 ] - [ 0.0012337300000000, 0.0001559200000000, 0.0008501700000000 ] - [ -0.0011628100000000, -0.0000348300000000, 0.0013098500000000 ] - [ -0.0007292800000000, -0.0000418100000000, 0.0002476200000000 ] - [ -0.0004149000000000, -0.0025670200000000, 0.0106144700000000 ] - [ -0.0006051600000000, -0.0000401600000000, 0.0029089700000000 ] - [ 0.0004605100000000, 0.0000559400000000, 0.0011583600000000 ] - [ 0.0016069200000000, -0.0006981100000000, -0.0041343600000000 ] - [ -0.0016157900000000, -0.0002120800000000, -0.0018765500000000 ] - [ 0.0010382000000000, 0.0000841300000000, -0.0014438700000000 ] - [ 0.0000942500000000, -0.0000894500000000, -0.0004448300000000 ] - [ 0.0000482000000000, 0.0001284300000000, -0.0004208000000000 ] - [ 0.0017952800000000, 0.0002111200000000, -0.0035274100000000 ] - [ -0.0005055400000000, -0.0001752700000000, -0.0028783100000000 ] - [ -0.0007332300000000, 0.0001257000000000, -0.0011084000000000 ] - [ -0.0000892500000000, 0.0000190300000000, -0.0021220500000000 ] - [ -0.0004371800000000, 0.0002082100000000, -0.0016322300000000 ] - [ -0.0014338700000000, 0.0006889400000000, 0.0009618100000000 ] - [ 0.0003905800000000, 0.0000662200000000, 0.0008974200000000 ] - [ -0.0012820800000000, -0.0010008800000000, 0.0021114700000000 ] - [ 0.0009679000000000, 0.0002255100000000, 0.0004834300000000 ] - [ 0.0009713700000000, -0.0002540700000000, 0.0002696700000000 ] - [ -0.0024013000000000, -0.0079794700000000, -0.0188675400000000 ] - [ 0.0001033100000000, 0.0002111300000000, -0.0004527100000000 ] - [ 0.0005787500000000, 0.0002311300000000, -0.0007650900000000 ] - [ -0.0006719300000000, 0.0005936500000000, 0.0021875800000000 ] - [ 0.0000162600000000, -0.0000899700000000, 0.0010901400000000 ] - [ 0.0006254400000000, -0.0001891800000000, 0.0004814400000000 ] - [ -0.0033855600000000, 0.0008931500000000, -0.0031743600000000 ] - [ -0.0002509100000000, 0.0000767500000000, 0.0002572500000000 ] - [ 0.0015913900000000, -0.0010014800000000, 0.0000196300000000 ] - [ -0.0006251800000000, -0.0001705400000000, 0.0001306400000000 ] - [ 0.0007955900000000, 0.0007702800000000, -0.0004050400000000 ] - [ 0.0012625200000000, -0.0026022100000000, 0.0002597500000000 ] - [ -0.0001556200000000, -0.0003450700000000, 0.0009267600000000 ] - [ -0.0000693300000000, -0.0005767400000000, -0.0005521900000000 ] - [ -0.0006863900000000, -0.0004350900000000, -0.0000979600000000 ] - [ 0.0027101000000000, -0.0023607600000000, 0.0046105000000000 ] - [ 0.0011140400000000, 0.0005721600000000, 0.0006958900000000 ] - [ -0.0000241200000000, 0.0001591500000000, -0.0010899500000000 ] - [ -0.0002149600000000, -0.0001041800000000, -0.0009889500000000 ] - [ -0.0045157600000000, -0.0019815700000000, -0.0023952800000000 ] - [ 0.0012148800000000, -0.0003001100000000, 0.0003398100000000 ] - [ 0.0169354300000000, 0.0017975200000000, -0.0145116900000000 ] - [ 0.0000825300000000, 0.0002212000000000, 0.0007448800000000 ] - [ 0.0004905000000000, 0.0010876000000000, -0.0017834000000000 ] - [ 0.0000151700000000, 0.0004418500000000, -0.0002881200000000 ] - [ -0.0467737500000000, 0.0426451600000000, 0.0756946700000000 ] - [ 0.0004051700000000, -0.0004332800000000, 0.0007558100000000 ] - [ 0.0005709200000000, 0.0004937400000000, -0.0006146300000000 ] - [ 0.0002013700000000, 0.0009913300000000, -0.0008823000000000 ] - [ 0.0001825700000000, -0.0004468600000000, -0.0003609400000000 ] - [ 0.0001306500000000, -0.0005849700000000, -0.0004896700000000 ] - [ -0.0007355600000000, -0.0001426000000000, -0.0007868700000000 ] - [ 0.0010789400000000, 0.0004178500000000, -0.0010513800000000 ] - [ 0.0009175500000000, 0.0004281400000000, -0.0002274600000000 ] - [ -0.0009821600000000, 0.0001566200000000, 0.0003062800000000 ] - [ -0.0002376600000000, 0.0000199600000000, -0.0010265600000000 ] - [ 0.0003208800000000, 0.0001214900000000, -0.0009311600000000 ] - [ -0.0000657700000000, -0.0006330000000000, -0.0001460800000000 ] - [ 0.0008895400000000, -0.0015828900000000, -0.0009699600000000 ] - [ -0.0021831000000000, -0.0009142800000000, 0.0060879600000000 ] - [ -0.0000797100000000, 0.0004736000000000, 0.0008981000000000 ] - [ -0.0002633100000000, 0.0005594500000000, 0.0001294400000000 ] - [ 0.0068923200000000, -0.0007303600000000, -0.0084108200000000 ] - [ 0.0003532900000000, 0.0000924600000000, 0.0000299100000000 ] - [ -0.0001215200000000, -0.0000385100000000, 0.0001069600000000 ] - [ -0.0000587300000000, 0.0003864800000000, -0.0003633700000000 ] - [ -0.0003038900000000, 0.0003167300000000, -0.0001299200000000 ] - [ -0.0000932500000000, 0.0001844700000000, -0.0009277600000000 ] - [ -0.0000806000000000, 0.0000675800000000, -0.0007979100000000 ] - [ 0.0004196000000000, -0.0002546400000000, 0.0005293900000000 ] - [ -0.0001901400000000, -0.0003698500000000, 0.0007686900000000 ]