# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0225d412-22db-4455-97c9-85d90558c6ca/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 CdPdF6 / R-3 (148) / materials id 13984](https://mdr.nims.go.jp/datasets/61294046-f4bf-43c2-b577-b7287f8158ae) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.557154566666669, 1.476373893333332, 4.798798079999995 ] # a - [ -2.557154583333331, 1.476373873333332, 4.798798079999995 ] # b - [ 0.000000016666669, -2.952747766666668, 4.798798079999995 ] # c points: - symbol: F # 1 coordinates: [ 0.779603620000000, 0.388678700000000, 0.065205220000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.388678690000000, 0.065205230000000, 0.779603620000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.934794780000000, 0.220396370000001, 0.611321300000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.611321300000000, 0.934794770000001, 0.220396380000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.220396380000000, 0.611321290000001, 0.934794780000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.065205220000000, 0.779603630000000, 0.388678690000000 ] mass: 18.998403 - symbol: Pd # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 - symbol: Cd # 8 coordinates: [ 0.500000000000000, 0.500000010000001, 0.500000000000000 ] mass: 112.411000 reciprocal_lattice: # without 2pi - [ 0.195529829819188, 0.112889201155323, 0.069461837688602 ] # a* - [ -0.195529830702116, 0.112889198948002, 0.069461837688602 ] # b* - [ 0.000000000882928, -0.225778400103325, 0.069461837688602 ] # c*unit_cell: lattice: - [ 5.114309150000000, 0.000000020000000, 0.000000000000000 ] # a - [ -2.557154600000000, 4.429121640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.396394239999999 ] # c points: - symbol: F # 1 coordinates: [ 0.701774440000000, 0.012623960000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.310849510000000, 0.298225560000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.679290630000000, 0.644182850000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.355817150000000, 0.035107770000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.964892230000000, 0.320709370000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.987376040000000, 0.689150490000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.368441100000000, 0.345957290000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 8 coordinates: [ 0.977516180000000, 0.631558900000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 9 coordinates: [ 0.345957290000000, 0.977516180000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 10 coordinates: [ 0.022483820000000, 0.368441100000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 11 coordinates: [ 0.631558900000000, 0.654042710000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 12 coordinates: [ 0.654042710000000, 0.022483820000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 13 coordinates: [ 0.035107770000000, 0.679290630000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 14 coordinates: [ 0.644182850000000, 0.964892230000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 15 coordinates: [ 0.012623960000000, 0.310849510000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 16 coordinates: [ 0.689150490000000, 0.701774440000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 17 coordinates: [ 0.298225560000000, 0.987376040000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 18 coordinates: [ 0.320709370000000, 0.355817150000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 6 - symbol: Pd # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 19 - symbol: Pd # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333333330000000 ] mass: 106.420000 reduced_to: 19 - symbol: Pd # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666670000000 ] mass: 106.420000 reduced_to: 19 - symbol: Cd # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.166666670000000 ] mass: 112.411000 reduced_to: 22 - symbol: Cd # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 22 - symbol: Cd # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.833333330000000 ] mass: 112.411000 reduced_to: 22supercell: lattice: - [ 10.228618300000001, 0.000000040000000, 0.000000000000000 ] # a - [ -5.114309200000000, 8.858243280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.396394239999999 ] # c points: - symbol: F # 1 coordinates: [ 0.350887220000000, 0.006311980000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.850887220000000, 0.006311980000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.350887220000000, 0.506311980000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 4 coordinates: [ 0.850887220000000, 0.506311980000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 5 coordinates: [ 0.155424755000000, 0.149112780000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.655424755000000, 0.149112780000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.155424755000000, 0.649112780000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 8 coordinates: [ 0.655424755000000, 0.649112780000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 9 coordinates: [ 0.339645315000000, 0.322091425000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.839645315000000, 0.322091425000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.339645315000000, 0.822091425000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 12 coordinates: [ 0.839645315000000, 0.822091425000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 13 coordinates: [ 0.177908575000000, 0.017553885000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.677908575000000, 0.017553885000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.177908575000000, 0.517553885000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 16 coordinates: [ 0.677908575000000, 0.517553885000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 17 coordinates: [ 0.482446115000000, 0.160354685000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.982446115000000, 0.160354685000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.482446115000000, 0.660354685000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 20 coordinates: [ 0.982446115000000, 0.660354685000000, 0.255504150000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 21 coordinates: [ 0.493688020000000, 0.344575245000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.993688020000000, 0.344575245000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.493688020000000, 0.844575245000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 24 coordinates: [ 0.993688020000000, 0.844575245000000, 0.077829180000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 25 coordinates: [ 0.184220550000000, 0.172978645000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 26 coordinates: [ 0.684220550000000, 0.172978645000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 27 coordinates: [ 0.184220550000000, 0.672978645000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 28 coordinates: [ 0.684220550000000, 0.672978645000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 29 coordinates: [ 0.488758090000000, 0.315779450000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 30 coordinates: [ 0.988758090000000, 0.315779450000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 31 coordinates: [ 0.488758090000000, 0.815779450000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 32 coordinates: [ 0.988758090000000, 0.815779450000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 33 coordinates: [ 0.172978645000000, 0.488758090000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 34 coordinates: [ 0.672978645000000, 0.488758090000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 35 coordinates: [ 0.172978645000000, 0.988758090000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 36 coordinates: [ 0.672978645000000, 0.988758090000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 37 coordinates: [ 0.011241910000000, 0.184220550000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 38 coordinates: [ 0.511241910000000, 0.184220550000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 39 coordinates: [ 0.011241910000000, 0.684220550000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 40 coordinates: [ 0.511241910000000, 0.684220550000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 41 coordinates: [ 0.315779450000000, 0.327021355000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 42 coordinates: [ 0.815779450000000, 0.327021355000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 43 coordinates: [ 0.315779450000000, 0.827021355000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 44 coordinates: [ 0.815779450000000, 0.827021355000000, 0.588837490000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 45 coordinates: [ 0.327021355000000, 0.011241910000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 46 coordinates: [ 0.827021355000000, 0.011241910000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 47 coordinates: [ 0.327021355000000, 0.511241910000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 48 coordinates: [ 0.827021355000000, 0.511241910000000, 0.411162510000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 49 coordinates: [ 0.017553885000000, 0.339645315000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 50 coordinates: [ 0.517553885000000, 0.339645315000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 51 coordinates: [ 0.017553885000000, 0.839645315000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 52 coordinates: [ 0.517553885000000, 0.839645315000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 53 coordinates: [ 0.322091425000000, 0.482446115000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 54 coordinates: [ 0.822091425000000, 0.482446115000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 55 coordinates: [ 0.322091425000000, 0.982446115000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 56 coordinates: [ 0.822091425000000, 0.982446115000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 57 coordinates: [ 0.006311980000000, 0.155424755000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 58 coordinates: [ 0.506311980000000, 0.155424755000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 59 coordinates: [ 0.006311980000000, 0.655424755000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 60 coordinates: [ 0.506311980000000, 0.655424755000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 61 coordinates: [ 0.344575245000000, 0.350887220000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 62 coordinates: [ 0.844575245000000, 0.350887220000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 63 coordinates: [ 0.344575245000000, 0.850887220000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 64 coordinates: [ 0.844575245000000, 0.850887220000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 65 coordinates: [ 0.149112780000000, 0.493688020000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 66 coordinates: [ 0.649112780000000, 0.493688020000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 67 coordinates: [ 0.149112780000000, 0.993688020000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 68 coordinates: [ 0.649112780000000, 0.993688020000000, 0.922170820000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 69 coordinates: [ 0.160354685000000, 0.177908575000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 70 coordinates: [ 0.660354685000000, 0.177908575000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 71 coordinates: [ 0.160354685000000, 0.677908575000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 72 coordinates: [ 0.660354685000000, 0.677908575000000, 0.744495850000000 ] mass: 18.998403 reduced_to: 21 - symbol: Pd # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.333333330000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.333333330000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.333333330000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.333333330000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 81 coordinates: [ 0.166666665000000, 0.333333335000000, 0.666666670000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 82 coordinates: [ 0.666666665000000, 0.333333335000000, 0.666666670000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 83 coordinates: [ 0.166666665000000, 0.833333335000000, 0.666666670000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 84 coordinates: [ 0.666666665000000, 0.833333335000000, 0.666666670000000 ] mass: 106.420000 reduced_to: 73 - symbol: Cd # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.166666670000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.166666670000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.166666670000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.166666670000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 91 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 92 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 93 coordinates: [ 0.333333335000000, 0.166666665000000, 0.833333330000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 94 coordinates: [ 0.833333335000000, 0.166666665000000, 0.833333330000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 95 coordinates: [ 0.333333335000000, 0.666666665000000, 0.833333330000000 ] mass: 112.411000 reduced_to: 85 - symbol: Cd # 96 coordinates: [ 0.833333335000000, 0.666666665000000, 0.833333330000000 ] mass: 112.411000 reduced_to: 85born_effective_charge:- # 1 (F) - [ -1.294832010000000, -0.159906300000000, 0.735712600000000 ] - [ -0.221438340000000, -0.516671520000000, 0.207216900000000 ] - [ 0.737501910000000, 0.140524510000000, -0.965228670000000 ]- # 2 (F) - [ -0.546084569641692, -0.210851197536267, -0.188401201477849 ] - [ -0.272383234864067, -1.265418960358308, -0.740754250699467 ] - [ -0.247053158468705, -0.708957645085386, -0.965228670000000 ]- # 3 (F) - [ -0.876338715518341, 0.463055556006312, -0.547311398522150 ] - [ 0.401523516531259, -0.935164814481660, 0.533537350699467 ] - [ -0.490448751531295, 0.568433135085386, -0.965228669999999 ]- # 4 (F) - [ -0.546084569641692, -0.210851197536267, -0.188401201477849 ] - [ -0.272383234864067, -1.265418960358308, -0.740754250699467 ] - [ -0.247053158468705, -0.708957645085386, -0.965228670000000 ]- # 5 (F) - [ -1.294832010000000, -0.159906300000000, 0.735712600000000 ] - [ -0.221438340000000, -0.516671520000000, 0.207216900000000 ] - [ 0.737501910000000, 0.140524510000000, -0.965228670000000 ]- # 6 (F) - [ -0.876338715518341, 0.463055556006312, -0.547311398522150 ] - [ 0.401523516531259, -0.935164814481660, 0.533537350699467 ] - [ -0.490448751531295, 0.568433135085386, -0.965228669999999 ]- # 7 (Pd) - [ 2.802555530000000, -0.540940230000000, -0.000000000000000 ] - [ 0.540940230000000, 2.802555530000000, 0.000000000000000 ] - [ -0.000000000000000, -0.000000000000000, 2.825802190000000 ]- # 8 (Cd) - [ 2.631955060000000, 0.356344100000000, 0.000000000000000 ] - [ -0.356344100000000, 2.631955060000000, -0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.965569810000000 ]dielectric_constant: - [ 3.382545350000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.382545350000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.614365700000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000391060, 0.0000000000000000 ] forces: - [ -0.1358941900000000, -0.0033812900000000, 0.0831302100000000 ] - [ 0.0013348400000000, 0.0002828000000000, 0.0000879300000000 ] - [ -0.0000884300000000, -0.0000951800000000, 0.0004708200000000 ] - [ 0.0002066300000000, 0.0005476000000000, 0.0002395400000000 ] - [ 0.0023589000000000, -0.0009014700000000, 0.0006488900000000 ] - [ 0.0026224300000000, 0.0009704800000000, -0.0007772400000000 ] - [ 0.0000753000000000, 0.0033502300000000, 0.0023042700000000 ] - [ 0.0002682600000000, -0.0003262900000000, 0.0002954500000000 ] - [ 0.0002873100000000, -0.0001868900000000, -0.0002975500000000 ] - [ 0.0003398200000000, -0.0000063100000000, -0.0000057500000000 ] - [ -0.0015676100000000, 0.0011960800000000, -0.0018214500000000 ] - [ 0.0004557000000000, 0.0000201900000000, -0.0002155900000000 ] - [ 0.0010206600000000, -0.0026670300000000, -0.0043211800000000 ] - [ 0.0000412000000000, 0.0003305500000000, 0.0000750300000000 ] - [ -0.0001196200000000, 0.0002691100000000, -0.0001963000000000 ] - [ -0.0000694100000000, 0.0002876400000000, -0.0001006500000000 ] - [ -0.0011347200000000, -0.0006050500000000, -0.0000467500000000 ] - [ 0.0001619700000000, -0.0001468300000000, -0.0003460000000000 ] - [ -0.0003081600000000, -0.0003470200000000, 0.0000571300000000 ] - [ -0.0001576600000000, -0.0003709000000000, -0.0001221500000000 ] - [ -0.0002810900000000, -0.0006335100000000, 0.0006172500000000 ] - [ -0.0000256500000000, 0.0001542000000000, 0.0003480500000000 ] - [ 0.0023752400000000, -0.0011059100000000, -0.0004269200000000 ] - [ 0.0050797500000000, -0.0004348700000000, 0.0028622300000000 ] - [ 0.0002738500000000, 0.0002199500000000, -0.0000862800000000 ] - [ 0.0002345500000000, 0.0001992300000000, 0.0000185500000000 ] - [ 0.0002028500000000, 0.0002694200000000, 0.0000347700000000 ] - [ 0.0005543400000000, 0.0001779000000000, -0.0001959900000000 ] - [ -0.0003977000000000, -0.0011257400000000, -0.0006139700000000 ] - [ 0.0001381900000000, -0.0001758800000000, 0.0001493800000000 ] - [ -0.0000131600000000, -0.0003757100000000, -0.0000283600000000 ] - [ 0.0001583300000000, -0.0002595500000000, -0.0000427600000000 ] - [ 0.0002125400000000, -0.0000142000000000, -0.0003128100000000 ] - [ -0.0000480000000000, 0.0003456600000000, -0.0006757700000000 ] - [ 0.0001836200000000, 0.0000661300000000, -0.0003779900000000 ] - [ 0.0001178800000000, 0.0000156700000000, -0.0004384200000000 ] - [ -0.0000630900000000, 0.0001697700000000, -0.0003693600000000 ] - [ -0.0001474100000000, 0.0001279200000000, -0.0004122100000000 ] - [ -0.0001105000000000, 0.0001145600000000, -0.0003664900000000 ] - [ -0.0002844700000000, -0.0002048800000000, -0.0006239200000000 ] - [ 0.0000517300000000, -0.0001862600000000, -0.0004672300000000 ] - [ -0.0000168400000000, -0.0001278700000000, -0.0003904800000000 ] - [ -0.0001730400000000, -0.0001643700000000, -0.0003433300000000 ] - [ 0.0002320400000000, -0.0001160800000000, -0.0005691400000000 ] - [ -0.0004778500000000, 0.0001825400000000, -0.0001773000000000 ] - [ -0.0002080800000000, 0.0000300100000000, 0.0001034200000000 ] - [ -0.0004452800000000, 0.0004806000000000, -0.0002847900000000 ] - [ -0.0003934900000000, 0.0001814700000000, -0.0000245900000000 ] - [ 0.0005598400000000, 0.0002800400000000, -0.0000702200000000 ] - [ 0.0002055100000000, 0.0002333000000000, 0.0000520500000000 ] - [ 0.0002345800000000, 0.0001998400000000, 0.0002321500000000 ] - [ 0.0002748100000000, -0.0001891000000000, -0.0004627700000000 ] - [ 0.0000136600000000, -0.0004158300000000, 0.0000694800000000 ] - [ 0.0000537700000000, -0.0001828200000000, 0.0001780600000000 ] - [ -0.0001513500000000, -0.0003757100000000, 0.0000278500000000 ] - [ 0.0003977900000000, -0.0009709600000000, -0.0008746900000000 ] - [ 0.0020971900000000, -0.0011106100000000, 0.0013049700000000 ] - [ -0.0025905000000000, 0.0005885400000000, 0.0001860800000000 ] - [ 0.0002498500000000, -0.0000035200000000, 0.0001076000000000 ] - [ 0.0006695100000000, -0.0007769600000000, 0.0002609000000000 ] - [ -0.0001786800000000, 0.0002549300000000, 0.0000421000000000 ] - [ 0.0005580900000000, 0.0020023800000000, 0.0009834800000000 ] - [ -0.0026662200000000, -0.0005472200000000, 0.0007675700000000 ] - [ 0.0008278500000000, 0.0006832200000000, 0.0005240700000000 ] - [ -0.0004120900000000, -0.0003061700000000, 0.0000867900000000 ] - [ -0.0002873600000000, -0.0000869600000000, -0.0000198400000000 ] - [ 0.0013916600000000, -0.0004223500000000, 0.0016441200000000 ] - [ 0.0067805300000000, 0.0017351100000000, -0.0123818100000000 ] - [ -0.0001880100000000, 0.0000663900000000, 0.0002198600000000 ] - [ -0.0008769100000000, 0.0008612100000000, -0.0007216000000000 ] - [ -0.0004259500000000, 0.0001428100000000, 0.0000118100000000 ] - [ -0.0001283300000000, 0.0000167900000000, 0.0001644200000000 ] - [ -0.0050985400000000, 0.0015878400000000, -0.0031999400000000 ] - [ 0.1206476800000000, -0.0031892000000000, -0.0649530400000000 ] - [ -0.0014305800000000, -0.0018944000000000, -0.0019923300000000 ] - [ -0.0003179900000000, 0.0009121900000000, -0.0011379600000000 ] - [ 0.0015619400000000, 0.0018427200000000, 0.0023623600000000 ] - [ -0.0003750100000000, -0.0000768400000000, 0.0000430800000000 ] - [ 0.0003244700000000, -0.0010509200000000, 0.0007756300000000 ] - [ -0.0005407200000000, -0.0001894700000000, 0.0005972000000000 ] - [ -0.0002915700000000, 0.0001225300000000, 0.0004846600000000 ] - [ 0.0002032800000000, -0.0007740800000000, 0.0008450100000000 ] - [ 0.0002365200000000, -0.0000035000000000, 0.0004086800000000 ] - [ -0.0000961600000000, 0.0006855300000000, 0.0013454900000000 ] - [ -0.0005822300000000, 0.0007142600000000, -0.0000769700000000 ] - [ 0.0007955500000000, -0.0009953000000000, -0.0011704400000000 ] - [ 0.0051137800000000, 0.0063907400000000, -0.0063703400000000 ] - [ -0.0012997100000000, 0.0004354900000000, -0.0012532300000000 ] - [ -0.0003594800000000, -0.0000985700000000, 0.0008454000000000 ] - [ 0.0003645300000000, 0.0000194300000000, 0.0008563100000000 ] - [ -0.0000447800000000, -0.0001771600000000, 0.0006109000000000 ] - [ 0.0000371100000000, 0.0003225900000000, 0.0010369500000000 ] - [ 0.0012078100000000, 0.0004738800000000, -0.0007584500000000 ] - [ -0.0031693600000000, -0.0039344200000000, 0.0025971200000000 ] - [ 0.0005742800000000, 0.0013530700000000, 0.0003133600000000 ] - [ -0.0004325000000000, -0.0001833700000000, -0.0005061300000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000391060, 0.0000000000000000 ] forces: - [ 0.1312657600000000, 0.0042011300000000, -0.0787966700000000 ] - [ -0.0009300200000000, 0.0000894800000000, 0.0002450300000000 ] - [ 0.0004915700000000, 0.0004715000000000, -0.0001401800000000 ] - [ 0.0001976900000000, -0.0001768200000000, 0.0000913900000000 ] - [ -0.0022681100000000, 0.0003875400000000, -0.0003194100000000 ] - [ -0.0024575800000000, -0.0014956700000000, 0.0010595000000000 ] - [ 0.0000619600000000, -0.0038622300000000, -0.0019632600000000 ] - [ -0.0001455900000000, -0.0002137400000000, 0.0000327000000000 ] - [ 0.0001976500000000, 0.0000653200000000, -0.0000547400000000 ] - [ 0.0001422700000000, -0.0001267400000000, -0.0003425200000000 ] - [ 0.0020342500000000, -0.0013022700000000, 0.0014469500000000 ] - [ 0.0000266900000000, -0.0001370500000000, -0.0001376400000000 ] - [ -0.0011554100000000, 0.0031637600000000, 0.0040027100000000 ] - [ -0.0001782800000000, 0.0001494200000000, -0.0004245200000000 ] - [ -0.0000121800000000, 0.0002169000000000, -0.0001501800000000 ] - [ -0.0000668300000000, 0.0001898100000000, -0.0002513300000000 ] - [ 0.0007930000000000, 0.0002343600000000, -0.0003343200000000 ] - [ -0.0005156900000000, -0.0002087500000000, -0.0000019300000000 ] - [ -0.0000411100000000, -0.0000074900000000, -0.0004099900000000 ] - [ -0.0001802300000000, 0.0000237500000000, -0.0002373900000000 ] - [ -0.0002384000000000, 0.0007748400000000, -0.0002790000000000 ] - [ -0.0005009100000000, 0.0000081700000000, -0.0000169700000000 ] - [ -0.0028649700000000, 0.0012710700000000, 0.0007228000000000 ] - [ -0.0056603300000000, 0.0005842200000000, -0.0025505400000000 ] - [ 0.0000826900000000, 0.0001611700000000, 0.0004384200000000 ] - [ 0.0001199400000000, 0.0001795300000000, 0.0003338500000000 ] - [ 0.0001517900000000, 0.0001127600000000, 0.0003181100000000 ] - [ -0.0002089500000000, 0.0002058700000000, 0.0005543100000000 ] - [ 0.0005604900000000, 0.0006353500000000, 0.0009695400000000 ] - [ 0.0000138200000000, -0.0003253000000000, 0.0001983600000000 ] - [ 0.0001724600000000, -0.0001183800000000, 0.0003796400000000 ] - [ 0.0000041400000000, -0.0002308700000000, 0.0003986400000000 ] - [ 0.0002938200000000, -0.0000993300000000, -0.0000413100000000 ] - [ 0.0005534700000000, -0.0004561200000000, 0.0003194500000000 ] - [ 0.0003246000000000, -0.0001798200000000, 0.0000248200000000 ] - [ 0.0003891100000000, -0.0001309800000000, 0.0000843300000000 ] - [ -0.0000942600000000, 0.0003242200000000, 0.0000157100000000 ] - [ -0.0000051000000000, 0.0003692000000000, 0.0000612500000000 ] - [ -0.0000442300000000, 0.0003833000000000, 0.0000161300000000 ] - [ 0.0001313300000000, 0.0007012700000000, 0.0002715000000000 ] - [ -0.0004046500000000, -0.0001936700000000, 0.0001126200000000 ] - [ -0.0003346200000000, -0.0002526300000000, 0.0000352900000000 ] - [ -0.0001813500000000, -0.0002156100000000, -0.0000104000000000 ] - [ -0.0005875200000000, -0.0002621600000000, 0.0002151000000000 ] - [ -0.0000269900000000, -0.0000723800000000, 0.0005313400000000 ] - [ -0.0002998200000000, 0.0000803500000000, 0.0002499600000000 ] - [ -0.0000640400000000, -0.0003630100000000, 0.0006345700000000 ] - [ -0.0001113500000000, -0.0000693400000000, 0.0003801100000000 ] - [ -0.0002095900000000, 0.0000760600000000, 0.0004219200000000 ] - [ 0.0001490200000000, 0.0001183600000000, 0.0002988400000000 ] - [ 0.0001206000000000, 0.0001551200000000, 0.0001162400000000 ] - [ 0.0000784400000000, 0.0005400300000000, 0.0008085300000000 ] - [ 0.0001222800000000, -0.0000666500000000, 0.0002788500000000 ] - [ 0.0000808600000000, -0.0002994200000000, 0.0001695100000000 ] - [ 0.0002836900000000, -0.0001087500000000, 0.0003202100000000 ] - [ -0.0002625800000000, 0.0004772000000000, 0.0012076300000000 ] - [ -0.0015635200000000, 0.0009520200000000, -0.0016341300000000 ] - [ 0.0030515300000000, -0.0007974000000000, -0.0004289200000000 ] - [ 0.0002796200000000, -0.0001564800000000, -0.0004380800000000 ] - [ -0.0001403000000000, 0.0006063900000000, -0.0005833700000000 ] - [ 0.0000592800000000, 0.0002835000000000, -0.0003668200000000 ] - [ -0.0006815000000000, -0.0014560700000000, -0.0013060100000000 ] - [ 0.0025005700000000, 0.0011180900000000, -0.0010044100000000 ] - [ -0.0009452200000000, -0.0001449100000000, -0.0008505900000000 ] - [ 0.0000087700000000, -0.0000638100000000, -0.0004160400000000 ] - [ -0.0001206300000000, -0.0002881500000000, -0.0003052800000000 ] - [ -0.0017952900000000, 0.0000475600000000, -0.0020031700000000 ] - [ -0.0070712600000000, -0.0020607800000000, 0.0117670100000000 ] - [ -0.0002950600000000, 0.0000579600000000, 0.0001304100000000 ] - [ 0.0003870400000000, -0.0007278700000000, 0.0010654500000000 ] - [ -0.0000569000000000, -0.0000132900000000, 0.0003381700000000 ] - [ -0.0003559900000000, 0.0001103900000000, 0.0001830000000000 ] - [ 0.0050950400000000, -0.0015988700000000, 0.0032083800000000 ] - [ -0.1155208600000000, 0.0030323600000000, 0.0608620200000000 ] - [ 0.0014207600000000, 0.0018782000000000, 0.0019781800000000 ] - [ 0.0003133800000000, -0.0008986300000000, 0.0011235500000000 ] - [ -0.0015921800000000, -0.0018457600000000, -0.0023505900000000 ] - [ 0.0003775200000000, 0.0000830100000000, -0.0000400400000000 ] - [ -0.0003221200000000, 0.0010345000000000, -0.0007620700000000 ] - [ 0.0005386200000000, 0.0001897100000000, -0.0005939000000000 ] - [ 0.0002938300000000, -0.0001244800000000, -0.0004828900000000 ] - [ -0.0001972700000000, 0.0007666500000000, -0.0008417400000000 ] - [ -0.0002359000000000, 0.0000023500000000, -0.0004090400000000 ] - [ 0.0001002300000000, -0.0006805900000000, -0.0013321900000000 ] - [ 0.0005821900000000, -0.0007199600000000, 0.0000730100000000 ] - [ -0.0007784700000000, 0.0010241900000000, 0.0011804100000000 ] - [ -0.0052413100000000, -0.0067248300000000, 0.0066603500000000 ] - [ 0.0013195900000000, -0.0004379600000000, 0.0012522600000000 ] - [ 0.0003604200000000, 0.0000982900000000, -0.0008429400000000 ] - [ -0.0003647300000000, -0.0000188000000000, -0.0008521600000000 ] - [ 0.0000437500000000, 0.0001765200000000, -0.0006089800000000 ] - [ -0.0000343200000000, -0.0003236400000000, -0.0010340500000000 ] - [ -0.0012241200000000, -0.0004664600000000, 0.0007418800000000 ] - [ 0.0031476700000000, 0.0038847900000000, -0.0025643300000000 ] - [ -0.0005645800000000, -0.0013613400000000, -0.0003240700000000 ] - [ 0.0004290100000000, 0.0001877200000000, 0.0005081500000000 ]- atom: 1 displacement: [ -0.0050000000423406, 0.0086602540133990, 0.0000000000000000 ] forces: - [ 0.0631885900000000, -0.0379942900000000, -0.0300544100000000 ] - [ -0.0002787500000000, 0.0001173100000000, 0.0002578000000000 ] - [ 0.0001014400000000, 0.0003463400000000, 0.0001547100000000 ] - [ 0.0005169100000000, 0.0002821200000000, -0.0000481600000000 ] - [ -0.0017646600000000, 0.0000653800000000, -0.0000535500000000 ] - [ 0.0022365300000000, -0.0012263600000000, -0.0014897300000000 ] - [ 0.0005092100000000, 0.0020572100000000, 0.0011938700000000 ] - [ -0.0000036400000000, -0.0000199800000000, 0.0002404900000000 ] - [ 0.0001392800000000, 0.0000038200000000, 0.0000057300000000 ] - [ 0.0003247200000000, -0.0000799700000000, -0.0001706500000000 ] - [ -0.0006375700000000, 0.0006940900000000, -0.0016310100000000 ] - [ 0.0001913500000000, -0.0000938700000000, -0.0001575200000000 ] - [ -0.0002808600000000, 0.0005618400000000, 0.0009846700000000 ] - [ -0.0000739300000000, 0.0001436300000000, -0.0002379600000000 ] - [ -0.0000938700000000, 0.0003792900000000, -0.0001659800000000 ] - [ -0.0000142800000000, 0.0004108800000000, -0.0000701400000000 ] - [ -0.0000534700000000, 0.0002772500000000, 0.0013730200000000 ] - [ -0.0003194700000000, -0.0001701700000000, -0.0001047500000000 ] - [ -0.0002571000000000, -0.0001090300000000, -0.0001988500000000 ] - [ -0.0003519300000000, -0.0004553300000000, 0.0000554100000000 ] - [ -0.0007693500000000, 0.0024864700000000, -0.0006356100000000 ] - [ -0.0004054500000000, 0.0002394700000000, 0.0000226400000000 ] - [ -0.0049146300000000, 0.0002702300000000, 0.0027664100000000 ] - [ -0.0007096600000000, -0.0001802200000000, -0.0001570200000000 ] - [ -0.0001865500000000, 0.0001552200000000, 0.0004838100000000 ] - [ 0.0001686700000000, 0.0001654600000000, 0.0002713000000000 ] - [ 0.0002157400000000, 0.0002021600000000, 0.0001536300000000 ] - [ 0.0000740100000000, 0.0001990400000000, 0.0002760600000000 ] - [ 0.0001942000000000, 0.0001119500000000, 0.0005097500000000 ] - [ 0.0000653400000000, -0.0002221000000000, 0.0002023900000000 ] - [ 0.0000877800000000, -0.0002840700000000, 0.0001508000000000 ] - [ 0.0000925900000000, -0.0002197700000000, 0.0002781700000000 ] - [ 0.0002570100000000, -0.0000353700000000, -0.0001662900000000 ] - [ 0.0003710300000000, -0.0002305500000000, 0.0000238900000000 ] - [ 0.0002892400000000, -0.0001202600000000, -0.0000870900000000 ] - [ 0.0002889300000000, -0.0000743200000000, -0.0000983700000000 ] - [ -0.0000979300000000, 0.0002794700000000, -0.0000938300000000 ] - [ -0.0000401300000000, 0.0003087600000000, -0.0000735100000000 ] - [ -0.0000800300000000, 0.0002462600000000, -0.0001503200000000 ] - [ 0.0000144000000000, 0.0004230000000000, -0.0000240800000000 ] - [ -0.0002881300000000, -0.0001650300000000, -0.0000683700000000 ] - [ -0.0002015700000000, -0.0002092300000000, -0.0001176400000000 ] - [ -0.0001572400000000, -0.0002065500000000, -0.0001401900000000 ] - [ -0.0003203700000000, -0.0002209400000000, -0.0000379700000000 ] - [ -0.0000944000000000, -0.0001029800000000, 0.0003684900000000 ] - [ -0.0002762400000000, 0.0000269900000000, 0.0002232000000000 ] - [ -0.0004407200000000, 0.0003354900000000, 0.0000445500000000 ] - [ -0.0001905100000000, 0.0000288100000000, 0.0002525700000000 ] - [ -0.0000301600000000, 0.0001278900000000, 0.0003295100000000 ] - [ 0.0002311400000000, 0.0001992200000000, 0.0001152100000000 ] - [ 0.0001573900000000, 0.0001471300000000, 0.0001538200000000 ] - [ 0.0001544400000000, 0.0003397700000000, 0.0003533000000000 ] - [ 0.0000588300000000, -0.0001946200000000, 0.0001792200000000 ] - [ 0.0001030200000000, -0.0002605600000000, 0.0001866300000000 ] - [ 0.0001242500000000, -0.0002786800000000, 0.0001404600000000 ] - [ -0.0000790400000000, 0.0001521100000000, 0.0006590500000000 ] - [ -0.0005569400000000, 0.0001569000000000, -0.0006695100000000 ] - [ 0.0043234600000000, -0.0007345900000000, -0.0023287100000000 ] - [ 0.0004080700000000, -0.0001373100000000, -0.0001133500000000 ] - [ -0.0003040900000000, 0.0006161400000000, -0.0008101500000000 ] - [ -0.0000851100000000, 0.0003497300000000, -0.0003354300000000 ] - [ 0.0001424900000000, 0.0001796600000000, -0.0000903500000000 ] - [ -0.0015231100000000, 0.0001961100000000, 0.0011504100000000 ] - [ -0.0003809900000000, -0.0000027600000000, -0.0005033700000000 ] - [ -0.0002037900000000, -0.0001541200000000, -0.0001649400000000 ] - [ -0.0000741600000000, -0.0001348400000000, -0.0002888200000000 ] - [ -0.0012014700000000, -0.0004702000000000, -0.0009785800000000 ] - [ -0.0019956200000000, -0.0089300100000000, 0.0048498300000000 ] - [ -0.0003307800000000, 0.0000987900000000, 0.0000988700000000 ] - [ 0.0001205300000000, -0.0002805800000000, 0.0005632200000000 ] - [ -0.0001583700000000, 0.0000038600000000, 0.0002667100000000 ] - [ -0.0002938300000000, 0.0001086400000000, 0.0001250400000000 ] - [ 0.0024162100000000, 0.0003242800000000, 0.0010259700000000 ] - [ -0.0658700600000000, 0.0308054500000000, 0.0352208400000000 ] - [ -0.0007697500000000, -0.0004563300000000, -0.0004353400000000 ] - [ 0.0007598300000000, -0.0013955300000000, 0.0012900600000000 ] - [ 0.0002888400000000, -0.0004188300000000, -0.0014877300000000 ] - [ 0.0000620000000000, 0.0000522900000000, -0.0001076500000000 ] - [ 0.0002979500000000, -0.0007272400000000, 0.0002395200000000 ] - [ 0.0000193800000000, -0.0000785600000000, -0.0002266600000000 ] - [ 0.0002148400000000, -0.0001122700000000, -0.0001521200000000 ] - [ -0.0001670000000000, 0.0003117500000000, -0.0002623400000000 ] - [ -0.0000601600000000, 0.0001145500000000, -0.0000999900000000 ] - [ -0.0000339700000000, -0.0003295200000000, -0.0004296800000000 ] - [ 0.0007302700000000, -0.0006651200000000, -0.0001151600000000 ] - [ -0.0016564900000000, -0.0014099400000000, -0.0004863000000000 ] - [ 0.0074122000000000, 0.0138797600000000, -0.0102810600000000 ] - [ 0.0006360300000000, -0.0001082900000000, 0.0003708200000000 ] - [ 0.0001851600000000, 0.0001099300000000, -0.0003702200000000 ] - [ -0.0001893800000000, 0.0001291200000000, -0.0002851100000000 ] - [ -0.0000619700000000, -0.0000041900000000, -0.0001525200000000 ] - [ 0.0001332600000000, -0.0002242300000000, -0.0003155500000000 ] - [ -0.0000960100000000, -0.0002263100000000, 0.0011748000000000 ] - [ 0.0011391200000000, 0.0013370800000000, -0.0011095900000000 ] - [ 0.0000878300000000, -0.0004682300000000, -0.0001326600000000 ] - [ -0.0001088500000000, 0.0000651600000000, 0.0001792100000000 ]- atom: 1 displacement: [ 0.0050000000423406, -0.0086602540133990, 0.0000000000000000 ] forces: - [ -0.0638225700000000, 0.0379841900000000, 0.0313052700000000 ] - [ 0.0006887600000000, 0.0002573000000000, 0.0000678200000000 ] - [ 0.0003040700000000, 0.0000267100000000, 0.0001735700000000 ] - [ -0.0001074700000000, 0.0000936000000000, 0.0003737500000000 ] - [ 0.0018553800000000, -0.0005973300000000, 0.0003783600000000 ] - [ -0.0021332500000000, 0.0006811600000000, 0.0018455800000000 ] - [ -0.0003964800000000, -0.0026033600000000, -0.0008603600000000 ] - [ 0.0001266300000000, -0.0005202600000000, 0.0000847300000000 ] - [ 0.0003456700000000, -0.0001325300000000, -0.0003508500000000 ] - [ 0.0001611800000000, -0.0000490900000000, -0.0001755000000000 ] - [ 0.0011090300000000, -0.0008115300000000, 0.0012764700000000 ] - [ 0.0002950800000000, -0.0000347900000000, -0.0001891700000000 ] - [ 0.0001497700000000, -0.0000987400000000, -0.0013369600000000 ] - [ -0.0000588000000000, 0.0003409700000000, -0.0001064900000000 ] - [ -0.0000383700000000, 0.0001074400000000, -0.0001775300000000 ] - [ -0.0001170000000000, 0.0000754100000000, -0.0002735900000000 ] - [ -0.0002945100000000, -0.0006374700000000, -0.0017104600000000 ] - [ -0.0000327900000000, -0.0001856800000000, -0.0002438500000000 ] - [ -0.0000977500000000, -0.0002481400000000, -0.0001468400000000 ] - [ 0.0000012400000000, 0.0001004200000000, -0.0004054500000000 ] - [ 0.0002334500000000, -0.0022728100000000, 0.0009523500000000 ] - [ -0.0001238100000000, -0.0000731900000000, 0.0003033800000000 ] - [ 0.0045693400000000, -0.0001580800000000, -0.0024651500000000 ] - [ 0.0002059800000000, 0.0003362100000000, 0.0004980600000000 ] - [ 0.0005404100000000, 0.0002251700000000, -0.0001309700000000 ] - [ 0.0001856100000000, 0.0002144200000000, 0.0000813300000000 ] - [ 0.0001402100000000, 0.0001782000000000, 0.0001974900000000 ] - [ 0.0002832100000000, 0.0001807700000000, 0.0000744400000000 ] - [ -0.0000407200000000, -0.0006114200000000, -0.0001622200000000 ] - [ 0.0000907700000000, -0.0002741300000000, 0.0001477700000000 ] - [ 0.0000674900000000, -0.0002141900000000, 0.0001976900000000 ] - [ 0.0000642400000000, -0.0002768100000000, 0.0000715900000000 ] - [ 0.0002504700000000, -0.0000778000000000, -0.0001872400000000 ] - [ 0.0001354500000000, 0.0001184100000000, -0.0003783000000000 ] - [ 0.0002181700000000, 0.0000074400000000, -0.0002663700000000 ] - [ 0.0002182100000000, -0.0000387500000000, -0.0002552700000000 ] - [ -0.0000577000000000, 0.0002166000000000, -0.0002574000000000 ] - [ -0.0001148800000000, 0.0001876400000000, -0.0002776700000000 ] - [ -0.0000753300000000, 0.0002498000000000, -0.0002010300000000 ] - [ -0.0001697500000000, 0.0000728600000000, -0.0003276700000000 ] - [ -0.0000660600000000, -0.0002146300000000, -0.0002852800000000 ] - [ -0.0001513500000000, -0.0001711300000000, -0.0002364700000000 ] - [ -0.0001966900000000, -0.0001735300000000, -0.0002133900000000 ] - [ -0.0000331000000000, -0.0001593200000000, -0.0003159700000000 ] - [ -0.0004122800000000, 0.0002153400000000, -0.0000163800000000 ] - [ -0.0002308100000000, 0.0000849000000000, 0.0001294100000000 ] - [ -0.0000694300000000, -0.0002154000000000, 0.0003023100000000 ] - [ -0.0003166500000000, 0.0000848800000000, 0.0000990800000000 ] - [ 0.0003825300000000, 0.0002270500000000, 0.0000196800000000 ] - [ 0.0001230200000000, 0.0001565200000000, 0.0002317500000000 ] - [ 0.0001960300000000, 0.0002084700000000, 0.0001941700000000 ] - [ 0.0002001300000000, 0.0000163200000000, -0.0000067800000000 ] - [ 0.0000736800000000, -0.0002909500000000, 0.0001646700000000 ] - [ 0.0000301800000000, -0.0002242300000000, 0.0001581700000000 ] - [ 0.0000077500000000, -0.0002070200000000, 0.0002031200000000 ] - [ 0.0002127500000000, -0.0006388000000000, -0.0003161800000000 ] - [ 0.0010904700000000, -0.0003285000000000, 0.0003482300000000 ] - [ -0.0038072000000000, 0.0005716200000000, 0.0019818700000000 ] - [ 0.0001216000000000, -0.0000280200000000, -0.0002122000000000 ] - [ 0.0008287300000000, -0.0007778200000000, 0.0004758600000000 ] - [ -0.0000364100000000, 0.0001910300000000, 0.0000095000000000 ] - [ -0.0002606200000000, 0.0003647700000000, -0.0002323300000000 ] - [ 0.0014111700000000, 0.0003338000000000, -0.0015220100000000 ] - [ 0.0002601800000000, 0.0005439100000000, 0.0001789000000000 ] - [ -0.0002040900000000, -0.0002215400000000, -0.0001612500000000 ] - [ -0.0003310500000000, -0.0002380200000000, -0.0000386000000000 ] - [ 0.0007934100000000, 0.0000884900000000, 0.0006496800000000 ] - [ 0.0016788400000000, 0.0086675800000000, -0.0052879500000000 ] - [ -0.0001546400000000, 0.0000301400000000, 0.0002470000000000 ] - [ -0.0006059600000000, 0.0004102400000000, -0.0002173300000000 ] - [ -0.0003272700000000, 0.0001249200000000, 0.0000787400000000 ] - [ -0.0001908000000000, 0.0000200200000000, 0.0002210900000000 ] - [ -0.0024120500000000, -0.0003071300000000, -0.0010291000000000 ] - [ 0.0668682600000000, -0.0304908100000000, -0.0360878800000000 ] - [ 0.0007637200000000, 0.0004500300000000, 0.0004341700000000 ] - [ -0.0007521600000000, 0.0013894400000000, -0.0012778700000000 ] - [ -0.0002835000000000, 0.0004238100000000, 0.0014844300000000 ] - [ -0.0000653700000000, -0.0000507500000000, 0.0001059400000000 ] - [ -0.0002987300000000, 0.0007154400000000, -0.0002346900000000 ] - [ -0.0000264600000000, 0.0000795500000000, 0.0002271200000000 ] - [ -0.0002108500000000, 0.0001106500000000, 0.0001543100000000 ] - [ 0.0001691200000000, -0.0003159600000000, 0.0002648300000000 ] - [ 0.0000639700000000, -0.0001158900000000, 0.0001027500000000 ] - [ 0.0000366100000000, 0.0003288200000000, 0.0004331600000000 ] - [ -0.0007255900000000, 0.0006630500000000, 0.0001096300000000 ] - [ 0.0016475100000000, 0.0014006400000000, 0.0004740900000000 ] - [ -0.0076175700000000, -0.0138552400000000, 0.0104058500000000 ] - [ -0.0006422000000000, 0.0001068100000000, -0.0003831200000000 ] - [ -0.0001853100000000, -0.0001096800000000, 0.0003718300000000 ] - [ 0.0001898100000000, -0.0001282100000000, 0.0002867200000000 ] - [ 0.0000613000000000, 0.0000027600000000, 0.0001549000000000 ] - [ -0.0001312200000000, 0.0002238100000000, 0.0003191400000000 ] - [ 0.0000997500000000, 0.0002290500000000, -0.0011646600000000 ] - [ -0.0011437000000000, -0.0013451700000000, 0.0011138700000000 ] - [ -0.0000861500000000, 0.0004718800000000, 0.0001383200000000 ] - [ 0.0001061200000000, -0.0000666100000000, -0.0001781700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0799396300000000, 0.0117544200000000, -0.0857935000000000 ] - [ 0.0001241100000000, 0.0002507500000000, -0.0004836600000000 ] - [ 0.0005077200000000, 0.0003521100000000, -0.0002159600000000 ] - [ 0.0002764100000000, -0.0000141100000000, -0.0000105300000000 ] - [ -0.0007292200000000, -0.0003288800000000, -0.0006436900000000 ] - [ 0.0026421800000000, -0.0011233400000000, -0.0029855600000000 ] - [ -0.0002665300000000, -0.0031989200000000, -0.0022193700000000 ] - [ -0.0000806400000000, -0.0003983200000000, -0.0001456300000000 ] - [ 0.0000559800000000, 0.0001199400000000, -0.0002654700000000 ] - [ 0.0002589800000000, -0.0000804200000000, -0.0003138000000000 ] - [ 0.0032556900000000, -0.0031517300000000, 0.0034037100000000 ] - [ 0.0000621600000000, -0.0000773300000000, -0.0002659100000000 ] - [ -0.0015327000000000, 0.0029818100000000, 0.0034103500000000 ] - [ 0.0001113500000000, 0.0002759700000000, -0.0002645200000000 ] - [ -0.0000652000000000, 0.0000450600000000, -0.0003139000000000 ] - [ -0.0000511900000000, 0.0002736600000000, -0.0002652000000000 ] - [ -0.0000265000000000, 0.0017031200000000, 0.0022389000000000 ] - [ -0.0003482000000000, -0.0001972400000000, -0.0001927800000000 ] - [ 0.0000604000000000, -0.0000711900000000, -0.0004340000000000 ] - [ -0.0001108800000000, 0.0001278500000000, -0.0005072700000000 ] - [ -0.0005299500000000, 0.0004799600000000, -0.0006387800000000 ] - [ -0.0004729800000000, 0.0001133500000000, -0.0001448800000000 ] - [ 0.0022772400000000, 0.0005185000000000, -0.0029851400000000 ] - [ -0.0034247300000000, 0.0007220000000000, -0.0022251700000000 ] - [ -0.0004596800000000, 0.0000312400000000, 0.0007791100000000 ] - [ 0.0002351500000000, 0.0002006300000000, 0.0003426800000000 ] - [ 0.0000535900000000, 0.0000516400000000, 0.0004270000000000 ] - [ -0.0000697800000000, 0.0002269300000000, 0.0004841700000000 ] - [ 0.0004690400000000, 0.0005606300000000, 0.0009628500000000 ] - [ 0.0000292300000000, -0.0002110400000000, 0.0003060400000000 ] - [ 0.0001716100000000, -0.0001133200000000, 0.0004645500000000 ] - [ 0.0000033400000000, -0.0002565700000000, 0.0003866300000000 ] - [ 0.0003630200000000, -0.0002142300000000, 0.0001094600000000 ] - [ 0.0005502200000000, -0.0004027100000000, 0.0003093200000000 ] - [ 0.0003887500000000, -0.0002527000000000, 0.0001438900000000 ] - [ 0.0004195600000000, -0.0001813100000000, 0.0001435700000000 ] - [ -0.0000679600000000, 0.0003986800000000, 0.0001103600000000 ] - [ 0.0000112300000000, 0.0004290100000000, 0.0001447900000000 ] - [ 0.0000002400000000, 0.0005059100000000, 0.0001450000000000 ] - [ 0.0001227700000000, 0.0007074300000000, 0.0003106300000000 ] - [ -0.0004675000000000, -0.0002324100000000, 0.0002227000000000 ] - [ -0.0003897700000000, -0.0002443600000000, 0.0000989900000000 ] - [ -0.0003444400000000, -0.0002442100000000, 0.0001419300000000 ] - [ -0.0005703000000000, -0.0002568700000000, 0.0002354400000000 ] - [ -0.0000758500000000, -0.0000102700000000, 0.0005895700000000 ] - [ -0.0002728500000000, 0.0000507000000000, 0.0002817400000000 ] - [ 0.0003012800000000, -0.0008301300000000, 0.0010399400000000 ] - [ -0.0001557900000000, -0.0000087900000000, 0.0003494300000000 ] - [ -0.0002031200000000, 0.0000761200000000, 0.0004833900000000 ] - [ 0.0000328600000000, 0.0000705500000000, 0.0004251900000000 ] - [ 0.0000181200000000, 0.0001968800000000, 0.0003413400000000 ] - [ -0.0000868900000000, 0.0003812700000000, 0.0007758500000000 ] - [ 0.0001430600000000, -0.0000509500000000, 0.0003465800000000 ] - [ 0.0001134800000000, -0.0001832000000000, 0.0002791100000000 ] - [ 0.0002583000000000, 0.0000569700000000, 0.0005856200000000 ] - [ -0.0000623200000000, 0.0003632100000000, 0.0010322900000000 ] - [ -0.0009513400000000, 0.0005385100000000, -0.0011305800000000 ] - [ -0.0019137300000000, -0.0003313000000000, 0.0016714000000000 ] - [ 0.0002314700000000, 0.0001362400000000, -0.0003974200000000 ] - [ -0.0000822800000000, 0.0005101700000000, -0.0005641000000000 ] - [ -0.0000111900000000, -0.0000760500000000, -0.0003962200000000 ] - [ -0.0005699500000000, -0.0011343300000000, -0.0011302100000000 ] - [ -0.0021909500000000, 0.0011508400000000, 0.0016746500000000 ] - [ -0.0007029000000000, 0.0001538500000000, -0.0005639000000000 ] - [ 0.0000488000000000, -0.0000435400000000, -0.0004279400000000 ] - [ -0.0000605000000000, -0.0002489100000000, -0.0003237000000000 ] - [ 0.0016102400000000, -0.0000742100000000, 0.0005534900000000 ] - [ -0.0121680500000000, -0.0013109200000000, 0.0011730700000000 ] - [ -0.0001219800000000, -0.0001254100000000, 0.0003861300000000 ] - [ 0.0002142900000000, -0.0005877500000000, 0.0009587700000000 ] - [ -0.0000145500000000, -0.0000407900000000, 0.0004627500000000 ] - [ -0.0002461900000000, 0.0000340800000000, 0.0003047500000000 ] - [ 0.0012424100000000, -0.0010659000000000, 0.0033047400000000 ] - [ -0.0603141200000000, 0.0008706300000000, 0.0728337200000000 ] - [ 0.0012490700000000, 0.0010977500000000, 0.0019484500000000 ] - [ 0.0002291100000000, -0.0003760300000000, 0.0012581100000000 ] - [ 0.0001185500000000, -0.0015684600000000, -0.0025430400000000 ] - [ -0.0000061100000000, -0.0001152200000000, -0.0001749500000000 ] - [ -0.0008939900000000, 0.0023662700000000, -0.0013651600000000 ] - [ 0.0003843100000000, 0.0000891100000000, -0.0004159100000000 ] - [ 0.0001977400000000, 0.0000341500000000, -0.0008339500000000 ] - [ -0.0001417900000000, 0.0005663800000000, -0.0010371000000000 ] - [ -0.0001694600000000, -0.0001014200000000, -0.0009063000000000 ] - [ 0.0000650400000000, -0.0005303600000000, -0.0013660500000000 ] - [ 0.0004111300000000, -0.0001737600000000, 0.0008684200000000 ] - [ -0.0010877300000000, -0.0009153400000000, 0.0013895900000000 ] - [ -0.0081545700000000, -0.0121970000000000, 0.0112677100000000 ] - [ 0.0001319200000000, -0.0003044200000000, 0.0014412200000000 ] - [ 0.0003514400000000, 0.0002215100000000, -0.0010594700000000 ] - [ -0.0003346600000000, -0.0000548900000000, -0.0011944800000000 ] - [ 0.0001471000000000, 0.0001430400000000, -0.0008490800000000 ] - [ -0.0002130500000000, -0.0003295600000000, -0.0012676200000000 ] - [ -0.0008386200000000, 0.0006056100000000, -0.0010758100000000 ] - [ 0.0022018500000000, 0.0030752400000000, -0.0024305300000000 ] - [ -0.0002474400000000, -0.0014128200000000, -0.0006151500000000 ] - [ 0.0002089500000000, -0.0001666600000000, 0.0000342800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0819206600000000, -0.0108513600000000, 0.0873610000000000 ] - [ 0.0002818200000000, 0.0001203700000000, 0.0008141600000000 ] - [ -0.0001035900000000, 0.0000230000000000, 0.0005442100000000 ] - [ 0.0001303000000000, 0.0003846800000000, 0.0003388600000000 ] - [ 0.0008619100000000, -0.0002109300000000, 0.0009673600000000 ] - [ -0.0026143000000000, 0.0005734300000000, 0.0033270600000000 ] - [ 0.0003889400000000, 0.0026717700000000, 0.0025466600000000 ] - [ 0.0002006500000000, -0.0001408300000000, 0.0004720700000000 ] - [ 0.0004254400000000, -0.0002395200000000, -0.0000895600000000 ] - [ 0.0002241200000000, -0.0000524600000000, -0.0000347400000000 ] - [ -0.0027432700000000, 0.0029985700000000, -0.0037221000000000 ] - [ 0.0004192500000000, -0.0000410400000000, -0.0000890100000000 ] - [ 0.0013745700000000, -0.0024676400000000, -0.0037142300000000 ] - [ -0.0002466300000000, 0.0002044100000000, -0.0000866100000000 ] - [ -0.0000671900000000, 0.0004371000000000, -0.0000354500000000 ] - [ -0.0000831700000000, 0.0002067900000000, -0.0000858500000000 ] - [ -0.0003136800000000, -0.0020278400000000, -0.0025505400000000 ] - [ -0.0000047500000000, -0.0001579200000000, -0.0001584300000000 ] - [ -0.0004066800000000, -0.0002826600000000, 0.0000777300000000 ] - [ -0.0002288900000000, -0.0004697400000000, 0.0001378000000000 ] - [ 0.0000046700000000, -0.0003330200000000, 0.0009724800000000 ] - [ -0.0000556900000000, 0.0000515200000000, 0.0004727500000000 ] - [ -0.0028777300000000, -0.0003345400000000, 0.0033297600000000 ] - [ 0.0028979500000000, -0.0005563500000000, 0.0025425400000000 ] - [ 0.0008074600000000, 0.0003479900000000, -0.0004208800000000 ] - [ 0.0001189500000000, 0.0001790800000000, 0.0000114700000000 ] - [ 0.0002965200000000, 0.0003291800000000, -0.0000705500000000 ] - [ 0.0004152600000000, 0.0001567900000000, -0.0001249700000000 ] - [ -0.0003081700000000, -0.0010494900000000, -0.0006043500000000 ] - [ 0.0001223700000000, -0.0002882200000000, 0.0000443800000000 ] - [ -0.0000114200000000, -0.0003785000000000, -0.0001092200000000 ] - [ 0.0001563300000000, -0.0002350300000000, -0.0000310200000000 ] - [ 0.0001428800000000, 0.0000990500000000, -0.0004623100000000 ] - [ -0.0000435700000000, 0.0002893700000000, -0.0006629000000000 ] - [ 0.0001181500000000, 0.0001392800000000, -0.0004971200000000 ] - [ 0.0000871200000000, 0.0000667700000000, -0.0004968600000000 ] - [ -0.0000895700000000, 0.0000961900000000, -0.0004626900000000 ] - [ -0.0001631900000000, 0.0000695700000000, -0.0004943600000000 ] - [ -0.0001561000000000, -0.0000088300000000, -0.0004956200000000 ] - [ -0.0002759300000000, -0.0002088200000000, -0.0006607900000000 ] - [ 0.0001118700000000, -0.0001472800000000, -0.0005756500000000 ] - [ 0.0000367800000000, -0.0001364500000000, -0.0004538600000000 ] - [ -0.0000104000000000, -0.0001363700000000, -0.0004952800000000 ] - [ 0.0002135900000000, -0.0001217200000000, -0.0005889100000000 ] - [ -0.0004297300000000, 0.0001209700000000, -0.0002324800000000 ] - [ -0.0002348100000000, 0.0000576300000000, 0.0000738300000000 ] - [ -0.0008031400000000, 0.0009326600000000, -0.0006774800000000 ] - [ -0.0003504800000000, 0.0001227100000000, 0.0000053200000000 ] - [ 0.0005495400000000, 0.0002790600000000, -0.0001292000000000 ] - [ 0.0003200800000000, 0.0002826000000000, -0.0000748900000000 ] - [ 0.0003338200000000, 0.0001572400000000, 0.0000094900000000 ] - [ 0.0004393800000000, -0.0000259100000000, -0.0004259100000000 ] - [ -0.0000087300000000, -0.0004306400000000, 0.0000024300000000 ] - [ 0.0000208400000000, -0.0002980800000000, 0.0000697000000000 ] - [ -0.0001267600000000, -0.0005403900000000, -0.0002374000000000 ] - [ 0.0001950900000000, -0.0008469600000000, -0.0006863000000000 ] - [ 0.0014826000000000, -0.0007011600000000, 0.0008030400000000 ] - [ 0.0025151900000000, 0.0001673900000000, -0.0020500400000000 ] - [ 0.0002966600000000, -0.0002966000000000, 0.0000678300000000 ] - [ 0.0006109100000000, -0.0006797400000000, 0.0002404000000000 ] - [ -0.0001091800000000, 0.0006149000000000, 0.0000708600000000 ] - [ 0.0004458200000000, 0.0016734700000000, 0.0008036900000000 ] - [ 0.0021410300000000, -0.0006372200000000, -0.0020487900000000 ] - [ 0.0005851800000000, 0.0003875800000000, 0.0002397800000000 ] - [ -0.0004542700000000, -0.0003293000000000, 0.0000987800000000 ] - [ -0.0003482200000000, -0.0001243300000000, -0.0000027500000000 ] - [ -0.0020344800000000, -0.0003035100000000, -0.0008958100000000 ] - [ 0.0119694400000000, 0.0009512300000000, -0.0014798100000000 ] - [ -0.0003613400000000, 0.0002485400000000, -0.0000340400000000 ] - [ -0.0006983800000000, 0.0007152500000000, -0.0006098300000000 ] - [ -0.0004695500000000, 0.0001684800000000, -0.0001129200000000 ] - [ -0.0002381000000000, 0.0000911000000000, 0.0000447600000000 ] - [ -0.0012747100000000, 0.0010618600000000, -0.0033179800000000 ] - [ 0.0629506100000000, -0.0008785300000000, -0.0744163400000000 ] - [ -0.0012508800000000, -0.0011061400000000, -0.0019543800000000 ] - [ -0.0002325600000000, 0.0003832600000000, -0.0012669400000000 ] - [ -0.0001238900000000, 0.0015598900000000, 0.0025337200000000 ] - [ 0.0000038600000000, 0.0001194800000000, 0.0001763600000000 ] - [ 0.0008867200000000, -0.0023507500000000, 0.0013604000000000 ] - [ -0.0003884100000000, -0.0000888900000000, 0.0004189800000000 ] - [ -0.0001940700000000, -0.0000346500000000, 0.0008296700000000 ] - [ 0.0001434400000000, -0.0005695100000000, 0.0010354100000000 ] - [ 0.0001720000000000, 0.0001003800000000, 0.0009028000000000 ] - [ -0.0000645000000000, 0.0005295500000000, 0.0013664200000000 ] - [ -0.0004099900000000, 0.0001748100000000, -0.0008609700000000 ] - [ 0.0010912600000000, 0.0009294900000000, -0.0013705900000000 ] - [ 0.0077540600000000, 0.0116402000000000, -0.0109582800000000 ] - [ -0.0001248500000000, 0.0002997600000000, -0.0014296300000000 ] - [ -0.0003497500000000, -0.0002199500000000, 0.0010558300000000 ] - [ 0.0003322800000000, 0.0000530000000000, 0.0011893500000000 ] - [ -0.0001463200000000, -0.0001418400000000, 0.0008459000000000 ] - [ 0.0002103900000000, 0.0003276000000000, 0.0012617200000000 ] - [ 0.0008352400000000, -0.0006021000000000, 0.0010655000000000 ] - [ -0.0022073400000000, -0.0030905700000000, 0.0024419400000000 ] - [ 0.0002483900000000, 0.0014115100000000, 0.0006093200000000 ] - [ -0.0002117200000000, 0.0001667600000000, -0.0000368400000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000391060, 0.0000000000000000 ] forces: - [ -0.0049161000000000, 0.0000333300000000, 0.0014164100000000 ] - [ 0.1155464900000000, -0.0082153600000000, -0.0591620000000000 ] - [ -0.0012251200000000, -0.0015200800000000, 0.0014147500000000 ] - [ -0.0001132500000000, 0.0008752600000000, 0.0003949800000000 ] - [ 0.0599494600000000, 0.0372458600000000, 0.0323470500000000 ] - [ -0.0015234700000000, -0.0004433700000000, -0.0002838000000000 ] - [ 0.0000528000000000, 0.0008002300000000, 0.0004905300000000 ] - [ -0.0008708400000000, -0.0042607900000000, -0.0013890800000000 ] - [ -0.0009718700000000, 0.0000898500000000, -0.0017680500000000 ] - [ 0.0000581300000000, 0.0001312700000000, -0.0000731700000000 ] - [ -0.0002508200000000, 0.0001558600000000, -0.0004480800000000 ] - [ 0.0024078200000000, -0.0015700100000000, 0.0011189500000000 ] - [ -0.0005747700000000, -0.0004010200000000, -0.0015922600000000 ] - [ -0.0008429700000000, 0.0019228600000000, 0.0023209700000000 ] - [ -0.0001471400000000, 0.0001613700000000, -0.0002930000000000 ] - [ -0.0000548300000000, 0.0000960700000000, -0.0002738900000000 ] - [ -0.0005521000000000, -0.0003229600000000, -0.0001814800000000 ] - [ 0.0014061400000000, 0.0010656200000000, -0.0000599000000000 ] - [ -0.0007156500000000, -0.0004625800000000, 0.0002106500000000 ] - [ 0.0001490500000000, 0.0003502000000000, -0.0010617900000000 ] - [ -0.0004641100000000, -0.0007587300000000, 0.0003765400000000 ] - [ 0.0000500000000000, 0.0016021400000000, 0.0004559600000000 ] - [ -0.0033953900000000, 0.0009889300000000, -0.0014217400000000 ] - [ 0.0495300500000000, -0.0368180500000000, 0.0306704200000000 ] - [ 0.0004136700000000, 0.0002554300000000, 0.0000057300000000 ] - [ 0.0000768500000000, 0.0000921500000000, 0.0002433600000000 ] - [ -0.0001165700000000, 0.0002669000000000, 0.0003734400000000 ] - [ 0.0003749700000000, 0.0001114400000000, 0.0000358400000000 ] - [ -0.0001895500000000, -0.0008347100000000, -0.0003160000000000 ] - [ 0.0004357800000000, 0.0004348200000000, 0.0007414200000000 ] - [ -0.0001254800000000, -0.0004245400000000, 0.0001070400000000 ] - [ 0.0002091500000000, -0.0001830900000000, 0.0001746800000000 ] - [ 0.0004921000000000, -0.0005410500000000, 0.0002470100000000 ] - [ 0.0002235800000000, -0.0000280200000000, -0.0003047600000000 ] - [ 0.0004375600000000, -0.0000830200000000, -0.0000047000000000 ] - [ -0.0001254900000000, 0.0003801700000000, -0.0005979800000000 ] - [ 0.0000522100000000, 0.0003113100000000, -0.0001784100000000 ] - [ -0.0002810500000000, 0.0000726600000000, -0.0002443800000000 ] - [ 0.0002752200000000, 0.0009269600000000, 0.0003859300000000 ] - [ -0.0003451800000000, -0.0003367800000000, -0.0006666700000000 ] - [ 0.0000249400000000, -0.0002681900000000, -0.0003211400000000 ] - [ -0.0004696400000000, -0.0001139300000000, 0.0000189100000000 ] - [ -0.0002740500000000, -0.0002874900000000, -0.0001132300000000 ] - [ 0.0000584800000000, -0.0001256200000000, -0.0003470800000000 ] - [ -0.0006337600000000, 0.0004912700000000, -0.0002437200000000 ] - [ -0.0000689300000000, 0.0000291100000000, 0.0003503300000000 ] - [ -0.0002837700000000, 0.0000851200000000, 0.0000486700000000 ] - [ -0.0000118300000000, -0.0004352800000000, 0.0006064100000000 ] - [ 0.0005004400000000, 0.0007133700000000, -0.0007210900000000 ] - [ -0.0003659900000000, -0.0001085700000000, 0.0005642000000000 ] - [ 0.0017492400000000, 0.0014182000000000, 0.0003011300000000 ] - [ -0.0002024800000000, 0.0000345400000000, 0.0001725900000000 ] - [ 0.0000802900000000, -0.0003833800000000, 0.0000761000000000 ] - [ -0.0000129800000000, -0.0003168100000000, 0.0000590900000000 ] - [ -0.0007040000000000, 0.0014284600000000, 0.0026546600000000 ] - [ -0.0004423800000000, -0.0008788600000000, -0.0012384600000000 ] - [ 0.0498400400000000, -0.0358954800000000, 0.0294323700000000 ] - [ -0.0028496200000000, 0.0008247900000000, -0.0017365400000000 ] - [ 0.0005740000000000, 0.0014568500000000, 0.0001290100000000 ] - [ 0.0000600200000000, -0.0009206600000000, 0.0000497400000000 ] - [ -0.0009971900000000, -0.0037334100000000, -0.0017119800000000 ] - [ -0.0000714800000000, 0.0013367100000000, 0.0001687000000000 ] - [ -0.0016449100000000, 0.0000963000000000, -0.0006049700000000 ] - [ 0.0594961800000000, 0.0363179900000000, 0.0307875000000000 ] - [ -0.0005192300000000, 0.0005053200000000, 0.0000678000000000 ] - [ -0.0016264300000000, -0.0018968800000000, 0.0010847800000000 ] - [ 0.1206137600000000, -0.0087527500000000, -0.0641542700000000 ] - [ -0.0052783400000000, -0.0003428500000000, 0.0010999700000000 ] - [ 0.0019197100000000, -0.0014409200000000, 0.0014694100000000 ] - [ -0.0007289900000000, 0.0002780200000000, -0.0000917200000000 ] - [ -0.0004241300000000, 0.0002564700000000, 0.0002789100000000 ] - [ -0.0014585100000000, 0.0002155600000000, -0.0014252700000000 ] - [ -0.4688912200000000, 0.0000012700000000, 0.0000788300000000 ] - [ 0.0110406700000000, -0.0011293700000000, -0.0007936200000000 ] - [ 0.0022909200000000, -0.0039219600000000, 0.0001753100000000 ] - [ 0.0042470100000000, 0.0050513100000000, 0.0006178000000000 ] - [ 0.0010322300000000, 0.0001262900000000, 0.0017674900000000 ] - [ -0.0008366100000000, -0.0012027300000000, -0.0020386400000000 ] - [ 0.0009645700000000, 0.0000000600000000, 0.0000027600000000 ] - [ -0.0010407600000000, 0.0010813900000000, 0.0002707500000000 ] - [ -0.0010439700000000, 0.0010728600000000, 0.0002741600000000 ] - [ 0.0009638300000000, 0.0000004400000000, -0.0000022200000000 ] - [ -0.0008244000000000, -0.0011962800000000, -0.0020384100000000 ] - [ 0.0010379000000000, 0.0001182700000000, 0.0017650300000000 ] - [ -0.0055960000000000, 0.0035007500000000, 0.0028079000000000 ] - [ 0.0012051800000000, -0.0004086600000000, 0.0000044700000000 ] - [ 0.0072815900000000, -0.0042953600000000, 0.0074503800000000 ] - [ 0.0075663100000000, 0.0108035400000000, -0.0102120800000000 ] - [ -0.0008162300000000, -0.0001735400000000, -0.0000001600000000 ] - [ 0.0008764500000000, 0.0000181300000000, 0.0000554400000000 ] - [ -0.0000776800000000, -0.0004554000000000, -0.0004896600000000 ] - [ -0.0000100000000000, 0.0006072200000000, 0.0004340600000000 ] - [ 0.0075759500000000, 0.0107855600000000, -0.0102450500000000 ] - [ 0.0072941800000000, -0.0042379700000000, 0.0073849800000000 ] - [ 0.0012038700000000, -0.0004159900000000, -0.0000042400000000 ] - [ -0.0056315300000000, 0.0035166400000000, 0.0028133500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0030085700000000, -0.0004737800000000, 0.0034774400000000 ] - [ -0.0642824000000000, 0.0050869800000000, 0.0746153500000000 ] - [ -0.0017823100000000, -0.0014564000000000, 0.0021146500000000 ] - [ -0.0009306500000000, 0.0010175200000000, 0.0014279500000000 ] - [ 0.0365466600000000, 0.0531267000000000, 0.0746153500000000 ] - [ 0.0013465300000000, 0.0002972000000000, 0.0014279500000000 ] - [ -0.0003701300000000, 0.0022717300000000, 0.0021146500000000 ] - [ 0.0010939800000000, 0.0028423800000000, 0.0034774400000000 ] - [ -0.0007583000000000, 0.0002431900000000, -0.0015296600000000 ] - [ 0.0003079300000000, 0.0000240100000000, -0.0003500700000000 ] - [ -0.0001278000000000, 0.0004133000000000, -0.0005926400000000 ] - [ -0.0006270200000000, 0.0021656800000000, -0.0027220800000000 ] - [ -0.0015620300000000, -0.0016258600000000, -0.0027220800000000 ] - [ 0.0001685400000000, -0.0007783100000000, -0.0015296600000000 ] - [ -0.0002940300000000, -0.0003173200000000, -0.0005926400000000 ] - [ -0.0001747600000000, 0.0002546700000000, -0.0003500700000000 ] - [ -0.0001331800000000, -0.0002786800000000, -0.0003500700000000 ] - [ 0.0021890500000000, -0.0005398300000000, -0.0027220800000000 ] - [ 0.0004218200000000, -0.0000959700000000, -0.0005926400000000 ] - [ 0.0005897600000000, 0.0005351100000000, -0.0015296600000000 ] - [ -0.0004158800000000, -0.0013147300000000, 0.0014279500000000 ] - [ 0.0019145900000000, -0.0023686100000000, 0.0034774400000000 ] - [ 0.0021524400000000, -0.0008153300000000, 0.0021146500000000 ] - [ 0.0277357400000000, -0.0582136800000000, 0.0746153500000000 ] - [ 0.0005845600000000, 0.0003113800000000, -0.0007279300000000 ] - [ 0.0015156700000000, 0.0004674100000000, -0.0011898600000000 ] - [ 0.0006587500000000, 0.0002942500000000, -0.0006538400000000 ] - [ 0.0010166900000000, 0.0003747800000000, -0.0008578200000000 ] - [ -0.0003530500000000, -0.0015463100000000, -0.0011898600000000 ] - [ -0.0001837800000000, -0.0010678700000000, -0.0008578200000000 ] - [ -0.0000745500000000, -0.0007176300000000, -0.0006538400000000 ] - [ -0.0000226100000000, -0.0006619400000000, -0.0007279300000000 ] - [ -0.0006524500000000, 0.0009655400000000, -0.0015419900000000 ] - [ -0.0000790600000000, 0.0003132800000000, -0.0010102600000000 ] - [ -0.0000563900000000, 0.0002403900000000, -0.0010820200000000 ] - [ -0.0003278900000000, 0.0005860700000000, -0.0012145300000000 ] - [ -0.0001799900000000, -0.0001690300000000, -0.0010820200000000 ] - [ -0.0002317800000000, -0.0002251100000000, -0.0010102600000000 ] - [ -0.0003436000000000, -0.0005770000000000, -0.0012145300000000 ] - [ -0.0005099600000000, -0.0010478100000000, -0.0015419900000000 ] - [ 0.0006715000000000, -0.0000090700000000, -0.0012145300000000 ] - [ 0.0003108400000000, -0.0000881700000000, -0.0010102600000000 ] - [ 0.0011624100000000, 0.0000822700000000, -0.0015419900000000 ] - [ 0.0002363800000000, -0.0000713600000000, -0.0010820200000000 ] - [ -0.0008329100000000, 0.0006931000000000, -0.0008578200000000 ] - [ -0.0005619500000000, 0.0003505500000000, -0.0007279300000000 ] - [ -0.0005842100000000, 0.0004233700000000, -0.0006538400000000 ] - [ -0.0011626200000000, 0.0010789100000000, -0.0011898600000000 ] - [ 0.0009477000000000, 0.0008991200000000, -0.0011963300000000 ] - [ 0.0007699400000000, 0.0002589100000000, -0.0002429000000000 ] - [ 0.0025229900000000, -0.0001722700000000, -0.0023548600000000 ] - [ 0.0002169600000000, 0.0000793700000000, -0.0000021000000000 ] - [ -0.0000397400000000, -0.0002275800000000, -0.0000021000000000 ] - [ -0.0001607500000000, -0.0007962400000000, -0.0002429000000000 ] - [ 0.0003048100000000, -0.0012702900000000, -0.0011963300000000 ] - [ -0.0014106900000000, -0.0020988300000000, -0.0023548600000000 ] - [ 0.0267130600000000, -0.0555803700000000, 0.0726274500000000 ] - [ 0.0026879800000000, -0.0009744800000000, 0.0017900200000000 ] - [ 0.0024382100000000, -0.0025179700000000, 0.0031462600000000 ] - [ 0.0001100800000000, -0.0014743500000000, 0.0010980800000000 ] - [ 0.0009615200000000, 0.0033705300000000, 0.0031462600000000 ] - [ -0.0005000700000000, 0.0028151000000000, 0.0017900200000000 ] - [ 0.0012217900000000, 0.0008325100000000, 0.0010980800000000 ] - [ 0.0347774800000000, 0.0509243800000000, 0.0726274500000000 ] - [ -0.0013318700000000, 0.0006418500000000, 0.0010980800000000 ] - [ -0.0021879100000000, -0.0018406200000000, 0.0017900200000000 ] - [ -0.0614905400000000, 0.0046559900000000, 0.0726274500000000 ] - [ -0.0033997300000000, -0.0008525600000000, 0.0031462600000000 ] - [ -0.0011123000000000, 0.0022711100000000, -0.0023548600000000 ] - [ -0.0006091900000000, 0.0005373400000000, -0.0002429000000000 ] - [ -0.0001772200000000, 0.0001482100000000, -0.0000021000000000 ] - [ -0.0012525100000000, 0.0003711700000000, -0.0011963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4779504900000000 ] - [ -0.0007940000000000, 0.0002535800000000, -0.0081799000000000 ] - [ 0.0001774000000000, -0.0008144100000000, -0.0081799000000000 ] - [ 0.0006166000000000, 0.0005608400000000, -0.0081799000000000 ] - [ 0.0017675200000000, 0.0013473900000000, 0.0038223500000000 ] - [ -0.0020506400000000, 0.0008570200000000, 0.0038223500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021075400000000 ] - [ 0.0002831200000000, -0.0022044200000000, 0.0038223500000000 ] - [ 0.0002622000000000, -0.0021879600000000, 0.0038187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021125600000000 ] - [ -0.0020259300000000, 0.0008669100000000, 0.0038187100000000 ] - [ 0.0017637300000000, 0.0013210500000000, 0.0038187100000000 ] - [ -0.0025923300000000, 0.0115661400000000, 0.0059195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010495200000000 ] - [ 0.0113127300000000, -0.0035380400000000, 0.0059195100000000 ] - [ -0.0087204000000000, -0.0080280900000000, 0.0059195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035820900000000 ] - [ -0.0000012800000000, -0.0005444100000000, 0.0030864600000000 ] - [ 0.0004721100000000, 0.0002710900000000, 0.0030864600000000 ] - [ -0.0004708300000000, 0.0002733100000000, 0.0030864600000000 ] - [ -0.0086577000000000, -0.0080280600000000, 0.0059174600000000 ] - [ 0.0112813600000000, -0.0034837600000000, 0.0059174600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010409900000000 ] - [ -0.0026236600000000, 0.0115118200000000, 0.0059174600000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000391060, 0.0000000000000000 ] forces: - [ -0.0003809400000000, 0.0006932500000000, 0.0005760800000000 ] - [ 0.0009841500000000, -0.0012608100000000, -0.0009224600000000 ] - [ 0.0054177500000000, 0.0120305400000000, -0.0079451700000000 ] - [ -0.0011123700000000, 0.0001642400000000, 0.0003008700000000 ] - [ 0.0082720500000000, -0.0087062000000000, -0.0062626200000000 ] - [ -0.0008732500000000, -0.0007754300000000, -0.0001898100000000 ] - [ -0.0003291900000000, 0.0014201600000000, -0.0000844600000000 ] - [ -0.0003493600000000, -0.0012281000000000, -0.0001626100000000 ] - [ 0.0249087200000000, 0.0042112400000000, 0.0146870900000000 ] - [ -0.0022718600000000, -0.0009540000000000, 0.0011513500000000 ] - [ 0.0001899800000000, 0.0002301200000000, 0.0000210300000000 ] - [ 0.0003621400000000, -0.0003752000000000, -0.0002280300000000 ] - [ -0.0004600200000000, 0.0019399300000000, -0.0004298100000000 ] - [ -0.0004796200000000, -0.0007141700000000, -0.0005030600000000 ] - [ 0.0082250800000000, -0.0079884100000000, -0.0064348900000000 ] - [ -0.0010074000000000, -0.0002765200000000, -0.0005342600000000 ] - [ -0.0014824000000000, -0.0001954500000000, -0.0000506800000000 ] - [ 0.0049658700000000, 0.0113193900000000, -0.0079745100000000 ] - [ 0.0006201600000000, -0.0016339800000000, -0.0012704100000000 ] - [ -0.0007571500000000, 0.0003233100000000, 0.0002353100000000 ] - [ -0.0028026600000000, -0.0008288400000000, 0.0015237700000000 ] - [ 0.0231584600000000, 0.0044653200000000, 0.0139123400000000 ] - [ -0.0001462200000000, -0.0002284100000000, 0.0001076200000000 ] - [ -0.0003121700000000, 0.0003688100000000, 0.0003627200000000 ] - [ 0.0013956900000000, 0.0007830000000000, -0.0006625500000000 ] - [ -0.0029923700000000, -0.0003148200000000, 0.0023880000000000 ] - [ 0.0007430200000000, 0.0006192200000000, -0.0000689000000000 ] - [ -0.0002540400000000, -0.0001822400000000, 0.0003865400000000 ] - [ -0.0003701100000000, -0.0010196500000000, -0.0009253700000000 ] - [ -0.0000699900000000, 0.0000727200000000, 0.0011186300000000 ] - [ 0.0006779000000000, 0.0015116100000000, 0.0017558600000000 ] - [ 0.0001891200000000, -0.0003766300000000, -0.0000752500000000 ] - [ 0.0004692800000000, -0.0001600300000000, 0.0000360500000000 ] - [ 0.0000439100000000, 0.0000267800000000, -0.0003750100000000 ] - [ 0.0001754200000000, 0.0002069600000000, -0.0005443500000000 ] - [ 0.0004243300000000, -0.0003009900000000, 0.0002137200000000 ] - [ 0.0001265000000000, 0.0003192300000000, -0.0000571700000000 ] - [ -0.0003394600000000, 0.0000949500000000, -0.0003554500000000 ] - [ -0.0000510900000000, 0.0003834800000000, -0.0001255900000000 ] - [ -0.0000761000000000, 0.0001367300000000, -0.0001599100000000 ] - [ 0.0001882900000000, -0.0001985200000000, -0.0005107900000000 ] - [ -0.0005360500000000, -0.0001851200000000, 0.0001738400000000 ] - [ -0.0001396000000000, -0.0000167600000000, -0.0003882100000000 ] - [ -0.0002193800000000, -0.0002873700000000, -0.0000304300000000 ] - [ -0.0034923600000000, 0.0039197200000000, -0.0035978700000000 ] - [ 0.0008426400000000, -0.0009936200000000, 0.0015219600000000 ] - [ 0.0005206000000000, -0.0006763200000000, 0.0000754300000000 ] - [ -0.0006257700000000, 0.0002727900000000, 0.0002161400000000 ] - [ 0.0005385300000000, 0.0001711700000000, -0.0001570000000000 ] - [ -0.0001850600000000, 0.0001841200000000, 0.0005263000000000 ] - [ 0.0002114300000000, 0.0003516400000000, -0.0000361200000000 ] - [ 0.0001308300000000, 0.0000815500000000, 0.0003227500000000 ] - [ 0.0002733200000000, -0.0001693600000000, 0.0002938900000000 ] - [ -0.0001922900000000, -0.0003940500000000, -0.0000056500000000 ] - [ 0.0000960800000000, -0.0001047800000000, 0.0002241500000000 ] - [ 0.0000700000000000, -0.0003517600000000, 0.0001888200000000 ] - [ 0.0010313000000000, -0.0008068900000000, -0.0002685700000000 ] - [ -0.0001077200000000, 0.0001388300000000, -0.0001240100000000 ] - [ -0.0029691400000000, 0.0037907600000000, -0.0039392500000000 ] - [ 0.0013666900000000, -0.0011398300000000, 0.0011879500000000 ] - [ -0.0002088600000000, 0.0005902900000000, 0.0007801600000000 ] - [ -0.0005118800000000, -0.0005024100000000, -0.0012630900000000 ] - [ 0.0000500200000000, 0.0001440100000000, -0.0004109600000000 ] - [ 0.0005216700000000, 0.0020025400000000, 0.0013947500000000 ] - [ 0.0010165000000000, 0.0004030000000000, -0.0010034600000000 ] - [ -0.0033551900000000, -0.0006968800000000, 0.0020383300000000 ] - [ 0.0003681500000000, 0.0002407400000000, -0.0004135300000000 ] - [ -0.0006335200000000, -0.0005603200000000, 0.0000464100000000 ] - [ -0.0000264500000000, -0.0000419400000000, 0.0003882800000000 ] - [ -0.0004518900000000, 0.0001445700000000, -0.0000229700000000 ] - [ -0.0003198500000000, 0.0003241800000000, -0.0001917700000000 ] - [ -0.0000725400000000, -0.0001836100000000, 0.0005642300000000 ] - [ -0.0055894900000000, -0.0031604100000000, -0.0025908000000000 ] - [ 0.0012050100000000, 0.0004057000000000, -0.0000034800000000 ] - [ 0.0072559000000000, -0.0109477000000000, 0.0112515100000000 ] - [ 0.0075493900000000, 0.0041361100000000, -0.0087128400000000 ] - [ 0.0073178700000000, -0.0109673000000000, 0.0113426000000000 ] - [ 0.0075899600000000, 0.0040709300000000, -0.0086648300000000 ] - [ -0.0056408000000000, -0.0032022000000000, -0.0026257700000000 ] - [ 0.0012042400000000, 0.0004202800000000, 0.0000041200000000 ] - [ -0.0008124500000000, 0.0001725900000000, 0.0000003500000000 ] - [ 0.0008786700000000, -0.0000956000000000, -0.0000007400000000 ] - [ -0.0000774100000000, -0.0005704700000000, 0.0004724300000000 ] - [ -0.0000100700000000, 0.0004940700000000, -0.0004705500000000 ] - [ -0.0895790200000000, -0.0000086100000000, -0.0000161500000000 ] - [ 0.0077132200000000, 0.0003486600000000, 0.0002622200000000 ] - [ 0.0011600800000000, -0.0041320200000000, -0.0013683700000000 ] - [ 0.0005565400000000, 0.0037828000000000, 0.0011050200000000 ] - [ -0.0018717300000000, -0.0002468200000000, -0.0000764500000000 ] - [ 0.0026079100000000, -0.0000039100000000, -0.0000024300000000 ] - [ 0.0002674100000000, -0.0009845100000000, -0.0010854300000000 ] - [ -0.0001666800000000, 0.0012355100000000, 0.0011637100000000 ] - [ 0.0002612900000000, -0.0009872700000000, -0.0010844800000000 ] - [ -0.0001609200000000, 0.0012318600000000, 0.0011617100000000 ] - [ -0.0018720400000000, -0.0002475500000000, -0.0000781000000000 ] - [ 0.0026028400000000, 0.0000044200000000, 0.0000024100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001278700000000, 0.0000147000000000, 0.0010278800000000 ] - [ -0.0009760600000000, -0.0010467700000000, 0.0015457500000000 ] - [ -0.0060955200000000, -0.0152131500000000, 0.0111262000000000 ] - [ -0.0010518600000000, -0.0001011800000000, 0.0015997900000000 ] - [ -0.0101272100000000, 0.0128854500000000, 0.0111262000000000 ] - [ -0.0000512100000000, -0.0001180800000000, 0.0010278800000000 ] - [ -0.0004185000000000, 0.0013686800000000, 0.0015457500000000 ] - [ 0.0004383000000000, 0.0009615200000000, 0.0015997900000000 ] - [ 0.0174836200000000, 0.0021119700000000, 0.0110902400000000 ] - [ 0.0019004400000000, -0.0004629500000000, 0.0012068400000000 ] - [ 0.0011213800000000, -0.0010063300000000, 0.0012648600000000 ] - [ 0.0004292600000000, -0.0000401100000000, 0.0006901100000000 ] - [ -0.0005493000000000, 0.0018773000000000, 0.0012068400000000 ] - [ 0.0003108200000000, 0.0014743100000000, 0.0012648600000000 ] - [ -0.0105708300000000, 0.0140852700000000, 0.0110902400000000 ] - [ -0.0001799000000000, 0.0003918000000000, 0.0006901100000000 ] - [ -0.0014321900000000, -0.0004679800000000, 0.0012648600000000 ] - [ -0.0069127900000000, -0.0161972400000000, 0.0110902400000000 ] - [ -0.0013511400000000, -0.0014143600000000, 0.0012068400000000 ] - [ -0.0002493600000000, -0.0003517000000000, 0.0006901100000000 ] - [ 0.0013945600000000, -0.0003219000000000, 0.0015457500000000 ] - [ 0.0162227300000000, 0.0023277000000000, 0.0111262000000000 ] - [ -0.0000766600000000, 0.0001033900000000, 0.0010278800000000 ] - [ 0.0006135500000000, -0.0008603400000000, 0.0015997900000000 ] - [ -0.0005829600000000, 0.0011165500000000, -0.0008973600000000 ] - [ 0.0027514600000000, 0.0004022500000000, -0.0022550200000000 ] - [ 0.0004932200000000, 0.0002195400000000, -0.0004344300000000 ] - [ -0.0003351300000000, 0.0001039200000000, 0.0002145300000000 ] - [ -0.0000564900000000, -0.0005369100000000, -0.0004344300000000 ] - [ 0.0012584400000000, -0.0000534200000000, -0.0008973600000000 ] - [ -0.0010273800000000, -0.0025839600000000, -0.0022550200000000 ] - [ 0.0002575600000000, 0.0002382700000000, 0.0002145300000000 ] - [ -0.0003163100000000, 0.0006046500000000, -0.0013719100000000 ] - [ -0.0002048200000000, 0.0003859700000000, -0.0010247800000000 ] - [ -0.0002221800000000, 0.0006477400000000, -0.0012357700000000 ] - [ -0.0004667400000000, 0.0007274900000000, -0.0014427400000000 ] - [ -0.0003654800000000, -0.0005762500000000, -0.0013719100000000 ] - [ -0.0003966500000000, -0.0007679600000000, -0.0014427400000000 ] - [ -0.0002318500000000, -0.0003703600000000, -0.0010247800000000 ] - [ -0.0004498700000000, -0.0005162800000000, -0.0012357700000000 ] - [ 0.0006817900000000, -0.0000283900000000, -0.0013719100000000 ] - [ 0.0006720500000000, -0.0001314600000000, -0.0012357700000000 ] - [ 0.0008634000000000, 0.0000404700000000, -0.0014427400000000 ] - [ 0.0004366700000000, -0.0000156100000000, -0.0010247800000000 ] - [ -0.0017240900000000, 0.0021817100000000, -0.0022550200000000 ] - [ -0.0004367400000000, 0.0003173700000000, -0.0004344300000000 ] - [ -0.0006754800000000, -0.0010631300000000, -0.0008973600000000 ] - [ 0.0000775700000000, -0.0003421900000000, 0.0002145300000000 ] - [ 0.0010306400000000, 0.0003414100000000, -0.0010171400000000 ] - [ 0.0010197000000000, 0.0002378700000000, -0.0008825800000000 ] - [ 0.0012119400000000, 0.0004104100000000, -0.0010904000000000 ] - [ 0.0007851400000000, 0.0003540300000000, -0.0006725000000000 ] - [ -0.0002196500000000, -0.0010632600000000, -0.0010171400000000 ] - [ -0.0002505500000000, -0.0012547800000000, -0.0010904000000000 ] - [ -0.0000859700000000, -0.0008569700000000, -0.0006725000000000 ] - [ -0.0003038500000000, -0.0010020200000000, -0.0008825800000000 ] - [ -0.0001576200000000, -0.0011789100000000, -0.0012324800000000 ] - [ 0.0005918000000000, -0.0004759500000000, -0.0001293900000000 ] - [ -0.0012094400000000, 0.0020594500000000, -0.0026070300000000 ] - [ 0.0000764300000000, 0.0001831100000000, -0.0007799200000000 ] - [ 0.0010997800000000, 0.0004529500000000, -0.0012324800000000 ] - [ -0.0001968000000000, -0.0000253600000000, -0.0007799200000000 ] - [ 0.0001162800000000, 0.0007504900000000, -0.0001293900000000 ] - [ -0.0011788100000000, -0.0020771300000000, -0.0026070300000000 ] - [ -0.0009421500000000, 0.0007259600000000, -0.0012324800000000 ] - [ 0.0023882500000000, 0.0000176800000000, -0.0026070300000000 ] - [ 0.0001203700000000, -0.0001577500000000, -0.0007799200000000 ] - [ -0.0007080800000000, -0.0002745400000000, -0.0001293900000000 ] - [ -0.0008109900000000, 0.0007218600000000, -0.0010171400000000 ] - [ -0.0006991700000000, 0.0005029400000000, -0.0006725000000000 ] - [ -0.0007158500000000, 0.0007641500000000, -0.0008825800000000 ] - [ -0.0009613900000000, 0.0008443700000000, -0.0010904000000000 ] - [ 0.0028320100000000, 0.0101612900000000, 0.0059243000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010429000000000 ] - [ 0.0073839300000000, -0.0075332300000000, 0.0059243000000000 ] - [ -0.0102159400000000, -0.0026280600000000, 0.0059243000000000 ] - [ 0.0074521000000000, -0.0075234300000000, 0.0059105900000000 ] - [ -0.0102415300000000, -0.0026919900000000, 0.0059105900000000 ] - [ 0.0027894300000000, 0.0102154200000000, 0.0059105900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010484900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035824400000000 ] - [ 0.0000555300000000, 0.0005341000000000, 0.0030869900000000 ] - [ -0.0004903100000000, -0.0002189500000000, 0.0030869900000000 ] - [ 0.0004347700000000, -0.0003151400000000, 0.0030869900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0935873300000000 ] - [ 0.0002633200000000, 0.0014279800000000, -0.0060033000000000 ] - [ -0.0013683300000000, -0.0004859400000000, -0.0060033000000000 ] - [ 0.0011050000000000, -0.0009420300000000, -0.0060033000000000 ] - [ -0.0000788200000000, -0.0013017300000000, 0.0032709400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038197800000000 ] - [ -0.0010879200000000, 0.0007191200000000, 0.0032709400000000 ] - [ 0.0011667400000000, 0.0005826100000000, 0.0032709400000000 ] - [ -0.0010829200000000, 0.0007129200000000, 0.0032680300000000 ] - [ 0.0011588700000000, 0.0005813700000000, 0.0032680300000000 ] - [ -0.0000759500000000, -0.0012942900000000, 0.0032680300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038255500000000 ]