# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/141cee2e-3a4e-418e-a3c1-a2cbcc924542/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 Na3YH12(CO5)3 / P6_3 (173) / materials id 601241](https://mdr.nims.go.jp/datasets/3b7bccd0-ae94-4ded-b604-c28076d295c9) ## 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: "P6_3" number: 173 Hall_symbol: "P 6c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 11.316510490000001, 0.000000000000000, 0.000000000000000 ] # a - [ -5.658255240000000, 9.800385560000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.787637560000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.632105730000000, 0.991633010000000, 0.822343680000000 ] mass: 22.989769 - symbol: Na # 2 coordinates: [ 0.008366990000000, 0.640472720000000, 0.822343680000000 ] mass: 22.989769 - symbol: Na # 3 coordinates: [ 0.359527280000000, 0.367894270000000, 0.822343680000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.367894270000000, 0.008366990000000, 0.322343680000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.640472720000000, 0.632105730000000, 0.322343680000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.991633010000000, 0.359527280000000, 0.322343680000000 ] mass: 22.989769 - symbol: Y # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.085584000000000 ] mass: 88.905850 - symbol: Y # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.585584000000000 ] mass: 88.905850 - symbol: H # 9 coordinates: [ 0.120029510000000, 0.416222560000000, 0.855119730000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.126123740000000, 0.133483070000000, 0.068103750000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.097441680000000, 0.865931310000000, 0.456657000000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.296193050000000, 0.879970490000000, 0.855119730000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.703806950000000, 0.120029510000000, 0.355119730000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.583777440000000, 0.703806950000000, 0.855119730000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.416222560000000, 0.296193050000000, 0.355119730000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.225712040000000, 0.494647030000000, 0.643641050000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.268934970000000, 0.774287960000000, 0.643641050000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.133483070000000, 0.007359330000000, 0.568103750000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.902558320000000, 0.134068690000000, 0.956657000000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.879970490000000, 0.583777440000000, 0.355119730000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.866516930000000, 0.992640670000000, 0.068103750000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.774287960000000, 0.505352970000000, 0.143641050000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.992640670000000, 0.126123740000000, 0.568103750000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.007359330000000, 0.873876260000000, 0.068103750000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.768489630000000, 0.902558320000000, 0.456657000000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.505352970000000, 0.731065030000000, 0.643641050000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.494647030000000, 0.268934970000000, 0.143641050000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.231510370000000, 0.097441680000000, 0.956657000000000 ] mass: 1.007940 - symbol: H # 29 coordinates: [ 0.873876260000000, 0.866516930000000, 0.568103750000000 ] mass: 1.007940 - symbol: H # 30 coordinates: [ 0.731065030000000, 0.225712040000000, 0.143641050000000 ] mass: 1.007940 - symbol: H # 31 coordinates: [ 0.134068690000000, 0.231510370000000, 0.456657000000000 ] mass: 1.007940 - symbol: H # 32 coordinates: [ 0.865931310000000, 0.768489630000000, 0.956657000000000 ] mass: 1.007940 - symbol: C # 33 coordinates: [ 0.118498210000000, 0.678935360000000, 0.317451850000000 ] mass: 12.010700 - symbol: C # 34 coordinates: [ 0.560437150000000, 0.881501790000000, 0.317451850000000 ] mass: 12.010700 - symbol: C # 35 coordinates: [ 0.881501790000000, 0.321064640000000, 0.817451850000000 ] mass: 12.010700 - symbol: C # 36 coordinates: [ 0.321064640000000, 0.439562850000000, 0.317451850000000 ] mass: 12.010700 - symbol: C # 37 coordinates: [ 0.678935360000000, 0.560437150000000, 0.817451850000000 ] mass: 12.010700 - symbol: C # 38 coordinates: [ 0.439562850000000, 0.118498210000000, 0.817451850000000 ] mass: 12.010700 - symbol: O # 39 coordinates: [ 0.665847110000000, 0.972375460000000, 0.427012520000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.269272980000000, 0.780861450000000, 0.817972300000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.911632270000000, 0.410992930000000, 0.657692890000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.499360650000000, 0.088367730000000, 0.657692890000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.511588470000000, 0.730727020000000, 0.817972300000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.509896840000000, 0.751940640000000, 0.365159920000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.589007070000000, 0.500639350000000, 0.657692890000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.488411530000000, 0.269272980000000, 0.317972300000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.967029860000000, 0.817020020000000, 0.931083940000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.972375460000000, 0.306528360000000, 0.927012520000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.757956200000000, 0.509896840000000, 0.865159920000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.730727020000000, 0.219138550000000, 0.317972300000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.693471640000000, 0.665847110000000, 0.927012520000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.027624540000000, 0.693471640000000, 0.427012520000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.248059360000000, 0.757956200000000, 0.365159920000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.410992930000000, 0.499360650000000, 0.157692890000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.849990160000000, 0.032970140000000, 0.931083940000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.817020020000000, 0.849990160000000, 0.431083940000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.242043800000000, 0.490103160000000, 0.365159920000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.751940640000000, 0.242043800000000, 0.865159920000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.306528360000000, 0.334152890000000, 0.427012520000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.219138550000000, 0.488411530000000, 0.817972300000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.490103160000000, 0.248059360000000, 0.865159920000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.500639350000000, 0.911632270000000, 0.157692890000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.088367730000000, 0.589007070000000, 0.157692890000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.780861450000000, 0.511588470000000, 0.317972300000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.150009840000000, 0.967029860000000, 0.431083940000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.032970140000000, 0.182979980000000, 0.431083940000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.182979980000000, 0.150009840000000, 0.931083940000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.334152890000000, 0.027624540000000, 0.927012520000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.088366462513658, 0.051018400908522, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.102036801907210, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.172782070340977 ] # c*unit_cell: lattice: - [ 11.316510490000001, 0.000000000000000, 0.000000000000000 ] # a - [ -5.658255240000000, 9.800385560000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.787637560000000 ] # c points: - symbol: Na # 1 coordinates: [ 0.632105730000000, 0.991633010000000, 0.822343680000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.008366990000000, 0.640472720000000, 0.822343680000000 ] mass: 22.989769 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.359527280000000, 0.367894270000000, 0.822343680000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.367894270000000, 0.008366990000000, 0.322343680000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.640472720000000, 0.632105730000000, 0.322343680000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.991633010000000, 0.359527280000000, 0.322343680000000 ] mass: 22.989769 reduced_to: 6 - symbol: Y # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.085584000000000 ] mass: 88.905850 reduced_to: 7 - symbol: Y # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.585584000000000 ] mass: 88.905850 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.120029510000000, 0.416222560000000, 0.855119730000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.126123740000000, 0.133483070000000, 0.068103750000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.097441680000000, 0.865931310000000, 0.456657000000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.296193050000000, 0.879970490000000, 0.855119730000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.703806950000000, 0.120029510000000, 0.355119730000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.583777440000000, 0.703806950000000, 0.855119730000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.416222560000000, 0.296193050000000, 0.355119730000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.225712040000000, 0.494647030000000, 0.643641050000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.268934970000000, 0.774287960000000, 0.643641050000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.133483070000000, 0.007359330000000, 0.568103750000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.902558320000000, 0.134068690000000, 0.956657000000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.879970490000000, 0.583777440000000, 0.355119730000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.866516930000000, 0.992640670000000, 0.068103750000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.774287960000000, 0.505352970000000, 0.143641050000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.992640670000000, 0.126123740000000, 0.568103750000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.007359330000000, 0.873876260000000, 0.068103750000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.768489630000000, 0.902558320000000, 0.456657000000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.505352970000000, 0.731065030000000, 0.643641050000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.494647030000000, 0.268934970000000, 0.143641050000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.231510370000000, 0.097441680000000, 0.956657000000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.873876260000000, 0.866516930000000, 0.568103750000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.731065030000000, 0.225712040000000, 0.143641050000000 ] mass: 1.007940 reduced_to: 30 - symbol: H # 31 coordinates: [ 0.134068690000000, 0.231510370000000, 0.456657000000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.865931310000000, 0.768489630000000, 0.956657000000000 ] mass: 1.007940 reduced_to: 32 - symbol: C # 33 coordinates: [ 0.118498210000000, 0.678935360000000, 0.317451850000000 ] mass: 12.010700 reduced_to: 33 - symbol: C # 34 coordinates: [ 0.560437150000000, 0.881501790000000, 0.317451850000000 ] mass: 12.010700 reduced_to: 34 - symbol: C # 35 coordinates: [ 0.881501790000000, 0.321064640000000, 0.817451850000000 ] mass: 12.010700 reduced_to: 35 - symbol: C # 36 coordinates: [ 0.321064640000000, 0.439562850000000, 0.317451850000000 ] mass: 12.010700 reduced_to: 36 - symbol: C # 37 coordinates: [ 0.678935360000000, 0.560437150000000, 0.817451850000000 ] mass: 12.010700 reduced_to: 37 - symbol: C # 38 coordinates: [ 0.439562850000000, 0.118498210000000, 0.817451850000000 ] mass: 12.010700 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.665847110000000, 0.972375460000000, 0.427012520000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.269272980000000, 0.780861450000000, 0.817972300000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.911632270000000, 0.410992930000000, 0.657692890000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.499360650000000, 0.088367730000000, 0.657692890000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.511588470000000, 0.730727020000000, 0.817972300000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.509896840000000, 0.751940640000000, 0.365159920000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.589007070000000, 0.500639350000000, 0.657692890000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.488411530000000, 0.269272980000000, 0.317972300000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.967029860000000, 0.817020020000000, 0.931083940000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.972375460000000, 0.306528360000000, 0.927012520000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.757956200000000, 0.509896840000000, 0.865159920000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.730727020000000, 0.219138550000000, 0.317972300000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.693471640000000, 0.665847110000000, 0.927012520000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.027624540000000, 0.693471640000000, 0.427012520000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.248059360000000, 0.757956200000000, 0.365159920000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.410992930000000, 0.499360650000000, 0.157692890000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.849990160000000, 0.032970140000000, 0.931083940000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.817020020000000, 0.849990160000000, 0.431083940000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.242043800000000, 0.490103160000000, 0.365159920000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.751940640000000, 0.242043800000000, 0.865159920000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.306528360000000, 0.334152890000000, 0.427012520000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.219138550000000, 0.488411530000000, 0.817972300000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.490103160000000, 0.248059360000000, 0.865159920000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.500639350000000, 0.911632270000000, 0.157692890000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.088367730000000, 0.589007070000000, 0.157692890000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.780861450000000, 0.511588470000000, 0.317972300000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.150009840000000, 0.967029860000000, 0.431083940000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.032970140000000, 0.182979980000000, 0.431083940000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.182979980000000, 0.150009840000000, 0.931083940000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.334152890000000, 0.027624540000000, 0.927012520000000 ] mass: 15.999400 reduced_to: 68supercell: lattice: - [ 11.316510490000001, 0.000000000000000, 0.000000000000000 ] # a - [ -5.658255240000000, 9.800385560000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.575275120000001 ] # c points: - symbol: Na # 1 coordinates: [ 0.632105730000000, 0.991633010000000, 0.411171840000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 2 coordinates: [ 0.632105730000000, 0.991633010000000, 0.911171840000000 ] mass: 22.989769 reduced_to: 1 - symbol: Na # 3 coordinates: [ 0.008366990000000, 0.640472720000000, 0.411171840000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.008366990000000, 0.640472720000000, 0.911171840000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.359527280000000, 0.367894270000000, 0.411171840000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.359527280000000, 0.367894270000000, 0.911171840000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.367894270000000, 0.008366990000000, 0.161171840000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.367894270000000, 0.008366990000000, 0.661171840000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.640472720000000, 0.632105730000000, 0.161171840000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.640472720000000, 0.632105730000000, 0.661171840000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.991633010000000, 0.359527280000000, 0.161171840000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.991633010000000, 0.359527280000000, 0.661171840000000 ] mass: 22.989769 reduced_to: 11 - symbol: Y # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.042792000000000 ] mass: 88.905850 reduced_to: 13 - symbol: Y # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.542792000000000 ] mass: 88.905850 reduced_to: 13 - symbol: Y # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.292792000000000 ] mass: 88.905850 reduced_to: 15 - symbol: Y # 16 coordinates: [ 0.666666670000000, 0.333333330000000, 0.792792000000000 ] mass: 88.905850 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.120029510000000, 0.416222560000000, 0.427559865000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.120029510000000, 0.416222560000000, 0.927559865000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.126123740000000, 0.133483070000000, 0.034051875000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.126123740000000, 0.133483070000000, 0.534051875000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.097441680000000, 0.865931310000000, 0.228328500000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.097441680000000, 0.865931310000000, 0.728328500000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.296193050000000, 0.879970490000000, 0.427559865000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.296193050000000, 0.879970490000000, 0.927559865000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 25 coordinates: [ 0.703806950000000, 0.120029510000000, 0.177559865000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.703806950000000, 0.120029510000000, 0.677559865000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.583777440000000, 0.703806950000000, 0.427559865000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.583777440000000, 0.703806950000000, 0.927559865000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 29 coordinates: [ 0.416222560000000, 0.296193050000000, 0.177559865000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.416222560000000, 0.296193050000000, 0.677559865000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.225712040000000, 0.494647030000000, 0.321820525000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.225712040000000, 0.494647030000000, 0.821820525000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.268934970000000, 0.774287960000000, 0.321820525000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.268934970000000, 0.774287960000000, 0.821820525000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.133483070000000, 0.007359330000000, 0.284051875000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.133483070000000, 0.007359330000000, 0.784051875000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 37 coordinates: [ 0.902558320000000, 0.134068690000000, 0.478328500000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.902558320000000, 0.134068690000000, 0.978328500000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.879970490000000, 0.583777440000000, 0.177559865000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.879970490000000, 0.583777440000000, 0.677559865000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 41 coordinates: [ 0.866516930000000, 0.992640670000000, 0.034051875000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.866516930000000, 0.992640670000000, 0.534051875000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.774287960000000, 0.505352970000000, 0.071820525000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.774287960000000, 0.505352970000000, 0.571820525000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.992640670000000, 0.126123740000000, 0.284051875000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.992640670000000, 0.126123740000000, 0.784051875000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.007359330000000, 0.873876260000000, 0.034051875000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.007359330000000, 0.873876260000000, 0.534051875000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 49 coordinates: [ 0.768489630000000, 0.902558320000000, 0.228328500000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.768489630000000, 0.902558320000000, 0.728328500000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.505352970000000, 0.731065030000000, 0.321820525000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.505352970000000, 0.731065030000000, 0.821820525000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 53 coordinates: [ 0.494647030000000, 0.268934970000000, 0.071820525000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.494647030000000, 0.268934970000000, 0.571820525000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.231510370000000, 0.097441680000000, 0.478328500000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.231510370000000, 0.097441680000000, 0.978328500000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.873876260000000, 0.866516930000000, 0.284051875000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.873876260000000, 0.866516930000000, 0.784051875000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.731065030000000, 0.225712040000000, 0.071820525000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.731065030000000, 0.225712040000000, 0.571820525000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 61 coordinates: [ 0.134068690000000, 0.231510370000000, 0.228328500000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.134068690000000, 0.231510370000000, 0.728328500000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.865931310000000, 0.768489630000000, 0.478328500000000 ] mass: 1.007940 reduced_to: 63 - symbol: H # 64 coordinates: [ 0.865931310000000, 0.768489630000000, 0.978328500000000 ] mass: 1.007940 reduced_to: 63 - symbol: C # 65 coordinates: [ 0.118498210000000, 0.678935360000000, 0.158725925000000 ] mass: 12.010700 reduced_to: 65 - symbol: C # 66 coordinates: [ 0.118498210000000, 0.678935360000000, 0.658725925000000 ] mass: 12.010700 reduced_to: 65 - symbol: C # 67 coordinates: [ 0.560437150000000, 0.881501790000000, 0.158725925000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 68 coordinates: [ 0.560437150000000, 0.881501790000000, 0.658725925000000 ] mass: 12.010700 reduced_to: 67 - symbol: C # 69 coordinates: [ 0.881501790000000, 0.321064640000000, 0.408725925000000 ] mass: 12.010700 reduced_to: 69 - symbol: C # 70 coordinates: [ 0.881501790000000, 0.321064640000000, 0.908725925000000 ] mass: 12.010700 reduced_to: 69 - symbol: C # 71 coordinates: [ 0.321064640000000, 0.439562850000000, 0.158725925000000 ] mass: 12.010700 reduced_to: 71 - symbol: C # 72 coordinates: [ 0.321064640000000, 0.439562850000000, 0.658725925000000 ] mass: 12.010700 reduced_to: 71 - symbol: C # 73 coordinates: [ 0.678935360000000, 0.560437150000000, 0.408725925000000 ] mass: 12.010700 reduced_to: 73 - symbol: C # 74 coordinates: [ 0.678935360000000, 0.560437150000000, 0.908725925000000 ] mass: 12.010700 reduced_to: 73 - symbol: C # 75 coordinates: [ 0.439562850000000, 0.118498210000000, 0.408725925000000 ] mass: 12.010700 reduced_to: 75 - symbol: C # 76 coordinates: [ 0.439562850000000, 0.118498210000000, 0.908725925000000 ] mass: 12.010700 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.665847110000000, 0.972375460000000, 0.213506260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.665847110000000, 0.972375460000000, 0.713506260000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.269272980000000, 0.780861450000000, 0.408986150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.269272980000000, 0.780861450000000, 0.908986150000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.911632270000000, 0.410992930000000, 0.328846445000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.911632270000000, 0.410992930000000, 0.828846445000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.499360650000000, 0.088367730000000, 0.328846445000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.499360650000000, 0.088367730000000, 0.828846445000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.511588470000000, 0.730727020000000, 0.408986150000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.511588470000000, 0.730727020000000, 0.908986150000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.509896840000000, 0.751940640000000, 0.182579960000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.509896840000000, 0.751940640000000, 0.682579960000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.589007070000000, 0.500639350000000, 0.328846445000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.589007070000000, 0.500639350000000, 0.828846445000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.488411530000000, 0.269272980000000, 0.158986150000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.488411530000000, 0.269272980000000, 0.658986150000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.967029860000000, 0.817020020000000, 0.465541970000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.967029860000000, 0.817020020000000, 0.965541970000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.972375460000000, 0.306528360000000, 0.463506260000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.972375460000000, 0.306528360000000, 0.963506260000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.757956200000000, 0.509896840000000, 0.432579960000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.757956200000000, 0.509896840000000, 0.932579960000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.730727020000000, 0.219138550000000, 0.158986150000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.730727020000000, 0.219138550000000, 0.658986150000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.693471640000000, 0.665847110000000, 0.463506260000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.693471640000000, 0.665847110000000, 0.963506260000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.027624540000000, 0.693471640000000, 0.213506260000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.027624540000000, 0.693471640000000, 0.713506260000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.248059360000000, 0.757956200000000, 0.182579960000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.248059360000000, 0.757956200000000, 0.682579960000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.410992930000000, 0.499360650000000, 0.078846445000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.410992930000000, 0.499360650000000, 0.578846445000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.849990160000000, 0.032970140000000, 0.465541970000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.849990160000000, 0.032970140000000, 0.965541970000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.817020020000000, 0.849990160000000, 0.215541970000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.817020020000000, 0.849990160000000, 0.715541970000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.242043800000000, 0.490103160000000, 0.182579960000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.242043800000000, 0.490103160000000, 0.682579960000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.751940640000000, 0.242043800000000, 0.432579960000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.751940640000000, 0.242043800000000, 0.932579960000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.306528360000000, 0.334152890000000, 0.213506260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.306528360000000, 0.334152890000000, 0.713506260000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.219138550000000, 0.488411530000000, 0.408986150000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.219138550000000, 0.488411530000000, 0.908986150000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 121 coordinates: [ 0.490103160000000, 0.248059360000000, 0.432579960000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.490103160000000, 0.248059360000000, 0.932579960000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.500639350000000, 0.911632270000000, 0.078846445000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.500639350000000, 0.911632270000000, 0.578846445000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 125 coordinates: [ 0.088367730000000, 0.589007070000000, 0.078846445000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.088367730000000, 0.589007070000000, 0.578846445000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.780861450000000, 0.511588470000000, 0.158986150000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.780861450000000, 0.511588470000000, 0.658986150000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.150009840000000, 0.967029860000000, 0.215541970000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.150009840000000, 0.967029860000000, 0.715541970000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.032970140000000, 0.182979980000000, 0.215541970000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.032970140000000, 0.182979980000000, 0.715541970000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 133 coordinates: [ 0.182979980000000, 0.150009840000000, 0.465541970000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.182979980000000, 0.150009840000000, 0.965541970000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.334152890000000, 0.027624540000000, 0.463506260000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.334152890000000, 0.027624540000000, 0.963506260000000 ] mass: 15.999400 reduced_to: 135displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0298489200000000, -0.0018353100000000, 0.0022059700000000 ] - [ 0.0001925500000000, 0.0003458500000000, 0.0000202600000000 ] - [ 0.0000377300000000, 0.0005005800000000, 0.0001929400000000 ] - [ -0.0004034800000000, 0.0001798800000000, 0.0002087200000000 ] - [ 0.0006359300000000, -0.0008690200000000, 0.0003183300000000 ] - [ 0.0001989400000000, -0.0005502000000000, 0.0001879000000000 ] - [ 0.0001792700000000, -0.0001574900000000, 0.0016020600000000 ] - [ 0.0001804300000000, -0.0002834100000000, -0.0010034100000000 ] - [ -0.0001344800000000, -0.0000069200000000, -0.0000125800000000 ] - [ -0.0002637000000000, 0.0001233200000000, 0.0004569400000000 ] - [ 0.0003898700000000, 0.0002777300000000, -0.0000821800000000 ] - [ 0.0004031100000000, 0.0003396500000000, 0.0005624000000000 ] - [ -0.0005929800000000, 0.0000453300000000, -0.0003511200000000 ] - [ -0.0009958200000000, 0.0035415400000000, -0.0012344300000000 ] - [ -0.0021871300000000, -0.0041986600000000, 0.0009190900000000 ] - [ -0.0005482700000000, -0.0003956800000000, -0.0006740200000000 ] - [ 0.0010863800000000, 0.0009499700000000, 0.0001418000000000 ] - [ 0.0003884800000000, 0.0003142400000000, 0.0003285500000000 ] - [ -0.0006005400000000, 0.0003468700000000, -0.0004704500000000 ] - [ -0.0000450800000000, 0.0006657300000000, -0.0001210000000000 ] - [ 0.0004655600000000, -0.0003153900000000, -0.0005704300000000 ] - [ 0.0003216700000000, -0.0003983100000000, -0.0006207700000000 ] - [ 0.0016046100000000, 0.0006924600000000, 0.0003430200000000 ] - [ -0.0000043400000000, -0.0003374400000000, 0.0003575000000000 ] - [ -0.0011885800000000, 0.0014189900000000, 0.0000467900000000 ] - [ -0.0006529800000000, 0.0002686700000000, 0.0005184300000000 ] - [ -0.0008146400000000, -0.0019362600000000, 0.0001115500000000 ] - [ -0.0004723400000000, 0.0001657100000000, 0.0002976300000000 ] - [ 0.0008793000000000, -0.0004182600000000, 0.0003108000000000 ] - [ 0.0008643500000000, -0.0003375800000000, 0.0002247700000000 ] - [ -0.0000139700000000, 0.0004246400000000, 0.0002990000000000 ] - [ 0.0000763300000000, 0.0003752900000000, 0.0001886500000000 ] - [ 0.0008446200000000, 0.0004596900000000, 0.0016988100000000 ] - [ 0.0002764300000000, -0.0002051800000000, 0.0000713900000000 ] - [ 0.0004963600000000, 0.0008576100000000, -0.0002699100000000 ] - [ 0.0000260300000000, 0.0008053300000000, -0.0003145600000000 ] - [ 0.0013941800000000, 0.0046788200000000, -0.0003746600000000 ] - [ -0.0002454800000000, 0.0005371000000000, -0.0006858600000000 ] - [ -0.0002026200000000, -0.0001510900000000, 0.0003096000000000 ] - [ -0.0002028600000000, -0.0001502800000000, 0.0003797000000000 ] - [ 0.0001240800000000, -0.0007874000000000, -0.0006282000000000 ] - [ 0.0016276000000000, -0.0011283600000000, -0.0001886500000000 ] - [ -0.0000380900000000, -0.0003201600000000, 0.0003367600000000 ] - [ -0.0000715500000000, -0.0004202200000000, 0.0003693600000000 ] - [ 0.0004005800000000, 0.0000726700000000, -0.0011014100000000 ] - [ -0.0006946500000000, -0.0004648600000000, -0.0002957500000000 ] - [ 0.0008728700000000, 0.0005139700000000, -0.0003809800000000 ] - [ 0.0012619300000000, 0.0004212500000000, -0.0001704300000000 ] - [ -0.0001265600000000, -0.0004827100000000, -0.0026174700000000 ] - [ -0.0010504800000000, 0.0000370500000000, -0.0002158000000000 ] - [ -0.0013483200000000, -0.0000946400000000, 0.0001533100000000 ] - [ -0.0003795400000000, -0.0000975300000000, -0.0001587300000000 ] - [ 0.0002444200000000, 0.0001858700000000, 0.0005616800000000 ] - [ 0.0005141900000000, -0.0002750200000000, -0.0010770600000000 ] - [ 0.0023164400000000, -0.0007385500000000, -0.0008256000000000 ] - [ 0.0005985100000000, -0.0000539000000000, -0.0006114900000000 ] - [ 0.0017702300000000, -0.0007573000000000, -0.0006416200000000 ] - [ 0.0009686900000000, -0.0003333800000000, -0.0003768900000000 ] - [ -0.0001959100000000, 0.0002362500000000, 0.0002785500000000 ] - [ -0.0013244400000000, -0.0000952300000000, 0.0004541000000000 ] - [ 0.0008681500000000, 0.0007459300000000, -0.0005436900000000 ] - [ 0.0005710700000000, 0.0006033200000000, -0.0007216200000000 ] - [ 0.0001189500000000, -0.0009019000000000, -0.0004743000000000 ] - [ -0.0001698400000000, -0.0004489900000000, -0.0006918900000000 ] - [ 0.0008928500000000, 0.0010377500000000, -0.0002617300000000 ] - [ 0.0008387200000000, 0.0006090600000000, -0.0005911300000000 ] - [ -0.0024052700000000, -0.0018218800000000, -0.0012325100000000 ] - [ -0.0049168400000000, -0.0003393600000000, -0.0040370800000000 ] - [ -0.0028599600000000, 0.0017244100000000, -0.0019612300000000 ] - [ -0.0003778000000000, -0.0002436600000000, -0.0006547500000000 ] - [ -0.0002120900000000, -0.0001705700000000, -0.0005515700000000 ] - [ -0.0002371800000000, 0.0000294600000000, -0.0005916000000000 ] - [ 0.0008952200000000, -0.0016742700000000, -0.0016261500000000 ] - [ 0.0003928100000000, -0.0002535100000000, -0.0007006500000000 ] - [ 0.0078049600000000, -0.0052297400000000, -0.0055434800000000 ] - [ -0.0001124500000000, 0.0001837300000000, -0.0006707400000000 ] - [ 0.0024817500000000, 0.0006846500000000, -0.0014462000000000 ] - [ 0.0026218700000000, 0.0017602100000000, 0.0012549400000000 ] - [ -0.0022167700000000, -0.0024265800000000, -0.0000690500000000 ] - [ -0.0006035500000000, -0.0002594100000000, 0.0003208600000000 ] - [ 0.0008284000000000, -0.0000792300000000, 0.0011848300000000 ] - [ 0.0000638900000000, 0.0001652000000000, 0.0004738700000000 ] - [ 0.0016340700000000, 0.0011016800000000, 0.0028196700000000 ] - [ 0.0003302500000000, 0.0000022100000000, 0.0006541500000000 ] - [ 0.0034736600000000, 0.0017448900000000, 0.0002090200000000 ] - [ 0.0002878300000000, 0.0006963900000000, 0.0005153600000000 ] - [ 0.0009857800000000, 0.0012648600000000, 0.0000266800000000 ] - [ 0.0016142100000000, -0.0013431200000000, 0.0010174000000000 ] - [ -0.0000985600000000, 0.0008233800000000, 0.0008080300000000 ] - [ -0.0001200200000000, 0.0000120400000000, 0.0005178900000000 ] - [ -0.0004959100000000, -0.0001694700000000, -0.0004267400000000 ] - [ -0.0003716500000000, -0.0002281400000000, 0.0013227900000000 ] - [ -0.0007743700000000, 0.0014701100000000, 0.0001371400000000 ] - [ 0.0000610200000000, 0.0010058300000000, 0.0003577500000000 ] - [ 0.0020135400000000, -0.0023032900000000, 0.0008843600000000 ] - [ 0.0003674200000000, 0.0001047300000000, 0.0002505700000000 ] - [ -0.0004877200000000, 0.0011040700000000, 0.0000011700000000 ] - [ -0.0001745000000000, 0.0004848300000000, -0.0002331800000000 ] - [ 0.0015947000000000, -0.0004097000000000, 0.0000611900000000 ] - [ 0.0016043300000000, 0.0004572400000000, 0.0000045800000000 ] - [ -0.0005188600000000, 0.0015616900000000, 0.0006672900000000 ] - [ -0.0003451800000000, 0.0002648700000000, 0.0003047700000000 ] - [ -0.0005772800000000, -0.0004083700000000, 0.0001010700000000 ] - [ -0.0006301300000000, -0.0002660500000000, 0.0002255400000000 ] - [ -0.0008418800000000, -0.0005076000000000, -0.0011328100000000 ] - [ -0.0007565100000000, -0.0004212000000000, 0.0000052600000000 ] - [ 0.0001693400000000, 0.0002642000000000, 0.0004808500000000 ] - [ 0.0002258900000000, 0.0001360600000000, 0.0004061200000000 ] - [ 0.0117530300000000, 0.0001247200000000, 0.0050346700000000 ] - [ 0.0007259400000000, -0.0008169900000000, 0.0005046300000000 ] - [ 0.0004858300000000, 0.0007213000000000, 0.0014530900000000 ] - [ 0.0009998100000000, 0.0005082900000000, -0.0003371000000000 ] - [ 0.0000430400000000, -0.0004395900000000, -0.0002293700000000 ] - [ 0.0000098300000000, -0.0006306700000000, -0.0001081300000000 ] - [ 0.0033720400000000, -0.0008439000000000, -0.0001522800000000 ] - [ 0.0005411400000000, -0.0000796800000000, -0.0001783800000000 ] - [ -0.0002381000000000, -0.0001195900000000, 0.0001107800000000 ] - [ -0.0000399600000000, -0.0001292200000000, 0.0002362700000000 ] - [ 0.0002022700000000, -0.0012552100000000, 0.0000747300000000 ] - [ 0.0004693800000000, -0.0005688900000000, 0.0002516500000000 ] - [ -0.0011995500000000, 0.0036355600000000, 0.0015630400000000 ] - [ -0.0002805700000000, -0.0001978900000000, -0.0003589100000000 ] - [ 0.0015160900000000, 0.0002634100000000, 0.0015249700000000 ] - [ 0.0047791500000000, 0.0011889900000000, -0.0026250500000000 ] - [ -0.0000103100000000, -0.0007288900000000, 0.0001173900000000 ] - [ -0.0001539800000000, -0.0006472500000000, 0.0005086600000000 ] - [ -0.0005588000000000, 0.0007120000000000, -0.0000574300000000 ] - [ -0.0005398600000000, 0.0005848500000000, 0.0000844500000000 ] - [ -0.0015243200000000, 0.0005726900000000, 0.0000532000000000 ] - [ -0.0010799800000000, 0.0007067200000000, 0.0003532700000000 ] - [ -0.0012242800000000, -0.0015714100000000, 0.0007817000000000 ] - [ -0.0006325400000000, -0.0013169200000000, -0.0000166900000000 ] - [ -0.0029323800000000, -0.0000510200000000, 0.0002973000000000 ] - [ -0.0011896600000000, -0.0002214500000000, 0.0003510200000000 ] - [ -0.0027435800000000, -0.0004247100000000, 0.0014595400000000 ] - [ 0.0000200300000000, -0.0002983000000000, 0.0000710500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0301199200000000, 0.0022339400000000, -0.0020291200000000 ] - [ 0.0006125500000000, 0.0003399900000000, 0.0004138300000000 ] - [ -0.0010285800000000, -0.0001599200000000, 0.0002385500000000 ] - [ -0.0005849500000000, 0.0001655100000000, 0.0002224300000000 ] - [ -0.0004447300000000, -0.0001998900000000, 0.0001271800000000 ] - [ -0.0000067800000000, -0.0005219500000000, 0.0002576500000000 ] - [ -0.0009839000000000, -0.0005277700000000, -0.0011771300000000 ] - [ -0.0009825700000000, -0.0004037900000000, 0.0014462600000000 ] - [ -0.0000602300000000, 0.0010796700000000, 0.0004573800000000 ] - [ 0.0000702900000000, 0.0009504500000000, -0.0000105200000000 ] - [ 0.0005995900000000, -0.0006222700000000, 0.0005132300000000 ] - [ 0.0005867100000000, -0.0006846100000000, -0.0001309500000000 ] - [ 0.0006058100000000, -0.0000404500000000, -0.0002822300000000 ] - [ 0.0010281600000000, -0.0035439900000000, 0.0006058100000000 ] - [ 0.0022066100000000, 0.0042036800000000, -0.0015566900000000 ] - [ 0.0005526800000000, 0.0003949500000000, 0.0000385900000000 ] - [ -0.0004308600000000, -0.0005519000000000, 0.0005504300000000 ] - [ 0.0002669100000000, 0.0000834500000000, 0.0003636900000000 ] - [ -0.0009296000000000, 0.0003503900000000, -0.0002518200000000 ] - [ -0.0014861500000000, 0.0000310100000000, -0.0005991500000000 ] - [ -0.0000582300000000, -0.0003360400000000, -0.0006879800000000 ] - [ 0.0000859800000000, -0.0002518800000000, -0.0006365000000000 ] - [ -0.0016062800000000, -0.0014686100000000, 0.0003506500000000 ] - [ 0.0000237500000000, -0.0004295000000000, 0.0003349800000000 ] - [ 0.0011733000000000, -0.0006653400000000, 0.0006577400000000 ] - [ 0.0006352100000000, 0.0004943800000000, 0.0001699100000000 ] - [ 0.0001218800000000, 0.0023025700000000, 0.0005775500000000 ] - [ -0.0002014600000000, 0.0002029300000000, 0.0003938900000000 ] - [ -0.0002066700000000, 0.0000504900000000, 0.0003804900000000 ] - [ -0.0001930100000000, -0.0000298300000000, 0.0004675800000000 ] - [ 0.0001246400000000, 0.0002372300000000, 0.0002671000000000 ] - [ 0.0000335900000000, 0.0002866000000000, 0.0003773600000000 ] - [ -0.0003272800000000, -0.0008914300000000, -0.0011460200000000 ] - [ 0.0002450800000000, -0.0002206200000000, 0.0004941900000000 ] - [ -0.0006584700000000, 0.0008164400000000, -0.0004519400000000 ] - [ -0.0001876800000000, 0.0008687300000000, -0.0004067300000000 ] - [ -0.0017723200000000, -0.0040001100000000, -0.0008718400000000 ] - [ -0.0001606600000000, 0.0001117300000000, -0.0005717900000000 ] - [ -0.0004520200000000, -0.0002487900000000, 0.0003824200000000 ] - [ -0.0004513100000000, -0.0002485700000000, 0.0003127600000000 ] - [ 0.0000375600000000, -0.0008858900000000, -0.0000943700000000 ] - [ -0.0014168900000000, -0.0005237700000000, -0.0005358300000000 ] - [ -0.0000700400000000, -0.0003422500000000, 0.0002284100000000 ] - [ -0.0000358000000000, -0.0002424600000000, 0.0001975400000000 ] - [ -0.0017610800000000, -0.0010473600000000, 0.0003779100000000 ] - [ -0.0006730300000000, -0.0005135700000000, -0.0004254900000000 ] - [ 0.0004961300000000, 0.0004641400000000, -0.0003417400000000 ] - [ 0.0001067000000000, 0.0005570400000000, -0.0005497300000000 ] - [ -0.0006531800000000, 0.0004537700000000, 0.0013406400000000 ] - [ 0.0002794500000000, -0.0000643600000000, -0.0010410500000000 ] - [ 0.0007231300000000, -0.0001264400000000, 0.0004243800000000 ] - [ -0.0002464000000000, -0.0001400800000000, 0.0007216300000000 ] - [ 0.0003834600000000, 0.0000520800000000, 0.0000030200000000 ] - [ 0.0001133500000000, 0.0005155500000000, 0.0016477200000000 ] - [ -0.0015581500000000, 0.0007707400000000, -0.0004310000000000 ] - [ 0.0001690500000000, 0.0000823200000000, -0.0006467300000000 ] - [ -0.0002303900000000, 0.0000568300000000, -0.0000816500000000 ] - [ 0.0005634500000000, -0.0003637500000000, -0.0003445600000000 ] - [ -0.0003233500000000, 0.0001892700000000, 0.0002893200000000 ] - [ 0.0008086000000000, 0.0005122800000000, 0.0001002500000000 ] - [ -0.0005055000000000, -0.0000664800000000, -0.0007130200000000 ] - [ -0.0002109500000000, 0.0000744200000000, -0.0005357700000000 ] - [ -0.0004770000000000, 0.0002203100000000, -0.0007818900000000 ] - [ -0.0001891800000000, -0.0002291700000000, -0.0005660400000000 ] - [ -0.0008584500000000, -0.0004544200000000, -0.0007546800000000 ] - [ -0.0008022600000000, -0.0000201000000000, -0.0004199200000000 ] - [ 0.0029389400000000, 0.0015246700000000, 0.0002612100000000 ] - [ 0.0053858300000000, 0.0000340100000000, 0.0029865900000000 ] - [ 0.0027792400000000, -0.0023297100000000, 0.0009499100000000 ] - [ 0.0003421900000000, -0.0003460300000000, -0.0003578900000000 ] - [ -0.0003069800000000, -0.0000955100000000, -0.0004627800000000 ] - [ -0.0002812000000000, -0.0002973700000000, -0.0004217200000000 ] - [ -0.0003743900000000, 0.0019432200000000, 0.0006127300000000 ] - [ 0.0001262700000000, 0.0005250700000000, -0.0003103600000000 ] - [ -0.0083534400000000, 0.0056186700000000, 0.0044904400000000 ] - [ -0.0003854600000000, 0.0001358000000000, -0.0003381700000000 ] - [ -0.0028717000000000, -0.0001577500000000, 0.0016727700000000 ] - [ -0.0029820500000000, -0.0012229400000000, -0.0010168000000000 ] - [ 0.0009169000000000, 0.0020448500000000, 0.0003949600000000 ] - [ -0.0007083800000000, -0.0001426800000000, 0.0000044600000000 ] - [ -0.0009910700000000, 0.0005800800000000, -0.0004238400000000 ] - [ -0.0002323200000000, 0.0003263400000000, 0.0002955900000000 ] - [ -0.0014331700000000, -0.0010611300000000, -0.0021746000000000 ] - [ 0.0001819300000000, -0.0001014400000000, 0.0001113300000000 ] - [ -0.0031711100000000, -0.0004128200000000, 0.0001204400000000 ] - [ 0.0000142200000000, 0.0006454400000000, -0.0001882500000000 ] - [ -0.0004913500000000, -0.0007492300000000, -0.0005200000000000 ] - [ -0.0011107100000000, 0.0018586700000000, -0.0015000500000000 ] - [ -0.0002307100000000, -0.0012145100000000, -0.0000406600000000 ] - [ -0.0002100300000000, -0.0004026200000000, 0.0002478100000000 ] - [ 0.0001963800000000, -0.0011757400000000, 0.0007540600000000 ] - [ 0.0000723800000000, -0.0011177700000000, -0.0010013100000000 ] - [ 0.0012596400000000, 0.0003820600000000, 0.0005312300000000 ] - [ 0.0004246300000000, 0.0008435000000000, 0.0003129300000000 ] - [ -0.0017091700000000, 0.0028834500000000, -0.0006458000000000 ] - [ -0.0000806700000000, 0.0004857400000000, -0.0000167400000000 ] - [ 0.0002801700000000, -0.0004089000000000, -0.0004854900000000 ] - [ -0.0000311200000000, 0.0002094000000000, -0.0002504300000000 ] - [ -0.0002864300000000, 0.0008187200000000, 0.0002606800000000 ] - [ -0.0002945700000000, -0.0000514300000000, 0.0003278100000000 ] - [ -0.0001155200000000, -0.0016068000000000, -0.0004339600000000 ] - [ -0.0002950500000000, -0.0003163400000000, -0.0000730300000000 ] - [ 0.0002927200000000, -0.0001783800000000, 0.0001355700000000 ] - [ 0.0003454400000000, -0.0003228400000000, 0.0000087600000000 ] - [ 0.0001435200000000, 0.0006783200000000, 0.0006544500000000 ] - [ 0.0000547500000000, 0.0005891800000000, -0.0004920800000000 ] - [ 0.0001627600000000, 0.0001234600000000, 0.0002864300000000 ] - [ 0.0001060300000000, 0.0002514800000000, 0.0003610800000000 ] - [ -0.0096745700000000, -0.0013404100000000, -0.0040907200000000 ] - [ 0.0006338400000000, -0.0005287200000000, 0.0001656000000000 ] - [ 0.0013571500000000, -0.0002348700000000, -0.0007809200000000 ] - [ 0.0008399900000000, -0.0000234200000000, 0.0009959600000000 ] - [ 0.0001639300000000, -0.0002580100000000, -0.0002566700000000 ] - [ 0.0001976300000000, -0.0000656900000000, -0.0003781800000000 ] - [ -0.0026604500000000, 0.0006669200000000, -0.0003337800000000 ] - [ 0.0001588200000000, -0.0000875700000000, -0.0003085700000000 ] - [ 0.0008826700000000, 0.0001670000000000, 0.0001226900000000 ] - [ 0.0006857700000000, 0.0001776900000000, -0.0000039900000000 ] - [ 0.0008024100000000, 0.0003234600000000, 0.0002500900000000 ] - [ 0.0005375000000000, -0.0003622300000000, 0.0000736500000000 ] - [ 0.0007061300000000, -0.0041761400000000, -0.0020430700000000 ] - [ -0.0002163900000000, -0.0003309100000000, -0.0001260100000000 ] - [ -0.0020465800000000, -0.0001631900000000, -0.0007693900000000 ] - [ -0.0053020900000000, -0.0011443100000000, 0.0035383000000000 ] - [ 0.0001801300000000, 0.0002424400000000, 0.0006546500000000 ] - [ 0.0003236000000000, 0.0001585800000000, 0.0002578800000000 ] - [ -0.0004460700000000, 0.0002204000000000, 0.0003839200000000 ] - [ -0.0004658000000000, 0.0003472300000000, 0.0002399500000000 ] - [ 0.0001697200000000, 0.0007731600000000, 0.0006183400000000 ] - [ -0.0002752100000000, 0.0006382600000000, 0.0003142800000000 ] - [ 0.0007371500000000, -0.0002812400000000, -0.0001116400000000 ] - [ 0.0001492300000000, -0.0005329000000000, 0.0006848800000000 ] - [ 0.0011033400000000, -0.0004376300000000, 0.0003631700000000 ] - [ -0.0006458700000000, -0.0002640700000000, 0.0003116000000000 ] - [ 0.0031282700000000, -0.0001259400000000, -0.0012193600000000 ] - [ 0.0003502800000000, -0.0002336100000000, 0.0001614500000000 ]- atom: 1 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0137118900000000, -0.0198504300000000, 0.0010279300000000 ] - [ 0.0005105800000000, -0.0000196900000000, 0.0002859600000000 ] - [ -0.0006019800000000, 0.0007347500000000, 0.0003683000000000 ] - [ -0.0004729100000000, 0.0003043200000000, 0.0001977800000000 ] - [ -0.0003371300000000, 0.0003502200000000, 0.0001822500000000 ] - [ -0.0000285600000000, -0.0004060300000000, 0.0002071100000000 ] - [ -0.0006401500000000, -0.0009655300000000, -0.0007295500000000 ] - [ -0.0005315000000000, -0.0009034300000000, 0.0010029700000000 ] - [ -0.0005334200000000, 0.0012476000000000, 0.0007064000000000 ] - [ -0.0004322200000000, 0.0011200800000000, -0.0002517300000000 ] - [ 0.0009996300000000, -0.0000756600000000, -0.0002273200000000 ] - [ 0.0009708700000000, 0.0000575400000000, 0.0006402300000000 ] - [ 0.0010867600000000, 0.0007714800000000, 0.0002607500000000 ] - [ 0.0044711400000000, 0.0024384700000000, -0.0034074000000000 ] - [ -0.0026663700000000, 0.0060613400000000, -0.0035315800000000 ] - [ -0.0004415000000000, 0.0008318100000000, 0.0007473000000000 ] - [ 0.0015569300000000, 0.0013633800000000, -0.0001039500000000 ] - [ 0.0005422000000000, 0.0003757900000000, 0.0002791500000000 ] - [ -0.0008194100000000, 0.0003189000000000, -0.0003696200000000 ] - [ -0.0009812500000000, 0.0001787900000000, -0.0003697900000000 ] - [ 0.0000795000000000, -0.0004147000000000, -0.0006398100000000 ] - [ 0.0001683900000000, -0.0003826100000000, -0.0006513800000000 ] - [ 0.0001878900000000, -0.0026093000000000, 0.0000045000000000 ] - [ 0.0001096900000000, -0.0006573400000000, 0.0002998500000000 ] - [ 0.0009529500000000, -0.0018324000000000, -0.0007187500000000 ] - [ 0.0006911600000000, -0.0013999800000000, 0.0012281600000000 ] - [ -0.0038221200000000, 0.0037165300000000, -0.0004801900000000 ] - [ -0.0005906000000000, 0.0003116200000000, 0.0003538800000000 ] - [ -0.0003163000000000, 0.0001195100000000, 0.0004591100000000 ] - [ -0.0004064900000000, 0.0000778200000000, 0.0005258600000000 ] - [ 0.0003193000000000, 0.0005316300000000, 0.0003142100000000 ] - [ 0.0000981300000000, 0.0003453600000000, 0.0001800200000000 ] - [ 0.0006104500000000, -0.0003338800000000, 0.0003701700000000 ] - [ 0.0002915500000000, -0.0002187200000000, 0.0002581800000000 ] - [ -0.0004181500000000, 0.0007110300000000, -0.0004551000000000 ] - [ -0.0001336900000000, 0.0008244500000000, -0.0003881200000000 ] - [ 0.0016538000000000, -0.0020698500000000, 0.0001476900000000 ] - [ -0.0001397000000000, 0.0000294000000000, -0.0006287400000000 ] - [ -0.0002253600000000, 0.0001398300000000, 0.0004069800000000 ] - [ -0.0001835900000000, 0.0000500300000000, 0.0004099900000000 ] - [ 0.0000142800000000, -0.0009867200000000, -0.0001539500000000 ] - [ -0.0013431800000000, -0.0012650600000000, -0.0005099600000000 ] - [ -0.0001106900000000, -0.0003250300000000, 0.0000267900000000 ] - [ -0.0002188200000000, -0.0000204100000000, 0.0002510000000000 ] - [ -0.0008387700000000, -0.0010290000000000, -0.0002090300000000 ] - [ -0.0007122400000000, -0.0005945200000000, -0.0003973400000000 ] - [ 0.0005429300000000, 0.0004384500000000, -0.0003394600000000 ] - [ 0.0004372200000000, 0.0003903600000000, -0.0004150400000000 ] - [ -0.0011118700000000, -0.0002776200000000, 0.0009661300000000 ] - [ -0.0004103100000000, -0.0000376500000000, -0.0009169200000000 ] - [ 0.0002622400000000, 0.0026727800000000, 0.0040439100000000 ] - [ -0.0003371600000000, -0.0000382000000000, -0.0000746900000000 ] - [ 0.0003729800000000, 0.0000613400000000, -0.0001233900000000 ] - [ -0.0000461200000000, 0.0005002200000000, 0.0015597000000000 ] - [ -0.0008466500000000, 0.0004168900000000, -0.0004726400000000 ] - [ 0.0002721900000000, 0.0000173600000000, -0.0006525600000000 ] - [ -0.0000288000000000, -0.0003521000000000, -0.0002326200000000 ] - [ 0.0006375500000000, -0.0003613000000000, -0.0003581400000000 ] - [ -0.0002494000000000, 0.0002276700000000, -0.0004279000000000 ] - [ -0.0000811000000000, 0.0015198800000000, 0.0035717200000000 ] - [ 0.0001055600000000, 0.0003804700000000, -0.0006886600000000 ] - [ 0.0001655000000000, 0.0003872200000000, -0.0005973900000000 ] - [ -0.0007991000000000, -0.0002905300000000, -0.0007476000000000 ] - [ -0.0002276900000000, -0.0002539200000000, -0.0005770900000000 ] - [ 0.0005034500000000, 0.0005737000000000, -0.0006022900000000 ] - [ 0.0003467300000000, 0.0005845900000000, -0.0003567900000000 ] - [ 0.0021270400000000, -0.0017184500000000, 0.0026993000000000 ] - [ 0.0004527200000000, -0.0008036400000000, -0.0029513700000000 ] - [ 0.0082286800000000, 0.0054499400000000, -0.0018440400000000 ] - [ 0.0005462100000000, -0.0002264600000000, -0.0002907400000000 ] - [ -0.0004199600000000, 0.0006154800000000, -0.0008281700000000 ] - [ -0.0001107700000000, 0.0006475700000000, -0.0012017300000000 ] - [ -0.0021186900000000, 0.0036689100000000, 0.0010994400000000 ] - [ -0.0002488100000000, 0.0007787000000000, -0.0003147800000000 ] - [ -0.0082647000000000, 0.0025322300000000, 0.0046695200000000 ] - [ -0.0003702600000000, -0.0002116000000000, -0.0003919500000000 ] - [ -0.0014519200000000, 0.0022754000000000, 0.0013369900000000 ] - [ -0.0001734100000000, 0.0014983400000000, 0.0004086700000000 ] - [ -0.0019581200000000, 0.0011008200000000, 0.0001913100000000 ] - [ -0.0008500700000000, -0.0000312700000000, 0.0001438900000000 ] - [ -0.0013777400000000, -0.0025068200000000, 0.0024589300000000 ] - [ -0.0002613200000000, 0.0000337900000000, 0.0001388100000000 ] - [ -0.0002891300000000, 0.0009320300000000, -0.0022257800000000 ] - [ 0.0002068600000000, 0.0001898600000000, 0.0001909900000000 ] - [ -0.0013074700000000, -0.0012382800000000, 0.0004967300000000 ] - [ 0.0002502800000000, 0.0005217700000000, 0.0003169800000000 ] - [ -0.0001718200000000, 0.0010786600000000, -0.0028873200000000 ] - [ -0.0003339200000000, 0.0010292400000000, 0.0001137600000000 ] - [ 0.0006128200000000, -0.0018787600000000, -0.0002241700000000 ] - [ 0.0000463600000000, -0.0005311400000000, 0.0003010300000000 ] - [ 0.0005841100000000, -0.0010011500000000, 0.0009391900000000 ] - [ 0.0004333200000000, -0.0010993300000000, -0.0009367100000000 ] - [ 0.0009606500000000, 0.0009071200000000, 0.0004418600000000 ] - [ 0.0003852300000000, 0.0008801400000000, 0.0003178100000000 ] - [ -0.0044182200000000, 0.0005037500000000, -0.0009441500000000 ] - [ -0.0002894700000000, 0.0003889200000000, 0.0000819900000000 ] - [ 0.0018162600000000, -0.0015746000000000, -0.0005424000000000 ] - [ 0.0002291000000000, -0.0000158400000000, -0.0001720900000000 ] - [ 0.0000507100000000, 0.0013259000000000, 0.0015499700000000 ] - [ 0.0003391700000000, 0.0005538400000000, -0.0022834600000000 ] - [ 0.0023954600000000, -0.0028793100000000, -0.0005318800000000 ] - [ 0.0000100200000000, -0.0005030800000000, -0.0001198700000000 ] - [ -0.0004285400000000, -0.0005118200000000, 0.0002834500000000 ] - [ -0.0003675500000000, -0.0004332500000000, 0.0001588900000000 ] - [ -0.0008315000000000, 0.0000631700000000, -0.0002556000000000 ] - [ -0.0009450600000000, 0.0001002600000000, -0.0001459100000000 ] - [ 0.0001087400000000, -0.0002693000000000, 0.0004968900000000 ] - [ -0.0000099200000000, -0.0006040400000000, 0.0009874800000000 ] - [ -0.0035613600000000, 0.0020453000000000, -0.0017701900000000 ] - [ 0.0007076300000000, -0.0003424000000000, 0.0002211600000000 ] - [ 0.0017121600000000, 0.0003620500000000, -0.0006281100000000 ] - [ 0.0012287100000000, 0.0001813000000000, 0.0006934900000000 ] - [ 0.0000881100000000, -0.0007599400000000, -0.0002599600000000 ] - [ -0.0000175400000000, -0.0007755100000000, 0.0000439500000000 ] - [ -0.0027400200000000, 0.0010788100000000, -0.0000176700000000 ] - [ 0.0000597100000000, -0.0001211200000000, 0.0000722000000000 ] - [ 0.0007887300000000, -0.0004683000000000, 0.0003052600000000 ] - [ 0.0007769400000000, -0.0006267200000000, 0.0004060300000000 ] - [ -0.0007579200000000, -0.0018032800000000, 0.0003433800000000 ] - [ 0.0003353600000000, -0.0006972300000000, 0.0001831900000000 ] - [ 0.0011957500000000, -0.0025965200000000, -0.0015717600000000 ] - [ -0.0001509300000000, -0.0000631500000000, -0.0000442100000000 ] - [ -0.0019508500000000, 0.0007030800000000, -0.0007622500000000 ] - [ -0.0008028800000000, 0.0016519300000000, 0.0006186900000000 ] - [ -0.0001411600000000, -0.0004497500000000, 0.0004815500000000 ] - [ -0.0003199900000000, -0.0006619000000000, 0.0002332000000000 ] - [ -0.0004133100000000, -0.0002845700000000, 0.0006319400000000 ] - [ -0.0004101500000000, -0.0000744100000000, 0.0001301800000000 ] - [ -0.0001581300000000, 0.0009367000000000, 0.0005399700000000 ] - [ -0.0004844700000000, 0.0007894400000000, 0.0002946300000000 ] - [ -0.0002908400000000, -0.0005614600000000, 0.0004074200000000 ] - [ -0.0002539400000000, -0.0007465300000000, 0.0003655500000000 ] - [ 0.0001350500000000, -0.0003836000000000, 0.0002805000000000 ] - [ -0.0007918300000000, -0.0002330400000000, 0.0003604100000000 ] - [ 0.0025357000000000, 0.0016199700000000, -0.0018576600000000 ] - [ 0.0003069400000000, 0.0000321700000000, 0.0000898200000000 ]- atom: 1 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ -0.0127462000000000, 0.0202416200000000, -0.0004938100000000 ] - [ 0.0002946000000000, 0.0007051900000000, 0.0001476100000000 ] - [ -0.0003849000000000, -0.0003871300000000, 0.0000631900000000 ] - [ -0.0005155400000000, 0.0000424900000000, 0.0002334900000000 ] - [ 0.0005262800000000, -0.0014239900000000, 0.0002635700000000 ] - [ 0.0002195500000000, -0.0006669500000000, 0.0002384000000000 ] - [ -0.0001626600000000, 0.0002765500000000, 0.0011621700000000 ] - [ -0.0002707300000000, 0.0002136800000000, -0.0005681200000000 ] - [ 0.0003410300000000, -0.0001743500000000, -0.0002655000000000 ] - [ 0.0002400200000000, -0.0000463100000000, 0.0007021900000000 ] - [ -0.0000069900000000, -0.0002703200000000, 0.0006576600000000 ] - [ 0.0000218600000000, -0.0004034300000000, -0.0002083200000000 ] - [ -0.0010820700000000, -0.0007662900000000, -0.0008954600000000 ] - [ -0.0044819900000000, -0.0024300300000000, 0.0027846500000000 ] - [ 0.0026495400000000, -0.0060226300000000, 0.0028701400000000 ] - [ 0.0004401000000000, -0.0008305700000000, -0.0013769600000000 ] - [ -0.0009001800000000, -0.0009636800000000, 0.0007955800000000 ] - [ 0.0001134200000000, 0.0000226100000000, 0.0004129600000000 ] - [ -0.0007121300000000, 0.0003781900000000, -0.0003506300000000 ] - [ -0.0005524500000000, 0.0005171400000000, -0.0003510500000000 ] - [ 0.0003280000000000, -0.0002353800000000, -0.0006176100000000 ] - [ 0.0002385800000000, -0.0002670900000000, -0.0006058500000000 ] - [ -0.0001605900000000, 0.0018350800000000, 0.0006864900000000 ] - [ -0.0000908000000000, -0.0001099900000000, 0.0003926400000000 ] - [ -0.0009615900000000, 0.0025787000000000, 0.0014147800000000 ] - [ -0.0007035300000000, 0.0021525400000000, -0.0005366300000000 ] - [ 0.0031554500000000, -0.0034002500000000, 0.0011723400000000 ] - [ -0.0000838400000000, 0.0000576700000000, 0.0003371000000000 ] - [ 0.0009871300000000, -0.0004873200000000, 0.0002325700000000 ] - [ 0.0010769700000000, -0.0004454800000000, 0.0001664300000000 ] - [ -0.0002103000000000, 0.0001297600000000, 0.0002516000000000 ] - [ 0.0000112400000000, 0.0003166400000000, 0.0003869700000000 ] - [ -0.0000881700000000, -0.0000895900000000, 0.0001982500000000 ] - [ 0.0002291200000000, -0.0002066800000000, 0.0003071600000000 ] - [ 0.0002548600000000, 0.0009635700000000, -0.0002653000000000 ] - [ -0.0000292600000000, 0.0008499200000000, -0.0003323100000000 ] - [ -0.0020708200000000, 0.0026994600000000, -0.0014091300000000 ] - [ -0.0002660900000000, 0.0006193700000000, -0.0006283000000000 ] - [ -0.0004272400000000, -0.0005362800000000, 0.0002855600000000 ] - [ -0.0004690700000000, -0.0004462900000000, 0.0002830100000000 ] - [ 0.0001476700000000, -0.0006861200000000, -0.0005666700000000 ] - [ 0.0015147200000000, -0.0003940600000000, -0.0002018400000000 ] - [ 0.0000018900000000, -0.0003368200000000, 0.0005378000000000 ] - [ 0.0001113800000000, -0.0006407900000000, 0.0003193000000000 ] - [ -0.0005324700000000, 0.0000495300000000, -0.0005089100000000 ] - [ -0.0006556100000000, -0.0003843900000000, -0.0003234100000000 ] - [ 0.0008257200000000, 0.0005408900000000, -0.0003815400000000 ] - [ 0.0009301500000000, 0.0005898800000000, -0.0003052000000000 ] - [ 0.0003364800000000, 0.0002639500000000, -0.0022359800000000 ] - [ -0.0003604200000000, 0.0000128000000000, -0.0003412000000000 ] - [ -0.0009011400000000, -0.0029389900000000, -0.0035053900000000 ] - [ -0.0002888400000000, -0.0001991000000000, 0.0006390800000000 ] - [ 0.0002542600000000, 0.0001768100000000, 0.0006878300000000 ] - [ 0.0006711500000000, -0.0002606400000000, -0.0009897900000000 ] - [ 0.0016104400000000, -0.0003873000000000, -0.0007844800000000 ] - [ 0.0004948700000000, 0.0000108800000000, -0.0006052800000000 ] - [ 0.0015660200000000, -0.0003418300000000, -0.0004885800000000 ] - [ 0.0008943800000000, -0.0003354400000000, -0.0003625000000000 ] - [ -0.0002706300000000, 0.0001982700000000, 0.0009909900000000 ] - [ -0.0004307900000000, -0.0010863300000000, -0.0029844100000000 ] - [ 0.0002529200000000, 0.0002959800000000, -0.0005688200000000 ] - [ 0.0001933100000000, 0.0002896400000000, -0.0006594000000000 ] - [ 0.0004457300000000, -0.0003836200000000, -0.0005081300000000 ] - [ -0.0001317300000000, -0.0004232700000000, -0.0006804800000000 ] - [ -0.0004624000000000, 0.0000163700000000, -0.0004118700000000 ] - [ -0.0003072200000000, 0.0000061800000000, -0.0006551800000000 ] - [ -0.0016106500000000, 0.0014541900000000, -0.0036883400000000 ] - [ 0.0000177500000000, 0.0005212600000000, 0.0019121200000000 ] - [ -0.0082554800000000, -0.0060092700000000, 0.0008380800000000 ] - [ -0.0005786600000000, -0.0003618400000000, -0.0007211400000000 ] - [ -0.0000998400000000, -0.0008843700000000, -0.0001849100000000 ] - [ -0.0004107700000000, -0.0009177400000000, 0.0001920300000000 ] - [ 0.0026428900000000, -0.0034102700000000, -0.0021198900000000 ] - [ 0.0007669200000000, -0.0005063300000000, -0.0006961900000000 ] - [ 0.0077126500000000, -0.0022150900000000, -0.0057014100000000 ] - [ -0.0001289400000000, 0.0005294000000000, -0.0006166700000000 ] - [ 0.0010678000000000, -0.0017436300000000, -0.0011020400000000 ] - [ -0.0001886800000000, -0.0009602600000000, -0.0001635300000000 ] - [ 0.0006385100000000, -0.0015051300000000, 0.0001333900000000 ] - [ -0.0004628000000000, -0.0003697500000000, 0.0001807800000000 ] - [ 0.0012072300000000, 0.0029876200000000, -0.0016920600000000 ] - [ 0.0000916500000000, 0.0004550500000000, 0.0006308100000000 ] - [ 0.0005623000000000, -0.0009302900000000, 0.0028977000000000 ] - [ 0.0003044400000000, -0.0002871000000000, 0.0005756100000000 ] - [ 0.0016381500000000, 0.0023368700000000, -0.0001686700000000 ] - [ 0.0000528600000000, 0.0008206200000000, 0.0000087700000000 ] - [ 0.0006712900000000, -0.0005699200000000, 0.0024169400000000 ] - [ 0.0008429300000000, -0.0005219700000000, -0.0005961400000000 ] - [ -0.0009408800000000, 0.0014929800000000, 0.0009954900000000 ] - [ -0.0003750000000000, 0.0001416800000000, 0.0004655600000000 ] - [ -0.0008822100000000, -0.0003419300000000, -0.0006116700000000 ] - [ -0.0007319900000000, -0.0002449800000000, 0.0012579100000000 ] - [ -0.0004774100000000, 0.0009386800000000, 0.0002261000000000 ] - [ 0.0001007800000000, 0.0009685800000000, 0.0003515900000000 ] - [ 0.0046843600000000, 0.0000881100000000, 0.0011733200000000 ] - [ 0.0005741300000000, 0.0002018000000000, 0.0001508400000000 ] - [ -0.0020306000000000, 0.0022732200000000, 0.0000585700000000 ] - [ -0.0004370300000000, 0.0007108400000000, -0.0003111900000000 ] - [ 0.0012566000000000, -0.0009162100000000, -0.0012176300000000 ] - [ 0.0009681600000000, -0.0001472800000000, 0.0025971100000000 ] - [ -0.0030452800000000, 0.0028434700000000, 0.0007654000000000 ] - [ -0.0006508200000000, 0.0004517800000000, 0.0003514900000000 ] - [ 0.0001394700000000, -0.0000774400000000, -0.0000478300000000 ] - [ 0.0000795700000000, -0.0001561900000000, 0.0000754300000000 ] - [ 0.0001266300000000, 0.0001014500000000, -0.0002310500000000 ] - [ 0.0002405900000000, 0.0000630600000000, -0.0003399000000000 ] - [ 0.0002227800000000, 0.0006579100000000, 0.0002713500000000 ] - [ 0.0003433300000000, 0.0009939400000000, -0.0002226500000000 ] - [ 0.0049670000000000, -0.0033619400000000, 0.0024522600000000 ] - [ 0.0006503500000000, -0.0010032400000000, 0.0004472800000000 ] - [ 0.0001263000000000, 0.0001143300000000, 0.0012978300000000 ] - [ 0.0006106700000000, 0.0003000800000000, -0.0000335000000000 ] - [ 0.0001214400000000, 0.0000628000000000, -0.0002252500000000 ] - [ 0.0002282000000000, 0.0000783100000000, -0.0005311700000000 ] - [ 0.0034587200000000, -0.0009057800000000, -0.0004348500000000 ] - [ 0.0006400500000000, -0.0000454700000000, -0.0005563500000000 ] - [ -0.0001420700000000, 0.0005185400000000, -0.0000726700000000 ] - [ -0.0001305900000000, 0.0006774400000000, -0.0001755000000000 ] - [ 0.0017641900000000, 0.0008702700000000, -0.0000196900000000 ] - [ 0.0006708200000000, -0.0002349600000000, 0.0001408700000000 ] - [ -0.0016836800000000, 0.0020752500000000, 0.0010952600000000 ] - [ -0.0003458100000000, -0.0004662900000000, -0.0004405000000000 ] - [ 0.0014278500000000, -0.0006109600000000, 0.0015203300000000 ] - [ 0.0003150600000000, -0.0015420200000000, 0.0001136200000000 ] - [ 0.0003095100000000, -0.0000389900000000, 0.0002891000000000 ] - [ 0.0004890100000000, 0.0001723400000000, 0.0005364300000000 ] - [ -0.0005935100000000, 0.0012149700000000, -0.0003045900000000 ] - [ -0.0005967300000000, 0.0010061600000000, 0.0001902300000000 ] - [ -0.0011973600000000, 0.0004093400000000, 0.0001285000000000 ] - [ -0.0008703700000000, 0.0005563300000000, 0.0003727900000000 ] - [ -0.0001911100000000, -0.0012854400000000, 0.0002594600000000 ] - [ -0.0002294600000000, -0.0011003500000000, 0.0003031400000000 ] - [ -0.0019661600000000, -0.0001002600000000, 0.0003798500000000 ] - [ -0.0010437400000000, -0.0002509700000000, 0.0003004900000000 ] - [ -0.0021590800000000, -0.0021450100000000, 0.0020843400000000 ] - [ 0.0000633100000000, -0.0005626800000000, 0.0001413500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0025815900000000, 0.0026156400000000, -0.0390385400000000 ] - [ 0.0002052500000000, 0.0003098600000000, 0.0021400100000000 ] - [ -0.0005491300000000, 0.0002506400000000, -0.0001304300000000 ] - [ -0.0004439400000000, 0.0001620200000000, 0.0005614700000000 ] - [ 0.0002488600000000, -0.0005977600000000, -0.0001230900000000 ] - [ 0.0000779000000000, -0.0005178800000000, 0.0005685300000000 ] - [ 0.0008191600000000, -0.0005421600000000, 0.0006942800000000 ] - [ -0.0017947400000000, -0.0000534900000000, 0.0006932300000000 ] - [ -0.0005195500000000, 0.0011797200000000, 0.0003994200000000 ] - [ 0.0003470000000000, -0.0000641100000000, 0.0002257600000000 ] - [ 0.0002526600000000, -0.0005810800000000, 0.0002215900000000 ] - [ 0.0007470500000000, 0.0002452800000000, 0.0003890600000000 ] - [ 0.0011263000000000, 0.0019719600000000, 0.0021030900000000 ] - [ -0.0016979800000000, -0.0040538000000000, -0.0027370600000000 ] - [ 0.0004824800000000, -0.0027580500000000, -0.0019630400000000 ] - [ -0.0007092200000000, 0.0008725100000000, 0.0014915000000000 ] - [ 0.0005681800000000, 0.0003991100000000, 0.0002112300000000 ] - [ 0.0002806100000000, 0.0001661000000000, 0.0004246800000000 ] - [ -0.0008252000000000, 0.0003466800000000, -0.0002737600000000 ] - [ -0.0005303100000000, 0.0004042000000000, -0.0003433600000000 ] - [ 0.0001719200000000, -0.0003218700000000, -0.0006787500000000 ] - [ 0.0002098600000000, -0.0002596900000000, -0.0005700900000000 ] - [ -0.0002380000000000, -0.0002218200000000, -0.0001505900000000 ] - [ 0.0001183800000000, -0.0003922800000000, 0.0005400100000000 ] - [ 0.0005800500000000, -0.0035090000000000, 0.0032167800000000 ] - [ -0.0001380400000000, 0.0019601100000000, 0.0017001300000000 ] - [ -0.0006364300000000, -0.0002373600000000, -0.0002646100000000 ] - [ -0.0001912400000000, 0.0001620400000000, 0.0006015700000000 ] - [ 0.0004163400000000, -0.0001942500000000, 0.0002984700000000 ] - [ 0.0003564700000000, -0.0002308900000000, 0.0003898300000000 ] - [ 0.0001832900000000, 0.0004480500000000, -0.0003185700000000 ] - [ -0.0000528000000000, 0.0002530700000000, 0.0008311900000000 ] - [ 0.0007647100000000, 0.0000208500000000, -0.0003739400000000 ] - [ 0.0001308400000000, -0.0001813900000000, 0.0010405700000000 ] - [ -0.0001041800000000, 0.0007996400000000, -0.0005470800000000 ] - [ -0.0000086500000000, 0.0008566300000000, -0.0002014600000000 ] - [ 0.0008922800000000, 0.0019438400000000, -0.0012264600000000 ] - [ -0.0002939300000000, 0.0000754600000000, -0.0004433400000000 ] - [ -0.0003376000000000, -0.0001198800000000, 0.0003285500000000 ] - [ -0.0003697000000000, -0.0002813000000000, 0.0003529000000000 ] - [ -0.0002984500000000, -0.0009484100000000, -0.0000155400000000 ] - [ 0.0021218300000000, -0.0004003800000000, -0.0000797100000000 ] - [ 0.0000196300000000, -0.0003928300000000, 0.0006873600000000 ] - [ -0.0001441300000000, -0.0002508500000000, -0.0001040400000000 ] - [ -0.0010797300000000, -0.0005818400000000, -0.0009810800000000 ] - [ -0.0005992700000000, -0.0004178600000000, -0.0000670800000000 ] - [ 0.0006084400000000, 0.0004870500000000, -0.0002438400000000 ] - [ 0.0008384400000000, 0.0004422300000000, -0.0003904400000000 ] - [ -0.0036501200000000, 0.0012525100000000, 0.0000056300000000 ] - [ 0.0010352700000000, -0.0005954200000000, -0.0001181500000000 ] - [ -0.0006401800000000, 0.0027748900000000, -0.0016351100000000 ] - [ -0.0001211100000000, -0.0005619200000000, 0.0023872900000000 ] - [ 0.0003750300000000, 0.0001319000000000, 0.0007787900000000 ] - [ 0.0001664800000000, 0.0001783400000000, -0.0005164900000000 ] - [ 0.0006326800000000, -0.0001178500000000, -0.0007060000000000 ] - [ 0.0003569800000000, 0.0000433800000000, -0.0005616300000000 ] - [ 0.0005525900000000, -0.0004292000000000, -0.0008240400000000 ] - [ 0.0008501000000000, -0.0003057500000000, -0.0001139900000000 ] - [ -0.0003733900000000, 0.0000805500000000, 0.0019076700000000 ] - [ -0.0002901800000000, 0.0025784200000000, -0.0001723000000000 ] - [ 0.0000901900000000, 0.0002417000000000, -0.0006878400000000 ] - [ 0.0002788400000000, 0.0004062600000000, -0.0006286400000000 ] - [ -0.0001646800000000, -0.0005051800000000, -0.0008109500000000 ] - [ -0.0001469900000000, -0.0002766900000000, -0.0004469100000000 ] - [ 0.0007447100000000, 0.0007874900000000, -0.0003353100000000 ] - [ -0.0007677700000000, -0.0001112900000000, -0.0006716200000000 ] - [ 0.0059072400000000, 0.0078509300000000, 0.0086061000000000 ] - [ 0.0035308700000000, -0.0063660900000000, 0.0089108900000000 ] - [ -0.0003146200000000, 0.0004448200000000, -0.0019802700000000 ] - [ 0.0001146700000000, -0.0010290100000000, 0.0004075700000000 ] - [ -0.0002473400000000, 0.0001931100000000, -0.0007106300000000 ] - [ -0.0000969400000000, -0.0005676100000000, -0.0003014900000000 ] - [ 0.0000104800000000, -0.0004904800000000, -0.0013204900000000 ] - [ 0.0004570600000000, 0.0005851100000000, 0.0001019700000000 ] - [ 0.0024487500000000, 0.0002118600000000, -0.0055383200000000 ] - [ -0.0011487800000000, 0.0000403300000000, 0.0006862600000000 ] - [ -0.0034797000000000, -0.0008949000000000, 0.0080561200000000 ] - [ -0.0013950100000000, 0.0000576700000000, -0.0028663300000000 ] - [ -0.0005757600000000, -0.0005390800000000, 0.0015498000000000 ] - [ -0.0008497300000000, -0.0001535600000000, -0.0007653000000000 ] - [ -0.0000542000000000, -0.0006268300000000, 0.0018313600000000 ] - [ -0.0002179900000000, 0.0005864100000000, -0.0004612400000000 ] - [ -0.0000338300000000, 0.0001012800000000, 0.0041439400000000 ] - [ 0.0009463600000000, -0.0002757500000000, -0.0007129800000000 ] - [ 0.0002517300000000, 0.0002300100000000, 0.0041276500000000 ] - [ 0.0002772900000000, 0.0008382000000000, -0.0019783600000000 ] - [ -0.0006478700000000, -0.0041182700000000, -0.0006682100000000 ] - [ -0.0007635500000000, 0.0043700800000000, -0.0022586700000000 ] - [ 0.0000460900000000, 0.0001217400000000, 0.0010086900000000 ] - [ -0.0003307600000000, -0.0003888800000000, -0.0001264900000000 ] - [ -0.0003705900000000, -0.0004751900000000, -0.0000724300000000 ] - [ 0.0000830500000000, -0.0008022700000000, 0.0004926200000000 ] - [ 0.0001610100000000, 0.0011148100000000, 0.0006542900000000 ] - [ 0.0002077700000000, 0.0008717500000000, 0.0000148700000000 ] - [ 0.0005110600000000, -0.0006303500000000, 0.0008301100000000 ] - [ -0.0000615100000000, 0.0005180100000000, -0.0003728600000000 ] - [ 0.0000712600000000, 0.0005708000000000, 0.0002648900000000 ] - [ -0.0002456400000000, 0.0002031700000000, -0.0006944000000000 ] - [ -0.0000198600000000, 0.0029053700000000, -0.0014113200000000 ] - [ 0.0010946500000000, -0.0019890300000000, -0.0005525900000000 ] - [ -0.0003537800000000, 0.0004157600000000, 0.0008362400000000 ] - [ -0.0002628200000000, -0.0002785200000000, -0.0004199600000000 ] - [ -0.0004989700000000, -0.0004277500000000, 0.0003208000000000 ] - [ 0.0003445000000000, -0.0002187900000000, -0.0001146900000000 ] - [ -0.0011116100000000, -0.0004927800000000, -0.0000375400000000 ] - [ 0.0004739600000000, 0.0007206600000000, -0.0006557200000000 ] - [ 0.0000780700000000, -0.0002724300000000, 0.0002001300000000 ] - [ 0.0001350300000000, 0.0006631400000000, 0.0005608100000000 ] - [ 0.0021409900000000, -0.0014413200000000, 0.0039722100000000 ] - [ 0.0010139600000000, -0.0004041900000000, -0.0004859900000000 ] - [ 0.0027550500000000, -0.0004916200000000, 0.0003087200000000 ] - [ -0.0001896500000000, 0.0007094300000000, -0.0000782100000000 ] - [ 0.0000211900000000, -0.0006010200000000, 0.0000608500000000 ] - [ 0.0000558400000000, -0.0000374700000000, -0.0005915800000000 ] - [ 0.0004021000000000, 0.0000528400000000, 0.0022497800000000 ] - [ 0.0005110200000000, 0.0001752400000000, -0.0015311700000000 ] - [ 0.0004202000000000, -0.0000320400000000, 0.0003396900000000 ] - [ 0.0001382900000000, 0.0001802100000000, -0.0001260100000000 ] - [ 0.0002982900000000, -0.0004007600000000, 0.0010400300000000 ] - [ 0.0005705800000000, -0.0006466200000000, -0.0005619500000000 ] - [ -0.0010021600000000, 0.0013176500000000, 0.0015197800000000 ] - [ 0.0000081700000000, -0.0004642100000000, -0.0008771800000000 ] - [ -0.0033238400000000, -0.0010225900000000, -0.0031506600000000 ] - [ -0.0053204100000000, -0.0012056100000000, 0.0078544900000000 ] - [ -0.0001507100000000, -0.0004838300000000, 0.0000822500000000 ] - [ 0.0003660100000000, -0.0001125900000000, 0.0006424700000000 ] - [ -0.0005750000000000, 0.0005702300000000, -0.0000356300000000 ] - [ -0.0003700700000000, 0.0003856700000000, 0.0002971600000000 ] - [ -0.0006748400000000, 0.0007015300000000, 0.0004011600000000 ] - [ -0.0007275500000000, 0.0006027200000000, 0.0002302800000000 ] - [ 0.0002134500000000, -0.0006518400000000, 0.0005810800000000 ] - [ -0.0005348000000000, -0.0011291900000000, 0.0001153500000000 ] - [ -0.0013212700000000, -0.0002029500000000, 0.0005233500000000 ] - [ -0.0008588100000000, -0.0002790900000000, 0.0001275600000000 ] - [ -0.0008749800000000, -0.0016447400000000, 0.0024359800000000 ] - [ 0.0004231900000000, 0.0001441000000000, -0.0006243200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0016723800000000, -0.0015920000000000, 0.0398032900000000 ] - [ 0.0005987800000000, 0.0003773400000000, -0.0017041500000000 ] - [ -0.0004394600000000, 0.0000933700000000, 0.0005621000000000 ] - [ -0.0005445700000000, 0.0001840900000000, -0.0001299500000000 ] - [ -0.0000564800000000, -0.0004747700000000, 0.0005694000000000 ] - [ 0.0001133600000000, -0.0005545300000000, -0.0001229000000000 ] - [ -0.0016307000000000, -0.0001424300000000, -0.0002591400000000 ] - [ 0.0009838500000000, -0.0006336000000000, -0.0002602500000000 ] - [ 0.0003292300000000, -0.0001101900000000, 0.0000486400000000 ] - [ -0.0005379400000000, 0.0011349600000000, 0.0002173100000000 ] - [ 0.0007387600000000, 0.0002397200000000, 0.0002132800000000 ] - [ 0.0002453700000000, -0.0005873200000000, 0.0000382200000000 ] - [ -0.0011307500000000, -0.0019804300000000, -0.0027385700000000 ] - [ 0.0017025700000000, 0.0040504700000000, 0.0020786400000000 ] - [ -0.0004854000000000, 0.0027613800000000, 0.0013533600000000 ] - [ 0.0007002100000000, -0.0008623500000000, -0.0021245100000000 ] - [ 0.0000828600000000, -0.0000046800000000, 0.0004823800000000 ] - [ 0.0003754600000000, 0.0002330500000000, 0.0002676700000000 ] - [ -0.0007048600000000, 0.0003507300000000, -0.0004469500000000 ] - [ -0.0010025100000000, 0.0002920800000000, -0.0003802600000000 ] - [ 0.0002351700000000, -0.0003267000000000, -0.0005780200000000 ] - [ 0.0001969700000000, -0.0003897100000000, -0.0006877000000000 ] - [ 0.0002612000000000, -0.0005429800000000, 0.0008422400000000 ] - [ -0.0001009800000000, -0.0003744600000000, 0.0001526600000000 ] - [ -0.0005975000000000, 0.0043026500000000, -0.0025566100000000 ] - [ 0.0001205200000000, -0.0011815800000000, -0.0009897700000000 ] - [ -0.0000456100000000, 0.0006149200000000, 0.0009511200000000 ] - [ -0.0004787800000000, 0.0002049700000000, 0.0000904500000000 ] - [ 0.0002560000000000, -0.0001739800000000, 0.0003941600000000 ] - [ 0.0003148500000000, -0.0001371200000000, 0.0003020600000000 ] - [ -0.0000741800000000, 0.0002145700000000, 0.0008885100000000 ] - [ 0.0001622800000000, 0.0004087300000000, -0.0002671100000000 ] - [ -0.0002432300000000, -0.0004460300000000, 0.0009461600000000 ] - [ 0.0003887900000000, -0.0002448200000000, -0.0004778100000000 ] - [ -0.0000575100000000, 0.0008743000000000, -0.0001732600000000 ] - [ -0.0001534800000000, 0.0008170700000000, -0.0005201800000000 ] - [ -0.0013001300000000, -0.0013023800000000, -0.0000382800000000 ] - [ -0.0001115400000000, 0.0005745500000000, -0.0008143200000000 ] - [ -0.0003163700000000, -0.0002782400000000, 0.0003645700000000 ] - [ -0.0002843300000000, -0.0001161300000000, 0.0003392900000000 ] - [ 0.0004621200000000, -0.0007253100000000, -0.0007062000000000 ] - [ -0.0019397300000000, -0.0012702800000000, -0.0006453800000000 ] - [ -0.0001283300000000, -0.0002682000000000, -0.0001193100000000 ] - [ 0.0000348100000000, -0.0004108800000000, 0.0006663700000000 ] - [ -0.0002878900000000, -0.0003962200000000, 0.0002643600000000 ] - [ -0.0007668100000000, -0.0005596200000000, -0.0006546300000000 ] - [ 0.0007600500000000, 0.0004912500000000, -0.0004773300000000 ] - [ 0.0005287700000000, 0.0005370000000000, -0.0003328500000000 ] - [ 0.0029055000000000, -0.0012900600000000, -0.0012641900000000 ] - [ -0.0017920900000000, 0.0005636500000000, -0.0011385100000000 ] - [ 0.0000142000000000, -0.0030142000000000, 0.0022293600000000 ] - [ -0.0005053100000000, 0.0003225700000000, -0.0018202800000000 ] - [ 0.0002506400000000, 0.0001072100000000, -0.0002099700000000 ] - [ 0.0004602900000000, 0.0000598500000000, 0.0010765200000000 ] - [ 0.0001352500000000, 0.0001462100000000, -0.0005523500000000 ] - [ 0.0004083400000000, -0.0000143300000000, -0.0006959000000000 ] - [ 0.0009769500000000, -0.0002668200000000, 0.0001064300000000 ] - [ 0.0006814600000000, -0.0003909900000000, -0.0006069900000000 ] - [ -0.0001458600000000, 0.0003442200000000, -0.0013494500000000 ] - [ -0.0002283300000000, -0.0021309700000000, 0.0007132500000000 ] - [ 0.0002688400000000, 0.0004359000000000, -0.0005690100000000 ] - [ 0.0000810900000000, 0.0002716400000000, -0.0006290700000000 ] - [ -0.0001955000000000, -0.0001714100000000, -0.0004468200000000 ] - [ -0.0002112500000000, -0.0004005100000000, -0.0008101800000000 ] - [ -0.0007125900000000, -0.0001989900000000, -0.0006750200000000 ] - [ 0.0008037400000000, 0.0006960100000000, -0.0003455100000000 ] - [ -0.0053730600000000, -0.0081749600000000, -0.0097042700000000 ] - [ -0.0031212000000000, 0.0059712900000000, -0.0098732500000000 ] - [ 0.0002575200000000, -0.0010578300000000, 0.0009832400000000 ] - [ -0.0001443100000000, 0.0004453700000000, -0.0014213800000000 ] - [ -0.0002726300000000, -0.0004665600000000, -0.0002968900000000 ] - [ -0.0004200400000000, 0.0002990900000000, -0.0007135900000000 ] - [ 0.0005072400000000, 0.0007651900000000, 0.0003130900000000 ] - [ 0.0000619600000000, -0.0003159200000000, -0.0011144200000000 ] - [ -0.0029145100000000, 0.0000936000000000, 0.0045051000000000 ] - [ 0.0006452100000000, 0.0002814800000000, -0.0016910800000000 ] - [ 0.0032714000000000, 0.0013024200000000, -0.0086229900000000 ] - [ 0.0010425400000000, 0.0005007500000000, 0.0030862500000000 ] - [ -0.0007430900000000, 0.0001320600000000, -0.0012250200000000 ] - [ -0.0004604100000000, -0.0002475700000000, 0.0010923700000000 ] - [ -0.0001125500000000, 0.0011246700000000, -0.0010776900000000 ] - [ 0.0000475900000000, -0.0001004900000000, 0.0012322600000000 ] - [ 0.0004835800000000, -0.0001712000000000, -0.0033872400000000 ] - [ -0.0004291000000000, 0.0001751600000000, 0.0014764300000000 ] - [ 0.0000464600000000, 0.0011092600000000, -0.0037980700000000 ] - [ 0.0000230600000000, 0.0005089100000000, 0.0023029700000000 ] - [ 0.0011484500000000, 0.0046642500000000, 0.0001874100000000 ] - [ 0.0012778100000000, -0.0038389600000000, 0.0017734200000000 ] - [ -0.0003757200000000, -0.0005119200000000, -0.0002446900000000 ] - [ 0.0000015800000000, -0.0000003500000000, 0.0008945200000000 ] - [ 0.0000710500000000, -0.0008695400000000, 0.0003923300000000 ] - [ -0.0003799200000000, -0.0005421000000000, -0.0001627900000000 ] - [ 0.0003256400000000, 0.0007336500000000, 0.0000168900000000 ] - [ 0.0002758900000000, 0.0009782600000000, 0.0006551900000000 ] - [ -0.0002168300000000, 0.0012284700000000, -0.0005932700000000 ] - [ 0.0003448500000000, 0.0000702900000000, 0.0006062400000000 ] - [ -0.0002788100000000, 0.0001232800000000, -0.0007488700000000 ] - [ 0.0000371300000000, 0.0004912600000000, 0.0002088700000000 ] - [ 0.0013365100000000, -0.0025185600000000, 0.0017445400000000 ] - [ 0.0002187200000000, 0.0023725500000000, 0.0008807200000000 ] - [ -0.0002830200000000, -0.0004691400000000, -0.0006034000000000 ] - [ -0.0003804400000000, 0.0002298900000000, 0.0006515800000000 ] - [ 0.0002153300000000, -0.0001601300000000, -0.0000888700000000 ] - [ -0.0006312600000000, -0.0003690900000000, 0.0003513300000000 ] - [ 0.0004134500000000, 0.0006601200000000, -0.0004520800000000 ] - [ -0.0011734400000000, -0.0005516400000000, 0.0001726600000000 ] - [ 0.0002539000000000, 0.0006658100000000, 0.0005650800000000 ] - [ 0.0001945100000000, -0.0002740000000000, 0.0002102900000000 ] - [ -0.0007597700000000, 0.0000995300000000, -0.0033179000000000 ] - [ 0.0003414700000000, -0.0009419400000000, 0.0011568800000000 ] - [ -0.0009273900000000, 0.0009822700000000, 0.0003498800000000 ] - [ 0.0020214500000000, -0.0002223900000000, 0.0007421100000000 ] - [ 0.0001880000000000, -0.0000934300000000, -0.0005507000000000 ] - [ 0.0001515700000000, -0.0006579700000000, 0.0001075300000000 ] - [ 0.0003011000000000, -0.0002183400000000, -0.0027352800000000 ] - [ 0.0001863000000000, -0.0003460500000000, 0.0010490900000000 ] - [ 0.0002227000000000, 0.0000839400000000, -0.0001109600000000 ] - [ 0.0005060800000000, -0.0001318600000000, 0.0003594600000000 ] - [ 0.0007099700000000, -0.0005287200000000, -0.0007157200000000 ] - [ 0.0004353700000000, -0.0002839800000000, 0.0008889700000000 ] - [ 0.0005051900000000, -0.0018407400000000, -0.0020001900000000 ] - [ -0.0005030800000000, -0.0000681800000000, 0.0003886800000000 ] - [ 0.0027971500000000, 0.0011258600000000, 0.0039236600000000 ] - [ 0.0045415900000000, 0.0010759200000000, -0.0065488600000000 ] - [ 0.0003220700000000, -0.0000049700000000, 0.0006861100000000 ] - [ -0.0001964500000000, -0.0003734400000000, 0.0001316100000000 ] - [ -0.0004305700000000, 0.0003615900000000, 0.0003568000000000 ] - [ -0.0006355000000000, 0.0005438700000000, 0.0000314100000000 ] - [ -0.0006829500000000, 0.0006430600000000, 0.0002669500000000 ] - [ -0.0006288900000000, 0.0007429600000000, 0.0004406900000000 ] - [ -0.0006987800000000, -0.0011986900000000, 0.0000856000000000 ] - [ 0.0000482300000000, -0.0007209500000000, 0.0005568000000000 ] - [ -0.0005141000000000, -0.0002812900000000, 0.0001399600000000 ] - [ -0.0009775900000000, -0.0002066900000000, 0.0005348400000000 ] - [ 0.0012411200000000, 0.0011093800000000, -0.0021980800000000 ] - [ -0.0000512100000000, -0.0006751400000000, 0.0008546900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001986000000000, 0.0012487700000000, 0.0013438600000000 ] - [ -0.0006191700000000, 0.0049326900000000, -0.0014818800000000 ] - [ 0.0004529300000000, 0.0010182800000000, -0.0020540700000000 ] - [ 0.0063901400000000, 0.0011968800000000, 0.0045525800000000 ] - [ 0.0002163900000000, -0.0009948400000000, 0.0013670200000000 ] - [ -0.0000441500000000, -0.0045942300000000, -0.0024378200000000 ] - [ -0.0025909900000000, -0.0046734500000000, -0.0002667900000000 ] - [ -0.0009515200000000, -0.0011696100000000, 0.0009215000000000 ] - [ 0.0064848800000000, -0.0003281100000000, 0.0028725400000000 ] - [ 0.0008423800000000, 0.0000683700000000, -0.0008836500000000 ] - [ -0.0003282300000000, 0.0048058100000000, -0.0019277700000000 ] - [ 0.0003799900000000, 0.0004749900000000, 0.0006160600000000 ] - [ -0.1446147900000000, -0.0002144400000000, -0.0004855900000000 ] - [ -0.0065206600000000, -0.0000134500000000, -0.0003188700000000 ] - [ 0.0019679600000000, 0.0013549300000000, -0.0003165000000000 ] - [ 0.0019738800000000, -0.0013688600000000, -0.0003218700000000 ] - [ -0.0002535600000000, 0.0000527200000000, 0.0004784400000000 ] - [ 0.0003909700000000, 0.0043474100000000, 0.0032139800000000 ] - [ -0.0006416400000000, -0.0000696100000000, -0.0005206400000000 ] - [ -0.0006590000000000, 0.0003506500000000, -0.0003217200000000 ] - [ 0.0017262600000000, -0.0050417500000000, -0.0013805400000000 ] - [ 0.0007949100000000, -0.0008515600000000, -0.0003050500000000 ] - [ 0.0002311700000000, -0.0025264700000000, -0.0001105300000000 ] - [ 0.0031574800000000, -0.0107450500000000, -0.0007231000000000 ] - [ -0.0011257000000000, 0.0046158900000000, -0.0005684400000000 ] - [ -0.0004036600000000, 0.0017590400000000, 0.0001033200000000 ] - [ 0.0012073500000000, -0.0002628200000000, 0.0006681400000000 ] - [ 0.0139082600000000, -0.0002196600000000, -0.0015295700000000 ] - [ 0.0028323000000000, -0.0018726200000000, 0.0002187500000000 ] - [ 0.0003952900000000, -0.0004528300000000, 0.0002398500000000 ] - [ -0.0012603200000000, 0.0009738300000000, 0.0025669700000000 ] - [ -0.0008805500000000, -0.0001539000000000, 0.0032166000000000 ] - [ -0.0017986300000000, -0.0016176900000000, -0.0099035600000000 ] - [ 0.0006869400000000, 0.0014865700000000, 0.0086664400000000 ] - [ 0.0002336400000000, 0.0003953000000000, -0.0005944600000000 ] - [ 0.0003052600000000, 0.0005554900000000, -0.0003230200000000 ] - [ -0.0002776500000000, 0.0009595100000000, -0.0006336100000000 ] - [ -0.0005410900000000, 0.0023614300000000, -0.0009193600000000 ] - [ 0.0054973600000000, 0.0042087100000000, 0.0013899600000000 ] - [ 0.0009315800000000, 0.0007501300000000, 0.0006950200000000 ] - [ 0.0010189200000000, -0.0005657600000000, -0.0005979900000000 ] - [ 0.0003301600000000, -0.0008153200000000, -0.0005255900000000 ] - [ 0.0014348600000000, -0.0002858200000000, 0.0021905100000000 ] - [ 0.0000882100000000, -0.0003098400000000, 0.0005519700000000 ] - [ -0.0002429900000000, -0.0003439400000000, -0.0001568600000000 ] - [ -0.0004725700000000, -0.0001579400000000, -0.0004441700000000 ] - [ 0.0018103100000000, -0.0002876300000000, 0.0000394000000000 ] - [ 0.0008787800000000, 0.0003782300000000, -0.0002338500000000 ] - [ 0.0021690900000000, -0.0002788800000000, -0.0000403600000000 ] - [ 0.0002121100000000, 0.0003545300000000, -0.0010632400000000 ] - [ -0.0002216900000000, -0.0011359400000000, 0.0081681200000000 ] - [ -0.0024029400000000, 0.0016857500000000, -0.0110681400000000 ] - [ 0.0006601400000000, -0.0005510900000000, -0.0006480600000000 ] - [ 0.0003143500000000, 0.0000634100000000, 0.0002580700000000 ] - [ 0.0006220200000000, -0.0002878100000000, -0.0007148100000000 ] - [ 0.0016038300000000, -0.0009532400000000, -0.0005981400000000 ] - [ 0.0016530800000000, -0.0006056900000000, -0.0003285300000000 ] - [ 0.0015951200000000, -0.0001713100000000, -0.0003157500000000 ] - [ 0.0000381500000000, 0.0008884700000000, -0.0006884300000000 ] - [ -0.0002538400000000, 0.0003184000000000, 0.0000393500000000 ] - [ -0.0016356800000000, -0.0012553300000000, -0.0004612400000000 ] - [ -0.0000017000000000, 0.0002660100000000, -0.0005178500000000 ] - [ 0.0007130500000000, 0.0000987000000000, -0.0005378400000000 ] - [ 0.0028635600000000, 0.0015449300000000, -0.0003679400000000 ] - [ 0.0335223100000000, -0.0104678600000000, -0.0284741900000000 ] - [ 0.0015281100000000, 0.0024082100000000, 0.0008588100000000 ] - [ 0.0016618800000000, 0.0294255700000000, 0.0022125400000000 ] - [ -0.0020271700000000, 0.0039682100000000, -0.0024249300000000 ] - [ -0.0002634600000000, 0.0019054000000000, -0.0024646800000000 ] - [ 0.0032022600000000, 0.0024565100000000, -0.0005505400000000 ] - [ -0.0177799700000000, -0.0186343400000000, 0.0249461500000000 ] - [ -0.0023998300000000, -0.0002824000000000, 0.0000474600000000 ] - [ 0.0030016100000000, -0.0003282900000000, 0.0006783400000000 ] - [ 0.0072211200000000, -0.0067677700000000, -0.0027063800000000 ] - [ -0.0013129000000000, -0.0015652300000000, 0.0002743600000000 ] - [ -0.0035095100000000, -0.0051446600000000, 0.0017319500000000 ] - [ -0.0042865100000000, -0.0095071400000000, -0.0015711700000000 ] - [ -0.0000954200000000, -0.0012718900000000, 0.0013339500000000 ] - [ 0.0012902900000000, 0.0010386100000000, 0.0075670700000000 ] - [ 0.0146989800000000, -0.0054901600000000, 0.0081407300000000 ] - [ -0.0002904600000000, -0.0019362600000000, 0.0021361800000000 ] - [ -0.0013070200000000, -0.0017300500000000, 0.0001797300000000 ] - [ 0.0013201200000000, 0.0003988000000000, -0.0000183400000000 ] - [ 0.0019030400000000, 0.0012839900000000, -0.0003879000000000 ] - [ 0.0003599400000000, 0.0015361600000000, -0.0055334900000000 ] - [ 0.0185005400000000, 0.0026419000000000, -0.0065468700000000 ] - [ 0.0198258700000000, -0.0034637300000000, 0.0086589300000000 ] - [ 0.0016148500000000, -0.0022563800000000, 0.0065810400000000 ] - [ -0.0020126100000000, 0.0000364600000000, -0.0009714300000000 ] - [ -0.0028179900000000, 0.0019712600000000, 0.0013684600000000 ] - [ -0.0019916400000000, 0.0006535900000000, 0.0004305000000000 ] - [ -0.0002181700000000, -0.0003104300000000, 0.0001708000000000 ] - [ -0.0009174900000000, 0.0010019600000000, 0.0005236400000000 ] - [ -0.0037064700000000, 0.0008749900000000, -0.0005776800000000 ] - [ 0.0009907700000000, -0.0003617600000000, 0.0005482000000000 ] - [ -0.0007021700000000, -0.0022104300000000, -0.0012299900000000 ] - [ -0.0023619200000000, 0.0006076300000000, -0.0005135300000000 ] - [ -0.0055369400000000, 0.0029836900000000, -0.0011909100000000 ] - [ 0.0010126700000000, -0.0032791000000000, 0.0011123400000000 ] - [ 0.0007926300000000, -0.0008180800000000, 0.0003060300000000 ] - [ -0.0018049100000000, 0.0002944400000000, -0.0001458700000000 ] - [ -0.0089200300000000, 0.0035591700000000, 0.0019663000000000 ] - [ -0.0157622500000000, 0.0031606200000000, 0.0093682000000000 ] - [ -0.0012203600000000, -0.0005698200000000, -0.0012025100000000 ] - [ 0.0130285200000000, -0.0017273000000000, -0.0019684700000000 ] - [ -0.0009059400000000, -0.0010416300000000, -0.0055600500000000 ] - [ 0.0169583900000000, 0.0060650900000000, -0.0084325600000000 ] - [ 0.0013932500000000, 0.0008092000000000, -0.0002499800000000 ] - [ 0.0003352500000000, -0.0011923400000000, 0.0001959300000000 ] - [ -0.0003813100000000, -0.0028917300000000, 0.0008772300000000 ] - [ -0.0022530300000000, 0.0004711900000000, -0.0001327600000000 ] - [ -0.0002915300000000, -0.0002298100000000, 0.0009027500000000 ] - [ 0.0182933700000000, 0.0016836100000000, -0.0068618900000000 ] - [ 0.0017246000000000, -0.0005073800000000, -0.0017594300000000 ] - [ -0.0002953900000000, -0.0013214300000000, 0.0003076400000000 ] - [ -0.0015088800000000, -0.0016997600000000, 0.0005544400000000 ] - [ 0.0019540400000000, 0.0067967200000000, -0.0074485600000000 ] - [ 0.0009295400000000, 0.0001212600000000, 0.0002240800000000 ] - [ 0.0019024100000000, -0.0009176900000000, -0.0015281900000000 ] - [ 0.0109365500000000, -0.0001031300000000, -0.0017350400000000 ] - [ -0.0004011400000000, 0.0006444400000000, -0.0005234400000000 ] - [ -0.0002147400000000, 0.0033372200000000, -0.0000935500000000 ] - [ 0.0117896900000000, -0.0050014100000000, 0.0021929600000000 ] - [ 0.0026232200000000, -0.0012417300000000, 0.0017354200000000 ] - [ 0.0041852400000000, 0.0039474000000000, 0.0075310800000000 ] - [ 0.0004838000000000, -0.0020152000000000, -0.0003328500000000 ] - [ -0.0054141100000000, -0.0025191000000000, -0.0010606800000000 ] - [ -0.0016653100000000, -0.0000425600000000, 0.0000127800000000 ] - [ -0.0021897400000000, 0.0046469600000000, 0.0007754200000000 ] - [ -0.0014419400000000, 0.0013178600000000, -0.0000951200000000 ] - [ 0.0006570800000000, -0.0002606600000000, 0.0003502200000000 ] - [ -0.0002628400000000, -0.0012250700000000, 0.0001919300000000 ] - [ -0.0011506300000000, 0.0002431900000000, 0.0002785400000000 ] - [ -0.0015437300000000, 0.0011307400000000, 0.0007013500000000 ] - [ 0.0007142200000000, 0.0015889400000000, -0.0000551600000000 ] - [ 0.0007375900000000, 0.0069833900000000, -0.0003665800000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010033400000000, -0.0005626800000000, -0.0009127300000000 ] - [ 0.0014088400000000, -0.0042360400000000, 0.0019191400000000 ] - [ -0.0014392600000000, -0.0006786200000000, 0.0024971800000000 ] - [ -0.0074287700000000, -0.0008622700000000, -0.0041669600000000 ] - [ -0.0000318800000000, -0.0000758500000000, -0.0009270500000000 ] - [ 0.0002149400000000, 0.0035080800000000, 0.0028809300000000 ] - [ 0.0018012200000000, 0.0040017200000000, 0.0007010400000000 ] - [ 0.0001478400000000, 0.0004838800000000, -0.0004874400000000 ] - [ -0.0066385400000000, 0.0013855100000000, -0.0023914800000000 ] - [ -0.0010380100000000, 0.0010022300000000, 0.0013234900000000 ] - [ 0.0013396700000000, -0.0051740000000000, 0.0023686300000000 ] - [ 0.0006172700000000, -0.0008175300000000, -0.0001815200000000 ] - [ 0.1449868700000000, -0.0002136600000000, -0.0004942300000000 ] - [ 0.0065282200000000, -0.0000136900000000, -0.0003178400000000 ] - [ -0.0019759800000000, -0.0013683200000000, -0.0003160300000000 ] - [ -0.0019700500000000, 0.0013540000000000, -0.0003210400000000 ] - [ 0.0009201400000000, 0.0003540600000000, 0.0002111000000000 ] - [ 0.0003509400000000, -0.0039397200000000, -0.0025659100000000 ] - [ -0.0008911000000000, 0.0007725200000000, -0.0001969500000000 ] - [ -0.0008732600000000, 0.0003472800000000, -0.0003968100000000 ] - [ -0.0013224600000000, 0.0044080500000000, 0.0001310600000000 ] - [ -0.0003874200000000, 0.0002016700000000, -0.0009534600000000 ] - [ -0.0002142000000000, 0.0017643800000000, 0.0008032100000000 ] - [ -0.0031482600000000, 0.0100379100000000, 0.0013885300000000 ] - [ 0.0011087900000000, -0.0038580200000000, 0.0012610000000000 ] - [ 0.0003856400000000, -0.0009902000000000, 0.0005892200000000 ] - [ -0.0018858600000000, 0.0006320900000000, 0.0000220900000000 ] - [ -0.0144432800000000, 0.0006030400000000, 0.0021390100000000 ] - [ -0.0021847900000000, 0.0015120500000000, 0.0004795400000000 ] - [ 0.0002695100000000, 0.0000859400000000, 0.0004529600000000 ] - [ 0.0013819500000000, -0.0003205900000000, -0.0020573400000000 ] - [ 0.0009677000000000, 0.0008021600000000, -0.0025953300000000 ] - [ 0.0023196800000000, 0.0011962500000000, 0.0104964800000000 ] - [ -0.0002033400000000, -0.0018898400000000, -0.0081383900000000 ] - [ -0.0003990900000000, 0.0012830200000000, -0.0001225600000000 ] - [ -0.0004691500000000, 0.0011220600000000, -0.0003966500000000 ] - [ -0.0001278700000000, -0.0003070800000000, -0.0006239700000000 ] - [ 0.0001340700000000, -0.0017024500000000, -0.0003370200000000 ] - [ -0.0061660200000000, -0.0046177500000000, -0.0006999500000000 ] - [ -0.0015862500000000, -0.0011492100000000, -0.0000036400000000 ] - [ -0.0008555000000000, -0.0011035300000000, -0.0001196400000000 ] - [ -0.0001669400000000, -0.0008577600000000, -0.0001937400000000 ] - [ -0.0015444400000000, -0.0003783400000000, -0.0016203900000000 ] - [ -0.0001978400000000, -0.0003519200000000, 0.0000157200000000 ] - [ -0.0011248800000000, -0.0006336300000000, -0.0005634400000000 ] - [ -0.0008947500000000, -0.0008181000000000, -0.0002754500000000 ] - [ -0.0004460500000000, 0.0012741400000000, -0.0007580600000000 ] - [ 0.0004898900000000, 0.0006026200000000, -0.0004859000000000 ] - [ -0.0029472500000000, 0.0002584600000000, -0.0012149800000000 ] - [ -0.0009815400000000, -0.0003801300000000, -0.0001950300000000 ] - [ -0.0003989300000000, 0.0009020100000000, -0.0076028100000000 ] - [ 0.0018283800000000, -0.0018964600000000, 0.0115535800000000 ] - [ -0.0000351100000000, 0.0007892200000000, 0.0012218600000000 ] - [ 0.0003114000000000, 0.0001747600000000, 0.0003106100000000 ] - [ 0.0001432400000000, 0.0003170400000000, -0.0005422500000000 ] - [ -0.0008407700000000, 0.0009846800000000, -0.0006592800000000 ] - [ -0.0001215500000000, -0.0000902300000000, -0.0003891500000000 ] - [ -0.0000632000000000, -0.0005225000000000, -0.0004061100000000 ] - [ -0.0005581200000000, -0.0004660600000000, 0.0012572800000000 ] - [ -0.0002653300000000, 0.0001074600000000, 0.0005278600000000 ] - [ 0.0020036200000000, 0.0019487900000000, -0.0007974700000000 ] - [ 0.0003622400000000, 0.0004167300000000, -0.0007369100000000 ] - [ -0.0010757000000000, -0.0007777400000000, -0.0007193200000000 ] - [ -0.0032224300000000, -0.0022210600000000, -0.0008884700000000 ] - [ -0.0337947200000000, 0.0111767200000000, 0.0278168700000000 ] - [ -0.0014809300000000, -0.0018228400000000, -0.0018776400000000 ] - [ -0.0012835100000000, -0.0296348300000000, -0.0032606900000000 ] - [ 0.0025242000000000, -0.0042812700000000, 0.0014157900000000 ] - [ 0.0002439000000000, -0.0025005700000000, 0.0014637400000000 ] - [ -0.0032126600000000, -0.0030592100000000, -0.0004435100000000 ] - [ 0.0169829300000000, 0.0183950100000000, -0.0258632900000000 ] - [ 0.0018528700000000, 0.0000171200000000, -0.0010514700000000 ] - [ -0.0024891900000000, 0.0006039900000000, -0.0016880500000000 ] - [ -0.0066900100000000, 0.0069946700000000, 0.0016676400000000 ] - [ 0.0008126500000000, 0.0018872400000000, -0.0012824000000000 ] - [ 0.0030169000000000, 0.0054651000000000, -0.0027438000000000 ] - [ 0.0039548800000000, 0.0100609500000000, 0.0018269600000000 ] - [ -0.0002751800000000, 0.0018042000000000, -0.0010981500000000 ] - [ -0.0026062400000000, -0.0014397800000000, -0.0072586300000000 ] - [ -0.0163251700000000, 0.0054061100000000, -0.0083257100000000 ] - [ 0.0001146900000000, 0.0024390900000000, -0.0013784400000000 ] - [ 0.0011260300000000, 0.0022376800000000, 0.0005841700000000 ] - [ -0.0008057900000000, -0.0004994500000000, 0.0007816000000000 ] - [ -0.0013908600000000, -0.0013826400000000, 0.0011511400000000 ] - [ -0.0000562400000000, -0.0001932900000000, 0.0058648800000000 ] - [ -0.0175500200000000, -0.0010447500000000, 0.0061097100000000 ] - [ -0.0188263100000000, 0.0042240700000000, -0.0084931500000000 ] - [ -0.0011186800000000, 0.0027764600000000, -0.0070454700000000 ] - [ 0.0016841600000000, -0.0004248300000000, 0.0017315600000000 ] - [ 0.0024870700000000, -0.0023456300000000, -0.0005868300000000 ] - [ 0.0017068600000000, -0.0019995300000000, -0.0001129500000000 ] - [ -0.0000784500000000, -0.0010318900000000, 0.0001523300000000 ] - [ 0.0014027600000000, 0.0008424900000000, 0.0001426400000000 ] - [ 0.0042005900000000, 0.0009615900000000, 0.0012508300000000 ] - [ -0.0007181700000000, 0.0009516200000000, -0.0003178400000000 ] - [ 0.0009430400000000, 0.0027868900000000, 0.0014737000000000 ] - [ 0.0021621100000000, 0.0000857000000000, 0.0000304400000000 ] - [ 0.0053245300000000, -0.0022722700000000, 0.0007126400000000 ] - [ 0.0002979000000000, 0.0036887500000000, -0.0007900200000000 ] - [ 0.0005175100000000, 0.0012161700000000, 0.0000179700000000 ] - [ 0.0011647000000000, -0.0003464900000000, 0.0003779400000000 ] - [ 0.0082435000000000, -0.0035863900000000, -0.0017071400000000 ] - [ 0.0154886100000000, -0.0037674300000000, -0.0091666100000000 ] - [ 0.0009275800000000, -0.0000216400000000, 0.0014476000000000 ] - [ -0.0141916100000000, 0.0021025500000000, 0.0019627400000000 ] - [ 0.0002062800000000, 0.0012113500000000, 0.0050761900000000 ] - [ -0.0159786300000000, -0.0060928900000000, 0.0092741500000000 ] - [ -0.0010461400000000, -0.0004105100000000, 0.0010086600000000 ] - [ 0.0010182900000000, -0.0001532000000000, 0.0004724700000000 ] - [ 0.0017349300000000, 0.0015355100000000, -0.0002095600000000 ] - [ 0.0040923800000000, 0.0000040000000000, 0.0007870800000000 ] - [ 0.0021260100000000, 0.0007091300000000, -0.0002392700000000 ] - [ -0.0179967000000000, -0.0024530200000000, 0.0063620400000000 ] - [ -0.0015047500000000, -0.0001891200000000, 0.0012350500000000 ] - [ 0.0009885500000000, 0.0011536900000000, -0.0007944200000000 ] - [ 0.0021936900000000, 0.0015293600000000, -0.0010448400000000 ] - [ -0.0012441300000000, -0.0068042900000000, 0.0076875400000000 ] - [ -0.0002735700000000, -0.0000766200000000, 0.0000058300000000 ] - [ -0.0009099200000000, -0.0000112000000000, 0.0018917600000000 ] - [ -0.0099823400000000, -0.0008518300000000, 0.0020730100000000 ] - [ -0.0000940500000000, -0.0011722000000000, 0.0000388400000000 ] - [ -0.0002824800000000, -0.0038630800000000, -0.0003934000000000 ] - [ -0.0122660900000000, 0.0051125300000000, -0.0013748900000000 ] - [ -0.0031357100000000, 0.0013418300000000, -0.0009695200000000 ] - [ -0.0050305000000000, -0.0047842200000000, -0.0066173400000000 ] - [ -0.0003198400000000, 0.0015288300000000, 0.0011013200000000 ] - [ 0.0044173300000000, 0.0034642000000000, 0.0013777700000000 ] - [ 0.0006607600000000, 0.0009768100000000, 0.0003121100000000 ] - [ 0.0008395900000000, -0.0033196400000000, -0.0001144000000000 ] - [ 0.0000878500000000, 0.0000226000000000, 0.0007635500000000 ] - [ -0.0011489100000000, -0.0015986400000000, 0.0003181300000000 ] - [ -0.0002229300000000, -0.0006271400000000, 0.0004729900000000 ] - [ -0.0006803100000000, -0.0007316600000000, 0.0003814600000000 ] - [ -0.0002844100000000, -0.0016247900000000, -0.0000423300000000 ] - [ -0.0003422100000000, -0.0021255300000000, 0.0002869900000000 ] - [ -0.0003684700000000, -0.0075285300000000, 0.0006030600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003724200000000, 0.0009957800000000, 0.0026345700000000 ] - [ -0.0005138000000000, -0.0037538200000000, -0.0021771100000000 ] - [ -0.0010485800000000, -0.0001753700000000, 0.0026345700000000 ] - [ 0.0035078000000000, 0.0014319500000000, -0.0021771100000000 ] - [ 0.0006761600000000, -0.0008204100000000, 0.0026345700000000 ] - [ -0.0029940100000000, 0.0023218700000000, -0.0021771100000000 ] - [ -0.0016380600000000, 0.0026342900000000, -0.0014456400000000 ] - [ -0.0000513500000000, -0.0013632600000000, 0.0020253700000000 ] - [ 0.0031003900000000, 0.0001014600000000, -0.0014456400000000 ] - [ -0.0011549400000000, 0.0007261000000000, 0.0020253700000000 ] - [ -0.0014623300000000, -0.0027357500000000, -0.0014456400000000 ] - [ 0.0012062900000000, 0.0006371600000000, 0.0020253700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1633523800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0120128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006282700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006423000000000 ] - [ -0.0009764300000000, -0.0009749100000000, 0.0012266000000000 ] - [ 0.0092057500000000, 0.0095944000000000, -0.0048861900000000 ] - [ -0.0009054300000000, 0.0001430900000000, -0.0012999200000000 ] - [ -0.0007963500000000, 0.0004973300000000, 0.0002072500000000 ] - [ -0.0008465900000000, 0.0015694200000000, -0.0003624400000000 ] - [ 0.0008352100000000, -0.0007558500000000, -0.0002299700000000 ] - [ -0.0003560900000000, 0.0013330700000000, 0.0012266000000000 ] - [ 0.0037061200000000, -0.0127696100000000, -0.0048861900000000 ] - [ -0.0007748700000000, 0.0039486200000000, -0.0006594200000000 ] - [ 0.0002341900000000, -0.0009192300000000, 0.0008179300000000 ] - [ 0.0013325100000000, -0.0003581500000000, 0.0012266000000000 ] - [ -0.0129118700000000, 0.0031752100000000, -0.0048861900000000 ] - [ 0.0038070400000000, -0.0013032500000000, -0.0006594200000000 ] - [ -0.0009131700000000, 0.0002568000000000, 0.0008179300000000 ] - [ -0.0009384600000000, -0.0012350900000000, 0.0077116000000000 ] - [ -0.0008670100000000, 0.0052349400000000, 0.0112434700000000 ] - [ -0.0006003900000000, 0.0014302700000000, 0.0077116000000000 ] - [ 0.0049671000000000, -0.0018666100000000, 0.0112434700000000 ] - [ 0.0000138400000000, 0.0007355600000000, 0.0001775500000000 ] - [ 0.0001337600000000, 0.0007544500000000, -0.0005327400000000 ] - [ -0.0002141200000000, -0.0000289400000000, -0.0002829700000000 ] - [ -0.0002236500000000, 0.0015884800000000, -0.0010319400000000 ] - [ -0.0030321700000000, -0.0026453600000000, -0.0006594200000000 ] - [ 0.0006789800000000, 0.0006624300000000, 0.0008179300000000 ] - [ 0.0003288000000000, -0.0008556700000000, -0.0012999200000000 ] - [ -0.0000325200000000, -0.0009383200000000, 0.0002072500000000 ] - [ -0.0005503600000000, -0.0002372100000000, -0.0024540900000000 ] - [ 0.0002166700000000, -0.0003284400000000, 0.0021594400000000 ] - [ -0.0006439300000000, -0.0003557900000000, 0.0001775500000000 ] - [ -0.0007202500000000, -0.0002613900000000, -0.0005327400000000 ] - [ 0.0005766300000000, 0.0007125800000000, -0.0012999200000000 ] - [ 0.0008288700000000, 0.0004409900000000, 0.0002072500000000 ] - [ 0.0017824500000000, -0.0000515400000000, -0.0003624400000000 ] - [ -0.0010721900000000, -0.0003453900000000, -0.0002299700000000 ] - [ 0.0015388500000000, -0.0001951900000000, 0.0077116000000000 ] - [ -0.0041000800000000, -0.0033683300000000, 0.0112434700000000 ] - [ 0.0004806100000000, -0.0003580200000000, -0.0024540900000000 ] - [ 0.0001761000000000, 0.0003518600000000, 0.0021594400000000 ] - [ 0.0000820000000000, 0.0001999100000000, -0.0002829700000000 ] - [ 0.0014874800000000, -0.0006005500000000, -0.0010319400000000 ] - [ 0.0006300900000000, -0.0003797700000000, 0.0001775500000000 ] - [ 0.0005865000000000, -0.0004930600000000, -0.0005327400000000 ] - [ 0.0000697500000000, 0.0005952400000000, -0.0024540900000000 ] - [ -0.0003927700000000, -0.0000234300000000, 0.0021594400000000 ] - [ -0.0009358600000000, -0.0015178800000000, -0.0003624400000000 ] - [ 0.0002369800000000, 0.0011012400000000, -0.0002299700000000 ] - [ 0.0001321200000000, -0.0001709700000000, -0.0002829700000000 ] - [ -0.0012638400000000, -0.0009879200000000, -0.0010319400000000 ] - [ -0.0281699900000000, -0.0128043600000000, -0.0028571100000000 ] - [ 0.0033757100000000, 0.0050089300000000, 0.0032172200000000 ] - [ 0.0029960900000000, 0.0307981100000000, -0.0028571100000000 ] - [ 0.0026500000000000, -0.0054279100000000, 0.0032172200000000 ] - [ 0.0001718100000000, -0.0018134600000000, 0.0014070200000000 ] - [ 0.0033778100000000, 0.0011151700000000, -0.0006603500000000 ] - [ 0.0251739000000000, -0.0179937500000000, -0.0028571100000000 ] - [ -0.0060257100000000, 0.0004189800000000, 0.0032172200000000 ] - [ 0.0014846000000000, 0.0010555200000000, 0.0014070200000000 ] - [ -0.0026546700000000, 0.0023676800000000, -0.0006603500000000 ] - [ -0.0016564100000000, 0.0007579400000000, 0.0014070200000000 ] - [ -0.0007231400000000, -0.0034828500000000, -0.0006603500000000 ] - [ -0.0020514700000000, -0.0095429500000000, -0.0026305800000000 ] - [ -0.0001727700000000, 0.0019370000000000, -0.0013219200000000 ] - [ -0.0006957800000000, -0.0011546300000000, -0.0064042000000000 ] - [ 0.0029034800000000, -0.0024153600000000, 0.0195914100000000 ] - [ 0.0003117000000000, 0.0016521800000000, -0.0011812700000000 ] - [ -0.0016602600000000, -0.0011733100000000, 0.0006007800000000 ] - [ 0.0012749900000000, -0.0010960300000000, -0.0011812700000000 ] - [ -0.0001859900000000, 0.0020244800000000, 0.0006007800000000 ] - [ -0.0006520500000000, 0.0011798800000000, -0.0064042000000000 ] - [ -0.0035435100000000, -0.0013068000000000, 0.0195914100000000 ] - [ 0.0110268600000000, -0.0036138300000000, 0.0203055300000000 ] - [ 0.0000528900000000, 0.0036223100000000, -0.0071425400000000 ] - [ -0.0015866800000000, -0.0005561600000000, -0.0011812700000000 ] - [ 0.0018462400000000, -0.0008511700000000, 0.0006007800000000 ] - [ -0.0023708000000000, 0.0001738000000000, 0.0022897700000000 ] - [ 0.0005249900000000, -0.0010298900000000, -0.0015854200000000 ] - [ -0.0000260300000000, 0.0008156500000000, -0.0007180000000000 ] - [ 0.0006512100000000, 0.0010764300000000, 0.0015882600000000 ] - [ 0.0002188200000000, 0.0009595300000000, -0.0014118300000000 ] - [ -0.0050474900000000, -0.0037144800000000, 0.0027386200000000 ] - [ -0.0009926400000000, 0.0005091500000000, -0.0018756400000000 ] - [ 0.0022047400000000, -0.0010283200000000, 0.0014319800000000 ] - [ 0.0010348900000000, -0.0021400800000000, 0.0022897700000000 ] - [ 0.0006294100000000, 0.0009696000000000, -0.0015854200000000 ] - [ -0.0009403900000000, -0.0002902600000000, -0.0014118300000000 ] - [ 0.0057405800000000, -0.0025140200000000, 0.0027386200000000 ] - [ 0.0092901800000000, 0.0029948500000000, -0.0026305800000000 ] - [ -0.0015911100000000, -0.0011181200000000, -0.0013219200000000 ] - [ -0.0023837600000000, 0.0113564500000000, 0.0203055300000000 ] - [ -0.0031634600000000, -0.0017653500000000, -0.0071425400000000 ] - [ -0.0065611000000000, 0.0020745800000000, 0.0148233500000000 ] - [ 0.0023971600000000, 0.0012596600000000, -0.0031349500000000 ] - [ 0.0007193900000000, -0.0003852800000000, -0.0007180000000000 ] - [ 0.0006066100000000, -0.0011021800000000, 0.0015882600000000 ] - [ -0.0005827800000000, 0.0002561500000000, 0.0005147900000000 ] - [ 0.0015945400000000, 0.0005963100000000, -0.0004033000000000 ] - [ -0.0086431000000000, -0.0077426200000000, 0.0203055300000000 ] - [ 0.0031105700000000, -0.0018569600000000, -0.0071425400000000 ] - [ 0.0009372500000000, 0.0006050800000000, -0.0018756400000000 ] - [ -0.0019929200000000, -0.0013952000000000, 0.0014319800000000 ] - [ -0.0072387000000000, 0.0065481000000000, -0.0026305800000000 ] - [ 0.0017638800000000, -0.0008188800000000, -0.0013219200000000 ] - [ 0.0013478300000000, -0.0000252500000000, -0.0064042000000000 ] - [ 0.0006400300000000, 0.0037221700000000, 0.0195914100000000 ] - [ 0.0000553900000000, -0.0011142200000000, -0.0018756400000000 ] - [ -0.0002118200000000, 0.0024235200000000, 0.0014319800000000 ] - [ 0.0014839100000000, -0.0067193700000000, 0.0148233500000000 ] - [ -0.0022894700000000, 0.0014461700000000, -0.0031349500000000 ] - [ 0.0050771900000000, 0.0046447900000000, 0.0148233500000000 ] - [ -0.0001076800000000, -0.0027058300000000, -0.0031349500000000 ] - [ 0.0013359200000000, 0.0019662800000000, 0.0022897700000000 ] - [ -0.0011544100000000, 0.0000602900000000, -0.0015854200000000 ] - [ 0.0000695600000000, -0.0006327800000000, 0.0005147900000000 ] - [ -0.0013136900000000, 0.0010827600000000, -0.0004033000000000 ] - [ 0.0005132200000000, 0.0003766300000000, 0.0005147900000000 ] - [ -0.0002808500000000, -0.0016790700000000, -0.0004033000000000 ] - [ -0.0006933600000000, -0.0004303700000000, -0.0007180000000000 ] - [ -0.0012578200000000, 0.0000257500000000, 0.0015882600000000 ] - [ 0.0007215700000000, -0.0006692700000000, -0.0014118300000000 ] - [ -0.0006930800000000, 0.0062284900000000, 0.0027386200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004424300000000, -0.0002999200000000, -0.0022068000000000 ] - [ 0.0013257200000000, 0.0044578300000000, 0.0026399000000000 ] - [ 0.0000385200000000, 0.0005331200000000, -0.0022068000000000 ] - [ -0.0045234500000000, -0.0010808100000000, 0.0026399000000000 ] - [ -0.0004809500000000, -0.0002332000000000, -0.0022068000000000 ] - [ 0.0031977300000000, -0.0033770200000000, 0.0026399000000000 ] - [ 0.0008371500000000, -0.0033277800000000, 0.0018716200000000 ] - [ -0.0007630400000000, 0.0006787200000000, -0.0015899700000000 ] - [ -0.0033005200000000, 0.0009389000000000, 0.0018716200000000 ] - [ 0.0009693000000000, 0.0003214500000000, -0.0015899700000000 ] - [ 0.0024633700000000, 0.0023888800000000, 0.0018716200000000 ] - [ -0.0002062700000000, -0.0010001700000000, -0.0015899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1625962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126687100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012847100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012670900000000 ] - [ 0.0016229700000000, 0.0013650700000000, -0.0005346100000000 ] - [ -0.0086006100000000, -0.0092796400000000, 0.0055920200000000 ] - [ -0.0006247800000000, 0.0005549200000000, 0.0005801600000000 ] - [ -0.0007344900000000, 0.0001977800000000, -0.0009295700000000 ] - [ 0.0012548600000000, -0.0022303700000000, -0.0008958300000000 ] - [ -0.0004301400000000, 0.0001117200000000, -0.0010267700000000 ] - [ 0.0003707000000000, -0.0020880700000000, -0.0005346100000000 ] - [ -0.0037361000000000, 0.0120881700000000, 0.0055920200000000 ] - [ 0.0007560900000000, -0.0031968500000000, 0.0013497000000000 ] - [ -0.0002530700000000, 0.0016939700000000, -0.0001272300000000 ] - [ -0.0019936700000000, 0.0007230000000000, -0.0005346100000000 ] - [ 0.0123367100000000, -0.0028085300000000, 0.0055920200000000 ] - [ -0.0031466000000000, 0.0009436400000000, 0.0013497000000000 ] - [ 0.0015935500000000, -0.0006278200000000, -0.0001272300000000 ] - [ 0.0010482300000000, 0.0018631300000000, -0.0071483400000000 ] - [ 0.0009689900000000, -0.0046806300000000, -0.0107789400000000 ] - [ 0.0010894000000000, -0.0018393600000000, -0.0071483400000000 ] - [ -0.0045380400000000, 0.0015011500000000, -0.0107789400000000 ] - [ -0.0001764300000000, 0.0009390900000000, -0.0009017200000000 ] - [ -0.0002959800000000, 0.0009193500000000, -0.0001867100000000 ] - [ -0.0001927500000000, 0.0006779000000000, -0.0009760700000000 ] - [ -0.0001834000000000, -0.0009435200000000, -0.0002246400000000 ] - [ 0.0023905100000000, 0.0022532200000000, 0.0013497000000000 ] - [ -0.0013404800000000, -0.0010661500000000, -0.0001272300000000 ] - [ -0.0001681900000000, -0.0008185400000000, 0.0005801600000000 ] - [ 0.0001959600000000, -0.0007349800000000, -0.0009295700000000 ] - [ 0.0004459700000000, -0.0004251300000000, 0.0030301200000000 ] - [ -0.0003256600000000, -0.0003332900000000, -0.0015970900000000 ] - [ -0.0007250600000000, -0.0006223400000000, -0.0009017200000000 ] - [ -0.0006481900000000, -0.0007160000000000, -0.0001867100000000 ] - [ 0.0007929700000000, 0.0002636100000000, 0.0005801600000000 ] - [ 0.0005385300000000, 0.0005372000000000, -0.0009295700000000 ] - [ -0.0025589900000000, 0.0000284500000000, -0.0008958300000000 ] - [ 0.0003118300000000, 0.0003166500000000, -0.0010267700000000 ] - [ -0.0021376300000000, -0.0000237700000000, -0.0071483400000000 ] - [ 0.0035690500000000, 0.0031794800000000, -0.0107789400000000 ] - [ 0.0001451900000000, 0.0005987900000000, 0.0030301200000000 ] - [ 0.0004514700000000, -0.0001153800000000, -0.0015970900000000 ] - [ 0.0006834600000000, -0.0001720300000000, -0.0009760700000000 ] - [ -0.0007254200000000, 0.0006305900000000, -0.0002246400000000 ] - [ 0.0009014900000000, -0.0003167500000000, -0.0009017200000000 ] - [ 0.0009441700000000, -0.0002033500000000, -0.0001867100000000 ] - [ -0.0005911600000000, -0.0001736600000000, 0.0030301200000000 ] - [ -0.0001258100000000, 0.0004486800000000, -0.0015970900000000 ] - [ 0.0013041300000000, 0.0022019300000000, -0.0008958300000000 ] - [ 0.0001183200000000, -0.0004283800000000, -0.0010267700000000 ] - [ -0.0004907100000000, -0.0005058800000000, -0.0009760700000000 ] - [ 0.0009088100000000, 0.0003129400000000, -0.0002246400000000 ] - [ 0.0280965400000000, 0.0132226700000000, 0.0016517900000000 ] - [ -0.0033845500000000, -0.0044415100000000, -0.0042339400000000 ] - [ -0.0025971100000000, -0.0309436500000000, 0.0016517900000000 ] - [ -0.0021541800000000, 0.0051518700000000, -0.0042339400000000 ] - [ -0.0002075600000000, 0.0012297500000000, -0.0024275700000000 ] - [ -0.0034115400000000, -0.0017092700000000, -0.0003412800000000 ] - [ -0.0254994400000000, 0.0177209900000000, 0.0016517900000000 ] - [ 0.0055387400000000, -0.0007103500000000, -0.0042339400000000 ] - [ -0.0009612100000000, -0.0007946200000000, -0.0024275700000000 ] - [ 0.0031860400000000, -0.0020998500000000, -0.0003412800000000 ] - [ 0.0011687700000000, -0.0004351200000000, -0.0024275700000000 ] - [ 0.0002255000000000, 0.0038091200000000, -0.0003412800000000 ] - [ 0.0017371800000000, 0.0100996100000000, 0.0029175200000000 ] - [ -0.0002015700000000, -0.0014152800000000, 0.0015524300000000 ] - [ -0.0006009800000000, 0.0007375300000000, 0.0067431900000000 ] - [ -0.0047322500000000, 0.0024460000000000, -0.0198150000000000 ] - [ -0.0004790800000000, -0.0011639200000000, 0.0019552300000000 ] - [ 0.0014951500000000, 0.0016728800000000, 0.0001549100000000 ] - [ -0.0007684500000000, 0.0009968600000000, 0.0019552300000000 ] - [ 0.0007011800000000, -0.0021312800000000, 0.0001549100000000 ] - [ 0.0009392100000000, 0.0001516900000000, 0.0067431900000000 ] - [ 0.0044844200000000, 0.0028752500000000, -0.0198150000000000 ] - [ -0.0098557900000000, 0.0044194600000000, -0.0201038600000000 ] - [ 0.0004342400000000, -0.0031278900000000, 0.0066822700000000 ] - [ 0.0012475300000000, 0.0001670700000000, 0.0019552300000000 ] - [ -0.0021963300000000, 0.0004584000000000, 0.0001549100000000 ] - [ 0.0020753700000000, -0.0015182400000000, -0.0019669000000000 ] - [ -0.0008359200000000, -0.0003067100000000, 0.0019110000000000 ] - [ 0.0005158600000000, 0.0010245700000000, 0.0013894000000000 ] - [ -0.0001662300000000, 0.0007651000000000, -0.0009249400000000 ] - [ 0.0000726600000000, -0.0003695500000000, 0.0016517500000000 ] - [ 0.0053492600000000, 0.0043190400000000, -0.0025171600000000 ] - [ 0.0007886100000000, 0.0001853300000000, 0.0013977600000000 ] - [ -0.0024178000000000, 0.0017236600000000, -0.0019244200000000 ] - [ 0.0002771500000000, 0.0025564400000000, -0.0019669000000000 ] - [ 0.0006835700000000, -0.0005705700000000, 0.0019110000000000 ] - [ 0.0002837100000000, 0.0002477000000000, 0.0016517500000000 ] - [ -0.0064150200000000, 0.0024730700000000, -0.0025171600000000 ] - [ -0.0096151000000000, -0.0035453600000000, 0.0029175200000000 ] - [ 0.0013264500000000, 0.0005330700000000, 0.0015524300000000 ] - [ 0.0011005300000000, -0.0107450900000000, -0.0201038600000000 ] - [ 0.0024917100000000, 0.0019400000000000, 0.0066822700000000 ] - [ 0.0069469300000000, -0.0018164900000000, -0.0139454500000000 ] - [ -0.0020686600000000, -0.0008640800000000, 0.0039055300000000 ] - [ 0.0006293700000000, -0.0009590300000000, 0.0013894000000000 ] - [ 0.0007457200000000, -0.0002385900000000, -0.0009249400000000 ] - [ 0.0024268000000000, 0.0002380900000000, 0.0001537100000000 ] - [ 0.0002396600000000, -0.0000989800000000, 0.0010695200000000 ] - [ 0.0087552600000000, 0.0063256400000000, -0.0201038600000000 ] - [ -0.0029259500000000, 0.0011878800000000, 0.0066822700000000 ] - [ -0.0002338100000000, -0.0007756200000000, 0.0013977600000000 ] - [ 0.0027016400000000, 0.0012320500000000, -0.0019244200000000 ] - [ 0.0078779300000000, -0.0065542400000000, 0.0029175200000000 ] - [ -0.0011248800000000, 0.0008822000000000, 0.0015524300000000 ] - [ -0.0003382300000000, -0.0008892200000000, 0.0067431900000000 ] - [ 0.0002478300000000, -0.0053212500000000, -0.0198150000000000 ] - [ -0.0005548000000000, 0.0005902900000000, 0.0013977600000000 ] - [ -0.0002838400000000, -0.0029557100000000, -0.0019244200000000 ] - [ -0.0019003400000000, 0.0069244600000000, -0.0139454500000000 ] - [ 0.0017826500000000, -0.0013594800000000, 0.0039055300000000 ] - [ -0.0050465900000000, -0.0051079700000000, -0.0139454500000000 ] - [ 0.0002860200000000, 0.0022235600000000, 0.0039055300000000 ] - [ -0.0023525200000000, -0.0010382000000000, -0.0019669000000000 ] - [ 0.0001523400000000, 0.0008772800000000, 0.0019110000000000 ] - [ -0.0014195900000000, 0.0019826300000000, 0.0001537100000000 ] - [ -0.0000341100000000, 0.0002570400000000, 0.0010695200000000 ] - [ -0.0010072100000000, -0.0022207200000000, 0.0001537100000000 ] - [ -0.0002055500000000, -0.0001580600000000, 0.0010695200000000 ] - [ -0.0011452300000000, -0.0000655400000000, 0.0013894000000000 ] - [ -0.0005794800000000, -0.0005265200000000, -0.0009249400000000 ] - [ -0.0003563700000000, 0.0001218500000000, 0.0016517500000000 ] - [ 0.0010657700000000, -0.0067921100000000, -0.0025171600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011542900000000, 0.0021857800000000, 0.0004575400000000 ] - [ 0.0004614300000000, 0.0006236400000000, 0.0001698000000000 ] - [ -0.0005850400000000, -0.0018823900000000, 0.0002025700000000 ] - [ -0.0006468900000000, 0.0000462800000000, 0.0001681700000000 ] - [ 0.0049333300000000, -0.0014580400000000, -0.0000051700000000 ] - [ 0.0003315500000000, -0.0007299100000000, 0.0001334800000000 ] - [ -0.0002783400000000, -0.0001088000000000, 0.0002587300000000 ] - [ -0.0002774900000000, -0.0001573500000000, 0.0002277200000000 ] - [ 0.0004972700000000, 0.0006497800000000, 0.0002739400000000 ] - [ 0.0004896800000000, 0.0007435200000000, 0.0002711800000000 ] - [ -0.0011019200000000, -0.0006103900000000, 0.0015092900000000 ] - [ -0.0006155000000000, -0.0011653300000000, -0.0028571900000000 ] - [ -0.0005824700000000, 0.0016687200000000, -0.0016073200000000 ] - [ 0.0000073500000000, 0.0085021300000000, 0.0084989400000000 ] - [ 0.0057954300000000, -0.0002222700000000, 0.0023769100000000 ] - [ 0.0012514400000000, -0.0004156600000000, -0.0013201200000000 ] - [ -0.1467657400000000, -0.1128860500000000, 0.0333229000000000 ] - [ -0.0002279000000000, -0.0002673900000000, 0.0003764800000000 ] - [ -0.0008596800000000, 0.0002292400000000, -0.0004080200000000 ] - [ -0.0013268500000000, -0.0001163300000000, -0.0003446400000000 ] - [ 0.0001267900000000, -0.0004630100000000, -0.0006295700000000 ] - [ 0.0001536700000000, -0.0004034400000000, -0.0006626300000000 ] - [ -0.0001600900000000, 0.0008225300000000, 0.0007886500000000 ] - [ -0.0000319900000000, -0.0001700600000000, 0.0003906200000000 ] - [ -0.0001133400000000, 0.0012620900000000, 0.0003973300000000 ] - [ -0.0001408900000000, 0.0017942000000000, -0.0001008900000000 ] - [ 0.0011374100000000, -0.0000717100000000, 0.0007168900000000 ] - [ -0.0000052100000000, 0.0001847900000000, 0.0003694400000000 ] - [ 0.0018400000000000, -0.0006534900000000, -0.0000248600000000 ] - [ 0.0012229100000000, -0.0004921600000000, 0.0002172100000000 ] - [ -0.0000400200000000, -0.0007212000000000, -0.0071970600000000 ] - [ -0.0001524400000000, 0.0003228100000000, 0.0009470500000000 ] - [ -0.0002075400000000, 0.0003931100000000, -0.0004732800000000 ] - [ 0.0002572600000000, -0.0001951300000000, 0.0002654600000000 ] - [ -0.0001218000000000, 0.0006756100000000, -0.0004172900000000 ] - [ -0.0001257300000000, 0.0008026600000000, -0.0003928200000000 ] - [ -0.0027108600000000, 0.0079393100000000, -0.0007259100000000 ] - [ -0.0002847600000000, 0.0003724100000000, -0.0006401100000000 ] - [ -0.0005696900000000, -0.0008286200000000, 0.0004463900000000 ] - [ -0.0005679100000000, -0.0005554700000000, 0.0001855200000000 ] - [ 0.0000511800000000, -0.0008337700000000, -0.0003422600000000 ] - [ -0.0001393400000000, -0.0008377100000000, -0.0007866400000000 ] - [ 0.0000173200000000, -0.0002932700000000, 0.0007333400000000 ] - [ 0.0002212500000000, -0.0005734800000000, -0.0000083800000000 ] - [ -0.0014563700000000, -0.0004216000000000, 0.0001758200000000 ] - [ -0.0006380200000000, -0.0004768600000000, -0.0003637000000000 ] - [ 0.0006423600000000, 0.0004457100000000, -0.0003576700000000 ] - [ 0.0004785600000000, 0.0004245100000000, -0.0004015500000000 ] - [ -0.0002803400000000, 0.0001248900000000, -0.0004889900000000 ] - [ -0.0002470500000000, 0.0001026400000000, -0.0007446100000000 ] - [ 0.0001853600000000, 0.0006474600000000, -0.0005461500000000 ] - [ -0.0003048100000000, -0.0000654900000000, 0.0004217700000000 ] - [ 0.0003271000000000, 0.0000817000000000, 0.0003272500000000 ] - [ 0.0006340700000000, 0.0000451900000000, 0.0000089000000000 ] - [ 0.0010716800000000, 0.0000001400000000, -0.0007717800000000 ] - [ 0.0005014600000000, -0.0000464700000000, -0.0006460500000000 ] - [ 0.0006512400000000, -0.0002840900000000, -0.0002190400000000 ] - [ 0.0007133600000000, -0.0003658100000000, -0.0003755200000000 ] - [ -0.0003017400000000, 0.0000761700000000, 0.0008197600000000 ] - [ 0.0007681000000000, 0.0008530100000000, -0.0024568400000000 ] - [ -0.0004007600000000, -0.0008589400000000, -0.0012132200000000 ] - [ -0.0004958400000000, -0.0002592200000000, -0.0003891000000000 ] - [ -0.0001339700000000, -0.0001924600000000, -0.0006534700000000 ] - [ -0.0001355900000000, -0.0003231900000000, -0.0006147300000000 ] - [ -0.0020719000000000, -0.0003930700000000, -0.0002330400000000 ] - [ -0.0008536200000000, -0.0008735800000000, -0.0013605000000000 ] - [ 0.0007181500000000, 0.0019263300000000, -0.0002087000000000 ] - [ 0.0010453900000000, 0.0019953800000000, 0.0000075600000000 ] - [ 0.0299200100000000, -0.0013011800000000, 0.0137397900000000 ] - [ -0.0006885400000000, -0.0002127300000000, -0.0009297000000000 ] - [ 0.0037009300000000, -0.0007139200000000, -0.0020590300000000 ] - [ -0.0001243300000000, -0.0021827900000000, 0.0023877800000000 ] - [ 0.0025804500000000, -0.0008123400000000, 0.0000537800000000 ] - [ 0.0009301200000000, -0.0001174800000000, -0.0004269400000000 ] - [ 0.0011862600000000, 0.0012000700000000, -0.0017414600000000 ] - [ 0.0000507300000000, 0.0002867700000000, -0.0007673400000000 ] - [ -0.0006370800000000, -0.0011245800000000, -0.0004482100000000 ] - [ -0.0008555700000000, -0.0013599600000000, -0.0001254600000000 ] - [ 0.0006068600000000, -0.0023779700000000, 0.0000177100000000 ] - [ -0.0004403200000000, -0.0004229800000000, 0.0002958200000000 ] - [ -0.0057416900000000, 0.0042649600000000, -0.0066668000000000 ] - [ 0.0000563700000000, 0.0003881200000000, 0.0008732400000000 ] - [ -0.0010066300000000, -0.0006642100000000, 0.0007417600000000 ] - [ -0.0000066500000000, -0.0001621500000000, 0.0006161900000000 ] - [ -0.0021039100000000, -0.0009002400000000, 0.0001570100000000 ] - [ -0.0001374200000000, 0.0004932900000000, 0.0001646100000000 ] - [ 0.0000015700000000, -0.0011467300000000, 0.0002672600000000 ] - [ -0.0005502200000000, -0.0012721600000000, -0.0009245600000000 ] - [ -0.0017281200000000, -0.0000998000000000, 0.0000336600000000 ] - [ -0.0006641700000000, -0.0001807100000000, 0.0003064700000000 ] - [ -0.0016310500000000, -0.0006102700000000, -0.0001913300000000 ] - [ -0.0010540900000000, -0.0004919400000000, 0.0003840900000000 ] - [ 0.0004774900000000, 0.0009502100000000, 0.0003606600000000 ] - [ 0.0002744400000000, 0.0009597300000000, 0.0003380100000000 ] - [ -0.0129911900000000, -0.0170025500000000, 0.0005378500000000 ] - [ 0.0007937300000000, 0.0004242700000000, 0.0002284800000000 ] - [ -0.0021873400000000, 0.0014383500000000, -0.0002346300000000 ] - [ -0.0005358800000000, 0.0006190600000000, -0.0004743800000000 ] - [ 0.0005075000000000, -0.0005852900000000, -0.0009215900000000 ] - [ -0.0003644100000000, -0.0006716000000000, 0.0026710300000000 ] - [ -0.0016710700000000, 0.0007143700000000, 0.0002929100000000 ] - [ -0.0006884600000000, 0.0001139300000000, 0.0001943900000000 ] - [ 0.0008744300000000, 0.0002945600000000, -0.0005291100000000 ] - [ 0.0003512200000000, 0.0000288900000000, 0.0002078800000000 ] - [ 0.0008017300000000, 0.0001650400000000, 0.0003953600000000 ] - [ 0.0012442000000000, 0.0005762800000000, -0.0003223800000000 ] - [ -0.0016125200000000, -0.0006948600000000, 0.0015538200000000 ] - [ -0.0005778600000000, 0.0004297900000000, -0.0018967800000000 ] - [ 0.0017166700000000, -0.0057312500000000, 0.0001952900000000 ] - [ 0.0007479400000000, -0.0007575000000000, 0.0003558700000000 ] - [ 0.0008462400000000, 0.0001369800000000, 0.0001646200000000 ] - [ 0.0008744700000000, 0.0000649200000000, 0.0005442300000000 ] - [ -0.0017188500000000, 0.0006515800000000, 0.0058629600000000 ] - [ 0.0003575600000000, 0.0000922200000000, -0.0018333900000000 ] - [ -0.0113018800000000, -0.0028287600000000, -0.0014573100000000 ] - [ 0.0005829900000000, -0.0000201400000000, -0.0004483400000000 ] - [ -0.0009733400000000, 0.0011807000000000, 0.0010890500000000 ] - [ -0.0000348600000000, 0.0015782700000000, -0.0006675800000000 ] - [ 0.1445396900000000, 0.1231682100000000, -0.0410540800000000 ] - [ 0.0009763700000000, -0.0002202100000000, -0.0001260000000000 ] - [ -0.0014424600000000, -0.0007101500000000, 0.0000980900000000 ] - [ -0.0005033700000000, -0.0003116400000000, -0.0001927100000000 ] - [ -0.0003364200000000, -0.0006257400000000, 0.0003113800000000 ] - [ -0.0006949100000000, -0.0013363100000000, 0.0001809800000000 ] - [ 0.0007782500000000, 0.0000190700000000, 0.0003121200000000 ] - [ 0.0013193100000000, 0.0013273200000000, 0.0009008800000000 ] - [ -0.0007234000000000, 0.0011587600000000, -0.0005648700000000 ] - [ -0.0007185000000000, 0.0008627700000000, 0.0005578600000000 ] - [ -0.0006137400000000, 0.0008358200000000, 0.0003655900000000 ] - [ -0.0005938300000000, 0.0007791400000000, 0.0003460700000000 ] - [ 0.0011205500000000, -0.0002391100000000, 0.0001327000000000 ] - [ 0.0006078800000000, -0.0006491600000000, 0.0006087000000000 ] - [ -0.0014410500000000, 0.0011145200000000, 0.0003649900000000 ] - [ -0.0009084600000000, -0.0000163000000000, 0.0004388600000000 ] - [ -0.0005548400000000, -0.0015344800000000, 0.0006238700000000 ] - [ 0.0000054900000000, -0.0004972700000000, 0.0002524900000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003613000000000, -0.0015266400000000, -0.0000278700000000 ] - [ 0.0003421200000000, 0.0000592000000000, 0.0002646900000000 ] - [ -0.0003884800000000, 0.0022477400000000, 0.0002309200000000 ] - [ -0.0003401400000000, 0.0003010100000000, 0.0002623200000000 ] - [ -0.0047196100000000, 0.0004136900000000, 0.0004374700000000 ] - [ -0.0001421100000000, -0.0003396100000000, 0.0003144500000000 ] - [ -0.0005282800000000, -0.0005820800000000, 0.0001733400000000 ] - [ -0.0005284300000000, -0.0005348200000000, 0.0002065600000000 ] - [ -0.0006974700000000, 0.0004231300000000, 0.0001719500000000 ] - [ -0.0006873700000000, 0.0003290300000000, 0.0001734500000000 ] - [ 0.0021178100000000, 0.0002770000000000, -0.0010819600000000 ] - [ 0.0016237600000000, 0.0008466500000000, 0.0033188900000000 ] - [ 0.0005906500000000, -0.0016887500000000, 0.0009918100000000 ] - [ -0.0000337700000000, -0.0086645000000000, -0.0093080200000000 ] - [ -0.0058674400000000, 0.0002290300000000, -0.0030460700000000 ] - [ -0.0012660400000000, 0.0004255900000000, 0.0006993000000000 ] - [ 0.1423378100000000, 0.1040278300000000, -0.0297125300000000 ] - [ 0.0008894600000000, 0.0006717700000000, 0.0003156600000000 ] - [ -0.0006710200000000, 0.0004687700000000, -0.0003120500000000 ] - [ -0.0001985900000000, 0.0008110200000000, -0.0003706900000000 ] - [ 0.0002810600000000, -0.0001886800000000, -0.0006278100000000 ] - [ 0.0002543800000000, -0.0002519100000000, -0.0005949200000000 ] - [ 0.0001832000000000, -0.0016113300000000, -0.0001034300000000 ] - [ 0.0000508400000000, -0.0006018100000000, 0.0003009000000000 ] - [ 0.0000969300000000, -0.0005071800000000, 0.0002944700000000 ] - [ 0.0001242900000000, -0.0010470600000000, 0.0007996200000000 ] - [ -0.0018396900000000, 0.0004451700000000, -0.0000334100000000 ] - [ -0.0006724100000000, 0.0001836000000000, 0.0003218500000000 ] - [ -0.0011816900000000, 0.0002901800000000, 0.0007198900000000 ] - [ -0.0005584600000000, 0.0001272700000000, 0.0004767100000000 ] - [ 0.0001166100000000, 0.0013891500000000, 0.0079339300000000 ] - [ 0.0002627900000000, 0.0003393400000000, -0.0003860700000000 ] - [ 0.0007317400000000, -0.0008257000000000, 0.0010499300000000 ] - [ 0.0002617700000000, -0.0002315200000000, 0.0002954100000000 ] - [ -0.0000403100000000, 0.0009978900000000, -0.0003048000000000 ] - [ -0.0000365700000000, 0.0008716000000000, -0.0003264300000000 ] - [ 0.0023415300000000, -0.0074134500000000, -0.0005299200000000 ] - [ -0.0001209800000000, 0.0002774500000000, -0.0006171100000000 ] - [ -0.0000811400000000, 0.0004391300000000, 0.0002449700000000 ] - [ -0.0000793800000000, 0.0001650400000000, 0.0005095300000000 ] - [ 0.0001122600000000, -0.0008410600000000, -0.0003781500000000 ] - [ 0.0003053700000000, -0.0008378700000000, 0.0000763500000000 ] - [ -0.0001268700000000, -0.0003687700000000, -0.0001717000000000 ] - [ -0.0003327300000000, -0.0000847200000000, 0.0005795200000000 ] - [ 0.0000951100000000, -0.0005596100000000, -0.0009048200000000 ] - [ -0.0007309900000000, -0.0005036400000000, -0.0003561800000000 ] - [ 0.0007261700000000, 0.0005334900000000, -0.0003626800000000 ] - [ 0.0008927200000000, 0.0005521000000000, -0.0003165000000000 ] - [ -0.0004892200000000, -0.0001553500000000, -0.0007708000000000 ] - [ -0.0005225900000000, -0.0001325100000000, -0.0005112800000000 ] - [ -0.0008190000000000, -0.0009025400000000, 0.0011341500000000 ] - [ -0.0003217500000000, -0.0001729100000000, 0.0001432400000000 ] - [ 0.0002992000000000, 0.0001569400000000, 0.0002383800000000 ] - [ -0.0000103800000000, 0.0001942400000000, 0.0005624800000000 ] - [ -0.0002976200000000, 0.0000260400000000, -0.0004861700000000 ] - [ 0.0002645300000000, 0.0000747500000000, -0.0006117100000000 ] - [ 0.0008819900000000, -0.0004149100000000, -0.0005031000000000 ] - [ 0.0008196500000000, -0.0003313100000000, -0.0003439400000000 ] - [ -0.0002172100000000, 0.0003514300000000, -0.0002608400000000 ] - [ -0.0013019600000000, -0.0004348800000000, 0.0030561300000000 ] - [ 0.0007667800000000, 0.0015490700000000, -0.0000447000000000 ] - [ 0.0008637700000000, 0.0009445400000000, -0.0008686300000000 ] - [ -0.0002275300000000, -0.0004886400000000, -0.0006032900000000 ] - [ -0.0002246900000000, -0.0003546900000000, -0.0006425300000000 ] - [ 0.0021331000000000, 0.0009883200000000, -0.0007813000000000 ] - [ 0.0008986800000000, 0.0014568700000000, 0.0003391600000000 ] - [ -0.0002227000000000, -0.0022794900000000, -0.0008013800000000 ] - [ -0.0005593700000000, -0.0023463600000000, -0.0010256700000000 ] - [ -0.0304953400000000, 0.0006309800000000, -0.0149482700000000 ] - [ 0.0006629400000000, -0.0003750800000000, -0.0000783800000000 ] - [ -0.0042867400000000, 0.0004758600000000, 0.0010597500000000 ] - [ -0.0004045500000000, 0.0019405300000000, -0.0034101200000000 ] - [ -0.0020907700000000, 0.0010982500000000, -0.0010698500000000 ] - [ -0.0004181800000000, 0.0003933900000000, -0.0005831100000000 ] - [ -0.0017001400000000, -0.0008946400000000, 0.0007439800000000 ] - [ -0.0005558400000000, 0.0000298300000000, -0.0002362300000000 ] - [ 0.0002732700000000, 0.0016781900000000, 0.0006881600000000 ] - [ 0.0004961200000000, 0.0019164400000000, 0.0003623900000000 ] - [ -0.0019330000000000, 0.0020055000000000, 0.0003052100000000 ] - [ -0.0008734700000000, 0.0000260300000000, 0.0000310400000000 ] - [ 0.0056343700000000, -0.0038400400000000, 0.0075486800000000 ] - [ -0.0002278900000000, 0.0000982900000000, -0.0001092600000000 ] - [ 0.0015321000000000, 0.0005733400000000, 0.0000226900000000 ] - [ 0.0005234000000000, 0.0000644100000000, 0.0001452900000000 ] - [ 0.0024520600000000, 0.0022916100000000, 0.0001674200000000 ] - [ 0.0004431700000000, 0.0008521000000000, 0.0001596600000000 ] - [ 0.0004979700000000, 0.0016979400000000, -0.0007635100000000 ] - [ 0.0010587100000000, 0.0018211200000000, 0.0004507200000000 ] - [ 0.0014165800000000, -0.0002948000000000, 0.0007359600000000 ] - [ 0.0003380400000000, -0.0002107300000000, 0.0004586300000000 ] - [ 0.0013452700000000, -0.0007341600000000, 0.0005212000000000 ] - [ 0.0007615700000000, -0.0008541200000000, -0.0000641100000000 ] - [ 0.0000036000000000, 0.0009026900000000, 0.0003070900000000 ] - [ 0.0002100100000000, 0.0008882500000000, 0.0003306600000000 ] - [ 0.0134341000000000, 0.0182075700000000, -0.0004705900000000 ] - [ -0.0005162600000000, 0.0001639100000000, 0.0000029700000000 ] - [ 0.0020061100000000, -0.0007588400000000, -0.0002497400000000 ] - [ 0.0003319900000000, 0.0000719500000000, -0.0000073800000000 ] - [ 0.0008055400000000, 0.0009963400000000, 0.0012609000000000 ] - [ 0.0016902400000000, 0.0010835900000000, -0.0023781900000000 ] - [ 0.0010497900000000, -0.0007761300000000, -0.0000629600000000 ] - [ 0.0000501400000000, -0.0001675100000000, 0.0000351500000000 ] - [ -0.0011736300000000, -0.0008896500000000, 0.0007699200000000 ] - [ -0.0006564300000000, -0.0006148600000000, 0.0000374700000000 ] - [ -0.0015167600000000, 0.0000019600000000, -0.0008903300000000 ] - [ -0.0019633400000000, -0.0004057600000000, -0.0001520800000000 ] - [ 0.0019695100000000, 0.0010901800000000, -0.0008008500000000 ] - [ 0.0009186600000000, -0.0000564900000000, 0.0026807100000000 ] - [ -0.0003736800000000, 0.0044673000000000, 0.0004722900000000 ] - [ 0.0006066100000000, -0.0005864400000000, 0.0003119600000000 ] - [ 0.0009913100000000, 0.0003502700000000, 0.0004982800000000 ] - [ 0.0009616600000000, 0.0004227700000000, 0.0001123400000000 ] - [ 0.0019571000000000, -0.0013678000000000, -0.0064240700000000 ] - [ -0.0001438000000000, -0.0008022300000000, 0.0013665000000000 ] - [ 0.0121311800000000, 0.0026806400000000, 0.0009787600000000 ] - [ 0.0001126700000000, -0.0001495400000000, -0.0000339300000000 ] - [ 0.0016317400000000, -0.0011535200000000, -0.0008521300000000 ] - [ 0.0006849600000000, -0.0015512600000000, 0.0009071600000000 ] - [ -0.1382444900000000, -0.1152360100000000, 0.0386693200000000 ] - [ 0.0000244000000000, -0.0007153600000000, 0.0004520800000000 ] - [ 0.0009551700000000, 0.0001863500000000, -0.0005869600000000 ] - [ 0.0000088500000000, -0.0002172500000000, -0.0002935000000000 ] - [ -0.0001764800000000, 0.0007361200000000, 0.0004534400000000 ] - [ 0.0001905300000000, 0.0014582700000000, 0.0005896300000000 ] - [ -0.0006173100000000, -0.0005112300000000, 0.0004570100000000 ] - [ -0.0011758200000000, -0.0018138700000000, -0.0001094900000000 ] - [ -0.0002796300000000, -0.0002365400000000, 0.0008980800000000 ] - [ -0.0002879300000000, 0.0000608400000000, -0.0002387100000000 ] - [ -0.0007428000000000, 0.0005106700000000, 0.0003033300000000 ] - [ -0.0007635400000000, 0.0005698100000000, 0.0003200500000000 ] - [ -0.0016178300000000, -0.0016193900000000, 0.0005409700000000 ] - [ -0.0011018900000000, -0.0012009500000000, 0.0000512300000000 ] - [ -0.0004097900000000, -0.0015923600000000, 0.0002956100000000 ] - [ -0.0009273800000000, -0.0004700400000000, 0.0002209200000000 ] - [ 0.0009250400000000, 0.0010225500000000, -0.0003968700000000 ] - [ 0.0003674100000000, -0.0000300400000000, -0.0000229600000000 ]- atom: 17 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0006749900000000, 0.0009527800000000, 0.0002703500000000 ] - [ 0.0004718100000000, 0.0004361800000000, 0.0002117000000000 ] - [ -0.0022869900000000, 0.0010062300000000, -0.0000353900000000 ] - [ -0.0005805700000000, 0.0001061800000000, 0.0003260200000000 ] - [ -0.0012343900000000, -0.0021491600000000, 0.0007390100000000 ] - [ 0.0001118000000000, -0.0006432100000000, 0.0001698000000000 ] - [ -0.0004225100000000, -0.0001884300000000, 0.0002662000000000 ] - [ -0.0004225800000000, -0.0000743900000000, 0.0001434400000000 ] - [ 0.0000471600000000, 0.0006052600000000, 0.0001928100000000 ] - [ -0.0000335900000000, 0.0005797300000000, 0.0002536400000000 ] - [ 0.0004461400000000, -0.0009463600000000, 0.0003492100000000 ] - [ 0.0007239700000000, -0.0014075500000000, -0.0003793900000000 ] - [ 0.0001675700000000, 0.0003467100000000, -0.0006779600000000 ] - [ 0.0036192900000000, 0.0056930600000000, 0.0033951400000000 ] - [ 0.0009034500000000, -0.0007651900000000, 0.0004459000000000 ] - [ 0.0001921800000000, -0.0003438800000000, -0.0005609500000000 ] - [ -0.0213509900000000, -0.0673454900000000, 0.0121582800000000 ] - [ 0.0002006700000000, 0.0000242300000000, 0.0003537700000000 ] - [ -0.0008753200000000, 0.0003471200000000, -0.0002236200000000 ] - [ -0.0011176100000000, 0.0009101100000000, -0.0007733500000000 ] - [ 0.0001411400000000, -0.0000460300000000, -0.0006367300000000 ] - [ 0.0001181900000000, 0.0001344200000000, -0.0005853800000000 ] - [ -0.0003064000000000, 0.0004008000000000, 0.0006030700000000 ] - [ -0.0000351600000000, -0.0001644400000000, 0.0003896200000000 ] - [ 0.0000223300000000, 0.0005687400000000, 0.0004087000000000 ] - [ -0.0000104200000000, 0.0007843400000000, 0.0002219200000000 ] - [ 0.0001437200000000, 0.0002677700000000, 0.0004750900000000 ] - [ -0.0002511200000000, 0.0001854400000000, 0.0003556100000000 ] - [ 0.0004695400000000, -0.0002590500000000, 0.0003136300000000 ] - [ 0.0004090100000000, -0.0002619100000000, 0.0002884500000000 ] - [ 0.0009207600000000, 0.0004867800000000, -0.0032086800000000 ] - [ 0.0000705400000000, 0.0002859400000000, 0.0003568100000000 ] - [ 0.0003576200000000, -0.0000059500000000, -0.0000121100000000 ] - [ 0.0003125700000000, -0.0001534900000000, 0.0006722300000000 ] - [ -0.0002045600000000, 0.0010138500000000, -0.0002571400000000 ] - [ -0.0001364600000000, 0.0008722300000000, -0.0003672500000000 ] - [ 0.0002044300000000, 0.0016993300000000, -0.0008505500000000 ] - [ -0.0001650300000000, 0.0002641400000000, -0.0005903500000000 ] - [ -0.0005177900000000, -0.0003879800000000, 0.0002905600000000 ] - [ -0.0007555300000000, -0.0005252100000000, 0.0002822000000000 ] - [ 0.0000932100000000, -0.0007494700000000, -0.0003020700000000 ] - [ 0.0000574900000000, -0.0006038700000000, -0.0005126400000000 ] - [ -0.0000534800000000, -0.0003314700000000, 0.0003273200000000 ] - [ -0.0000869000000000, -0.0004241700000000, 0.0001965100000000 ] - [ -0.0007330700000000, 0.0003145500000000, 0.0000288000000000 ] - [ -0.0006201400000000, -0.0004057100000000, -0.0003378900000000 ] - [ 0.0006589300000000, 0.0005450300000000, -0.0003472500000000 ] - [ 0.0005985500000000, 0.0006960300000000, -0.0004651000000000 ] - [ -0.0002641500000000, 0.0000782100000000, -0.0005914200000000 ] - [ -0.0003121400000000, 0.0000444100000000, -0.0006730900000000 ] - [ -0.0002755100000000, 0.0001584400000000, -0.0000293300000000 ] - [ -0.0002926000000000, -0.0001183500000000, 0.0003216700000000 ] - [ 0.0003125800000000, 0.0001114600000000, 0.0003311100000000 ] - [ 0.0003334700000000, 0.0000597400000000, 0.0001654500000000 ] - [ -0.0003701100000000, 0.0002039100000000, -0.0005277500000000 ] - [ 0.0003106700000000, 0.0000579700000000, -0.0006194800000000 ] - [ 0.0007220500000000, -0.0002056100000000, -0.0003560100000000 ] - [ 0.0007157700000000, -0.0002992300000000, -0.0003670800000000 ] - [ -0.0002583600000000, 0.0001813700000000, 0.0004166900000000 ] - [ 0.0001018600000000, 0.0004079000000000, -0.0006032200000000 ] - [ -0.0007213600000000, 0.0000465300000000, -0.0000255700000000 ] - [ -0.0000968300000000, 0.0001318600000000, -0.0007678500000000 ] - [ -0.0001559800000000, -0.0002377700000000, -0.0006464700000000 ] - [ -0.0001806000000000, -0.0003158700000000, -0.0006252900000000 ] - [ -0.0003324800000000, 0.0002756500000000, -0.0007203100000000 ] - [ -0.0001936800000000, 0.0023075300000000, 0.0013999000000000 ] - [ 0.0004849700000000, 0.0005636700000000, -0.0003242900000000 ] - [ 0.0006407900000000, 0.0004481700000000, -0.0002259100000000 ] - [ 0.0053132600000000, -0.0089679300000000, 0.0102327000000000 ] - [ -0.0000146500000000, -0.0004304500000000, -0.0004393800000000 ] - [ 0.0014374100000000, -0.0014005000000000, -0.0006006700000000 ] - [ -0.0005064500000000, -0.0013563000000000, -0.0002177200000000 ] - [ 0.0005968300000000, 0.0000646700000000, -0.0003833800000000 ] - [ 0.0002994100000000, 0.0001030800000000, -0.0005195300000000 ] - [ -0.0000855800000000, 0.0003313900000000, -0.0006480100000000 ] - [ -0.0002007500000000, 0.0002507100000000, -0.0005455900000000 ] - [ -0.0004304900000000, -0.0001924400000000, -0.0001109400000000 ] - [ -0.0004714400000000, -0.0002355600000000, 0.0000038100000000 ] - [ -0.0006779700000000, -0.0011954900000000, 0.0002427300000000 ] - [ -0.0006629200000000, -0.0003605400000000, -0.0000966400000000 ] - [ -0.0004156600000000, 0.0048138900000000, -0.0023213300000000 ] - [ -0.0000932700000000, 0.0004759600000000, 0.0003647400000000 ] - [ -0.0000455100000000, -0.0002320600000000, 0.0002790400000000 ] - [ 0.0002061300000000, -0.0001160100000000, 0.0004221300000000 ] - [ -0.0003642200000000, -0.0002976100000000, 0.0003271500000000 ] - [ 0.0000379100000000, 0.0006292500000000, 0.0001660800000000 ] - [ 0.0001524900000000, -0.0001999800000000, -0.0000749300000000 ] - [ 0.0001028700000000, -0.0001083800000000, -0.0004549000000000 ] - [ -0.0005414200000000, -0.0001029000000000, 0.0003793000000000 ] - [ -0.0002055000000000, -0.0001531000000000, 0.0003859700000000 ] - [ -0.0003195600000000, -0.0006415900000000, 0.0000690400000000 ] - [ -0.0002160200000000, -0.0005794900000000, 0.0002923300000000 ] - [ 0.0004206200000000, 0.0005807100000000, 0.0004211100000000 ] - [ 0.0003014200000000, 0.0008432800000000, 0.0003199800000000 ] - [ -0.0140029100000000, 0.0108443100000000, -0.0033665100000000 ] - [ 0.0001472400000000, 0.0004428000000000, 0.0000667600000000 ] - [ -0.0003525900000000, 0.0006431400000000, -0.0002255400000000 ] - [ -0.0001131100000000, 0.0004234800000000, -0.0002618100000000 ] - [ 0.0005799300000000, 0.0001416400000000, -0.0000648700000000 ] - [ 0.0003188900000000, 0.0000061000000000, 0.0008799700000000 ] - [ -0.0006201300000000, 0.0000304400000000, 0.0001265000000000 ] - [ -0.0003891100000000, -0.0000182300000000, 0.0001374300000000 ] - [ 0.0001328300000000, -0.0003919400000000, 0.0002488100000000 ] - [ 0.0009918100000000, -0.0009226800000000, -0.0008595600000000 ] - [ -0.0001617800000000, 0.0000094800000000, 0.0000471100000000 ] - [ -0.0007883700000000, -0.0007988500000000, -0.0009662800000000 ] - [ -0.0004521900000000, 0.0002263900000000, 0.0005114200000000 ] - [ -0.0001617100000000, 0.0007397600000000, -0.0006580100000000 ] - [ 0.0004441500000000, -0.0015259700000000, 0.0004448400000000 ] - [ 0.0006272300000000, -0.0007212100000000, 0.0003024900000000 ] - [ 0.0008476000000000, 0.0000321600000000, 0.0003053500000000 ] - [ 0.0009242400000000, 0.0000922000000000, 0.0004140400000000 ] - [ -0.0007165600000000, 0.0004356500000000, 0.0019170400000000 ] - [ -0.0000179200000000, 0.0002104800000000, -0.0005689600000000 ] - [ -0.0045162900000000, -0.0012352200000000, -0.0029922000000000 ] - [ 0.0003941900000000, -0.0000046800000000, -0.0003359600000000 ] - [ 0.0002741800000000, 0.0010828000000000, -0.0001160500000000 ] - [ 0.0002658500000000, 0.0009340500000000, -0.0001105900000000 ] - [ 0.0337869400000000, 0.0589162200000000, -0.0117689800000000 ] - [ 0.0005542200000000, -0.0003018800000000, 0.0001706400000000 ] - [ -0.0003445500000000, -0.0003137400000000, -0.0002276800000000 ] - [ -0.0002669100000000, -0.0003156900000000, -0.0002545000000000 ] - [ -0.0003472000000000, -0.0001829400000000, 0.0003148900000000 ] - [ -0.0005332100000000, -0.0004219500000000, 0.0002482300000000 ] - [ 0.0001878900000000, -0.0001753100000000, 0.0004511000000000 ] - [ 0.0006670000000000, -0.0018780800000000, -0.0020107900000000 ] - [ -0.0004238600000000, 0.0006984100000000, 0.0000715000000000 ] - [ -0.0002632900000000, 0.0007940300000000, 0.0002234100000000 ] - [ -0.0005310200000000, 0.0003729100000000, 0.0002764900000000 ] - [ -0.0005444100000000, 0.0002840600000000, 0.0003968900000000 ] - [ 0.0003093000000000, -0.0013308400000000, -0.0008106400000000 ] - [ -0.0001516400000000, -0.0009893300000000, 0.0007405400000000 ] - [ 0.0004984700000000, -0.0010632100000000, 0.0003491400000000 ] - [ -0.0007989700000000, -0.0002371300000000, 0.0002911500000000 ] - [ 0.0006179600000000, -0.0008742900000000, 0.0001552900000000 ] - [ 0.0002060800000000, -0.0004245800000000, 0.0001210700000000 ]- atom: 17 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0001336200000000, -0.0002686900000000, 0.0001634100000000 ] - [ 0.0003335100000000, 0.0002502800000000, 0.0002223300000000 ] - [ 0.0012714400000000, -0.0006459900000000, 0.0004637800000000 ] - [ -0.0004093900000000, 0.0002391800000000, 0.0001067100000000 ] - [ 0.0014401500000000, 0.0010863300000000, -0.0002944700000000 ] - [ 0.0000784900000000, -0.0004305200000000, 0.0002763600000000 ] - [ -0.0003837600000000, -0.0004978600000000, 0.0001658300000000 ] - [ -0.0003829900000000, -0.0006113400000000, 0.0002912500000000 ] - [ -0.0002409600000000, 0.0004698500000000, 0.0002533000000000 ] - [ -0.0001593800000000, 0.0004951100000000, 0.0001911500000000 ] - [ 0.0005522700000000, 0.0006029800000000, 0.0000906700000000 ] - [ 0.0002763800000000, 0.0010616900000000, 0.0007982500000000 ] - [ -0.0001584100000000, -0.0003557400000000, 0.0000489600000000 ] - [ -0.0035376500000000, -0.0057205100000000, -0.0040468700000000 ] - [ -0.0009085900000000, 0.0007691300000000, -0.0010850200000000 ] - [ -0.0001935400000000, 0.0003451900000000, -0.0000735400000000 ] - [ 0.0218048400000000, 0.0696320800000000, -0.0117372700000000 ] - [ 0.0004555700000000, 0.0003750000000000, 0.0003386200000000 ] - [ -0.0006560900000000, 0.0003498800000000, -0.0004970900000000 ] - [ -0.0004124000000000, -0.0002184300000000, 0.0000586000000000 ] - [ 0.0002648300000000, -0.0006044700000000, -0.0006209200000000 ] - [ 0.0002879000000000, -0.0007825300000000, -0.0006715800000000 ] - [ 0.0003208600000000, -0.0011636200000000, 0.0000925800000000 ] - [ 0.0000531400000000, -0.0006020600000000, 0.0003028200000000 ] - [ -0.0000396600000000, 0.0001958700000000, 0.0002838800000000 ] - [ -0.0000068800000000, -0.0000182000000000, 0.0004703400000000 ] - [ -0.0008270700000000, 0.0001040300000000, 0.0002138000000000 ] - [ -0.0004225300000000, 0.0001824800000000, 0.0003360400000000 ] - [ 0.0002010800000000, -0.0001081300000000, 0.0003781100000000 ] - [ 0.0002609800000000, -0.0001048500000000, 0.0004041900000000 ] - [ -0.0008089200000000, 0.0001486300000000, 0.0037828600000000 ] - [ 0.0000396600000000, 0.0003754500000000, 0.0002058400000000 ] - [ 0.0001656900000000, -0.0004172600000000, 0.0005708900000000 ] - [ 0.0002076300000000, -0.0002722000000000, -0.0001041000000000 ] - [ 0.0000413900000000, 0.0006590400000000, -0.0004648500000000 ] - [ -0.0000270100000000, 0.0008022200000000, -0.0003525500000000 ] - [ -0.0006310500000000, -0.0010343400000000, -0.0003995800000000 ] - [ -0.0002413900000000, 0.0003861100000000, -0.0006670500000000 ] - [ -0.0001383300000000, -0.0000113800000000, 0.0004009000000000 ] - [ 0.0000978400000000, 0.0001249900000000, 0.0004100700000000 ] - [ 0.0000695700000000, -0.0009248800000000, -0.0004182000000000 ] - [ 0.0001047900000000, -0.0010716300000000, -0.0002067900000000 ] - [ -0.0000558000000000, -0.0003304100000000, 0.0002385200000000 ] - [ -0.0000232800000000, -0.0002377700000000, 0.0003692500000000 ] - [ -0.0006369500000000, -0.0012993600000000, -0.0007526700000000 ] - [ -0.0007478200000000, -0.0005739300000000, -0.0003825600000000 ] - [ 0.0007086900000000, 0.0004340500000000, -0.0003735200000000 ] - [ 0.0007686200000000, 0.0002821900000000, -0.0002546700000000 ] - [ -0.0005041200000000, -0.0001066000000000, -0.0006659700000000 ] - [ -0.0004554100000000, -0.0000722300000000, -0.0005846600000000 ] - [ -0.0003550900000000, -0.0004054500000000, 0.0006056200000000 ] - [ -0.0003338400000000, -0.0001201800000000, 0.0002454400000000 ] - [ 0.0003138700000000, 0.0001268300000000, 0.0002352500000000 ] - [ 0.0002933800000000, 0.0001790700000000, 0.0004027300000000 ] - [ 0.0011450500000000, -0.0001770600000000, -0.0007317200000000 ] - [ 0.0004558400000000, -0.0000297600000000, -0.0006381100000000 ] - [ 0.0008084900000000, -0.0004916100000000, -0.0003643700000000 ] - [ 0.0008153400000000, -0.0003974700000000, -0.0003527000000000 ] - [ -0.0002612600000000, 0.0002446600000000, 0.0001483000000000 ] - [ -0.0006202600000000, 0.0000173100000000, 0.0011723000000000 ] - [ 0.0010840500000000, 0.0006350500000000, -0.0012364500000000 ] - [ 0.0004575300000000, 0.0005477700000000, -0.0004883400000000 ] - [ -0.0002070400000000, -0.0004415100000000, -0.0006108200000000 ] - [ -0.0001802100000000, -0.0003622600000000, -0.0006317500000000 ] - [ 0.0003723200000000, 0.0003093100000000, -0.0003002800000000 ] - [ 0.0002322200000000, -0.0016934400000000, -0.0023947200000000 ] - [ 0.0000170200000000, -0.0008928700000000, -0.0006819700000000 ] - [ -0.0001412900000000, -0.0007702200000000, -0.0007830500000000 ] - [ -0.0052328800000000, 0.0083718200000000, -0.0112791900000000 ] - [ -0.0000176300000000, -0.0001575500000000, -0.0005728300000000 ] - [ -0.0019873900000000, 0.0011511500000000, -0.0004125900000000 ] - [ -0.0000288300000000, 0.0010966400000000, -0.0007978600000000 ] - [ -0.0000850600000000, 0.0002108100000000, -0.0006281100000000 ] - [ 0.0002170700000000, 0.0001687700000000, -0.0004919700000000 ] - [ -0.0004098700000000, -0.0000059000000000, -0.0003647000000000 ] - [ -0.0002996700000000, 0.0000699300000000, -0.0004620800000000 ] - [ 0.0000604900000000, 0.0007290700000000, 0.0003433500000000 ] - [ 0.0001010500000000, 0.0007688900000000, 0.0002289700000000 ] - [ -0.0006389900000000, 0.0007790000000000, 0.0000804500000000 ] - [ -0.0006502200000000, -0.0000408600000000, 0.0004196500000000 ] - [ 0.0002365500000000, -0.0042944100000000, 0.0030844600000000 ] - [ -0.0000772600000000, 0.0000135400000000, 0.0004051300000000 ] - [ 0.0005555600000000, 0.0001325800000000, 0.0004906000000000 ] - [ 0.0003059000000000, 0.0000165200000000, 0.0003433200000000 ] - [ 0.0006859300000000, 0.0016660900000000, 0.0000022200000000 ] - [ 0.0002632900000000, 0.0007151700000000, 0.0001582700000000 ] - [ 0.0003433700000000, 0.0007357500000000, -0.0004160900000000 ] - [ 0.0003920500000000, 0.0006387600000000, -0.0000318300000000 ] - [ 0.0002151000000000, -0.0002885300000000, 0.0003890400000000 ] - [ -0.0001228700000000, -0.0002363200000000, 0.0003809300000000 ] - [ 0.0000207900000000, -0.0007033000000000, 0.0002570200000000 ] - [ -0.0000828000000000, -0.0007658000000000, 0.0000311900000000 ] - [ 0.0000679000000000, 0.0012698300000000, 0.0002483200000000 ] - [ 0.0001843700000000, 0.0010060700000000, 0.0003490300000000 ] - [ 0.0143847300000000, -0.0104396300000000, 0.0036712500000000 ] - [ 0.0001357700000000, 0.0001472200000000, 0.0001657000000000 ] - [ 0.0001504200000000, 0.0000494400000000, -0.0002587300000000 ] - [ -0.0000937100000000, 0.0002704000000000, -0.0002229400000000 ] - [ 0.0007309200000000, 0.0002612500000000, 0.0003920300000000 ] - [ 0.0009902500000000, 0.0003960600000000, -0.0005556100000000 ] - [ -0.0000152700000000, -0.0000840200000000, 0.0001049800000000 ] - [ -0.0002524600000000, -0.0000331700000000, 0.0000932600000000 ] - [ -0.0004197700000000, -0.0001974700000000, -0.0000092000000000 ] - [ -0.0012705000000000, 0.0003267100000000, 0.0010864200000000 ] - [ -0.0005409700000000, 0.0001584400000000, -0.0005293000000000 ] - [ 0.0000738000000000, 0.0009579800000000, 0.0004770500000000 ] - [ 0.0007917900000000, 0.0001626300000000, 0.0002520900000000 ] - [ 0.0004934200000000, -0.0003539700000000, 0.0014229000000000 ] - [ 0.0009202800000000, 0.0001685900000000, 0.0002199300000000 ] - [ 0.0007294300000000, -0.0006245800000000, 0.0003663900000000 ] - [ 0.0009909800000000, 0.0004538500000000, 0.0003554800000000 ] - [ 0.0009136000000000, 0.0003928400000000, 0.0002464900000000 ] - [ 0.0009402900000000, -0.0011410400000000, -0.0024407700000000 ] - [ 0.0002338900000000, -0.0009045000000000, 0.0000937500000000 ] - [ 0.0051987300000000, 0.0010778900000000, 0.0025116400000000 ] - [ 0.0003037600000000, -0.0001632200000000, -0.0001502000000000 ] - [ 0.0003751500000000, -0.0010419800000000, 0.0003582700000000 ] - [ 0.0003816300000000, -0.0008909800000000, 0.0003434400000000 ] - [ -0.0328222300000000, -0.0615636000000000, 0.0123705900000000 ] - [ 0.0004503600000000, -0.0006291400000000, 0.0001566100000000 ] - [ -0.0001546400000000, -0.0002200100000000, -0.0002589600000000 ] - [ -0.0002293800000000, -0.0002152100000000, -0.0002323600000000 ] - [ -0.0001671400000000, 0.0002849400000000, 0.0004495800000000 ] - [ 0.0000199300000000, 0.0005231600000000, 0.0005191500000000 ] - [ -0.0000210700000000, -0.0003092300000000, 0.0003211800000000 ] - [ -0.0005031700000000, 0.0013755200000000, 0.0027550400000000 ] - [ -0.0005809600000000, 0.0002333300000000, 0.0002544600000000 ] - [ -0.0007404300000000, 0.0001387300000000, 0.0001015700000000 ] - [ -0.0008252000000000, 0.0009729200000000, 0.0003933000000000 ] - [ -0.0008117100000000, 0.0010596400000000, 0.0002700300000000 ] - [ -0.0007934700000000, -0.0005209500000000, 0.0014853200000000 ] - [ -0.0003322300000000, -0.0008610400000000, -0.0000741600000000 ] - [ -0.0023507500000000, 0.0005878600000000, 0.0003115700000000 ] - [ -0.0010374600000000, -0.0002489800000000, 0.0003700900000000 ] - [ -0.0002529500000000, 0.0003382200000000, 0.0000770900000000 ] - [ 0.0001647000000000, -0.0001076100000000, 0.0001101000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002001000000000, -0.0002957600000000, 0.0000809800000000 ] - [ 0.0003860200000000, 0.0002560100000000, 0.0002952000000000 ] - [ -0.0001456400000000, 0.0003668700000000, -0.0002805400000000 ] - [ -0.0004607100000000, 0.0002072500000000, 0.0004093300000000 ] - [ -0.0007426300000000, 0.0002124500000000, -0.0003862900000000 ] - [ 0.0001044700000000, -0.0004876200000000, 0.0004783800000000 ] - [ -0.0004376300000000, -0.0004363400000000, 0.0002240100000000 ] - [ -0.0003677200000000, -0.0003925100000000, 0.0001977200000000 ] - [ -0.0002755000000000, 0.0005021100000000, 0.0002679300000000 ] - [ -0.0002085100000000, 0.0005637400000000, 0.0001738500000000 ] - [ 0.0015467300000000, 0.0002332000000000, 0.0015500300000000 ] - [ -0.0008898300000000, -0.0006188600000000, 0.0031187800000000 ] - [ 0.0001351600000000, -0.0004439800000000, 0.0005645300000000 ] - [ 0.0028889300000000, 0.0004404100000000, -0.0056082000000000 ] - [ -0.0010509500000000, 0.0004539300000000, -0.0013227300000000 ] - [ -0.0003511400000000, 0.0000797000000000, 0.0001544300000000 ] - [ 0.0320359900000000, 0.0324438600000000, -0.0762243500000000 ] - [ 0.0003577600000000, 0.0002253700000000, 0.0004309100000000 ] - [ -0.0008129700000000, 0.0004104800000000, -0.0002170300000000 ] - [ -0.0004769600000000, 0.0000146100000000, -0.0003211800000000 ] - [ 0.0002470700000000, -0.0003694000000000, -0.0006384800000000 ] - [ 0.0001987700000000, -0.0002085900000000, -0.0006073100000000 ] - [ 0.0001404100000000, -0.0008959800000000, 0.0001319700000000 ] - [ 0.0000187500000000, -0.0004168200000000, 0.0003621600000000 ] - [ 0.0000488400000000, 0.0001992500000000, 0.0003193400000000 ] - [ 0.0000234400000000, -0.0000654800000000, 0.0004747500000000 ] - [ -0.0010434100000000, 0.0002961300000000, 0.0001314500000000 ] - [ -0.0004251100000000, 0.0001851900000000, 0.0003616200000000 ] - [ -0.0002370200000000, 0.0000037500000000, 0.0004746000000000 ] - [ 0.0004522900000000, -0.0001784800000000, 0.0003179500000000 ] - [ -0.0237987900000000, -0.0232945100000000, 0.0078649800000000 ] - [ -0.0000263000000000, 0.0003486000000000, 0.0008139500000000 ] - [ 0.0003298400000000, -0.0004729500000000, 0.0004745900000000 ] - [ 0.0002620700000000, -0.0001525400000000, 0.0004709200000000 ] - [ -0.0001249000000000, 0.0008902300000000, -0.0004725200000000 ] - [ -0.0000417800000000, 0.0008098200000000, -0.0002820600000000 ] - [ 0.0003195700000000, -0.0018618200000000, -0.0004677000000000 ] - [ -0.0001771800000000, 0.0002761000000000, -0.0005354800000000 ] - [ -0.0001658400000000, -0.0000316500000000, 0.0003779200000000 ] - [ -0.0004289900000000, -0.0001939600000000, 0.0003776800000000 ] - [ 0.0001066000000000, -0.0007968500000000, -0.0003065400000000 ] - [ 0.0000746600000000, -0.0008886100000000, -0.0002590700000000 ] - [ -0.0000531600000000, -0.0003405600000000, 0.0003222100000000 ] - [ -0.0001783400000000, -0.0002473400000000, 0.0001770700000000 ] - [ -0.0005094600000000, -0.0001495700000000, -0.0006539200000000 ] - [ -0.0007900300000000, -0.0005501000000000, -0.0003111200000000 ] - [ 0.0006997500000000, 0.0005002900000000, -0.0003277400000000 ] - [ 0.0007136900000000, 0.0004723500000000, -0.0003670700000000 ] - [ -0.0003916100000000, -0.0000306200000000, -0.0006675800000000 ] - [ -0.0004735900000000, -0.0000598300000000, -0.0005921000000000 ] - [ -0.0004426800000000, -0.0004397500000000, 0.0007838800000000 ] - [ -0.0002789700000000, -0.0000798900000000, 0.0002613300000000 ] - [ 0.0002995200000000, 0.0001416400000000, 0.0003930800000000 ] - [ 0.0002480200000000, 0.0001262800000000, 0.0002367700000000 ] - [ 0.0005062500000000, -0.0000358500000000, -0.0005700300000000 ] - [ 0.0003345600000000, 0.0000463200000000, -0.0006095700000000 ] - [ 0.0007854300000000, -0.0003412000000000, -0.0004531800000000 ] - [ 0.0007651900000000, -0.0003686900000000, -0.0003108700000000 ] - [ -0.0002516700000000, 0.0002308300000000, 0.0003267100000000 ] - [ -0.0004904600000000, 0.0000219200000000, 0.0009679800000000 ] - [ -0.0002773600000000, 0.0008090900000000, -0.0002293400000000 ] - [ 0.0004403900000000, 0.0003765900000000, -0.0004848100000000 ] - [ -0.0002694800000000, -0.0004284500000000, -0.0006475000000000 ] - [ -0.0001770000000000, -0.0003347100000000, -0.0006110000000000 ] - [ 0.0004824100000000, 0.0002721400000000, -0.0004348600000000 ] - [ 0.0005147800000000, 0.0017473400000000, 0.0010394900000000 ] - [ 0.0002151800000000, -0.0007799100000000, -0.0004648200000000 ] - [ -0.0001167300000000, -0.0008222200000000, -0.0008191600000000 ] - [ -0.0057756600000000, 0.0084500300000000, -0.0101184200000000 ] - [ 0.0002386900000000, -0.0005748200000000, -0.0000650600000000 ] - [ -0.0011651400000000, -0.0001092600000000, 0.0003750800000000 ] - [ 0.0025822300000000, 0.0001762800000000, -0.0015881100000000 ] - [ -0.0004306000000000, 0.0003368900000000, -0.0007452500000000 ] - [ 0.0001445700000000, 0.0003166200000000, -0.0003626200000000 ] - [ -0.0004808800000000, -0.0001407400000000, -0.0003558300000000 ] - [ -0.0003871800000000, 0.0001153300000000, -0.0003428400000000 ] - [ -0.0001074600000000, 0.0006211700000000, 0.0002383400000000 ] - [ 0.0000711400000000, 0.0007787800000000, 0.0002244200000000 ] - [ -0.0010724200000000, 0.0005871200000000, 0.0003869200000000 ] - [ -0.0007488600000000, -0.0001633500000000, -0.0000986900000000 ] - [ -0.0003173000000000, -0.0027926600000000, 0.0043374500000000 ] - [ -0.0000634800000000, 0.0003673400000000, -0.0000516400000000 ] - [ 0.0004974900000000, 0.0001304400000000, 0.0004443300000000 ] - [ 0.0003548300000000, -0.0000192100000000, 0.0002422900000000 ] - [ 0.0012054700000000, 0.0018332800000000, 0.0001646400000000 ] - [ 0.0002309300000000, 0.0006868000000000, 0.0000752900000000 ] - [ 0.0002860600000000, 0.0006924500000000, -0.0005238100000000 ] - [ 0.0006442300000000, 0.0006126900000000, 0.0001230900000000 ] - [ 0.0003399800000000, -0.0002086900000000, 0.0005400500000000 ] - [ -0.0001222600000000, -0.0002786800000000, 0.0002707700000000 ] - [ 0.0003401100000000, -0.0007407800000000, 0.0001375000000000 ] - [ -0.0001639500000000, -0.0006671500000000, 0.0001746000000000 ] - [ 0.0002540500000000, 0.0009849100000000, 0.0004155600000000 ] - [ 0.0002176600000000, 0.0009126600000000, 0.0002564800000000 ] - [ 0.0077722000000000, 0.0013715200000000, 0.0169738900000000 ] - [ -0.0000787600000000, 0.0003215700000000, -0.0001870400000000 ] - [ 0.0004417600000000, 0.0000245100000000, -0.0000469300000000 ] - [ -0.0000285400000000, 0.0002648400000000, -0.0003252800000000 ] - [ 0.0005771300000000, 0.0003399500000000, 0.0003109100000000 ] - [ 0.0009512300000000, 0.0005168900000000, -0.0004616000000000 ] - [ 0.0001609800000000, -0.0001988500000000, 0.0001904300000000 ] - [ -0.0002081100000000, -0.0001284600000000, -0.0000034500000000 ] - [ -0.0004153500000000, -0.0003481300000000, 0.0001611700000000 ] - [ 0.0000309900000000, -0.0006098100000000, -0.0004189000000000 ] - [ -0.0005769500000000, 0.0001319300000000, -0.0004545200000000 ] - [ -0.0015005000000000, -0.0005158700000000, -0.0003194300000000 ] - [ 0.0007305400000000, 0.0003690800000000, -0.0003090700000000 ] - [ -0.0000096900000000, -0.0005124700000000, 0.0022500000000000 ] - [ 0.0005130800000000, 0.0007618000000000, 0.0004065800000000 ] - [ 0.0006604600000000, -0.0006198200000000, 0.0001957100000000 ] - [ 0.0009242500000000, 0.0002076200000000, 0.0003775600000000 ] - [ 0.0009883500000000, 0.0003376400000000, 0.0002579500000000 ] - [ 0.0013389000000000, 0.0007012500000000, 0.0000979600000000 ] - [ -0.0018063900000000, -0.0011230500000000, -0.0008608500000000 ] - [ 0.0058708200000000, -0.0004622800000000, 0.0006310000000000 ] - [ 0.0003454500000000, 0.0000188300000000, -0.0003581400000000 ] - [ 0.0009499600000000, -0.0001231500000000, -0.0004120400000000 ] - [ -0.0001373000000000, -0.0002240300000000, 0.0003301800000000 ] - [ -0.0178822200000000, -0.0154678700000000, 0.0573926200000000 ] - [ 0.0004774200000000, -0.0005607000000000, -0.0003649600000000 ] - [ 0.0000309800000000, -0.0001285300000000, -0.0001499500000000 ] - [ -0.0001764300000000, -0.0002545200000000, -0.0003662600000000 ] - [ -0.0002925000000000, 0.0002559400000000, 0.0002958300000000 ] - [ -0.0000687300000000, 0.0005675700000000, 0.0005620200000000 ] - [ -0.0000899900000000, -0.0001730100000000, 0.0002234100000000 ] - [ -0.0001013400000000, -0.0021941900000000, -0.0003012500000000 ] - [ -0.0005556500000000, 0.0002717500000000, 0.0002164800000000 ] - [ -0.0003108600000000, 0.0004067600000000, 0.0001414400000000 ] - [ -0.0006473000000000, 0.0006509600000000, 0.0003695600000000 ] - [ -0.0007271700000000, 0.0006329300000000, 0.0002931800000000 ] - [ -0.0001556400000000, -0.0019280100000000, -0.0001886700000000 ] - [ -0.0003472600000000, -0.0006340000000000, -0.0000572200000000 ] - [ -0.0012404200000000, -0.0001558700000000, 0.0005691600000000 ] - [ -0.0008813200000000, -0.0003159200000000, 0.0001540700000000 ] - [ 0.0001507400000000, 0.0001552100000000, 0.0001010600000000 ] - [ 0.0002583300000000, -0.0001898600000000, 0.0000045600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006075800000000, 0.0009786100000000, 0.0003528400000000 ] - [ 0.0004193600000000, 0.0004304400000000, 0.0001385500000000 ] - [ -0.0008345000000000, -0.0000233900000000, 0.0007129500000000 ] - [ -0.0005301600000000, 0.0001396900000000, 0.0000225900000000 ] - [ 0.0009102800000000, -0.0012783500000000, 0.0008300000000000 ] - [ 0.0000880400000000, -0.0005878600000000, -0.0000322400000000 ] - [ -0.0003695200000000, -0.0002509000000000, 0.0002109500000000 ] - [ -0.0004396200000000, -0.0002941800000000, 0.0002341800000000 ] - [ 0.0000836100000000, 0.0005740300000000, 0.0001807200000000 ] - [ 0.0000175400000000, 0.0005125700000000, 0.0002700300000000 ] - [ -0.0005675300000000, -0.0005834800000000, -0.0011393300000000 ] - [ 0.0018545400000000, 0.0002608900000000, -0.0026541800000000 ] - [ -0.0001322400000000, 0.0004566300000000, -0.0011968900000000 ] - [ -0.0028907900000000, -0.0004581100000000, 0.0048706300000000 ] - [ 0.0010392000000000, -0.0004518400000000, 0.0006869400000000 ] - [ 0.0003477100000000, -0.0000778700000000, -0.0007908100000000 ] - [ -0.0309336100000000, -0.0315053400000000, 0.0757700400000000 ] - [ 0.0002964700000000, 0.0001722600000000, 0.0002612900000000 ] - [ -0.0007180700000000, 0.0002857800000000, -0.0005036000000000 ] - [ -0.0010548600000000, 0.0006823000000000, -0.0004019600000000 ] - [ 0.0001594500000000, -0.0002807600000000, -0.0006184400000000 ] - [ 0.0002073000000000, -0.0004413700000000, -0.0006501200000000 ] - [ -0.0001210500000000, 0.0001219000000000, 0.0005574800000000 ] - [ -0.0000010100000000, -0.0003499600000000, 0.0003307000000000 ] - [ -0.0000667100000000, 0.0005650600000000, 0.0003737500000000 ] - [ -0.0000408300000000, 0.0008309500000000, 0.0002175800000000 ] - [ 0.0003597300000000, 0.0000756500000000, 0.0005569600000000 ] - [ -0.0002479000000000, 0.0001833400000000, 0.0003301600000000 ] - [ 0.0009113200000000, -0.0003725900000000, 0.0002173900000000 ] - [ 0.0002238500000000, -0.0001909600000000, 0.0003723600000000 ] - [ 0.0242622400000000, 0.0243126800000000, -0.0076320200000000 ] - [ 0.0001341400000000, 0.0003132100000000, -0.0002411200000000 ] - [ 0.0001937100000000, 0.0000425000000000, 0.0001004800000000 ] - [ 0.0002574700000000, -0.0002728400000000, 0.0000948200000000 ] - [ -0.0000376100000000, 0.0007838700000000, -0.0002459900000000 ] - [ -0.0001212100000000, 0.0008638400000000, -0.0004377700000000 ] - [ -0.0007287000000000, 0.0025250000000000, -0.0007860200000000 ] - [ -0.0002293100000000, 0.0003729200000000, -0.0007219800000000 ] - [ -0.0004894200000000, -0.0003659000000000, 0.0003146500000000 ] - [ -0.0002270500000000, -0.0002045300000000, 0.0003144100000000 ] - [ 0.0000563300000000, -0.0008781900000000, -0.0004132100000000 ] - [ 0.0000884000000000, -0.0007860900000000, -0.0004619700000000 ] - [ -0.0000558300000000, -0.0003209100000000, 0.0002458900000000 ] - [ 0.0000686900000000, -0.0004138600000000, 0.0003883800000000 ] - [ -0.0008581300000000, -0.0008305400000000, -0.0000620500000000 ] - [ -0.0005789800000000, -0.0004295700000000, -0.0004088900000000 ] - [ 0.0006683800000000, 0.0004786200000000, -0.0003919000000000 ] - [ 0.0006542300000000, 0.0005073700000000, -0.0003539300000000 ] - [ -0.0003761700000000, 0.0000017800000000, -0.0005893500000000 ] - [ -0.0002938900000000, 0.0000318500000000, -0.0006660300000000 ] - [ -0.0001891200000000, 0.0001920800000000, -0.0002037300000000 ] - [ -0.0003470000000000, -0.0001573800000000, 0.0003047400000000 ] - [ 0.0003268100000000, 0.0000964400000000, 0.0001750800000000 ] - [ 0.0003778300000000, 0.0001115400000000, 0.0003287500000000 ] - [ 0.0002580600000000, 0.0000635900000000, -0.0006865600000000 ] - [ 0.0004329100000000, -0.0000188500000000, -0.0006480600000000 ] - [ 0.0007460000000000, -0.0003561800000000, -0.0002658100000000 ] - [ 0.0007665300000000, -0.0003283500000000, -0.0004088700000000 ] - [ -0.0002682400000000, 0.0001947100000000, 0.0002402100000000 ] - [ -0.0000272900000000, 0.0004035900000000, -0.0004001000000000 ] - [ 0.0006448200000000, -0.0001332600000000, -0.0010269200000000 ] - [ -0.0000791500000000, 0.0002993900000000, -0.0007714300000000 ] - [ -0.0000916200000000, -0.0002496100000000, -0.0006097700000000 ] - [ -0.0001831200000000, -0.0003429400000000, -0.0006459600000000 ] - [ -0.0004465200000000, 0.0003252700000000, -0.0005705200000000 ] - [ -0.0004783400000000, -0.0011532300000000, -0.0020402600000000 ] - [ 0.0002879900000000, 0.0004528600000000, -0.0005392900000000 ] - [ 0.0006157200000000, 0.0005010800000000, -0.0001903500000000 ] - [ 0.0057936200000000, -0.0089571700000000, 0.0091566800000000 ] - [ -0.0002754200000000, -0.0000148600000000, -0.0009470500000000 ] - [ 0.0006785300000000, -0.0001831400000000, -0.0013765300000000 ] - [ -0.0030627400000000, -0.0004559700000000, 0.0005645700000000 ] - [ 0.0009419400000000, -0.0000621400000000, -0.0002672400000000 ] - [ 0.0003739700000000, -0.0000439000000000, -0.0006477300000000 ] - [ -0.0000236900000000, 0.0004563600000000, -0.0006484200000000 ] - [ -0.0001140100000000, 0.0002032700000000, -0.0006645100000000 ] - [ -0.0002635900000000, -0.0000849900000000, -0.0000073700000000 ] - [ -0.0004416800000000, -0.0002438900000000, 0.0000095900000000 ] - [ -0.0002454100000000, -0.0009723200000000, -0.0000591700000000 ] - [ -0.0005626000000000, -0.0002379800000000, 0.0004229200000000 ] - [ 0.0001548600000000, 0.0032853600000000, -0.0035930800000000 ] - [ -0.0001041400000000, 0.0001230900000000, 0.0008194700000000 ] - [ 0.0000173200000000, -0.0002284800000000, 0.0003184400000000 ] - [ 0.0001592700000000, -0.0000804600000000, 0.0005225900000000 ] - [ -0.0008828800000000, -0.0004677800000000, 0.0001633300000000 ] - [ 0.0000706200000000, 0.0006554000000000, 0.0002488800000000 ] - [ 0.0002098300000000, -0.0001593300000000, 0.0000312000000000 ] - [ -0.0001464000000000, -0.0000835800000000, -0.0006037400000000 ] - [ -0.0006651400000000, -0.0001822000000000, 0.0002249000000000 ] - [ -0.0002094300000000, -0.0001123300000000, 0.0004947600000000 ] - [ -0.0006428500000000, -0.0006022600000000, 0.0001851300000000 ] - [ -0.0001393700000000, -0.0006753500000000, 0.0001511100000000 ] - [ 0.0002313400000000, 0.0008624000000000, 0.0002539300000000 ] - [ 0.0002675300000000, 0.0009346900000000, 0.0004119400000000 ] - [ -0.0074362800000000, -0.0008526700000000, -0.0165306100000000 ] - [ 0.0003656100000000, 0.0002704900000000, 0.0004215100000000 ] - [ -0.0006432400000000, 0.0006663800000000, -0.0004353800000000 ] - [ -0.0001786500000000, 0.0004293700000000, -0.0001592300000000 ] - [ 0.0007364900000000, 0.0000618300000000, 0.0000123800000000 ] - [ 0.0003603000000000, -0.0001153800000000, 0.0007853400000000 ] - [ -0.0007981000000000, 0.0001445200000000, 0.0000422200000000 ] - [ -0.0004354100000000, 0.0000763800000000, 0.0002345100000000 ] - [ 0.0001304600000000, -0.0002433400000000, 0.0000706300000000 ] - [ -0.0003158900000000, 0.0000198300000000, 0.0006512900000000 ] - [ -0.0001263900000000, 0.0000327500000000, -0.0000379700000000 ] - [ 0.0007950600000000, 0.0006817800000000, -0.0001638500000000 ] - [ -0.0004135800000000, 0.0000216300000000, 0.0010791900000000 ] - [ 0.0003289000000000, 0.0008982300000000, -0.0014711100000000 ] - [ 0.0008421100000000, -0.0021152400000000, 0.0002591500000000 ] - [ 0.0006946400000000, -0.0007238100000000, 0.0004728400000000 ] - [ 0.0009117700000000, 0.0002782000000000, 0.0002817200000000 ] - [ 0.0008471600000000, 0.0001465100000000, 0.0004033500000000 ] - [ -0.0011648600000000, -0.0014038400000000, -0.0005418400000000 ] - [ 0.0019856000000000, 0.0004185700000000, 0.0003681400000000 ] - [ -0.0051719100000000, 0.0002879300000000, -0.0011323800000000 ] - [ 0.0003552200000000, -0.0001859400000000, -0.0001270400000000 ] - [ -0.0003141600000000, 0.0001819800000000, 0.0006326000000000 ] - [ 0.0007752800000000, 0.0002800600000000, -0.0000969000000000 ] - [ 0.0180554100000000, 0.0136669200000000, -0.0558068000000000 ] - [ 0.0005283400000000, -0.0003719900000000, 0.0006852700000000 ] - [ -0.0005249900000000, -0.0003999600000000, -0.0003353100000000 ] - [ -0.0003209600000000, -0.0002747700000000, -0.0001197000000000 ] - [ -0.0002233700000000, -0.0001546900000000, 0.0004658100000000 ] - [ -0.0004446200000000, -0.0004691900000000, 0.0002063300000000 ] - [ 0.0002613800000000, -0.0003234800000000, 0.0005424700000000 ] - [ 0.0002671600000000, 0.0016936400000000, 0.0010786900000000 ] - [ -0.0004485100000000, 0.0006599900000000, 0.0001056200000000 ] - [ -0.0006930700000000, 0.0005251000000000, 0.0001836200000000 ] - [ -0.0007086000000000, 0.0006939000000000, 0.0002973000000000 ] - [ -0.0006275200000000, 0.0007118200000000, 0.0003755300000000 ] - [ -0.0003349500000000, 0.0000923200000000, 0.0008595000000000 ] - [ -0.0001375400000000, -0.0012085400000000, 0.0007236900000000 ] - [ -0.0005893900000000, -0.0003334800000000, 0.0000928300000000 ] - [ -0.0009546700000000, -0.0001673400000000, 0.0005071600000000 ] - [ 0.0002224800000000, -0.0006819700000000, 0.0001303400000000 ] - [ 0.0001126600000000, -0.0003420100000000, 0.0002264200000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005677500000000, 0.0003768000000000, 0.0001568600000000 ] - [ 0.0011204200000000, 0.0005114500000000, 0.0004516100000000 ] - [ -0.0004947800000000, 0.0000401000000000, 0.0002554500000000 ] - [ -0.0004766000000000, -0.0000786100000000, 0.0001797900000000 ] - [ -0.0000007400000000, -0.0005054700000000, 0.0003165400000000 ] - [ 0.0004289400000000, 0.0004441400000000, -0.0004154900000000 ] - [ 0.0005994000000000, -0.0006891000000000, 0.0004312100000000 ] - [ -0.0002021200000000, -0.0003747400000000, 0.0001327600000000 ] - [ -0.0000367600000000, 0.0008164200000000, 0.0002429500000000 ] - [ -0.0000806100000000, 0.0006221900000000, 0.0002420400000000 ] - [ 0.0009778000000000, -0.0010754900000000, -0.0000623500000000 ] - [ 0.0004071000000000, -0.0002422000000000, 0.0003185900000000 ] - [ 0.0001256800000000, 0.0001972400000000, -0.0004581500000000 ] - [ 0.0001081300000000, 0.0000594100000000, -0.0003483700000000 ] - [ 0.0008284700000000, 0.0000298000000000, -0.0001373400000000 ] - [ 0.0008836500000000, 0.0001163600000000, -0.0001826000000000 ] - [ 0.0002333100000000, 0.0000186500000000, 0.0002990000000000 ] - [ -0.0002326300000000, -0.0005322200000000, 0.0006350000000000 ] - [ -0.1834770400000000, -0.0278749500000000, 0.2123956400000000 ] - [ -0.0008780400000000, 0.0003503800000000, -0.0004313700000000 ] - [ 0.0002037100000000, -0.0010709900000000, -0.0010399300000000 ] - [ 0.0001758500000000, -0.0006705500000000, -0.0005818100000000 ] - [ 0.0000787700000000, -0.0004450400000000, 0.0003690500000000 ] - [ 0.0002228500000000, -0.0006390800000000, 0.0003047100000000 ] - [ 0.0002056400000000, 0.0003960700000000, 0.0002790000000000 ] - [ 0.0000487000000000, 0.0003585300000000, 0.0003894300000000 ] - [ -0.0003593400000000, 0.0002383700000000, 0.0003288400000000 ] - [ -0.0003572000000000, 0.0003534000000000, 0.0003465000000000 ] - [ 0.0006812300000000, 0.0003982100000000, 0.0007301900000000 ] - [ 0.0004746700000000, -0.0001438600000000, 0.0002419600000000 ] - [ -0.0000179500000000, 0.0002493300000000, 0.0003966600000000 ] - [ -0.0000092000000000, 0.0003757500000000, 0.0004295000000000 ] - [ 0.0003197100000000, -0.0002450300000000, 0.0003177700000000 ] - [ 0.0002863600000000, -0.0002494900000000, 0.0002457500000000 ] - [ -0.0004287100000000, 0.0010160900000000, -0.0002366700000000 ] - [ 0.0000214200000000, -0.0001974100000000, -0.0014571200000000 ] - [ -0.0001535100000000, 0.0002864700000000, -0.0007502700000000 ] - [ 0.0020739300000000, -0.0010026800000000, -0.0000633700000000 ] - [ -0.0004424000000000, -0.0003148400000000, 0.0003265300000000 ] - [ -0.0003800700000000, -0.0002866000000000, 0.0003471700000000 ] - [ 0.0013596300000000, 0.0010847300000000, -0.0011175700000000 ] - [ 0.0000009600000000, -0.0008057900000000, -0.0003480800000000 ] - [ -0.0000064400000000, -0.0003391100000000, 0.0002362900000000 ] - [ -0.0000406800000000, -0.0003329800000000, 0.0003133700000000 ] - [ -0.0006354400000000, 0.0005664800000000, -0.0001896900000000 ] - [ -0.0012502200000000, -0.0005403200000000, 0.0001332000000000 ] - [ -0.0002390400000000, -0.0001620700000000, -0.0004376600000000 ] - [ 0.0006071700000000, 0.0004559200000000, -0.0004233100000000 ] - [ -0.0001661900000000, 0.0001820400000000, -0.0007944000000000 ] - [ -0.0003678100000000, 0.0000619400000000, -0.0004848600000000 ] - [ -0.0002951700000000, -0.0000704700000000, 0.0002058100000000 ] - [ -0.0002932000000000, -0.0000927500000000, 0.0003346500000000 ] - [ 0.0006858800000000, 0.0002700500000000, 0.0000056700000000 ] - [ 0.0003210800000000, 0.0001247900000000, 0.0002805700000000 ] - [ 0.0003338100000000, 0.0000792400000000, -0.0005609500000000 ] - [ 0.0186632400000000, 0.0079055100000000, -0.0313312800000000 ] - [ 0.0005207200000000, -0.0002715700000000, -0.0004156000000000 ] - [ 0.0005219200000000, -0.0002736700000000, -0.0002503600000000 ] - [ -0.0000478000000000, 0.0001890500000000, 0.0001141100000000 ] - [ -0.0002360400000000, 0.0002058200000000, 0.0002811000000000 ] - [ -0.0018568200000000, -0.0005806200000000, -0.0004613600000000 ] - [ -0.0002484100000000, 0.0004701500000000, -0.0009868600000000 ] - [ -0.0002444000000000, -0.0003346200000000, -0.0006573200000000 ] - [ -0.0004598200000000, -0.0001391900000000, -0.0005870200000000 ] - [ 0.0003077500000000, -0.0000704100000000, -0.0009133900000000 ] - [ 0.0000809000000000, 0.0001492700000000, -0.0006276700000000 ] - [ 0.0006746000000000, 0.0004688000000000, -0.0002778500000000 ] - [ 0.0005087100000000, 0.0001215500000000, -0.0003100700000000 ] - [ 0.0003312700000000, -0.0002867000000000, -0.0005055200000000 ] - [ 0.0017216000000000, -0.0005762600000000, 0.0006800300000000 ] - [ -0.0017381700000000, 0.0012663500000000, -0.0007500900000000 ] - [ -0.0006202100000000, 0.0003959900000000, -0.0007447300000000 ] - [ 0.0003182600000000, 0.0002747300000000, -0.0003746500000000 ] - [ 0.0003699100000000, 0.0003352200000000, -0.0003003300000000 ] - [ -0.0001268700000000, 0.0002608600000000, -0.0004933700000000 ] - [ 0.0003125600000000, 0.0004726500000000, -0.0007445000000000 ] - [ -0.0006487400000000, -0.0001045100000000, 0.0000922200000000 ] - [ -0.0003687400000000, 0.0000607200000000, -0.0001201700000000 ] - [ -0.0007606300000000, -0.0001226000000000, 0.0001111100000000 ] - [ -0.0008212100000000, -0.0000046200000000, 0.0002009600000000 ] - [ -0.0002678100000000, 0.0003538000000000, 0.0004540400000000 ] - [ -0.0006179200000000, 0.0007462800000000, -0.0004096500000000 ] - [ 0.0000349400000000, -0.0000605000000000, 0.0003211700000000 ] - [ -0.0003846900000000, -0.0001201000000000, 0.0005767400000000 ] - [ 0.0001207100000000, 0.0005871000000000, 0.0002332300000000 ] - [ 0.0000474600000000, 0.0004410400000000, 0.0001583000000000 ] - [ 0.0001681900000000, -0.0001037300000000, -0.0002763800000000 ] - [ 0.0001935200000000, 0.0001186100000000, -0.0003103200000000 ] - [ -0.0002736200000000, -0.0003269000000000, 0.0002812500000000 ] - [ -0.0003449200000000, -0.0003667100000000, 0.0003162400000000 ] - [ -0.0008452200000000, -0.0011751100000000, -0.0000871100000000 ] - [ -0.0003382700000000, -0.0007412400000000, 0.0001692000000000 ] - [ 0.0003969100000000, 0.0009629600000000, 0.0003459500000000 ] - [ 0.0010727100000000, 0.0010590700000000, 0.0003352800000000 ] - [ -0.0000453700000000, 0.0004626600000000, 0.0001891900000000 ] - [ -0.0012582400000000, 0.0013197800000000, -0.0007438800000000 ] - [ -0.0001614300000000, 0.0003467200000000, -0.0002955800000000 ] - [ -0.0002153500000000, 0.0003594900000000, -0.0002506800000000 ] - [ 0.0001532800000000, 0.0002978700000000, 0.0003969200000000 ] - [ 0.0005323200000000, 0.0002133700000000, 0.0001108300000000 ] - [ -0.0002827000000000, -0.0001275400000000, 0.0000819500000000 ] - [ -0.0002091000000000, -0.0001717400000000, 0.0000555900000000 ] - [ -0.0003741900000000, 0.0002392800000000, 0.0002780000000000 ] - [ -0.0002071400000000, -0.0000340500000000, 0.0001476300000000 ] - [ -0.0004682400000000, 0.0002878500000000, -0.0001653400000000 ] - [ -0.0003853900000000, 0.0001676600000000, -0.0001874300000000 ] - [ 0.0003614500000000, -0.0003459600000000, 0.0002672700000000 ] - [ 0.0001724600000000, -0.0000419000000000, 0.0005433700000000 ] - [ 0.0006627800000000, -0.0007739300000000, 0.0005386500000000 ] - [ -0.0018977500000000, -0.0014298400000000, -0.0003579200000000 ] - [ 0.0010195400000000, -0.0002603800000000, 0.0006520000000000 ] - [ 0.0010612700000000, 0.0001457300000000, 0.0001945800000000 ] - [ 0.0011155500000000, -0.0004459100000000, -0.0001828200000000 ] - [ 0.0003514400000000, -0.0005033100000000, -0.0002819700000000 ] - [ 0.0001483800000000, -0.0001033100000000, -0.0002796000000000 ] - [ -0.0004714900000000, -0.0000498300000000, -0.0004180800000000 ] - [ 0.0012547700000000, -0.0010771300000000, -0.0004877900000000 ] - [ 0.0005301600000000, -0.0003992700000000, 0.0005749700000000 ] - [ 0.0006149900000000, -0.0003161500000000, 0.0001334700000000 ] - [ 0.0010150200000000, -0.0001698600000000, 0.0000052200000000 ] - [ -0.0003241100000000, -0.0003182300000000, -0.0002505800000000 ] - [ -0.0004783000000000, -0.0004147000000000, 0.0001159900000000 ] - [ -0.0006047700000000, -0.0000993200000000, 0.0003429800000000 ] - [ -0.0004520700000000, 0.0000032400000000, 0.0002725500000000 ] - [ 0.0000080700000000, 0.0000811600000000, 0.0006584500000000 ] - [ 0.0000665100000000, -0.0001251300000000, 0.0004673900000000 ] - [ -0.0005292000000000, 0.0005126100000000, 0.0001923700000000 ] - [ -0.0005168700000000, 0.0005273500000000, 0.0001231900000000 ] - [ -0.0005688100000000, 0.0020368100000000, -0.0005538000000000 ] - [ -0.0008219300000000, 0.0013785000000000, 0.0010025200000000 ] - [ -0.0001824200000000, -0.0009241800000000, 0.0032454000000000 ] - [ 0.0004119500000000, -0.0010091900000000, 0.0003785700000000 ] - [ -0.0006555800000000, -0.0003233700000000, 0.0003519100000000 ] - [ 0.1625103500000000, 0.0205214400000000, -0.1830017500000000 ] - [ 0.0000956200000000, -0.0003321100000000, 0.0001103000000000 ] - [ 0.0008488700000000, -0.0013901800000000, 0.0011919600000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002379400000000, 0.0003099600000000, 0.0002774600000000 ] - [ -0.0003225100000000, 0.0001735600000000, -0.0000204800000000 ] - [ -0.0004952300000000, 0.0003062800000000, 0.0001761500000000 ] - [ -0.0005158900000000, 0.0004282400000000, 0.0002526100000000 ] - [ 0.0001923400000000, -0.0005682100000000, 0.0001294900000000 ] - [ -0.0002460100000000, -0.0015277400000000, 0.0008619300000000 ] - [ -0.0014003200000000, -0.0000017200000000, 0.0000067400000000 ] - [ -0.0006067500000000, -0.0003112800000000, 0.0003013800000000 ] - [ -0.0001544200000000, 0.0002579800000000, 0.0002018000000000 ] - [ -0.0001107000000000, 0.0004519300000000, 0.0002039600000000 ] - [ 0.0000125600000000, 0.0007365300000000, 0.0004945200000000 ] - [ 0.0005846800000000, -0.0001024500000000, 0.0001122200000000 ] - [ -0.0001233800000000, -0.0002044800000000, -0.0001779600000000 ] - [ -0.0001057400000000, -0.0000629200000000, -0.0002865400000000 ] - [ -0.0008308400000000, -0.0000251100000000, -0.0004950800000000 ] - [ -0.0008919600000000, -0.0001107600000000, -0.0004543300000000 ] - [ 0.0004221600000000, 0.0003809600000000, 0.0003936100000000 ] - [ 0.0008959600000000, 0.0009337900000000, 0.0000567400000000 ] - [ 0.1802864600000000, 0.0271481900000000, -0.2040836100000000 ] - [ -0.0006528400000000, 0.0003459200000000, -0.0002878100000000 ] - [ 0.0002035800000000, 0.0004225700000000, -0.0002197700000000 ] - [ 0.0002295800000000, 0.0000237000000000, -0.0006745300000000 ] - [ -0.0000612700000000, -0.0003217700000000, 0.0003234400000000 ] - [ -0.0002058900000000, -0.0001345500000000, 0.0003863300000000 ] - [ -0.0002248100000000, 0.0003696700000000, 0.0004144000000000 ] - [ -0.0000668100000000, 0.0004080300000000, 0.0003025700000000 ] - [ -0.0003129700000000, 0.0001292000000000, 0.0003629300000000 ] - [ -0.0003133200000000, 0.0000122700000000, 0.0003455300000000 ] - [ -0.0000118300000000, -0.0007599600000000, -0.0000342900000000 ] - [ 0.0001957400000000, -0.0002246700000000, 0.0004514700000000 ] - [ 0.0001273900000000, 0.0004131800000000, 0.0001678800000000 ] - [ 0.0001183800000000, 0.0002860700000000, 0.0001374500000000 ] - [ 0.0001999400000000, -0.0001810300000000, 0.0002468800000000 ] - [ 0.0002330700000000, -0.0001765800000000, 0.0003180500000000 ] - [ 0.0002643700000000, 0.0006587000000000, -0.0004878500000000 ] - [ -0.0001812400000000, 0.0018739100000000, 0.0007461400000000 ] - [ -0.0002530100000000, 0.0003638700000000, -0.0005057700000000 ] - [ -0.0025064300000000, 0.0016732200000000, -0.0012014900000000 ] - [ -0.0002118800000000, -0.0000820700000000, 0.0003656000000000 ] - [ -0.0002739300000000, -0.0001104300000000, 0.0003455100000000 ] - [ -0.0011949500000000, -0.0027824900000000, 0.0004090600000000 ] - [ 0.0001630700000000, -0.0008686000000000, -0.0003716100000000 ] - [ -0.0001028400000000, -0.0003218400000000, 0.0003285200000000 ] - [ -0.0000684500000000, -0.0003289900000000, 0.0002528300000000 ] - [ -0.0007353100000000, -0.0015643000000000, -0.0005338900000000 ] - [ -0.0001137100000000, -0.0004388100000000, -0.0008548900000000 ] - [ 0.0015998400000000, 0.0011683700000000, -0.0002903800000000 ] - [ 0.0007610900000000, 0.0005235000000000, -0.0002957600000000 ] - [ -0.0005994300000000, -0.0002123800000000, -0.0004612800000000 ] - [ -0.0003980400000000, -0.0000911100000000, -0.0007738700000000 ] - [ -0.0003313400000000, -0.0001681700000000, 0.0003612200000000 ] - [ -0.0003335000000000, -0.0001460500000000, 0.0002313500000000 ] - [ -0.0000567600000000, -0.0000292700000000, 0.0005562600000000 ] - [ 0.0003054800000000, 0.0001137400000000, 0.0002868500000000 ] - [ 0.0004329500000000, -0.0000517600000000, -0.0006961800000000 ] - [ -0.0173853900000000, -0.0081654200000000, 0.0294470300000000 ] - [ 0.0010120500000000, -0.0004246500000000, -0.0003053500000000 ] - [ 0.0010132700000000, -0.0004233300000000, -0.0004682200000000 ] - [ -0.0004733400000000, 0.0002375700000000, 0.0004513100000000 ] - [ -0.0002840700000000, 0.0002202700000000, 0.0002839200000000 ] - [ 0.0022336900000000, 0.0012523700000000, -0.0008244700000000 ] - [ 0.0006109300000000, 0.0002084400000000, -0.0002694600000000 ] - [ -0.0001154100000000, -0.0003429700000000, -0.0005992500000000 ] - [ 0.0001091500000000, -0.0005357800000000, -0.0006696900000000 ] - [ -0.0002757100000000, 0.0006577400000000, -0.0000997000000000 ] - [ -0.0000483100000000, 0.0004387900000000, -0.0003842700000000 ] - [ -0.0001764400000000, -0.0007958700000000, -0.0007295800000000 ] - [ -0.0000112300000000, -0.0004460100000000, -0.0006994500000000 ] - [ -0.0003676200000000, -0.0002997500000000, -0.0005084300000000 ] - [ -0.0017676500000000, -0.0000078600000000, -0.0017025800000000 ] - [ 0.0012202700000000, -0.0015423100000000, -0.0002692200000000 ] - [ 0.0001029800000000, -0.0006699400000000, -0.0002652500000000 ] - [ 0.0001995000000000, -0.0000043800000000, -0.0006374100000000 ] - [ 0.0001464100000000, -0.0000628800000000, -0.0007113100000000 ] - [ -0.0003749900000000, 0.0000587700000000, -0.0005128000000000 ] - [ -0.0008150900000000, -0.0001269800000000, -0.0002663900000000 ] - [ 0.0002805600000000, 0.0006403000000000, 0.0001389500000000 ] - [ -0.0000004100000000, 0.0004740400000000, 0.0003549000000000 ] - [ -0.0005507400000000, -0.0002790200000000, 0.0002146200000000 ] - [ -0.0004896900000000, -0.0003926900000000, 0.0001259800000000 ] - [ 0.0000987500000000, 0.0001321000000000, 0.0003176700000000 ] - [ 0.0004521000000000, -0.0002634600000000, 0.0011876300000000 ] - [ 0.0004774600000000, -0.0000378700000000, 0.0004442900000000 ] - [ 0.0008939100000000, 0.0000156500000000, 0.0001941200000000 ] - [ 0.0001799400000000, 0.0007574800000000, 0.0000911300000000 ] - [ 0.0002530100000000, 0.0009061900000000, 0.0001666300000000 ] - [ 0.0003273100000000, 0.0006381000000000, -0.0002096300000000 ] - [ 0.0003025300000000, 0.0004136900000000, -0.0001750700000000 ] - [ -0.0000546700000000, -0.0000622300000000, 0.0004869600000000 ] - [ 0.0000178500000000, -0.0000220300000000, 0.0004508700000000 ] - [ 0.0005424900000000, -0.0001751800000000, 0.0004102000000000 ] - [ 0.0000405800000000, -0.0006027500000000, 0.0001548000000000 ] - [ 0.0000876800000000, 0.0008884400000000, 0.0003222200000000 ] - [ -0.0005920400000000, 0.0007728700000000, 0.0003329400000000 ] - [ 0.0003310600000000, 0.0001254600000000, 0.0000429600000000 ] - [ 0.0015514900000000, -0.0007388400000000, 0.0009832100000000 ] - [ -0.0000466200000000, 0.0003471800000000, -0.0001897200000000 ] - [ 0.0000076600000000, 0.0003323000000000, -0.0002339300000000 ] - [ 0.0011607300000000, 0.0001027700000000, -0.0000727800000000 ] - [ 0.0007800600000000, 0.0001876200000000, 0.0002153300000000 ] - [ -0.0003593700000000, 0.0000772400000000, 0.0001488300000000 ] - [ -0.0004367100000000, 0.0001184000000000, 0.0001746000000000 ] - [ 0.0000909400000000, -0.0008292200000000, -0.0000436700000000 ] - [ -0.0000758700000000, -0.0005568100000000, 0.0000850100000000 ] - [ -0.0002311500000000, -0.0001202600000000, -0.0003214800000000 ] - [ -0.0003139100000000, -0.0000011300000000, -0.0002990900000000 ] - [ -0.0000326600000000, 0.0007366000000000, 0.0005046200000000 ] - [ 0.0001571600000000, 0.0004329800000000, 0.0002232700000000 ] - [ 0.0006951500000000, -0.0005721200000000, 0.0001282600000000 ] - [ 0.0032782600000000, 0.0000942800000000, 0.0010367300000000 ] - [ 0.0008144600000000, 0.0007479100000000, 0.0000089400000000 ] - [ 0.0007746900000000, 0.0003413800000000, 0.0004659700000000 ] - [ -0.0009087700000000, -0.0002498800000000, -0.0003020600000000 ] - [ -0.0001447600000000, -0.0001909400000000, -0.0002063500000000 ] - [ 0.0005517700000000, -0.0000635900000000, -0.0002068200000000 ] - [ 0.0011748000000000, -0.0001204100000000, -0.0000663400000000 ] - [ -0.0006098900000000, 0.0011257000000000, 0.0007219900000000 ] - [ 0.0001113300000000, 0.0004519500000000, -0.0003479600000000 ] - [ 0.0003902600000000, -0.0006164800000000, 0.0001920700000000 ] - [ -0.0000145300000000, -0.0007595200000000, 0.0003193800000000 ] - [ -0.0001717800000000, -0.0002133400000000, -0.0002378100000000 ] - [ -0.0000095000000000, -0.0001241900000000, -0.0006008300000000 ] - [ 0.0000949500000000, 0.0002006700000000, 0.0004230600000000 ] - [ -0.0000574200000000, 0.0000963300000000, 0.0004955900000000 ] - [ 0.0001624400000000, -0.0005691800000000, 0.0001127400000000 ] - [ 0.0001039000000000, -0.0003625100000000, 0.0003027200000000 ] - [ -0.0004769700000000, 0.0004165200000000, 0.0001336100000000 ] - [ -0.0004892900000000, 0.0004029700000000, 0.0002017400000000 ] - [ -0.0007769100000000, -0.0006878100000000, 0.0012257500000000 ] - [ -0.0005356200000000, -0.0000359900000000, -0.0003403400000000 ] - [ -0.0003214200000000, -0.0009117800000000, -0.0026024000000000 ] - [ -0.0008999700000000, -0.0008426900000000, 0.0002907200000000 ] - [ -0.0011841400000000, -0.0001619400000000, 0.0003078300000000 ] - [ -0.1631956800000000, -0.0193004800000000, 0.1752754300000000 ] - [ 0.0002754100000000, -0.0001979500000000, 0.0001197100000000 ] - [ -0.0004854100000000, 0.0008555100000000, -0.0009387200000000 ]- atom: 19 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0003196800000000, 0.0002966600000000, 0.0002449100000000 ] - [ 0.0003190600000000, 0.0002487000000000, 0.0001477900000000 ] - [ -0.0005420900000000, 0.0003629400000000, 0.0001401600000000 ] - [ -0.0008259800000000, 0.0006480200000000, 0.0003695900000000 ] - [ 0.0002588100000000, -0.0005574900000000, 0.0005089500000000 ] - [ 0.0011973500000000, -0.0005916800000000, -0.0011719000000000 ] - [ -0.0012540400000000, -0.0003783300000000, 0.0001821800000000 ] - [ -0.0004925900000000, -0.0003324000000000, 0.0002217700000000 ] - [ 0.0001818300000000, 0.0007312000000000, 0.0001791200000000 ] - [ -0.0000586300000000, 0.0005458400000000, 0.0002756900000000 ] - [ -0.0004351600000000, 0.0005397000000000, 0.0006151600000000 ] - [ 0.0005346200000000, -0.0001633800000000, 0.0001309000000000 ] - [ -0.0004228600000000, 0.0010590200000000, -0.0004230700000000 ] - [ -0.0000501200000000, 0.0001936500000000, -0.0001731900000000 ] - [ -0.0002643500000000, 0.0000920800000000, -0.0002819300000000 ] - [ -0.0006692000000000, 0.0001249400000000, -0.0003594400000000 ] - [ 0.0002705800000000, 0.0002276200000000, 0.0004235300000000 ] - [ 0.0002040400000000, 0.0009005900000000, -0.0000894800000000 ] - [ 0.0674925700000000, -0.0139091800000000, -0.0507162900000000 ] - [ -0.0007074700000000, 0.0003582800000000, -0.0003132100000000 ] - [ 0.0001199400000000, 0.0007591000000000, -0.0003747800000000 ] - [ 0.0001399200000000, -0.0002155700000000, -0.0005266600000000 ] - [ -0.0000730100000000, -0.0003494600000000, 0.0002985800000000 ] - [ -0.0001811700000000, -0.0004037200000000, 0.0003930000000000 ] - [ -0.0001004300000000, 0.0002513100000000, 0.0003702400000000 ] - [ -0.0000115500000000, 0.0003241800000000, 0.0003426000000000 ] - [ -0.0002691700000000, 0.0001740500000000, 0.0003613500000000 ] - [ -0.0000442200000000, 0.0001139600000000, 0.0003754400000000 ] - [ 0.0011574500000000, -0.0006062200000000, 0.0001700100000000 ] - [ 0.0002255000000000, -0.0001948400000000, 0.0004517900000000 ] - [ -0.0000452400000000, 0.0004371600000000, 0.0006836500000000 ] - [ 0.0002040600000000, 0.0002563300000000, -0.0001733600000000 ] - [ 0.0001643800000000, -0.0001477400000000, 0.0002380200000000 ] - [ 0.0002413100000000, -0.0001824300000000, 0.0002834600000000 ] - [ 0.0002168800000000, 0.0003593300000000, -0.0005890900000000 ] - [ -0.0003096600000000, 0.0007718200000000, -0.0004172600000000 ] - [ -0.0002457100000000, 0.0002759600000000, -0.0005078700000000 ] - [ -0.0014731500000000, -0.0003714400000000, -0.0010890300000000 ] - [ -0.0002137000000000, 0.0000341900000000, 0.0003493900000000 ] - [ -0.0003156800000000, -0.0001143400000000, 0.0003629900000000 ] - [ 0.0009487400000000, -0.0013937200000000, -0.0005315800000000 ] - [ 0.0001490000000000, -0.0008868700000000, -0.0003412200000000 ] - [ -0.0000805300000000, -0.0002374000000000, 0.0002261900000000 ] - [ -0.0000570200000000, -0.0003216300000000, 0.0003144700000000 ] - [ -0.0005070700000000, -0.0015719400000000, -0.0008387800000000 ] - [ -0.0004158700000000, -0.0006665600000000, -0.0004657100000000 ] - [ 0.0007403300000000, 0.0031132300000000, -0.0009253700000000 ] - [ 0.0006935300000000, 0.0004688600000000, -0.0003404300000000 ] - [ -0.0001872000000000, -0.0002669300000000, -0.0005776700000000 ] - [ -0.0002570000000000, -0.0000911100000000, -0.0006478000000000 ] - [ -0.0002920800000000, -0.0000784300000000, 0.0003502000000000 ] - [ -0.0003050700000000, -0.0001113100000000, 0.0002305300000000 ] - [ 0.0002455700000000, 0.0000360700000000, 0.0001265600000000 ] - [ 0.0003135400000000, 0.0001150900000000, 0.0003248100000000 ] - [ 0.0004236100000000, -0.0000745900000000, -0.0007304400000000 ] - [ -0.0184332300000000, -0.0066547400000000, 0.0289313600000000 ] - [ 0.0009527100000000, -0.0003688200000000, -0.0004922200000000 ] - [ 0.0009543400000000, -0.0003670700000000, -0.0001518900000000 ] - [ -0.0003677100000000, 0.0001887700000000, 0.0003777500000000 ] - [ -0.0002811200000000, 0.0002101500000000, 0.0003296000000000 ] - [ 0.0007281400000000, 0.0006730100000000, 0.0009139200000000 ] - [ 0.0004573000000000, 0.0002686500000000, -0.0004142400000000 ] - [ -0.0000854900000000, -0.0002763600000000, -0.0006055100000000 ] - [ 0.0008099700000000, 0.0001027400000000, -0.0007377800000000 ] - [ -0.0008282200000000, 0.0007942500000000, 0.0001722900000000 ] - [ -0.0001911000000000, 0.0004013100000000, -0.0003744500000000 ] - [ 0.0001576500000000, -0.0001107600000000, -0.0006005600000000 ] - [ 0.0002197900000000, -0.0001943100000000, -0.0005112600000000 ] - [ -0.0003427500000000, -0.0003403000000000, -0.0004909000000000 ] - [ -0.0017988000000000, -0.0002027700000000, -0.0015739300000000 ] - [ -0.0000127100000000, 0.0017320000000000, -0.0008654800000000 ] - [ 0.0002086000000000, -0.0007484300000000, -0.0002907900000000 ] - [ 0.0003108300000000, 0.0002934700000000, -0.0003552300000000 ] - [ 0.0001782800000000, 0.0004895500000000, -0.0003184100000000 ] - [ -0.0003995300000000, -0.0001487900000000, -0.0004717700000000 ] - [ -0.0002695600000000, 0.0009273900000000, -0.0008406100000000 ] - [ -0.0002362700000000, 0.0003813900000000, 0.0000971000000000 ] - [ -0.0002234700000000, 0.0003421100000000, 0.0001442000000000 ] - [ -0.0005115400000000, -0.0003026400000000, 0.0002341700000000 ] - [ -0.0004119700000000, -0.0003079700000000, 0.0001854700000000 ] - [ 0.0000921600000000, 0.0001526200000000, 0.0003071000000000 ] - [ 0.0004973600000000, -0.0002165700000000, 0.0010394700000000 ] - [ 0.0004105300000000, 0.0000461800000000, 0.0004020800000000 ] - [ 0.0004964600000000, -0.0000960900000000, 0.0004733200000000 ] - [ 0.0001156900000000, 0.0006426600000000, 0.0000883500000000 ] - [ -0.0000637000000000, 0.0006509800000000, 0.0002314500000000 ] - [ 0.0002144700000000, 0.0001313900000000, -0.0002646400000000 ] - [ 0.0002220300000000, 0.0002865900000000, -0.0002199200000000 ] - [ -0.0002979400000000, -0.0003007300000000, 0.0002752200000000 ] - [ -0.0001318400000000, -0.0002722100000000, 0.0002208600000000 ] - [ -0.0004561300000000, -0.0003020900000000, 0.0003704100000000 ] - [ -0.0000238600000000, -0.0006613600000000, 0.0001267200000000 ] - [ 0.0001343900000000, 0.0008632900000000, 0.0004166000000000 ] - [ -0.0003704700000000, -0.0006596300000000, 0.0002831000000000 ] - [ 0.0003556100000000, 0.0002457400000000, 0.0000336900000000 ] - [ 0.0018047000000000, 0.0000747400000000, 0.0010562700000000 ] - [ -0.0001488500000000, 0.0002944300000000, -0.0003030200000000 ] - [ -0.0000180500000000, 0.0000746000000000, -0.0002815200000000 ] - [ 0.0009336300000000, 0.0002344800000000, 0.0000294000000000 ] - [ 0.0007280000000000, 0.0002398800000000, 0.0001609300000000 ] - [ -0.0003698700000000, -0.0001501000000000, 0.0000454500000000 ] - [ -0.0007860700000000, -0.0005187900000000, 0.0000371600000000 ] - [ 0.0004429200000000, -0.0010653300000000, -0.0001363700000000 ] - [ 0.0000258500000000, -0.0004256400000000, -0.0000130900000000 ] - [ 0.0000170400000000, -0.0001861300000000, -0.0003862000000000 ] - [ -0.0002708500000000, 0.0000424400000000, -0.0002701100000000 ] - [ -0.0001278800000000, -0.0002898000000000, 0.0007989200000000 ] - [ 0.0000969700000000, 0.0003876900000000, 0.0001812700000000 ] - [ 0.0006846500000000, -0.0004945000000000, 0.0001620000000000 ] - [ 0.0005390500000000, 0.0002634700000000, 0.0006683500000000 ] - [ 0.0004310900000000, 0.0003392100000000, 0.0005454600000000 ] - [ 0.0007356500000000, 0.0003046300000000, 0.0002337600000000 ] - [ 0.0000360900000000, -0.0009984800000000, -0.0003802600000000 ] - [ -0.0001919700000000, -0.0001678000000000, -0.0000372000000000 ] - [ 0.0005232700000000, -0.0000102100000000, -0.0002532700000000 ] - [ 0.0011625800000000, 0.0001586900000000, -0.0000860200000000 ] - [ -0.0004444900000000, -0.0010294200000000, -0.0001680000000000 ] - [ 0.0000659600000000, 0.0005186000000000, -0.0003855800000000 ] - [ 0.0005736200000000, -0.0006321400000000, -0.0002165700000000 ] - [ 0.0003559200000000, -0.0010657000000000, 0.0007533700000000 ] - [ -0.0002572200000000, -0.0001086600000000, -0.0003027200000000 ] - [ 0.0004955000000000, -0.0003835000000000, -0.0002360700000000 ] - [ -0.0001272500000000, -0.0000087400000000, 0.0003962300000000 ] - [ -0.0002059600000000, 0.0000461600000000, 0.0003778800000000 ] - [ 0.0004600200000000, -0.0007656100000000, 0.0000269700000000 ] - [ 0.0001610700000000, -0.0003788600000000, 0.0002920400000000 ] - [ -0.0005529400000000, 0.0002049800000000, 0.0002290800000000 ] - [ -0.0004714100000000, 0.0003840600000000, 0.0001394500000000 ] - [ 0.0000286500000000, -0.0003656700000000, 0.0019211900000000 ] - [ -0.0005919400000000, 0.0006918600000000, 0.0003551500000000 ] - [ 0.0002524400000000, 0.0011278400000000, -0.0018842000000000 ] - [ -0.0005594200000000, -0.0007627100000000, 0.0003254700000000 ] - [ -0.0011051500000000, -0.0000730300000000, 0.0003249400000000 ] - [ -0.0500151300000000, 0.0168848700000000, 0.0236897400000000 ] - [ 0.0003343800000000, -0.0001127100000000, 0.0001418800000000 ] - [ -0.0020788100000000, 0.0008271700000000, -0.0007142900000000 ]- atom: 19 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0004874200000000, 0.0003908800000000, 0.0001883700000000 ] - [ 0.0004904600000000, 0.0004381800000000, 0.0002870100000000 ] - [ -0.0004483100000000, -0.0000178400000000, 0.0002920600000000 ] - [ -0.0001637500000000, -0.0003037600000000, 0.0000602900000000 ] - [ -0.0000680500000000, -0.0005176200000000, -0.0000643500000000 ] - [ -0.0009856700000000, -0.0004836700000000, 0.0016122700000000 ] - [ 0.0004512300000000, -0.0003045900000000, 0.0002540200000000 ] - [ -0.0003158400000000, -0.0003532500000000, 0.0002114700000000 ] - [ -0.0003733000000000, 0.0003441600000000, 0.0002673100000000 ] - [ -0.0001327600000000, 0.0005289300000000, 0.0001692600000000 ] - [ 0.0014206400000000, -0.0008853300000000, -0.0001765800000000 ] - [ 0.0004565900000000, -0.0001835500000000, 0.0002985500000000 ] - [ 0.0004311000000000, -0.0010538000000000, -0.0002066400000000 ] - [ 0.0000541600000000, -0.0001957000000000, -0.0004635400000000 ] - [ 0.0002609600000000, -0.0000919000000000, -0.0003540600000000 ] - [ 0.0006646800000000, -0.0001231300000000, -0.0002782900000000 ] - [ 0.0003837800000000, 0.0001691600000000, 0.0002683200000000 ] - [ 0.0004430800000000, -0.0004971200000000, 0.0007779600000000 ] - [ -0.0667683200000000, 0.0140467500000000, 0.0474514300000000 ] - [ -0.0008241100000000, 0.0003379300000000, -0.0004063500000000 ] - [ 0.0002867000000000, -0.0014135300000000, -0.0008824000000000 ] - [ 0.0002661300000000, -0.0004308500000000, -0.0007326900000000 ] - [ 0.0000907300000000, -0.0004161300000000, 0.0003943800000000 ] - [ 0.0002002800000000, -0.0003675300000000, 0.0002975400000000 ] - [ 0.0000839100000000, 0.0005143800000000, 0.0003220000000000 ] - [ -0.0000056100000000, 0.0004413500000000, 0.0003498800000000 ] - [ -0.0004028700000000, 0.0001938500000000, 0.0003302300000000 ] - [ -0.0006285900000000, 0.0002550200000000, 0.0003161800000000 ] - [ -0.0004901200000000, 0.0002340000000000, 0.0005189000000000 ] - [ 0.0004461500000000, -0.0001748300000000, 0.0002410100000000 ] - [ 0.0001541700000000, 0.0002236900000000, -0.0001162300000000 ] - [ -0.0000940400000000, 0.0004050200000000, 0.0007318800000000 ] - [ 0.0003560300000000, -0.0002781900000000, 0.0003283800000000 ] - [ 0.0002781700000000, -0.0002432000000000, 0.0002783500000000 ] - [ -0.0003869700000000, 0.0013231700000000, -0.0001371300000000 ] - [ 0.0001452400000000, 0.0009195000000000, -0.0002916100000000 ] - [ -0.0001601300000000, 0.0003737400000000, -0.0007496900000000 ] - [ 0.0010754700000000, 0.0009962800000000, -0.0001673200000000 ] - [ -0.0004425400000000, -0.0004338100000000, 0.0003428400000000 ] - [ -0.0003390800000000, -0.0002835400000000, 0.0003289400000000 ] - [ -0.0007661500000000, -0.0002605800000000, -0.0001940000000000 ] - [ 0.0000143000000000, -0.0007870400000000, -0.0003785900000000 ] - [ -0.0000287700000000, -0.0004249800000000, 0.0003404900000000 ] - [ -0.0000522300000000, -0.0003403900000000, 0.0002505600000000 ] - [ -0.0008623400000000, 0.0005873700000000, 0.0001127000000000 ] - [ -0.0009486400000000, -0.0003164000000000, -0.0002503400000000 ] - [ 0.0006163900000000, -0.0021570700000000, 0.0002143100000000 ] - [ 0.0006744400000000, 0.0005108500000000, -0.0003791300000000 ] - [ -0.0005772200000000, 0.0002401000000000, -0.0006813200000000 ] - [ -0.0005088500000000, 0.0000634600000000, -0.0006087700000000 ] - [ -0.0003341300000000, -0.0001598000000000, 0.0002162400000000 ] - [ -0.0003210100000000, -0.0001264400000000, 0.0003346700000000 ] - [ 0.0003780600000000, 0.0002015200000000, 0.0004412200000000 ] - [ 0.0003130400000000, 0.0001231500000000, 0.0002412400000000 ] - [ 0.0003422100000000, 0.0001030700000000, -0.0005262200000000 ] - [ 0.0197577900000000, 0.0068947500000000, -0.0302770900000000 ] - [ 0.0005775200000000, -0.0003270300000000, -0.0002284400000000 ] - [ 0.0005762300000000, -0.0003269700000000, -0.0005688800000000 ] - [ -0.0001523000000000, 0.0002360400000000, 0.0001892600000000 ] - [ -0.0002386800000000, 0.0002158300000000, 0.0002343900000000 ] - [ -0.0003649500000000, -0.0000152300000000, -0.0021780400000000 ] - [ -0.0000962200000000, 0.0004043100000000, -0.0008427800000000 ] - [ -0.0002747700000000, -0.0004012000000000, -0.0006516400000000 ] - [ -0.0011792700000000, -0.0007801000000000, -0.0005172900000000 ] - [ 0.0008646200000000, -0.0002064600000000, -0.0011847100000000 ] - [ 0.0002251800000000, 0.0001859900000000, -0.0006394100000000 ] - [ 0.0003459900000000, -0.0002061500000000, -0.0004046000000000 ] - [ 0.0002810800000000, -0.0001247700000000, -0.0004961900000000 ] - [ 0.0003100200000000, -0.0002478400000000, -0.0005220000000000 ] - [ 0.0017503600000000, -0.0003878700000000, 0.0005537600000000 ] - [ -0.0004914400000000, -0.0020180200000000, -0.0001275800000000 ] - [ -0.0007239200000000, 0.0004764400000000, -0.0007222800000000 ] - [ 0.0002067300000000, -0.0000228700000000, -0.0006570800000000 ] - [ 0.0003392200000000, -0.0002202500000000, -0.0006949900000000 ] - [ -0.0001004200000000, 0.0004707200000000, -0.0005366000000000 ] - [ -0.0002306300000000, -0.0005656300000000, -0.0001798000000000 ] - [ -0.0001374500000000, 0.0001482400000000, 0.0001336600000000 ] - [ -0.0001481200000000, 0.0001891300000000, 0.0000867500000000 ] - [ -0.0008008200000000, -0.0001003400000000, 0.0000905400000000 ] - [ -0.0009012700000000, -0.0000924800000000, 0.0001427400000000 ] - [ -0.0002620800000000, 0.0003354900000000, 0.0004644500000000 ] - [ -0.0006623700000000, 0.0007028500000000, -0.0002636900000000 ] - [ 0.0001000800000000, -0.0001455300000000, 0.0003652200000000 ] - [ 0.0000091200000000, -0.0000101500000000, 0.0003029600000000 ] - [ 0.0001835700000000, 0.0007014000000000, 0.0002372300000000 ] - [ 0.0003623300000000, 0.0006910900000000, 0.0000945600000000 ] - [ 0.0002799800000000, 0.0003980900000000, -0.0002224100000000 ] - [ 0.0002736700000000, 0.0002438200000000, -0.0002652900000000 ] - [ -0.0000304500000000, -0.0000875200000000, 0.0004933100000000 ] - [ -0.0001968600000000, -0.0001161400000000, 0.0005489700000000 ] - [ 0.0001608100000000, -0.0010408800000000, -0.0000441500000000 ] - [ -0.0002742500000000, -0.0006823300000000, 0.0001990500000000 ] - [ 0.0003516500000000, 0.0009868500000000, 0.0002515500000000 ] - [ 0.0008694900000000, 0.0025150800000000, 0.0003832100000000 ] - [ -0.0000723100000000, 0.0003447100000000, 0.0001992900000000 ] - [ -0.0015035000000000, 0.0005207300000000, -0.0008164000000000 ] - [ -0.0000599700000000, 0.0004010000000000, -0.0001815100000000 ] - [ -0.0001902700000000, 0.0006218000000000, -0.0002036900000000 ] - [ 0.0003775500000000, 0.0001686800000000, 0.0002952600000000 ] - [ 0.0005830300000000, 0.0001628700000000, 0.0001666300000000 ] - [ -0.0002720600000000, 0.0000996200000000, 0.0001857000000000 ] - [ 0.0001476400000000, 0.0004698500000000, 0.0001937500000000 ] - [ -0.0007276200000000, 0.0004792400000000, 0.0003691100000000 ] - [ -0.0003100300000000, -0.0001651700000000, 0.0002479900000000 ] - [ -0.0007204200000000, 0.0003522100000000, -0.0001016700000000 ] - [ -0.0004301900000000, 0.0001234200000000, -0.0002146600000000 ] - [ 0.0004565400000000, 0.0006823900000000, -0.0000403900000000 ] - [ 0.0002309400000000, 0.0000013900000000, 0.0005875000000000 ] - [ 0.0006720500000000, -0.0008525400000000, 0.0005070000000000 ] - [ 0.0007881500000000, -0.0016126400000000, -0.0000049600000000 ] - [ 0.0014067500000000, 0.0001415700000000, 0.0001175100000000 ] - [ 0.0011017700000000, 0.0001787200000000, 0.0004264100000000 ] - [ 0.0001637900000000, 0.0003046200000000, -0.0001125300000000 ] - [ 0.0003984800000000, -0.0005268600000000, -0.0004462800000000 ] - [ 0.0001772400000000, -0.0001562300000000, -0.0002328300000000 ] - [ -0.0004557000000000, -0.0003208900000000, -0.0004001400000000 ] - [ 0.0010847600000000, 0.0011020900000000, 0.0003979200000000 ] - [ 0.0005759900000000, -0.0004638700000000, 0.0006169500000000 ] - [ 0.0004330500000000, -0.0002972300000000, 0.0005417300000000 ] - [ 0.0006536000000000, 0.0001250100000000, -0.0004219400000000 ] - [ -0.0002391000000000, -0.0004249800000000, -0.0001841600000000 ] - [ -0.0009833700000000, -0.0001621500000000, -0.0002527000000000 ] - [ -0.0003866700000000, 0.0001064700000000, 0.0003693900000000 ] - [ -0.0003053900000000, 0.0000521300000000, 0.0003894500000000 ] - [ -0.0002908100000000, 0.0002780500000000, 0.0007430400000000 ] - [ 0.0000085100000000, -0.0001073300000000, 0.0004796900000000 ] - [ -0.0004523200000000, 0.0007276300000000, 0.0000954200000000 ] - [ -0.0005351600000000, 0.0005466100000000, 0.0001873000000000 ] - [ -0.0013832300000000, 0.0017051000000000, -0.0012701000000000 ] - [ -0.0007620500000000, 0.0006433300000000, 0.0003060700000000 ] - [ -0.0007544600000000, -0.0029348500000000, 0.0025661400000000 ] - [ 0.0000715300000000, -0.0010825900000000, 0.0003413100000000 ] - [ -0.0007316500000000, -0.0004128900000000, 0.0003357000000000 ] - [ 0.0454000500000000, -0.0170348900000000, -0.0204017700000000 ] - [ 0.0000354200000000, -0.0004195300000000, 0.0000882200000000 ] - [ 0.0024041100000000, -0.0013748900000000, 0.0009595500000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002915700000000, 0.0002682100000000, 0.0003034900000000 ] - [ 0.0006408600000000, 0.0004704500000000, 0.0002346400000000 ] - [ -0.0004953000000000, 0.0001488400000000, 0.0003325800000000 ] - [ -0.0006291100000000, 0.0003140200000000, 0.0001862500000000 ] - [ 0.0003035900000000, -0.0003446800000000, 0.0005689400000000 ] - [ -0.0000632800000000, -0.0006598700000000, 0.0005133300000000 ] - [ -0.0001236600000000, -0.0003270100000000, -0.0002520900000000 ] - [ -0.0003864900000000, -0.0003352400000000, 0.0004646000000000 ] - [ -0.0000010600000000, 0.0005855700000000, 0.0000344000000000 ] - [ -0.0000681200000000, 0.0005721900000000, 0.0003825100000000 ] - [ -0.0000970200000000, 0.0003455000000000, -0.0004136900000000 ] - [ 0.0005220600000000, -0.0002300900000000, 0.0005103600000000 ] - [ -0.0001590400000000, 0.0003658800000000, -0.0012615600000000 ] - [ 0.0000402500000000, 0.0001677000000000, 0.0002539000000000 ] - [ -0.0000504300000000, 0.0000708900000000, -0.0004929700000000 ] - [ -0.0000347200000000, -0.0002540900000000, 0.0002252400000000 ] - [ 0.0002799300000000, 0.0003312200000000, 0.0004899100000000 ] - [ 0.0003424200000000, -0.0002745700000000, 0.0003873200000000 ] - [ 0.2000372100000000, 0.0615815100000000, -0.2980936700000000 ] - [ -0.0008373800000000, 0.0003605600000000, -0.0001766100000000 ] - [ 0.0000372700000000, -0.0012466000000000, -0.0010035600000000 ] - [ 0.0001646800000000, -0.0002001500000000, -0.0004746600000000 ] - [ 0.0000671600000000, -0.0004376700000000, 0.0003994900000000 ] - [ -0.0001450700000000, 0.0002060100000000, 0.0004477600000000 ] - [ -0.0001139400000000, 0.0003782000000000, 0.0002320100000000 ] - [ -0.0000019400000000, 0.0003405700000000, 0.0004240000000000 ] - [ -0.0003520800000000, 0.0001775400000000, 0.0003776400000000 ] - [ -0.0001882600000000, 0.0002198200000000, 0.0003389100000000 ] - [ 0.0012689300000000, -0.0002728200000000, 0.0000462500000000 ] - [ 0.0003540000000000, -0.0001693100000000, 0.0003955100000000 ] - [ 0.0000124000000000, 0.0004961700000000, 0.0004701600000000 ] - [ 0.0000427400000000, 0.0003121900000000, 0.0004870400000000 ] - [ 0.0002948500000000, -0.0002161300000000, 0.0002825700000000 ] - [ 0.0002676100000000, -0.0002082400000000, 0.0004250400000000 ] - [ 0.0003076100000000, 0.0004873700000000, 0.0003887000000000 ] - [ -0.0003822600000000, 0.0004686100000000, -0.0000131700000000 ] - [ -0.0003093500000000, 0.0003239600000000, -0.0003831400000000 ] - [ 0.0012530100000000, -0.0003778300000000, -0.0011516900000000 ] - [ -0.0004702000000000, -0.0002865100000000, 0.0002516100000000 ] - [ -0.0003114900000000, -0.0001816800000000, 0.0003949600000000 ] - [ 0.0007327300000000, -0.0005454700000000, -0.0016440900000000 ] - [ 0.0001266600000000, -0.0008856900000000, -0.0002226200000000 ] - [ -0.0000813900000000, -0.0003059100000000, -0.0000017700000000 ] - [ -0.0000295400000000, -0.0003218600000000, 0.0005047200000000 ] - [ -0.0006174400000000, -0.0018160600000000, -0.0000118600000000 ] - [ -0.0004605400000000, -0.0004760800000000, 0.0003813400000000 ] - [ 0.0005147500000000, 0.0014776500000000, -0.0016426600000000 ] - [ 0.0007029800000000, 0.0004652000000000, -0.0002223600000000 ] - [ -0.0006823800000000, -0.0000924100000000, -0.0006854600000000 ] - [ -0.0002346600000000, -0.0000263800000000, -0.0005216900000000 ] - [ -0.0003061500000000, -0.0000889000000000, 0.0002601900000000 ] - [ -0.0003200200000000, -0.0001179400000000, 0.0003479400000000 ] - [ 0.0002120900000000, -0.0000225400000000, -0.0003923400000000 ] - [ 0.0003005300000000, 0.0001587800000000, 0.0005377900000000 ] - [ 0.0005495400000000, -0.0000358000000000, -0.0005723700000000 ] - [ 0.0043191200000000, -0.0010687600000000, -0.0019358200000000 ] - [ 0.0006567700000000, -0.0006538800000000, -0.0001523600000000 ] - [ 0.0008213000000000, -0.0001647500000000, -0.0001529900000000 ] - [ -0.0002124100000000, 0.0002305000000000, -0.0001566700000000 ] - [ -0.0002951100000000, 0.0001693800000000, 0.0005976600000000 ] - [ 0.0009737800000000, 0.0028470800000000, 0.0013614200000000 ] - [ -0.0002123900000000, 0.0002041400000000, -0.0005319000000000 ] - [ -0.0002138100000000, -0.0003866700000000, -0.0005883800000000 ] - [ 0.0002514700000000, -0.0000528200000000, -0.0006977800000000 ] - [ 0.0002665400000000, 0.0001188400000000, -0.0009254000000000 ] - [ -0.0001519900000000, 0.0004735100000000, -0.0002066400000000 ] - [ -0.0000415100000000, -0.0001124800000000, -0.0009712800000000 ] - [ 0.0004885900000000, 0.0000103400000000, -0.0002054300000000 ] - [ -0.0005835500000000, -0.0003900400000000, -0.0004545400000000 ] - [ 0.0006816800000000, -0.0004021100000000, 0.0000739000000000 ] - [ -0.0005869900000000, 0.0022856700000000, -0.0025501400000000 ] - [ -0.0004420600000000, -0.0003203000000000, -0.0001662900000000 ] - [ 0.0003509700000000, 0.0002063500000000, -0.0003588000000000 ] - [ 0.0002413200000000, 0.0002484200000000, -0.0004313700000000 ] - [ -0.0001525700000000, 0.0002707900000000, -0.0004832300000000 ] - [ -0.0011296100000000, -0.0006175100000000, 0.0005477400000000 ] - [ 0.0000438700000000, 0.0003581800000000, 0.0003799100000000 ] - [ -0.0003490200000000, 0.0001321600000000, -0.0001427400000000 ] - [ -0.0007377800000000, -0.0001596100000000, 0.0000544000000000 ] - [ -0.0004512800000000, -0.0006379700000000, 0.0001692900000000 ] - [ 0.0001432000000000, 0.0002250300000000, 0.0003067800000000 ] - [ -0.0002373100000000, 0.0003919000000000, 0.0000338800000000 ] - [ 0.0002262700000000, -0.0000822100000000, 0.0003914000000000 ] - [ 0.0006069500000000, 0.0000539800000000, -0.0003126500000000 ] - [ 0.0001772300000000, 0.0006504600000000, 0.0000907400000000 ] - [ -0.0000056000000000, 0.0005777700000000, 0.0002409000000000 ] - [ 0.0003449100000000, 0.0001313200000000, -0.0000956900000000 ] - [ 0.0001632100000000, 0.0002051400000000, -0.0003713000000000 ] - [ -0.0003041400000000, -0.0002918800000000, 0.0002985700000000 ] - [ -0.0001544800000000, -0.0001555200000000, 0.0002623300000000 ] - [ -0.0006679100000000, -0.0005549600000000, 0.0007631100000000 ] - [ -0.0002088800000000, -0.0006902600000000, -0.0001411100000000 ] - [ 0.0002426200000000, 0.0010482900000000, 0.0001411100000000 ] - [ 0.0001337900000000, -0.0005165600000000, 0.0006320100000000 ] - [ 0.0004877100000000, 0.0001179100000000, -0.0001359800000000 ] - [ -0.0005784500000000, 0.0009496600000000, 0.0001479500000000 ] - [ -0.0001514800000000, 0.0003522300000000, -0.0004044200000000 ] - [ -0.0001108000000000, 0.0002825200000000, -0.0001273300000000 ] - [ 0.0007902000000000, 0.0001964000000000, 0.0005643700000000 ] - [ 0.0006992200000000, 0.0002201500000000, -0.0001816100000000 ] - [ -0.0002745800000000, -0.0000385000000000, -0.0000118700000000 ] - [ -0.0005980300000000, -0.0002968100000000, 0.0001809100000000 ] - [ -0.0003167900000000, 0.0001911700000000, 0.0003767800000000 ] - [ 0.0000102400000000, -0.0003651700000000, -0.0000956000000000 ] - [ -0.0004382900000000, 0.0001591300000000, -0.0000895100000000 ] - [ -0.0003212200000000, -0.0000002100000000, -0.0004228400000000 ] - [ -0.0001891800000000, -0.0004234700000000, 0.0016888300000000 ] - [ 0.0002379000000000, 0.0002367300000000, 0.0001190600000000 ] - [ 0.0008312400000000, -0.0004751800000000, -0.0000893800000000 ] - [ -0.0017992400000000, -0.0010724800000000, 0.0009121900000000 ] - [ 0.0012826200000000, 0.0006911700000000, 0.0004634300000000 ] - [ 0.0007956700000000, 0.0001599000000000, 0.0000920900000000 ] - [ 0.0003584700000000, -0.0011281600000000, 0.0000968300000000 ] - [ 0.0002008100000000, -0.0002947200000000, -0.0004535800000000 ] - [ 0.0006029600000000, 0.0000432000000000, -0.0003983200000000 ] - [ 0.0000380600000000, -0.0000706500000000, -0.0001480900000000 ] - [ -0.0003903000000000, -0.0022213000000000, 0.0006735600000000 ] - [ 0.0004460000000000, 0.0000972200000000, -0.0000542500000000 ] - [ 0.0005355600000000, -0.0007536300000000, -0.0001677400000000 ] - [ 0.0005596400000000, 0.0000216400000000, 0.0001967400000000 ] - [ -0.0003202200000000, -0.0003247300000000, -0.0003926200000000 ] - [ 0.0004381300000000, 0.0002054400000000, -0.0002365300000000 ] - [ -0.0000944700000000, -0.0000713200000000, 0.0007838700000000 ] - [ -0.0003789100000000, 0.0000261000000000, 0.0001335300000000 ] - [ 0.0000870300000000, -0.0001760900000000, 0.0008110700000000 ] - [ 0.0001501200000000, -0.0003829200000000, 0.0001183400000000 ] - [ -0.0004200100000000, 0.0004718400000000, 0.0004443400000000 ] - [ -0.0005224400000000, 0.0005053000000000, -0.0000948900000000 ] - [ -0.0015046000000000, 0.0023959100000000, 0.0003167400000000 ] - [ -0.0005582600000000, 0.0007497400000000, 0.0000148900000000 ] - [ 0.0023000000000000, -0.0015863700000000, -0.0030541000000000 ] - [ -0.0000586300000000, -0.0008225100000000, -0.0001533300000000 ] - [ -0.0010713400000000, -0.0002419900000000, -0.0000800500000000 ] - [ -0.2092744400000000, -0.0599366400000000, 0.3019926500000000 ] - [ -0.0000105800000000, -0.0002633600000000, -0.0000052400000000 ] - [ 0.0028203600000000, -0.0010451800000000, -0.0002905500000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005112500000000, 0.0004174900000000, 0.0001307700000000 ] - [ 0.0001625700000000, 0.0002168900000000, 0.0001984600000000 ] - [ -0.0004943200000000, 0.0001966000000000, 0.0000997100000000 ] - [ -0.0003604400000000, 0.0000315200000000, 0.0002447200000000 ] - [ -0.0001089600000000, -0.0007256700000000, -0.0001214600000000 ] - [ 0.0002450400000000, -0.0004387100000000, -0.0000514700000000 ] - [ -0.0006847500000000, -0.0003558400000000, 0.0006791900000000 ] - [ -0.0004197800000000, -0.0003498000000000, -0.0000279500000000 ] - [ -0.0001913100000000, 0.0004866200000000, 0.0004089400000000 ] - [ -0.0001241000000000, 0.0004997700000000, 0.0000642900000000 ] - [ 0.0010843800000000, -0.0006824800000000, 0.0008325500000000 ] - [ 0.0004679400000000, -0.0001132300000000, -0.0000767300000000 ] - [ 0.0001629900000000, -0.0003709700000000, 0.0006192500000000 ] - [ -0.0000362900000000, -0.0001693600000000, -0.0008839300000000 ] - [ 0.0000413100000000, -0.0000689700000000, -0.0001473600000000 ] - [ 0.0000275700000000, 0.0002530600000000, -0.0008543000000000 ] - [ 0.0003755500000000, 0.0000705900000000, 0.0002038400000000 ] - [ 0.0003160500000000, 0.0006707900000000, 0.0003071200000000 ] - [ -0.2167085000000000, -0.0655422600000000, 0.3118692900000000 ] - [ -0.0006934200000000, 0.0003359400000000, -0.0005420700000000 ] - [ 0.0003635600000000, 0.0005847600000000, -0.0002579400000000 ] - [ 0.0002416800000000, -0.0004489000000000, -0.0007824900000000 ] - [ -0.0000489600000000, -0.0003289200000000, 0.0002933000000000 ] - [ 0.0001608500000000, -0.0009670700000000, 0.0002453700000000 ] - [ 0.0000939200000000, 0.0003876000000000, 0.0004591400000000 ] - [ -0.0000165200000000, 0.0004252800000000, 0.0002689000000000 ] - [ -0.0003204000000000, 0.0001897000000000, 0.0003140400000000 ] - [ -0.0004834000000000, 0.0001472900000000, 0.0003526200000000 ] - [ -0.0005937400000000, -0.0000998600000000, 0.0006387600000000 ] - [ 0.0003165000000000, -0.0001992600000000, 0.0002983700000000 ] - [ 0.0000975500000000, 0.0001682400000000, 0.0000929000000000 ] - [ 0.0000661800000000, 0.0003500900000000, 0.0000817000000000 ] - [ 0.0002254700000000, -0.0002100500000000, 0.0002808800000000 ] - [ 0.0002525100000000, -0.0002177600000000, 0.0001405500000000 ] - [ -0.0004649000000000, 0.0011818900000000, -0.0010999600000000 ] - [ 0.0002253600000000, 0.0012162400000000, -0.0006992700000000 ] - [ -0.0000987300000000, 0.0003267900000000, -0.0008706000000000 ] - [ -0.0016521100000000, 0.0010285900000000, -0.0000976000000000 ] - [ -0.0001856700000000, -0.0001124500000000, 0.0004395800000000 ] - [ -0.0003427900000000, -0.0002162800000000, 0.0002975100000000 ] - [ -0.0005545200000000, -0.0011181200000000, 0.0009197500000000 ] - [ 0.0000375300000000, -0.0007894200000000, -0.0004967200000000 ] - [ -0.0000283400000000, -0.0003563100000000, 0.0005643000000000 ] - [ -0.0000795400000000, -0.0003400900000000, 0.0000621400000000 ] - [ -0.0007430100000000, 0.0008014200000000, -0.0006980600000000 ] - [ -0.0009126000000000, -0.0005048900000000, -0.0011072400000000 ] - [ 0.0008523000000000, -0.0004803700000000, 0.0009212000000000 ] - [ 0.0006654400000000, 0.0005135600000000, -0.0004964600000000 ] - [ -0.0000876900000000, 0.0000622500000000, -0.0005724600000000 ] - [ -0.0005329900000000, -0.0000018100000000, -0.0007351200000000 ] - [ -0.0003204800000000, -0.0001495100000000, 0.0003046800000000 ] - [ -0.0003067900000000, -0.0001207900000000, 0.0002188700000000 ] - [ 0.0004112300000000, 0.0002589800000000, 0.0009538300000000 ] - [ 0.0003260000000000, 0.0000801200000000, 0.0000307600000000 ] - [ 0.0002201000000000, 0.0000625700000000, -0.0006847800000000 ] - [ -0.0038069600000000, 0.0011050900000000, 0.0008295000000000 ] - [ 0.0008742000000000, -0.0000466800000000, -0.0005661900000000 ] - [ 0.0007106600000000, -0.0005331200000000, -0.0005667100000000 ] - [ -0.0003077700000000, 0.0001959600000000, 0.0007166600000000 ] - [ -0.0002255900000000, 0.0002561700000000, -0.0000301900000000 ] - [ -0.0005892000000000, -0.0021170700000000, -0.0025983600000000 ] - [ 0.0005796300000000, 0.0004764200000000, -0.0007236600000000 ] - [ -0.0001470300000000, -0.0002921200000000, -0.0006682300000000 ] - [ -0.0006102800000000, -0.0006237200000000, -0.0005603300000000 ] - [ -0.0002269300000000, 0.0004670600000000, -0.0000932500000000 ] - [ 0.0001864400000000, 0.0001157800000000, -0.0008044300000000 ] - [ 0.0005360000000000, -0.0002126900000000, -0.0000426900000000 ] - [ 0.0000111000000000, -0.0003324000000000, -0.0008016400000000 ] - [ 0.0005372600000000, -0.0001972500000000, -0.0005604700000000 ] - [ -0.0007129800000000, -0.0001847400000000, -0.0010856700000000 ] - [ 0.0000716000000000, -0.0025470800000000, 0.0015091100000000 ] - [ -0.0000748700000000, 0.0000440600000000, -0.0008415200000000 ] - [ 0.0001666300000000, 0.0000625400000000, -0.0006544900000000 ] - [ 0.0002750000000000, 0.0000195600000000, -0.0005832500000000 ] - [ -0.0003456200000000, 0.0000518500000000, -0.0005263300000000 ] - [ 0.0006204600000000, 0.0009374300000000, -0.0015507100000000 ] - [ -0.0004097300000000, 0.0001774900000000, -0.0001449200000000 ] - [ -0.0000206200000000, 0.0003997800000000, 0.0003731600000000 ] - [ -0.0005747800000000, -0.0002429100000000, 0.0002714400000000 ] - [ -0.0008591400000000, 0.0002320300000000, 0.0001567300000000 ] - [ -0.0003082000000000, 0.0002599500000000, 0.0004654900000000 ] - [ 0.0000668400000000, 0.0000956400000000, 0.0007357200000000 ] - [ 0.0002849000000000, -0.0000168800000000, 0.0003776100000000 ] - [ -0.0000905600000000, -0.0001531100000000, 0.0010747100000000 ] - [ 0.0001228800000000, 0.0006945100000000, 0.0002348600000000 ] - [ 0.0003050400000000, 0.0007677100000000, 0.0000847100000000 ] - [ 0.0001516800000000, 0.0004016600000000, -0.0003885100000000 ] - [ 0.0003321000000000, 0.0003267500000000, -0.0001161200000000 ] - [ -0.0000239000000000, -0.0000961500000000, 0.0004712900000000 ] - [ -0.0001713400000000, -0.0002302500000000, 0.0005060900000000 ] - [ 0.0003699400000000, -0.0007857700000000, -0.0004293400000000 ] - [ -0.0000890700000000, -0.0006542400000000, 0.0004628900000000 ] - [ 0.0002422500000000, 0.0008052100000000, 0.0005257500000000 ] - [ 0.0003503700000000, 0.0023681200000000, 0.0000355800000000 ] - [ -0.0001968600000000, 0.0004672300000000, 0.0003658900000000 ] - [ 0.0008573000000000, -0.0003605300000000, 0.0000829900000000 ] - [ -0.0000567100000000, 0.0003425500000000, -0.0000818500000000 ] - [ -0.0000973800000000, 0.0004123700000000, -0.0003565100000000 ] - [ 0.0005254700000000, 0.0002055500000000, -0.0002338900000000 ] - [ 0.0006143600000000, 0.0001820200000000, 0.0005043800000000 ] - [ -0.0003665800000000, -0.0000109000000000, 0.0002423200000000 ] - [ -0.0000446300000000, 0.0002462400000000, 0.0000508300000000 ] - [ 0.0000301600000000, -0.0007749900000000, -0.0001400100000000 ] - [ -0.0002933000000000, -0.0002245700000000, 0.0003275800000000 ] - [ -0.0002645600000000, 0.0000075700000000, -0.0003954600000000 ] - [ -0.0003799700000000, 0.0001652700000000, -0.0000661300000000 ] - [ 0.0005127200000000, 0.0008108400000000, -0.0009022900000000 ] - [ 0.0000917600000000, 0.0001551000000000, 0.0006456200000000 ] - [ 0.0005291700000000, -0.0008686600000000, 0.0007522800000000 ] - [ 0.0031594800000000, -0.0002747100000000, -0.0002524900000000 ] - [ 0.0005583300000000, -0.0001994900000000, 0.0001996900000000 ] - [ 0.0010428900000000, 0.0003275400000000, 0.0005668100000000 ] - [ -0.0001534700000000, 0.0004270600000000, -0.0005786000000000 ] - [ 0.0000060900000000, -0.0003994700000000, -0.0000374800000000 ] - [ 0.0001021600000000, -0.0002081100000000, -0.0000893900000000 ] - [ 0.0006604000000000, -0.0000966800000000, -0.0003368600000000 ] - [ 0.0010212800000000, 0.0022557100000000, -0.0004245100000000 ] - [ 0.0001933200000000, -0.0000421800000000, 0.0002766900000000 ] - [ 0.0004699400000000, -0.0001818400000000, 0.0004928200000000 ] - [ 0.0004443400000000, -0.0009467000000000, 0.0001266600000000 ] - [ -0.0001763500000000, -0.0002085000000000, -0.0000962000000000 ] - [ -0.0009278200000000, -0.0007376600000000, -0.0002507000000000 ] - [ -0.0004129100000000, 0.0001701700000000, -0.0000124200000000 ] - [ -0.0001315000000000, 0.0000727900000000, 0.0006327500000000 ] - [ 0.0000812100000000, -0.0003096000000000, -0.0000353000000000 ] - [ 0.0000197900000000, -0.0001050000000000, 0.0006508100000000 ] - [ -0.0005851900000000, 0.0004595700000000, -0.0001156800000000 ] - [ -0.0004844400000000, 0.0004262600000000, 0.0004184400000000 ] - [ 0.0001393100000000, -0.0010295700000000, 0.0003602900000000 ] - [ -0.0008007500000000, 0.0005896500000000, 0.0006444700000000 ] - [ -0.0027338300000000, -0.0002766300000000, 0.0036569200000000 ] - [ -0.0004280800000000, -0.0010302300000000, 0.0008213800000000 ] - [ -0.0007714900000000, -0.0002438900000000, 0.0007363800000000 ] - [ 0.2227642000000000, 0.0640710900000000, -0.3159318300000000 ] - [ 0.0003780500000000, -0.0002678000000000, 0.0002350100000000 ] - [ -0.0024520400000000, 0.0005230500000000, 0.0005190100000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006651500000000, 0.0003518900000000, 0.0001864500000000 ] - [ 0.0005200600000000, 0.0003711800000000, 0.0002224200000000 ] - [ -0.0013673900000000, -0.0000058200000000, 0.0007467500000000 ] - [ -0.0008175200000000, 0.0003202500000000, 0.0000127400000000 ] - [ 0.0001686200000000, -0.0005906800000000, 0.0001827000000000 ] - [ 0.0001445700000000, -0.0006049600000000, 0.0002320300000000 ] - [ 0.0011939600000000, 0.0027382600000000, -0.0008924600000000 ] - [ -0.0004467400000000, -0.0002948300000000, 0.0003080300000000 ] - [ 0.0002547300000000, 0.0010635200000000, 0.0003739000000000 ] - [ 0.0000019300000000, 0.0005965200000000, 0.0001852100000000 ] - [ 0.0005439000000000, -0.0005059100000000, 0.0002255700000000 ] - [ 0.0004910800000000, -0.0002312600000000, 0.0002276100000000 ] - [ 0.0015244300000000, -0.0003350300000000, -0.0013734300000000 ] - [ 0.0005922900000000, -0.0003738200000000, 0.0003164500000000 ] - [ -0.0003377800000000, 0.0000723100000000, -0.0002982600000000 ] - [ -0.0000754600000000, 0.0001229600000000, -0.0003074300000000 ] - [ 0.0002496000000000, 0.0000827500000000, 0.0003899800000000 ] - [ 0.0002764800000000, 0.0000720200000000, 0.0003421400000000 ] - [ -0.0007626600000000, 0.0002522800000000, -0.0005216900000000 ] - [ -0.0007916900000000, 0.0002600600000000, -0.0003985700000000 ] - [ -0.0322292100000000, -0.0042006200000000, 0.0162455700000000 ] - [ 0.0001156000000000, -0.0002379300000000, -0.0006218600000000 ] - [ 0.0002040900000000, 0.0003719700000000, 0.0009874900000000 ] - [ -0.0000330700000000, -0.0001497900000000, 0.0002491500000000 ] - [ 0.0000662200000000, 0.0002205700000000, 0.0003786400000000 ] - [ 0.0000112200000000, 0.0003812900000000, 0.0003441600000000 ] - [ -0.0000216000000000, 0.0001637200000000, 0.0003643400000000 ] - [ -0.0000785900000000, 0.0001346800000000, 0.0004303300000000 ] - [ 0.0004503900000000, -0.0005003000000000, 0.0003655200000000 ] - [ 0.0003437200000000, -0.0001867900000000, 0.0003494600000000 ] - [ 0.0001404600000000, 0.0002217000000000, 0.0003171000000000 ] - [ 0.0000711300000000, 0.0003358900000000, 0.0002055900000000 ] - [ 0.0014262800000000, -0.0006455200000000, 0.0014049100000000 ] - [ 0.0002341600000000, -0.0002385200000000, 0.0001633700000000 ] - [ 0.0005958600000000, -0.0172449300000000, 0.0008333400000000 ] - [ -0.0001062300000000, 0.0007858000000000, -0.0003203800000000 ] - [ -0.0001831000000000, 0.0001034500000000, -0.0005974600000000 ] - [ -0.0001831300000000, 0.0000920100000000, -0.0006387900000000 ] - [ -0.0028435600000000, -0.0011723300000000, -0.0001771600000000 ] - [ -0.0004088000000000, -0.0002018200000000, 0.0003200400000000 ] - [ 0.0002382900000000, -0.0010673000000000, -0.0001466900000000 ] - [ 0.0001517600000000, -0.0008819200000000, -0.0004243200000000 ] - [ -0.0001008200000000, -0.0002571800000000, 0.0000577600000000 ] - [ -0.0000814600000000, -0.0002887100000000, 0.0002239700000000 ] - [ -0.0007986100000000, -0.0007829300000000, -0.0003904500000000 ] - [ -0.0006767900000000, -0.0005345300000000, -0.0003363200000000 ] - [ 0.0007172300000000, 0.0002088500000000, 0.0013980800000000 ] - [ 0.0004862800000000, 0.0002254900000000, -0.0002810800000000 ] - [ 0.0006847500000000, -0.0008719500000000, -0.0005919800000000 ] - [ -0.0002400400000000, -0.0000628900000000, -0.0006181300000000 ] - [ -0.0001365000000000, -0.0000975400000000, 0.0002948400000000 ] - [ -0.0003133700000000, -0.0001218100000000, 0.0002663500000000 ] - [ 0.0002762700000000, 0.0001080400000000, 0.0004162800000000 ] - [ 0.0003097600000000, 0.0001526700000000, 0.0003418200000000 ] - [ 0.0001275400000000, 0.0000924000000000, -0.0006733600000000 ] - [ 0.0002390000000000, 0.0000189100000000, -0.0004945100000000 ] - [ 0.0030431500000000, -0.0004977400000000, -0.0017993000000000 ] - [ 0.0008155500000000, -0.0003690700000000, -0.0002549300000000 ] - [ -0.0002624600000000, 0.0001951500000000, 0.0002760200000000 ] - [ -0.0002512600000000, 0.0002106400000000, 0.0003289700000000 ] - [ 0.0000843000000000, 0.0005231700000000, -0.0006074500000000 ] - [ 0.0001404300000000, 0.0002819500000000, -0.0006233500000000 ] - [ 0.0001330700000000, -0.0000805000000000, -0.0007449800000000 ] - [ 0.0002440300000000, -0.0000272800000000, -0.0004488200000000 ] - [ 0.0003321400000000, -0.0089904400000000, -0.0043163700000000 ] - [ -0.0004417200000000, 0.0003560400000000, -0.0002537600000000 ] - [ 0.0011550800000000, 0.0004321700000000, 0.0002352000000000 ] - [ 0.0004588100000000, -0.0000684500000000, -0.0003259500000000 ] - [ 0.0000344000000000, -0.0005453500000000, -0.0002353900000000 ] - [ -0.0001009900000000, -0.0003798900000000, -0.0005271400000000 ] - [ 0.0003147300000000, -0.0005489700000000, -0.0004638900000000 ] - [ -0.0001027000000000, -0.0002711800000000, -0.0004808200000000 ] - [ 0.0000802200000000, 0.0006799600000000, -0.0003700600000000 ] - [ 0.0000410200000000, 0.0005683600000000, -0.0002902800000000 ] - [ -0.0001858900000000, 0.0009090600000000, -0.0007639800000000 ] - [ -0.0002285500000000, 0.0003123800000000, -0.0004805900000000 ] - [ -0.0012472900000000, 0.0001710300000000, -0.0002480700000000 ] - [ -0.0003757500000000, 0.0001792800000000, 0.0000218400000000 ] - [ -0.0015038300000000, -0.0001693700000000, -0.0011571800000000 ] - [ -0.0006099100000000, -0.0003494100000000, 0.0004518700000000 ] - [ -0.0000467000000000, 0.0005339300000000, 0.0001543800000000 ] - [ -0.0000369500000000, 0.0002853300000000, 0.0003951800000000 ] - [ 0.0001933500000000, -0.0003998400000000, 0.0004360900000000 ] - [ 0.0002778800000000, -0.0001060300000000, 0.0003560200000000 ] - [ -0.0002707100000000, 0.0006611300000000, 0.0001503400000000 ] - [ -0.0001773400000000, 0.0006100700000000, 0.0002661900000000 ] - [ -0.0002995100000000, 0.0000392200000000, -0.0003536800000000 ] - [ 0.0001292300000000, 0.0002311700000000, -0.0002926500000000 ] - [ -0.0001507700000000, -0.0004136100000000, 0.0003134800000000 ] - [ -0.0001686400000000, -0.0003403200000000, 0.0002619300000000 ] - [ 0.0001200400000000, -0.0002961200000000, 0.0000855400000000 ] - [ -0.0001602700000000, -0.0007076600000000, 0.0001118500000000 ] - [ 0.0005441600000000, 0.0009070200000000, 0.0012871300000000 ] - [ 0.0001979500000000, 0.0007091800000000, -0.0003592400000000 ] - [ 0.0000675100000000, 0.0004990300000000, 0.0000084800000000 ] - [ 0.0001763200000000, 0.0005093100000000, 0.0001825900000000 ] - [ 0.0000564600000000, 0.0001311600000000, -0.0002757500000000 ] - [ 0.0000447700000000, 0.0001678900000000, -0.0001507300000000 ] - [ 0.0006364900000000, 0.0003376700000000, 0.0001515600000000 ] - [ 0.0006498300000000, 0.0001956600000000, 0.0001273900000000 ] - [ -0.0005289400000000, -0.0004650700000000, 0.0000922100000000 ] - [ -0.0004817900000000, -0.0004150600000000, -0.0001113000000000 ] - [ 0.0091488200000000, 0.0055672200000000, 0.0008153500000000 ] - [ 0.0001967700000000, -0.0003999200000000, 0.0000305400000000 ] - [ -0.0012994700000000, 0.0031301600000000, 0.0005850500000000 ] - [ -0.0001964800000000, 0.0001308100000000, -0.0002689600000000 ] - [ -0.0001200800000000, 0.0003018300000000, 0.0003908100000000 ] - [ 0.0000405700000000, 0.0002405200000000, 0.0003706700000000 ] - [ 0.0005278000000000, -0.0004236900000000, 0.0004508800000000 ] - [ 0.0005402500000000, -0.0004171600000000, 0.0002394800000000 ] - [ -0.0015203100000000, 0.0008186500000000, 0.0005221600000000 ] - [ 0.0007776500000000, 0.0002748800000000, 0.0003255600000000 ] - [ -0.0004072700000000, 0.0000316300000000, -0.0002340900000000 ] - [ 0.0000139100000000, -0.0002312500000000, -0.0002408200000000 ] - [ 0.0004259300000000, 0.0000344200000000, -0.0003406500000000 ] - [ 0.0003953400000000, -0.0000384700000000, -0.0002423700000000 ] - [ 0.0000630400000000, 0.0004174400000000, -0.0000281300000000 ] - [ 0.0002850900000000, 0.0001359700000000, 0.0000753300000000 ] - [ 0.0004296000000000, -0.0002668200000000, 0.0000785800000000 ] - [ 0.0004936300000000, -0.0002814300000000, 0.0003052600000000 ] - [ -0.0001595000000000, -0.0007435600000000, -0.0002254500000000 ] - [ -0.0002326000000000, -0.0003928500000000, -0.0003245400000000 ] - [ -0.0008839300000000, -0.0001163600000000, 0.0000859900000000 ] - [ -0.0004309800000000, 0.0000122000000000, 0.0002204500000000 ] - [ 0.0003975600000000, 0.0009222600000000, 0.0013571800000000 ] - [ 0.0002303600000000, -0.0002280400000000, 0.0001463100000000 ] - [ 0.0010662800000000, 0.0013349900000000, 0.0005531900000000 ] - [ -0.0004360300000000, 0.0004113100000000, 0.0002223600000000 ] - [ 0.0195667500000000, 0.0201638200000000, -0.0163234900000000 ] - [ -0.0005572800000000, 0.0006777400000000, 0.0003433400000000 ] - [ 0.0002472900000000, -0.0009127400000000, 0.0003747000000000 ] - [ -0.0002323400000000, -0.0008339700000000, 0.0003363600000000 ] - [ -0.0007581000000000, -0.0001446400000000, 0.0003357000000000 ] - [ -0.0008621800000000, -0.0001363300000000, 0.0003589900000000 ] - [ 0.0001331200000000, -0.0009446300000000, 0.0000087600000000 ] - [ 0.0002951800000000, -0.0005234500000000, 0.0001311800000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001416800000000, 0.0003365600000000, 0.0002496800000000 ] - [ 0.0002844300000000, 0.0003162500000000, 0.0002096000000000 ] - [ 0.0003733600000000, 0.0003667400000000, -0.0003290600000000 ] - [ -0.0001718700000000, 0.0000266200000000, 0.0004226600000000 ] - [ 0.0000213200000000, -0.0004869200000000, 0.0002615400000000 ] - [ 0.0000457800000000, -0.0004709200000000, 0.0002143600000000 ] - [ -0.0019720800000000, -0.0033904300000000, 0.0013001100000000 ] - [ -0.0003616400000000, -0.0003914900000000, 0.0001256100000000 ] - [ -0.0004481700000000, 0.0000037800000000, 0.0000695300000000 ] - [ -0.0001926700000000, 0.0004780700000000, 0.0002603900000000 ] - [ 0.0004462300000000, 0.0001644100000000, 0.0002055500000000 ] - [ 0.0005004400000000, -0.0001148800000000, 0.0002033700000000 ] - [ -0.0015242100000000, 0.0003216800000000, 0.0007283700000000 ] - [ -0.0005899300000000, 0.0003678000000000, -0.0009486900000000 ] - [ 0.0003371000000000, -0.0000651000000000, -0.0003383300000000 ] - [ 0.0000739600000000, -0.0001197200000000, -0.0003284100000000 ] - [ 0.0004043000000000, 0.0003148700000000, 0.0003023100000000 ] - [ 0.0003775900000000, 0.0003263500000000, 0.0003506400000000 ] - [ -0.0007630200000000, 0.0004445900000000, -0.0001950100000000 ] - [ -0.0007382500000000, 0.0004366200000000, -0.0003210600000000 ] - [ 0.0328687700000000, 0.0071815200000000, -0.0179865400000000 ] - [ 0.0002903600000000, -0.0004121000000000, -0.0006352100000000 ] - [ -0.0001889100000000, -0.0011353800000000, -0.0002896800000000 ] - [ 0.0000499400000000, -0.0006167700000000, 0.0004420300000000 ] - [ -0.0000847100000000, 0.0005503400000000, 0.0003126300000000 ] - [ -0.0000291700000000, 0.0003851300000000, 0.0003481900000000 ] - [ -0.0006491400000000, 0.0002026300000000, 0.0003285000000000 ] - [ -0.0005929600000000, 0.0002322700000000, 0.0002610700000000 ] - [ 0.0002162100000000, 0.0001286600000000, 0.0003274800000000 ] - [ 0.0003272300000000, -0.0001811800000000, 0.0003421500000000 ] - [ -0.0000315200000000, 0.0004395900000000, 0.0002472900000000 ] - [ 0.0000378100000000, 0.0003260600000000, 0.0003595700000000 ] - [ -0.0008974500000000, 0.0002092500000000, -0.0008257400000000 ] - [ 0.0002858000000000, -0.0001875500000000, 0.0004000000000000 ] - [ -0.0005191000000000, 0.0189945200000000, -0.0013448500000000 ] - [ -0.0000572200000000, 0.0008881900000000, -0.0003993900000000 ] - [ -0.0002229200000000, 0.0005481500000000, -0.0006597500000000 ] - [ -0.0002229400000000, 0.0005603400000000, -0.0006182500000000 ] - [ 0.0022084900000000, 0.0007798600000000, 0.0008710500000000 ] - [ -0.0002452900000000, -0.0001956100000000, 0.0003721500000000 ] - [ -0.0000754800000000, -0.0006042900000000, -0.0005774200000000 ] - [ 0.0000123700000000, -0.0007922600000000, -0.0002959400000000 ] - [ -0.0000074000000000, -0.0004046000000000, 0.0005078200000000 ] - [ -0.0000275000000000, -0.0003731200000000, 0.0003408600000000 ] - [ -0.0005685700000000, -0.0001909800000000, -0.0003264200000000 ] - [ -0.0006902400000000, -0.0004442100000000, -0.0003843100000000 ] - [ 0.0006677700000000, 0.0007665000000000, -0.0021185100000000 ] - [ 0.0008805200000000, 0.0007561100000000, -0.0004408500000000 ] - [ -0.0014638400000000, 0.0008559200000000, -0.0006656100000000 ] - [ -0.0005262900000000, 0.0000347400000000, -0.0006392300000000 ] - [ -0.0004905200000000, -0.0001419700000000, 0.0002726800000000 ] - [ -0.0003135400000000, -0.0001165100000000, 0.0002983500000000 ] - [ 0.0003497100000000, 0.0001305700000000, 0.0001493700000000 ] - [ 0.0003166200000000, 0.0000857300000000, 0.0002240500000000 ] - [ 0.0006337700000000, -0.0000653700000000, -0.0005880300000000 ] - [ 0.0005239600000000, 0.0000097300000000, -0.0007585500000000 ] - [ -0.0015367800000000, -0.0001988600000000, 0.0011063500000000 ] - [ 0.0007164000000000, -0.0003274800000000, -0.0004650900000000 ] - [ -0.0002574500000000, 0.0002315400000000, 0.0002866300000000 ] - [ -0.0002687700000000, 0.0002156500000000, 0.0002346100000000 ] - [ 0.0002842700000000, 0.0001513200000000, -0.0006494100000000 ] - [ 0.0002197000000000, 0.0003953600000000, -0.0006335000000000 ] - [ -0.0004900300000000, -0.0005955700000000, -0.0005067700000000 ] - [ -0.0006023200000000, -0.0006504000000000, -0.0008112900000000 ] - [ -0.0004859300000000, 0.0094794200000000, 0.0033151200000000 ] - [ 0.0004748600000000, 0.0002299300000000, -0.0007607600000000 ] - [ -0.0006573100000000, -0.0007587600000000, -0.0012458600000000 ] - [ 0.0000410300000000, -0.0002526900000000, -0.0006814800000000 ] - [ -0.0000693500000000, -0.0000371200000000, -0.0007828300000000 ] - [ 0.0000674500000000, -0.0002050400000000, -0.0004874600000000 ] - [ -0.0008291200000000, 0.0002711400000000, -0.0005424400000000 ] - [ -0.0004155800000000, 0.0000003800000000, -0.0005315600000000 ] - [ 0.0004415300000000, -0.0004132700000000, -0.0006412100000000 ] - [ 0.0004792700000000, -0.0003013100000000, -0.0007230400000000 ] - [ -0.0003240800000000, -0.0005819400000000, -0.0002329700000000 ] - [ -0.0002702400000000, 0.0000110900000000, -0.0005283700000000 ] - [ 0.0008862100000000, 0.0003584800000000, 0.0004815900000000 ] - [ 0.0000047000000000, 0.0003524600000000, 0.0002101700000000 ] - [ 0.0001946300000000, -0.0002305500000000, 0.0014748200000000 ] - [ -0.0006997000000000, -0.0000519300000000, -0.0001246700000000 ] - [ -0.0001228200000000, -0.0000528000000000, 0.0006213700000000 ] - [ -0.0001327400000000, 0.0002005100000000, 0.0003774700000000 ] - [ 0.0003178500000000, 0.0002941000000000, 0.0003218100000000 ] - [ 0.0002330400000000, 0.0000065200000000, 0.0004117800000000 ] - [ 0.0005698900000000, 0.0006851600000000, 0.0001731100000000 ] - [ 0.0004761700000000, 0.0007351100000000, 0.0000612200000000 ] - [ 0.0007968700000000, 0.0004951200000000, -0.0001322000000000 ] - [ 0.0003661000000000, 0.0002995100000000, -0.0001934900000000 ] - [ -0.0001785100000000, 0.0000266100000000, 0.0004541800000000 ] - [ -0.0001600200000000, -0.0000471000000000, 0.0005072800000000 ] - [ -0.0004147600000000, -0.0010495000000000, 0.0002403800000000 ] - [ -0.0001382800000000, -0.0006369500000000, 0.0002139600000000 ] - [ -0.0000718600000000, 0.0009392400000000, -0.0006184000000000 ] - [ 0.0002778900000000, 0.0011433900000000, 0.0010277000000000 ] - [ 0.0002176700000000, 0.0000890300000000, 0.0002253700000000 ] - [ 0.0001075300000000, 0.0000785200000000, 0.0000498400000000 ] - [ -0.0002685400000000, 0.0005628500000000, -0.0002094900000000 ] - [ -0.0002554900000000, 0.0005269300000000, -0.0003352300000000 ] - [ 0.0006753100000000, 0.0000604600000000, 0.0001764300000000 ] - [ 0.0006615800000000, 0.0002063000000000, 0.0001997700000000 ] - [ -0.0001161800000000, 0.0004160800000000, 0.0001373800000000 ] - [ -0.0001623200000000, 0.0003658400000000, 0.0003441700000000 ] - [ -0.0093089900000000, -0.0062464100000000, -0.0005942200000000 ] - [ -0.0004804300000000, -0.0001888900000000, 0.0002032400000000 ] - [ 0.0006349400000000, -0.0028957200000000, -0.0010535000000000 ] - [ -0.0005026900000000, 0.0000363900000000, -0.0002181100000000 ] - [ 0.0004498100000000, 0.0000916200000000, 0.0003750300000000 ] - [ 0.0002882500000000, 0.0001493600000000, 0.0003979800000000 ] - [ 0.0008297500000000, -0.0009250500000000, 0.0002161300000000 ] - [ 0.0008171900000000, -0.0009325500000000, 0.0004313300000000 ] - [ 0.0033863700000000, -0.0003392600000000, 0.0001339200000000 ] - [ 0.0010599600000000, 0.0002114000000000, 0.0003351800000000 ] - [ 0.0006129700000000, -0.0007231300000000, -0.0002536800000000 ] - [ 0.0001942800000000, -0.0004632600000000, -0.0002474200000000 ] - [ 0.0002716200000000, -0.0002042100000000, -0.0001450100000000 ] - [ 0.0003029800000000, -0.0001302100000000, -0.0002431900000000 ] - [ 0.0005771600000000, -0.0003570300000000, 0.0002558500000000 ] - [ 0.0003580300000000, -0.0000843800000000, 0.0001553200000000 ] - [ 0.0005776500000000, -0.0006623300000000, 0.0002483400000000 ] - [ 0.0005143300000000, -0.0006481500000000, 0.0000210900000000 ] - [ -0.0003330200000000, 0.0002075300000000, -0.0002634200000000 ] - [ -0.0002632100000000, -0.0001398800000000, -0.0001633700000000 ] - [ 0.0003714600000000, 0.0002172000000000, 0.0006858200000000 ] - [ -0.0000796800000000, 0.0000864700000000, 0.0005464400000000 ] - [ -0.0001868100000000, -0.0014106000000000, -0.0006205100000000 ] - [ -0.0000594500000000, -0.0002575900000000, 0.0006263500000000 ] - [ -0.0020841000000000, -0.0004089700000000, -0.0002278000000000 ] - [ -0.0005715800000000, 0.0005189300000000, 0.0001041200000000 ] - [ -0.0214380200000000, -0.0224261900000000, 0.0172877600000000 ] - [ -0.0008007600000000, 0.0006687900000000, 0.0003250000000000 ] - [ -0.0007361800000000, -0.0009467600000000, 0.0002924100000000 ] - [ -0.0002535500000000, -0.0010177600000000, 0.0003319400000000 ] - [ -0.0010822200000000, -0.0003386200000000, 0.0003314200000000 ] - [ -0.0009777400000000, -0.0003493100000000, 0.0002957200000000 ] - [ 0.0002434700000000, 0.0004133000000000, 0.0002175500000000 ] - [ 0.0000774700000000, -0.0000103100000000, 0.0001032000000000 ]- atom: 21 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0002803900000000, 0.0002565000000000, 0.0002348800000000 ] - [ 0.0002804100000000, 0.0002367600000000, 0.0002689300000000 ] - [ -0.0000375800000000, 0.0007445100000000, -0.0030290800000000 ] - [ 0.0001883800000000, -0.0001921100000000, 0.0016143400000000 ] - [ 0.0000958300000000, 0.0002568600000000, 0.0003494500000000 ] - [ 0.0000605800000000, -0.0000324900000000, 0.0001166900000000 ] - [ 0.0025071800000000, -0.0020918600000000, -0.0006233700000000 ] - [ -0.0001997500000000, -0.0005539800000000, 0.0003849500000000 ] - [ 0.0001692700000000, -0.0000060700000000, 0.0000861500000000 ] - [ -0.0001454100000000, 0.0004617800000000, 0.0002919000000000 ] - [ -0.0002041700000000, 0.0016354800000000, -0.0000306300000000 ] - [ 0.0003938500000000, 0.0000136300000000, 0.0002409300000000 ] - [ -0.0048061500000000, 0.0001497500000000, 0.0018328200000000 ] - [ -0.0007462000000000, 0.0002529200000000, -0.0010059300000000 ] - [ 0.0019049500000000, 0.0024939900000000, -0.0014106200000000 ] - [ 0.0005784000000000, 0.0006077300000000, -0.0000203400000000 ] - [ 0.0002488200000000, 0.0004655500000000, 0.0002863100000000 ] - [ 0.0002878100000000, 0.0006783600000000, 0.0004479900000000 ] - [ -0.0014034300000000, 0.0011022400000000, -0.0010610400000000 ] - [ -0.0010494800000000, 0.0003272600000000, -0.0002328700000000 ] - [ 0.0097700400000000, -0.3123225300000000, 0.0292887700000000 ] - [ 0.0003211500000000, -0.0007112400000000, -0.0006221100000000 ] - [ 0.0007047000000000, -0.0023146500000000, 0.0001662200000000 ] - [ 0.0003233400000000, -0.0015484100000000, 0.0001863300000000 ] - [ -0.0001094900000000, 0.0006151900000000, 0.0002255400000000 ] - [ -0.0000289800000000, 0.0004354100000000, 0.0003514900000000 ] - [ -0.0005599000000000, 0.0001747800000000, 0.0003384000000000 ] - [ -0.0005447900000000, 0.0002217000000000, 0.0002565500000000 ] - [ 0.0004063000000000, 0.0006390900000000, 0.0002235100000000 ] - [ 0.0002906500000000, -0.0000750300000000, 0.0003945900000000 ] - [ -0.0002167000000000, 0.0006384800000000, 0.0000770000000000 ] - [ -0.0000084100000000, 0.0003205100000000, 0.0007127500000000 ] - [ -0.0008021000000000, -0.0010656600000000, -0.0025061200000000 ] - [ 0.0003147000000000, -0.0001156700000000, 0.0006945000000000 ] - [ 0.0010797600000000, 0.0226016700000000, -0.0044136500000000 ] - [ -0.0000728000000000, 0.0007859000000000, -0.0005221600000000 ] - [ -0.0004134200000000, 0.0008745900000000, -0.0006006100000000 ] - [ -0.0004031800000000, 0.0008803900000000, -0.0006992000000000 ] - [ 0.0074848400000000, 0.0054257000000000, 0.0024795800000000 ] - [ -0.0002455400000000, -0.0002341700000000, 0.0004007500000000 ] - [ -0.0003265500000000, -0.0008231700000000, -0.0006557700000000 ] - [ -0.0000580600000000, -0.0009004000000000, -0.0002112500000000 ] - [ 0.0002596100000000, -0.0003604700000000, 0.0017264900000000 ] - [ -0.0000179100000000, -0.0003489500000000, 0.0001432300000000 ] - [ -0.0015536500000000, 0.0000502900000000, 0.0000988800000000 ] - [ -0.0007839900000000, -0.0004643400000000, -0.0004166600000000 ] - [ 0.0001245100000000, -0.0012635500000000, -0.0028814200000000 ] - [ 0.0006054300000000, 0.0004204500000000, -0.0000462100000000 ] - [ -0.0014979800000000, 0.0007600500000000, -0.0006312500000000 ] - [ -0.0005449800000000, 0.0000005400000000, -0.0006203500000000 ] - [ -0.0005357000000000, -0.0001419200000000, 0.0000898900000000 ] - [ -0.0002782000000000, -0.0001483300000000, 0.0005266100000000 ] - [ 0.0005078600000000, 0.0003347600000000, -0.0000279900000000 ] - [ 0.0003546700000000, 0.0002382100000000, 0.0005755800000000 ] - [ 0.0010198900000000, 0.0001971100000000, 0.0001737500000000 ] - [ 0.0010399600000000, 0.0000675100000000, -0.0014687300000000 ] - [ -0.0015311400000000, -0.0016216200000000, 0.0009760100000000 ] - [ 0.0007082800000000, -0.0004054100000000, -0.0004106100000000 ] - [ -0.0002261000000000, 0.0003831500000000, 0.0002833300000000 ] - [ -0.0002223400000000, 0.0002665700000000, 0.0000997500000000 ] - [ 0.0002282000000000, 0.0015875200000000, -0.0006080400000000 ] - [ 0.0001997100000000, 0.0005134400000000, -0.0006063800000000 ] - [ -0.0006972300000000, -0.0007997000000000, -0.0007987700000000 ] - [ -0.0005656000000000, -0.0008506200000000, -0.0004962100000000 ] - [ -0.0277185100000000, 0.0049888500000000, 0.0147491000000000 ] - [ 0.0004352100000000, 0.0000044400000000, -0.0008834500000000 ] - [ -0.0008423500000000, -0.0014885000000000, -0.0014126100000000 ] - [ 0.0001609700000000, -0.0004959600000000, -0.0005158500000000 ] - [ -0.0005282400000000, 0.0011801000000000, -0.0021738800000000 ] - [ 0.0002885300000000, 0.0001760200000000, -0.0004510300000000 ] - [ -0.0022445100000000, 0.0023519700000000, -0.0014332800000000 ] - [ -0.0008052200000000, 0.0004585100000000, -0.0005828800000000 ] - [ 0.0012157700000000, -0.0007109900000000, -0.0007465000000000 ] - [ 0.0012843700000000, -0.0003260400000000, -0.0002996300000000 ] - [ 0.0008448000000000, 0.0015669600000000, -0.0005014700000000 ] - [ 0.0004481300000000, 0.0008091300000000, -0.0011142600000000 ] - [ 0.0010037000000000, 0.0006809900000000, 0.0007597100000000 ] - [ 0.0000064700000000, 0.0003835600000000, 0.0001611500000000 ] - [ -0.0000683900000000, 0.0011829100000000, 0.0024866800000000 ] - [ -0.0007027800000000, 0.0008445800000000, -0.0007040600000000 ] - [ 0.0000331600000000, -0.0015348900000000, 0.0017008700000000 ] - [ -0.0001957600000000, -0.0001078300000000, 0.0002856100000000 ] - [ -0.0005985100000000, -0.0003877500000000, 0.0002739700000000 ] - [ -0.0002774000000000, -0.0001078800000000, 0.0007695700000000 ] - [ 0.0005169400000000, 0.0007326300000000, 0.0003027100000000 ] - [ 0.0006299900000000, 0.0008685000000000, -0.0002832000000000 ] - [ 0.0011273700000000, 0.0009068500000000, 0.0000052200000000 ] - [ 0.0003364300000000, 0.0004774800000000, -0.0003757400000000 ] - [ -0.0005729300000000, -0.0002084200000000, 0.0006219400000000 ] - [ -0.0005651000000000, -0.0003266200000000, 0.0001761900000000 ] - [ -0.0011064200000000, -0.0020189000000000, 0.0003597700000000 ] - [ -0.0002595500000000, -0.0008773500000000, -0.0001153100000000 ] - [ 0.0005302200000000, 0.0024364900000000, -0.0004986500000000 ] - [ 0.0002230100000000, 0.0025086700000000, 0.0007333500000000 ] - [ 0.0008360600000000, -0.0003911900000000, 0.0006619100000000 ] - [ 0.0001307300000000, -0.0003949500000000, -0.0001263700000000 ] - [ -0.0009064400000000, 0.0003616200000000, 0.0000919800000000 ] - [ -0.0008172200000000, 0.0005231700000000, -0.0011661500000000 ] - [ 0.0005970500000000, -0.0003381000000000, 0.0002994000000000 ] - [ 0.0006099600000000, 0.0000959800000000, 0.0002417200000000 ] - [ -0.0002007000000000, 0.0007393400000000, 0.0002617300000000 ] - [ -0.0002725500000000, 0.0004879200000000, 0.0001511400000000 ] - [ 0.0078560200000000, -0.0156805100000000, -0.0066533600000000 ] - [ -0.0005306300000000, 0.0000330300000000, 0.0001112400000000 ] - [ 0.0086450200000000, 0.0035602000000000, -0.0003835000000000 ] - [ -0.0004459300000000, 0.0002255200000000, -0.0003961200000000 ] - [ 0.0007123700000000, -0.0006928300000000, 0.0008151500000000 ] - [ 0.0003723800000000, -0.0000420600000000, 0.0003937600000000 ] - [ 0.0011823500000000, -0.0009700100000000, 0.0000305300000000 ] - [ 0.0011064900000000, -0.0009636900000000, 0.0004976500000000 ] - [ 0.0034814000000000, 0.0009951400000000, 0.0000872800000000 ] - [ 0.0010876000000000, 0.0003339200000000, 0.0002608300000000 ] - [ 0.0019916400000000, -0.0017376500000000, 0.0000746100000000 ] - [ 0.0004681800000000, -0.0006327300000000, -0.0004263200000000 ] - [ -0.0001333800000000, -0.0008878000000000, 0.0002968900000000 ] - [ 0.0001071900000000, -0.0003485400000000, -0.0002679100000000 ] - [ 0.0010134500000000, -0.0023510700000000, 0.0009275800000000 ] - [ 0.0004792600000000, -0.0004753800000000, 0.0001738300000000 ] - [ 0.0008520000000000, -0.0009137600000000, 0.0004167100000000 ] - [ 0.0008412900000000, -0.0010856000000000, -0.0004662400000000 ] - [ -0.0006704200000000, -0.0009310500000000, -0.0002153700000000 ] - [ -0.0005194500000000, -0.0005433300000000, 0.0000404900000000 ] - [ 0.0004994700000000, 0.0007239900000000, 0.0007230700000000 ] - [ -0.0002442800000000, 0.0002490100000000, 0.0004157500000000 ] - [ 0.0063828400000000, -0.0041622400000000, -0.0077995300000000 ] - [ 0.0000587700000000, -0.0002011600000000, 0.0008445800000000 ] - [ -0.0054353800000000, -0.0038563000000000, -0.0012424700000000 ] - [ -0.0006022700000000, 0.0004744400000000, 0.0001940200000000 ] - [ -0.0090690200000000, 0.3010804500000000, -0.0219602000000000 ] - [ -0.0007971500000000, 0.0009617500000000, 0.0002666200000000 ] - [ 0.0007322300000000, -0.0025332000000000, 0.0001992800000000 ] - [ -0.0000845500000000, -0.0011181800000000, 0.0002335700000000 ] - [ -0.0007622400000000, -0.0010876600000000, -0.0009664600000000 ] - [ -0.0009896600000000, -0.0008206500000000, 0.0012820800000000 ] - [ -0.0013472200000000, -0.0001870900000000, -0.0002183700000000 ] - [ -0.0007171800000000, -0.0001902100000000, 0.0010134900000000 ]- atom: 21 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0005235400000000, 0.0004325100000000, 0.0001992300000000 ] - [ 0.0005239800000000, 0.0004520500000000, 0.0001630000000000 ] - [ -0.0009580000000000, -0.0003960800000000, 0.0035269900000000 ] - [ -0.0011898600000000, 0.0005464300000000, -0.0012127500000000 ] - [ 0.0000950800000000, -0.0013483600000000, 0.0000919900000000 ] - [ 0.0001312400000000, -0.0010527300000000, 0.0003322200000000 ] - [ -0.0034254600000000, 0.0014027100000000, 0.0010918300000000 ] - [ -0.0006101300000000, -0.0001277800000000, 0.0000440600000000 ] - [ -0.0003717900000000, 0.0010845200000000, 0.0003600300000000 ] - [ -0.0000463100000000, 0.0006130500000000, 0.0001526100000000 ] - [ 0.0012116100000000, -0.0020192300000000, 0.0004670900000000 ] - [ 0.0005991200000000, -0.0003621300000000, 0.0001898200000000 ] - [ 0.0049031200000000, -0.0001515100000000, -0.0025080500000000 ] - [ 0.0007582100000000, -0.0002560100000000, 0.0003788800000000 ] - [ -0.0019532200000000, -0.0025571800000000, 0.0008028000000000 ] - [ -0.0005945200000000, -0.0006229300000000, -0.0006214000000000 ] - [ 0.0004092600000000, -0.0000716100000000, 0.0004066500000000 ] - [ 0.0003686800000000, -0.0002898000000000, 0.0002418300000000 ] - [ -0.0001093700000000, -0.0004196900000000, 0.0003604200000000 ] - [ -0.0004747100000000, 0.0003709700000000, -0.0004880300000000 ] - [ -0.0127682900000000, 0.2909258800000000, -0.0275384300000000 ] - [ 0.0000834100000000, 0.0000694200000000, -0.0006349700000000 ] - [ -0.0007077100000000, 0.0015830200000000, 0.0005209000000000 ] - [ -0.0003140700000000, 0.0008083600000000, 0.0005126300000000 ] - [ 0.0000926000000000, 0.0001484600000000, 0.0004691200000000 ] - [ 0.0000111200000000, 0.0003293700000000, 0.0003410300000000 ] - [ -0.0001110800000000, 0.0001929400000000, 0.0003535800000000 ] - [ -0.0001260200000000, 0.0001455400000000, 0.0004359600000000 ] - [ 0.0002603200000000, -0.0010261300000000, 0.0004714800000000 ] - [ 0.0003822200000000, -0.0002955200000000, 0.0002960300000000 ] - [ 0.0003313300000000, 0.0000176100000000, 0.0004916800000000 ] - [ 0.0001185300000000, 0.0003418200000000, -0.0001566300000000 ] - [ 0.0013330200000000, 0.0006666200000000, 0.0031260900000000 ] - [ 0.0002044800000000, -0.0003123000000000, -0.0001380100000000 ] - [ -0.0010685100000000, -0.0202625800000000, 0.0037043600000000 ] - [ -0.0000902100000000, 0.0008899400000000, -0.0001941900000000 ] - [ 0.0000115700000000, -0.0002338400000000, -0.0006574600000000 ] - [ 0.0000013400000000, -0.0002397900000000, -0.0005561400000000 ] - [ -0.0083381300000000, -0.0059609700000000, -0.0018442600000000 ] - [ -0.0004096100000000, -0.0001626100000000, 0.0002906500000000 ] - [ 0.0004963700000000, -0.0008476600000000, -0.0000625200000000 ] - [ 0.0002236500000000, -0.0007720200000000, -0.0005109500000000 ] - [ -0.0003748700000000, -0.0003007200000000, -0.0011989800000000 ] - [ -0.0000917300000000, -0.0003131800000000, 0.0004261000000000 ] - [ 0.0002057800000000, -0.0010329000000000, -0.0008279000000000 ] - [ -0.0005811200000000, -0.0005147500000000, -0.0003028200000000 ] - [ 0.0012670900000000, 0.0022710600000000, 0.0021972900000000 ] - [ 0.0007646400000000, 0.0005625100000000, -0.0006793700000000 ] - [ 0.0007393100000000, -0.0007886100000000, -0.0006260700000000 ] - [ -0.0002196800000000, -0.0000285500000000, -0.0006373100000000 ] - [ -0.0000885000000000, -0.0000965400000000, 0.0004804700000000 ] - [ -0.0003494800000000, -0.0000892800000000, 0.0000334500000000 ] - [ 0.0001141200000000, -0.0001020200000000, 0.0005999000000000 ] - [ 0.0002710700000000, -0.0000029800000000, -0.0000176100000000 ] - [ -0.0002631400000000, -0.0001733400000000, -0.0014487400000000 ] - [ -0.0002864300000000, -0.0000409200000000, 0.0002320500000000 ] - [ 0.0030756600000000, 0.0009346600000000, -0.0016960000000000 ] - [ 0.0008245700000000, -0.0002897100000000, -0.0003091600000000 ] - [ -0.0002949700000000, 0.0000388900000000, 0.0002801000000000 ] - [ -0.0002989600000000, 0.0001582200000000, 0.0004689800000000 ] - [ 0.0001389900000000, -0.0009443700000000, -0.0006504500000000 ] - [ 0.0001602600000000, 0.0001607500000000, -0.0006508100000000 ] - [ 0.0003447700000000, 0.0001304200000000, -0.0004532800000000 ] - [ 0.0002117700000000, 0.0001821900000000, -0.0007654000000000 ] - [ 0.0284992200000000, -0.0045027500000000, -0.0161451700000000 ] - [ -0.0004039900000000, 0.0005893500000000, -0.0001244500000000 ] - [ 0.0013523000000000, 0.0011896500000000, 0.0004127400000000 ] - [ 0.0003377600000000, 0.0001812500000000, -0.0004939800000000 ] - [ 0.0005043600000000, -0.0018006300000000, 0.0011982800000000 ] - [ -0.0003300500000000, -0.0007729000000000, -0.0005642300000000 ] - [ 0.0017696600000000, -0.0026816000000000, 0.0004466500000000 ] - [ 0.0002971900000000, -0.0007405700000000, -0.0004279300000000 ] - [ -0.0007159400000000, 0.0009942100000000, -0.0002617000000000 ] - [ -0.0007895700000000, 0.0006020900000000, -0.0007204900000000 ] - [ -0.0013710900000000, -0.0012867800000000, -0.0005056200000000 ] - [ -0.0009687400000000, -0.0005100400000000, 0.0001231500000000 ] - [ -0.0013844200000000, -0.0001581100000000, -0.0005375000000000 ] - [ -0.0003791200000000, 0.0001463000000000, 0.0000703700000000 ] - [ -0.0012430500000000, -0.0016205400000000, -0.0021983900000000 ] - [ -0.0006070800000000, -0.0012717900000000, 0.0010468000000000 ] - [ -0.0002064800000000, 0.0020633000000000, -0.0009597600000000 ] - [ 0.0000284500000000, 0.0006028700000000, 0.0004886600000000 ] - [ 0.0011307100000000, 0.0003015300000000, 0.0004965600000000 ] - [ 0.0008038800000000, 0.0000116600000000, -0.0000135200000000 ] - [ -0.0002202800000000, 0.0006110800000000, 0.0000197200000000 ] - [ -0.0003374600000000, 0.0004724500000000, 0.0006187000000000 ] - [ -0.0006437400000000, -0.0003875400000000, -0.0004944400000000 ] - [ 0.0001588600000000, 0.0000489100000000, -0.0001065400000000 ] - [ 0.0002540000000000, -0.0001764000000000, 0.0001410300000000 ] - [ 0.0002468400000000, -0.0000563500000000, 0.0005988800000000 ] - [ 0.0008313000000000, 0.0007057600000000, -0.0000372600000000 ] - [ -0.0000368300000000, -0.0004617400000000, 0.0004482200000000 ] - [ -0.0000548900000000, -0.0006077600000000, 0.0011719600000000 ] - [ 0.0002566400000000, -0.0006894000000000, -0.0000703200000000 ] - [ -0.0005685800000000, 0.0009937400000000, -0.0004421100000000 ] - [ 0.0001525400000000, 0.0009976000000000, 0.0003640300000000 ] - [ 0.0007138700000000, 0.0003349000000000, -0.0005848500000000 ] - [ 0.0006241300000000, 0.0001690200000000, 0.0007047300000000 ] - [ 0.0007168600000000, 0.0007516500000000, 0.0000248400000000 ] - [ 0.0007031200000000, 0.0003089900000000, 0.0000827400000000 ] - [ -0.0004414000000000, -0.0008025600000000, -0.0000346000000000 ] - [ -0.0003686000000000, -0.0005476000000000, 0.0000816400000000 ] - [ -0.0082686100000000, 0.0157806000000000, 0.0070824000000000 ] - [ 0.0002518300000000, -0.0006281300000000, 0.0001230100000000 ] - [ -0.0095540100000000, -0.0035188000000000, -0.0001111300000000 ] - [ -0.0002547700000000, -0.0000632600000000, -0.0000872700000000 ] - [ -0.0003922000000000, 0.0011042300000000, -0.0000589500000000 ] - [ -0.0000463700000000, 0.0004361200000000, 0.0003744900000000 ] - [ 0.0001671200000000, -0.0003737400000000, 0.0006422100000000 ] - [ 0.0002429100000000, -0.0003803600000000, 0.0001696700000000 ] - [ -0.0016540600000000, -0.0005226600000000, 0.0005729700000000 ] - [ 0.0007480000000000, 0.0001496000000000, 0.0004010600000000 ] - [ -0.0018256000000000, 0.0010719900000000, -0.0005697200000000 ] - [ -0.0002673200000000, -0.0000577800000000, -0.0000570500000000 ] - [ 0.0008450200000000, 0.0007393900000000, -0.0007959000000000 ] - [ 0.0005979800000000, 0.0001869400000000, -0.0002171500000000 ] - [ -0.0003875900000000, 0.0024607900000000, -0.0007166000000000 ] - [ 0.0001599200000000, 0.0005371600000000, 0.0000553100000000 ] - [ 0.0001468600000000, -0.0000093200000000, -0.0000948200000000 ] - [ 0.0001574200000000, 0.0001673900000000, 0.0008057000000000 ] - [ 0.0001835500000000, 0.0004204200000000, -0.0002724200000000 ] - [ 0.0000300300000000, 0.0000221300000000, -0.0005343900000000 ] - [ -0.0010178300000000, -0.0006391600000000, 0.0000424500000000 ] - [ -0.0002643600000000, -0.0001542900000000, 0.0003529600000000 ] - [ -0.0063721100000000, 0.0037499100000000, 0.0087473000000000 ] - [ 0.0001098200000000, -0.0002873300000000, -0.0000809800000000 ] - [ 0.0045485500000000, 0.0048944900000000, 0.0016061100000000 ] - [ -0.0004035000000000, 0.0004567500000000, 0.0001303800000000 ] - [ 0.0108227500000000, -0.2801508000000000, 0.0195502300000000 ] - [ -0.0005596700000000, 0.0003780200000000, 0.0004021300000000 ] - [ -0.0012520700000000, 0.0007149700000000, 0.0004718000000000 ] - [ -0.0004048600000000, -0.0007295900000000, 0.0004365600000000 ] - [ -0.0010852900000000, 0.0006159300000000, 0.0016570000000000 ] - [ -0.0008503200000000, 0.0003462500000000, -0.0006465800000000 ] - [ 0.0017519700000000, -0.0003370600000000, 0.0004570800000000 ] - [ 0.0011104600000000, -0.0003356900000000, -0.0008082900000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004619100000000, 0.0003647900000000, 0.0001652600000000 ] - [ 0.0004101900000000, 0.0003215100000000, 0.0002761400000000 ] - [ -0.0001149000000000, -0.0019040000000000, 0.0008492700000000 ] - [ -0.0006175000000000, 0.0005732500000000, 0.0007252800000000 ] - [ 0.0000357700000000, -0.0005995900000000, 0.0001613100000000 ] - [ 0.0001265100000000, -0.0004466200000000, 0.0002236800000000 ] - [ -0.0006532400000000, -0.0013864700000000, -0.0003663800000000 ] - [ -0.0003452900000000, -0.0003095300000000, 0.0004017300000000 ] - [ 0.0000242700000000, 0.0006455900000000, 0.0000411000000000 ] - [ -0.0001480400000000, 0.0004935400000000, 0.0004041300000000 ] - [ 0.0004540600000000, 0.0000323600000000, 0.0001385900000000 ] - [ 0.0004891700000000, -0.0001966800000000, 0.0002822800000000 ] - [ -0.0007578100000000, 0.0002407600000000, -0.0000444000000000 ] - [ 0.0003270200000000, -0.0003158900000000, 0.0000787700000000 ] - [ 0.0002897400000000, 0.0001334700000000, -0.0007254300000000 ] - [ 0.0000048400000000, 0.0001030500000000, 0.0000293400000000 ] - [ 0.0003265900000000, 0.0001893800000000, 0.0003357100000000 ] - [ 0.0002934800000000, 0.0002295900000000, 0.0003677500000000 ] - [ -0.0011764100000000, 0.0004071500000000, -0.0007297400000000 ] - [ -0.0007201600000000, 0.0004938600000000, -0.0002060300000000 ] - [ 0.0172954500000000, 0.0435019100000000, -0.0569296000000000 ] - [ 0.0002104800000000, -0.0003146400000000, -0.0004282100000000 ] - [ 0.0006171800000000, -0.0000578100000000, 0.0007443700000000 ] - [ -0.0001289500000000, -0.0005801900000000, 0.0004884100000000 ] - [ 0.0000090500000000, 0.0003434500000000, 0.0003274000000000 ] - [ -0.0000121000000000, 0.0004013600000000, 0.0003636000000000 ] - [ -0.0005153200000000, 0.0002441700000000, 0.0003061900000000 ] - [ -0.0001766200000000, 0.0001424500000000, 0.0003826700000000 ] - [ 0.0002937300000000, -0.0000453100000000, 0.0004047300000000 ] - [ 0.0003281600000000, -0.0001686500000000, 0.0003650400000000 ] - [ 0.0000476000000000, 0.0003376400000000, 0.0001191000000000 ] - [ 0.0000338800000000, 0.0003372300000000, 0.0004258300000000 ] - [ 0.0008883000000000, -0.0005993200000000, -0.0008931400000000 ] - [ 0.0003056500000000, -0.0001599900000000, 0.0006306200000000 ] - [ -0.0010050700000000, 0.0355085300000000, -0.0017942600000000 ] - [ -0.0001161900000000, 0.0007398400000000, -0.0003045800000000 ] - [ -0.0001930500000000, 0.0004144400000000, -0.0006315400000000 ] - [ -0.0002344800000000, 0.0002750100000000, -0.0006310700000000 ] - [ -0.0002188300000000, 0.0001246200000000, 0.0005085600000000 ] - [ -0.0003161500000000, -0.0002374900000000, 0.0004393800000000 ] - [ 0.0001952300000000, -0.0009626200000000, -0.0004153500000000 ] - [ -0.0000443400000000, -0.0007415700000000, -0.0002533900000000 ] - [ -0.0000532800000000, -0.0002397700000000, 0.0002582300000000 ] - [ -0.0000393300000000, -0.0003986800000000, 0.0004230300000000 ] - [ -0.0005722000000000, -0.0005061400000000, -0.0004308100000000 ] - [ -0.0007072100000000, -0.0005093600000000, -0.0003203000000000 ] - [ 0.0022113000000000, -0.0006099300000000, 0.0016066100000000 ] - [ 0.0008997200000000, 0.0007816300000000, -0.0002638700000000 ] - [ -0.0003611300000000, -0.0000519600000000, -0.0004727000000000 ] - [ -0.0003624300000000, -0.0000321800000000, -0.0006294300000000 ] - [ -0.0003084800000000, -0.0001032300000000, 0.0000738800000000 ] - [ -0.0003051200000000, -0.0001357200000000, 0.0004502100000000 ] - [ 0.0003777600000000, 0.0001630500000000, 0.0001465300000000 ] - [ 0.0002981000000000, 0.0001452400000000, 0.0004023400000000 ] - [ 0.0002508800000000, 0.0003027200000000, -0.0006868000000000 ] - [ 0.0005574000000000, -0.0002197700000000, -0.0009962500000000 ] - [ 0.0002040100000000, -0.0001446100000000, -0.0008947100000000 ] - [ 0.0008869000000000, -0.0004170600000000, -0.0001176100000000 ] - [ -0.0002519500000000, 0.0002366500000000, 0.0002375800000000 ] - [ -0.0002505500000000, 0.0002050200000000, 0.0003132200000000 ] - [ 0.0001480300000000, 0.0003588400000000, -0.0004724800000000 ] - [ 0.0001611600000000, 0.0003405900000000, -0.0006290600000000 ] - [ -0.0009038400000000, -0.0009104400000000, -0.0009999100000000 ] - [ 0.0005823400000000, 0.0001497100000000, -0.0006849100000000 ] - [ -0.0034731300000000, 0.0047483100000000, 0.0019572400000000 ] - [ 0.0000100100000000, 0.0004843600000000, -0.0001785700000000 ] - [ 0.0001004600000000, -0.0002156000000000, -0.0006994400000000 ] - [ 0.0003924900000000, -0.0001812100000000, -0.0003215000000000 ] - [ -0.0000404700000000, -0.0001954100000000, -0.0006644500000000 ] - [ 0.0000628400000000, -0.0002573100000000, -0.0004476700000000 ] - [ -0.0004788200000000, 0.0001824200000000, -0.0006796400000000 ] - [ -0.0002937500000000, -0.0001952300000000, -0.0004139600000000 ] - [ 0.0001712200000000, -0.0003203400000000, -0.0009254100000000 ] - [ 0.0003318300000000, 0.0005656600000000, -0.0000888700000000 ] - [ 0.0001202300000000, 0.0009090900000000, -0.0010135800000000 ] - [ -0.0003834400000000, -0.0000273800000000, -0.0003707700000000 ] - [ -0.0001832200000000, 0.0003744900000000, 0.0002491700000000 ] - [ -0.0002439600000000, 0.0002093500000000, 0.0000013400000000 ] - [ -0.0018032300000000, 0.0001112600000000, 0.0002715700000000 ] - [ -0.0004655600000000, -0.0001465000000000, -0.0002342100000000 ] - [ -0.0001076800000000, 0.0001174900000000, 0.0006319100000000 ] - [ -0.0000942000000000, 0.0001926500000000, 0.0002808400000000 ] - [ 0.0000084800000000, -0.0001897400000000, 0.0006251800000000 ] - [ 0.0002975900000000, -0.0000170200000000, 0.0002706200000000 ] - [ 0.0001937600000000, 0.0006485800000000, 0.0002990600000000 ] - [ 0.0000973000000000, 0.0007146100000000, 0.0000093200000000 ] - [ 0.0003360400000000, 0.0002662800000000, -0.0000938500000000 ] - [ 0.0002016600000000, 0.0002992600000000, -0.0004045400000000 ] - [ -0.0000871500000000, -0.0000586600000000, 0.0007235200000000 ] - [ -0.0002688900000000, -0.0003728100000000, 0.0000723000000000 ] - [ -0.0002500000000000, -0.0008557100000000, 0.0002226100000000 ] - [ -0.0001741200000000, -0.0007118800000000, 0.0000171300000000 ] - [ 0.0012937400000000, 0.0012769700000000, -0.0006642300000000 ] - [ -0.0008523100000000, 0.0009322100000000, -0.0005899800000000 ] - [ 0.0001858300000000, 0.0002303400000000, 0.0001713900000000 ] - [ 0.0001122700000000, 0.0002849200000000, 0.0000556600000000 ] - [ -0.0000281300000000, 0.0006055500000000, -0.0002029200000000 ] - [ -0.0001824600000000, 0.0001318500000000, -0.0003571200000000 ] - [ 0.0005884800000000, 0.0002032700000000, 0.0002658000000000 ] - [ 0.0006661600000000, 0.0001814900000000, 0.0000838500000000 ] - [ 0.0000598800000000, 0.0004884400000000, 0.0002797800000000 ] - [ -0.0006340100000000, -0.0004861100000000, -0.0000598300000000 ] - [ 0.0012979000000000, -0.0033683900000000, 0.0067073500000000 ] - [ -0.0000981000000000, -0.0002684300000000, -0.0001860400000000 ] - [ 0.0005839100000000, 0.0000751300000000, 0.0006562200000000 ] - [ -0.0004201300000000, 0.0000183300000000, -0.0005191600000000 ] - [ 0.0002066300000000, 0.0000685400000000, 0.0004520400000000 ] - [ 0.0001907700000000, 0.0002530600000000, 0.0003154800000000 ] - [ 0.0007956400000000, -0.0008275400000000, 0.0003307300000000 ] - [ 0.0006139600000000, -0.0005360200000000, 0.0003295400000000 ] - [ 0.0005708400000000, 0.0001808600000000, 0.0005822500000000 ] - [ 0.0009053400000000, 0.0002786100000000, 0.0000873300000000 ] - [ 0.0003423000000000, -0.0005189900000000, -0.0001284500000000 ] - [ 0.0001299000000000, -0.0003036200000000, -0.0003755100000000 ] - [ 0.0002748300000000, -0.0001662700000000, -0.0002023800000000 ] - [ 0.0003107300000000, -0.0000953200000000, -0.0002457600000000 ] - [ 0.0004455600000000, -0.0002503900000000, 0.0001703200000000 ] - [ 0.0003114100000000, 0.0000529000000000, 0.0000535900000000 ] - [ 0.0004847100000000, -0.0003884100000000, 0.0002837400000000 ] - [ 0.0005594000000000, -0.0005511100000000, 0.0000316500000000 ] - [ -0.0002678600000000, -0.0006557100000000, -0.0001786600000000 ] - [ -0.0002482500000000, -0.0001552100000000, -0.0002094000000000 ] - [ -0.0000809600000000, 0.0000946600000000, 0.0004661400000000 ] - [ -0.0003934700000000, 0.0000630100000000, 0.0002279100000000 ] - [ -0.0004871200000000, -0.0004337200000000, -0.0001009600000000 ] - [ 0.0000504000000000, -0.0002820400000000, 0.0000882500000000 ] - [ -0.0005905500000000, 0.0002098100000000, 0.0002661600000000 ] - [ -0.0005059200000000, 0.0005612600000000, -0.0000500500000000 ] - [ -0.0157116800000000, -0.0762594100000000, 0.0488145000000000 ] - [ -0.0006843900000000, 0.0006294700000000, 0.0000565500000000 ] - [ -0.0001663200000000, -0.0009282200000000, 0.0002172300000000 ] - [ -0.0002080600000000, -0.0009363600000000, 0.0002905100000000 ] - [ -0.0010359700000000, -0.0004710400000000, 0.0006633300000000 ] - [ -0.0007907900000000, -0.0001712500000000, 0.0008381800000000 ] - [ -0.0002167900000000, -0.0009316500000000, 0.0001540700000000 ] - [ 0.0002105300000000, 0.0001083400000000, 0.0000895800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003445600000000, 0.0003227200000000, 0.0002664600000000 ] - [ 0.0003941800000000, 0.0003650000000000, 0.0001590900000000 ] - [ -0.0008712600000000, 0.0022301800000000, -0.0004197600000000 ] - [ -0.0003674200000000, -0.0002362700000000, -0.0002942700000000 ] - [ 0.0001554400000000, -0.0004745600000000, 0.0002807300000000 ] - [ 0.0000645400000000, -0.0006256400000000, 0.0002239500000000 ] - [ -0.0001562400000000, 0.0006979500000000, 0.0008225500000000 ] - [ -0.0004596300000000, -0.0003761800000000, 0.0000312100000000 ] - [ -0.0002150800000000, 0.0004292800000000, 0.0004060300000000 ] - [ -0.0000446800000000, 0.0005797400000000, 0.0000412200000000 ] - [ 0.0005366400000000, -0.0003751900000000, 0.0002930500000000 ] - [ 0.0005014800000000, -0.0001491100000000, 0.0001485200000000 ] - [ 0.0007534700000000, -0.0002434400000000, -0.0005777700000000 ] - [ -0.0003215800000000, 0.0003119200000000, -0.0007181500000000 ] - [ -0.0002925100000000, -0.0001317600000000, 0.0000820800000000 ] - [ -0.0000046300000000, -0.0001013500000000, -0.0006641000000000 ] - [ 0.0003282500000000, 0.0002088300000000, 0.0003557400000000 ] - [ 0.0003611600000000, 0.0001693900000000, 0.0003249100000000 ] - [ -0.0003565200000000, 0.0002944700000000, 0.0000163400000000 ] - [ -0.0008130400000000, 0.0002023400000000, -0.0005134100000000 ] - [ -0.0169362100000000, -0.0417539100000000, 0.0544579000000000 ] - [ 0.0001968900000000, -0.0003372800000000, -0.0008292000000000 ] - [ -0.0005935000000000, -0.0007081000000000, -0.0000532300000000 ] - [ 0.0001508200000000, -0.0001880400000000, 0.0002017400000000 ] - [ -0.0000268400000000, 0.0004221000000000, 0.0003650900000000 ] - [ -0.0000058500000000, 0.0003656300000000, 0.0003285800000000 ] - [ -0.0001590900000000, 0.0001243600000000, 0.0003843800000000 ] - [ -0.0004986800000000, 0.0002260100000000, 0.0003086800000000 ] - [ 0.0003755900000000, -0.0003278100000000, 0.0002881600000000 ] - [ 0.0003440400000000, -0.0001990700000000, 0.0003265000000000 ] - [ 0.0000616200000000, 0.0003244500000000, 0.0004430800000000 ] - [ 0.0000749000000000, 0.0003245000000000, 0.0001414400000000 ] - [ -0.0003721300000000, 0.0001748300000000, 0.0014402000000000 ] - [ 0.0002143900000000, -0.0002658700000000, -0.0000659600000000 ] - [ 0.0005568300000000, -0.0337594100000000, 0.0009707000000000 ] - [ -0.0000474400000000, 0.0009359800000000, -0.0004163900000000 ] - [ -0.0002133700000000, 0.0002373700000000, -0.0006258800000000 ] - [ -0.0001719900000000, 0.0003766800000000, -0.0006254000000000 ] - [ -0.0004148300000000, -0.0005095000000000, 0.0001901900000000 ] - [ -0.0003391500000000, -0.0001624600000000, 0.0002528000000000 ] - [ -0.0000340300000000, -0.0007106100000000, -0.0003017700000000 ] - [ 0.0002058100000000, -0.0009310800000000, -0.0004663300000000 ] - [ -0.0000550700000000, -0.0004236900000000, 0.0003133400000000 ] - [ -0.0000701000000000, -0.0002641900000000, 0.0001408000000000 ] - [ -0.0007927000000000, -0.0004745500000000, -0.0002928200000000 ] - [ -0.0006611100000000, -0.0004692100000000, -0.0003996100000000 ] - [ -0.0008809800000000, 0.0015946600000000, -0.0023524700000000 ] - [ 0.0004711300000000, 0.0002009100000000, -0.0004550300000000 ] - [ -0.0004034700000000, 0.0000211700000000, -0.0007856600000000 ] - [ -0.0004067900000000, 0.0000054000000000, -0.0006280200000000 ] - [ -0.0003183700000000, -0.0001348000000000, 0.0004892100000000 ] - [ -0.0003212300000000, -0.0001028200000000, 0.0001169000000000 ] - [ 0.0002486000000000, 0.0000759400000000, 0.0004250800000000 ] - [ 0.0003288900000000, 0.0000930300000000, 0.0001615400000000 ] - [ 0.0005198700000000, -0.0002714200000000, -0.0005683300000000 ] - [ 0.0002118700000000, 0.0002545800000000, -0.0002622400000000 ] - [ 0.0013422500000000, -0.0005517700000000, 0.0001598700000000 ] - [ 0.0006426400000000, -0.0002788400000000, -0.0006044800000000 ] - [ -0.0002682600000000, 0.0001895100000000, 0.0003290000000000 ] - [ -0.0002693100000000, 0.0002211400000000, 0.0002495000000000 ] - [ 0.0002166000000000, 0.0003131700000000, -0.0007854600000000 ] - [ 0.0001993400000000, 0.0003380300000000, -0.0006276600000000 ] - [ 0.0005327400000000, 0.0002241700000000, -0.0002657500000000 ] - [ -0.0009550100000000, -0.0008361600000000, -0.0005663500000000 ] - [ 0.0034898300000000, -0.0041568400000000, -0.0028950800000000 ] - [ 0.0000305900000000, 0.0001016100000000, -0.0008374800000000 ] - [ 0.0003984600000000, -0.0001061200000000, -0.0003082400000000 ] - [ 0.0001060900000000, -0.0001406500000000, -0.0006876800000000 ] - [ 0.0000041900000000, -0.0003892700000000, -0.0003529700000000 ] - [ -0.0000958200000000, -0.0003304600000000, -0.0005639000000000 ] - [ -0.0000392000000000, -0.0004580200000000, -0.0003265200000000 ] - [ -0.0002257300000000, -0.0000725000000000, -0.0005999700000000 ] - [ 0.0003468200000000, 0.0005833600000000, -0.0000945800000000 ] - [ 0.0001886000000000, -0.0003004100000000, -0.0009255300000000 ] - [ -0.0006105600000000, -0.0005817400000000, -0.0000109500000000 ] - [ -0.0001125100000000, 0.0003577200000000, -0.0006402000000000 ] - [ -0.0001894000000000, 0.0001583400000000, -0.0000177100000000 ] - [ -0.0001247800000000, 0.0003218700000000, 0.0002304600000000 ] - [ 0.0004833000000000, -0.0005119000000000, 0.0000628100000000 ] - [ -0.0008506300000000, -0.0002521700000000, 0.0005584700000000 ] - [ -0.0000616600000000, 0.0003673100000000, 0.0001444000000000 ] - [ -0.0000761600000000, 0.0002955500000000, 0.0004898700000000 ] - [ 0.0005000900000000, 0.0000929200000000, 0.0001521400000000 ] - [ 0.0002107400000000, -0.0000838500000000, 0.0004991300000000 ] - [ 0.0001066900000000, 0.0006953400000000, 0.0000295800000000 ] - [ 0.0002053700000000, 0.0006307300000000, 0.0003134500000000 ] - [ 0.0001603000000000, 0.0002657300000000, -0.0003914000000000 ] - [ 0.0002945500000000, 0.0002324600000000, -0.0000819200000000 ] - [ -0.0002397500000000, -0.0003268200000000, 0.0000511900000000 ] - [ -0.0000596500000000, -0.0000145600000000, 0.0006974800000000 ] - [ -0.0000442800000000, -0.0004845000000000, 0.0000996600000000 ] - [ -0.0001255300000000, -0.0006331100000000, 0.0003098000000000 ] - [ -0.0007896100000000, 0.0005814700000000, 0.0013272800000000 ] - [ 0.0013593800000000, 0.0009252200000000, 0.0012655400000000 ] - [ 0.0000995300000000, 0.0003577900000000, 0.0000629800000000 ] - [ 0.0001702800000000, 0.0003029000000000, 0.0001743300000000 ] - [ -0.0001807700000000, 0.0000922800000000, -0.0002790600000000 ] - [ -0.0000282400000000, 0.0005663500000000, -0.0001312500000000 ] - [ 0.0007233300000000, 0.0001991200000000, 0.0000596900000000 ] - [ 0.0006452800000000, 0.0002203900000000, 0.0002437000000000 ] - [ -0.0006968100000000, -0.0005316500000000, -0.0000449700000000 ] - [ -0.0000014600000000, 0.0004417600000000, 0.0002896400000000 ] - [ -0.0015858600000000, 0.0027149900000000, -0.0065037700000000 ] - [ -0.0001893300000000, -0.0003172600000000, 0.0004207000000000 ] - [ -0.0012513800000000, 0.0000844700000000, -0.0011499400000000 ] - [ -0.0002835800000000, 0.0001477700000000, 0.0000327400000000 ] - [ 0.0001240400000000, 0.0003224300000000, 0.0003122300000000 ] - [ 0.0001382200000000, 0.0001352100000000, 0.0004544600000000 ] - [ 0.0005638300000000, -0.0005215600000000, 0.0003391600000000 ] - [ 0.0007459800000000, -0.0008129000000000, 0.0003368000000000 ] - [ 0.0012553700000000, 0.0003066300000000, 0.0000777900000000 ] - [ 0.0009363500000000, 0.0002062200000000, 0.0005731600000000 ] - [ -0.0001338700000000, -0.0001760300000000, -0.0003591400000000 ] - [ 0.0000794700000000, -0.0003927000000000, -0.0001128600000000 ] - [ 0.0004256900000000, -0.0000012100000000, -0.0002820000000000 ] - [ 0.0003888200000000, -0.0000716200000000, -0.0002423900000000 ] - [ 0.0001961600000000, 0.0003097600000000, 0.0000581400000000 ] - [ 0.0003312500000000, -0.0000035600000000, 0.0001770500000000 ] - [ 0.0005219100000000, -0.0005419200000000, 0.0000454700000000 ] - [ 0.0004476900000000, -0.0003809600000000, 0.0002911100000000 ] - [ -0.0002299600000000, 0.0001208800000000, -0.0003045100000000 ] - [ -0.0002488500000000, -0.0003822700000000, -0.0002806800000000 ] - [ -0.0004279400000000, 0.0000048500000000, 0.0002989400000000 ] - [ -0.0001170600000000, 0.0000356000000000, 0.0005412200000000 ] - [ 0.0006658500000000, -0.0000610000000000, 0.0008294100000000 ] - [ 0.0001171100000000, -0.0002022000000000, 0.0006852400000000 ] - [ -0.0004303900000000, 0.0007095900000000, 0.0000535400000000 ] - [ -0.0005004700000000, 0.0003717700000000, 0.0003764600000000 ] - [ 0.0146707000000000, 0.0752115100000000, -0.0467867200000000 ] - [ -0.0006744700000000, 0.0007161600000000, 0.0006110000000000 ] - [ -0.0003259200000000, -0.0009178600000000, 0.0004506500000000 ] - [ -0.0002765600000000, -0.0009159500000000, 0.0003767700000000 ] - [ -0.0008015800000000, -0.0000210300000000, -0.0000057400000000 ] - [ -0.0010480400000000, -0.0003222900000000, -0.0001813800000000 ] - [ 0.0005766000000000, 0.0003943100000000, 0.0000802300000000 ] - [ 0.0001528800000000, -0.0006468300000000, 0.0001436400000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003329000000000, 0.0006081000000000, 0.0003457100000000 ] - [ 0.0004231200000000, 0.0004052700000000, 0.0001090400000000 ] - [ 0.0004488600000000, -0.0002898200000000, -0.0002355600000000 ] - [ -0.0004695100000000, 0.0001705000000000, 0.0002520900000000 ] - [ 0.0022499600000000, -0.0024060300000000, 0.0029035400000000 ] - [ 0.0001768100000000, -0.0006430800000000, -0.0002557300000000 ] - [ -0.0004210800000000, -0.0005446000000000, 0.0003058500000000 ] - [ -0.0003870400000000, -0.0003998500000000, 0.0001427800000000 ] - [ 0.0004126700000000, 0.0007542900000000, 0.0000959300000000 ] - [ -0.0001757900000000, 0.0004762000000000, 0.0002441300000000 ] - [ 0.0009166000000000, 0.0009824900000000, 0.0022305600000000 ] - [ 0.0005686200000000, -0.0001900100000000, 0.0000438300000000 ] - [ -0.0013160300000000, 0.0018256800000000, -0.0013062300000000 ] - [ -0.0009401000000000, -0.0024968000000000, -0.0012429400000000 ] - [ 0.0014826800000000, 0.0000084700000000, 0.0001763200000000 ] - [ 0.0001419700000000, -0.0000250000000000, -0.0005878000000000 ] - [ 0.0003173900000000, 0.0009808700000000, -0.0235961100000000 ] - [ 0.0001210600000000, 0.0000979000000000, 0.0002656800000000 ] - [ -0.0008386200000000, 0.0001916300000000, -0.0004027000000000 ] - [ -0.0008295100000000, 0.0004843500000000, -0.0003719100000000 ] - [ 0.0002892600000000, -0.0005907800000000, -0.0006357400000000 ] - [ 0.0002200300000000, -0.0003889200000000, -0.0006492300000000 ] - [ 0.0002326500000000, -0.0010009600000000, 0.0001352600000000 ] - [ -0.0000005300000000, -0.0004274200000000, 0.0003624800000000 ] - [ -0.0000703000000000, 0.0006781700000000, 0.0003074300000000 ] - [ -0.0000150300000000, 0.0004309600000000, 0.0003202100000000 ] - [ 0.0001829700000000, 0.0001479500000000, 0.0005350000000000 ] - [ -0.0002450600000000, 0.0002204600000000, 0.0002923700000000 ] - [ 0.0017596800000000, -0.0006027200000000, 0.0000649100000000 ] - [ 0.0001680600000000, -0.0001183800000000, 0.0003660100000000 ] - [ -0.0446427900000000, -0.0133915000000000, 0.0137720600000000 ] - [ 0.0001692200000000, 0.0003292900000000, -0.0002503700000000 ] - [ 0.0001654500000000, -0.0009384900000000, 0.0006261500000000 ] - [ 0.0002592100000000, -0.0002470000000000, 0.0000602800000000 ] - [ -0.0000705600000000, 0.0007449100000000, -0.0003218200000000 ] - [ -0.0000887900000000, 0.0008262200000000, -0.0004152800000000 ] - [ -0.0002483600000000, 0.0006602800000000, -0.0006295600000000 ] - [ -0.0002300000000000, 0.0003518000000000, -0.0006440600000000 ] - [ -0.0000506700000000, -0.0000752400000000, 0.0004691900000000 ] - [ -0.0002543800000000, -0.0001552200000000, 0.0003451400000000 ] - [ 0.0000922100000000, -0.0008331700000000, -0.0003751000000000 ] - [ 0.0000801400000000, -0.0008164500000000, -0.0003678000000000 ] - [ -0.0000001300000000, -0.0003118800000000, 0.0003675500000000 ] - [ 0.0000003300000000, -0.0003548300000000, 0.0003738200000000 ] - [ -0.0007218700000000, -0.0004017900000000, -0.0002890800000000 ] - [ -0.0006875700000000, -0.0004883300000000, -0.0004008300000000 ] - [ 0.0007086600000000, 0.0004368500000000, -0.0003379100000000 ] - [ 0.0006867600000000, 0.0004727400000000, -0.0003556800000000 ] - [ -0.0002912500000000, 0.0000128000000000, -0.0006180100000000 ] - [ -0.0004271100000000, 0.0000136000000000, -0.0006471000000000 ] - [ 0.0000035100000000, 0.0008485400000000, 0.0001627100000000 ] - [ -0.0003469300000000, -0.0001042900000000, 0.0000096700000000 ] - [ 0.0003549100000000, 0.0000734000000000, 0.0000390100000000 ] - [ 0.0003312100000000, 0.0001141800000000, 0.0003539800000000 ] - [ 0.0004737600000000, -0.0000483600000000, -0.0006341800000000 ] - [ 0.0004664800000000, -0.0000695200000000, -0.0006592800000000 ] - [ 0.0008138800000000, -0.0003502900000000, -0.0003340700000000 ] - [ 0.0007795600000000, -0.0003433000000000, -0.0003853400000000 ] - [ -0.0002352200000000, 0.0002141300000000, 0.0003316700000000 ] - [ -0.0002132400000000, 0.0002549600000000, 0.0000012700000000 ] - [ -0.0008966500000000, -0.0005204800000000, -0.0006068500000000 ] - [ 0.0002573000000000, 0.0004244200000000, -0.0006974900000000 ] - [ -0.0000297700000000, -0.0002322300000000, -0.0006039300000000 ] - [ -0.0001117200000000, -0.0003019400000000, -0.0006310100000000 ] - [ 0.0003663600000000, 0.0001752900000000, 0.0003872100000000 ] - [ 0.0003948800000000, 0.0000865900000000, -0.0008090000000000 ] - [ 0.0000848400000000, 0.0009340100000000, -0.0006160700000000 ] - [ 0.0000961100000000, -0.0001740500000000, -0.0006380900000000 ] - [ 0.0002219800000000, 0.0019972300000000, -0.0025238500000000 ] - [ -0.0001257400000000, -0.0001834300000000, -0.0006365400000000 ] - [ 0.0057519200000000, -0.0002333300000000, -0.0100427400000000 ] - [ -0.0003203400000000, 0.0007983200000000, -0.0013397300000000 ] - [ 0.0011596500000000, 0.0003304500000000, 0.0003003700000000 ] - [ 0.0004548400000000, -0.0000821500000000, -0.0006578800000000 ] - [ -0.0003542500000000, -0.0002768900000000, -0.0003739600000000 ] - [ -0.0001297500000000, 0.0000332300000000, -0.0006696100000000 ] - [ -0.0003278100000000, -0.0002897400000000, -0.0000123100000000 ] - [ -0.0000960400000000, 0.0003232000000000, 0.0002653100000000 ] - [ -0.0007461000000000, 0.0010377600000000, 0.0003998000000000 ] - [ -0.0004558300000000, -0.0002289600000000, 0.0003907200000000 ] - [ -0.0018880900000000, -0.0011797900000000, 0.0012519600000000 ] - [ -0.0000706200000000, 0.0001874000000000, 0.0005110000000000 ] - [ 0.0002250800000000, 0.0000362100000000, 0.0002807100000000 ] - [ 0.0001595300000000, -0.0000045400000000, 0.0005391800000000 ] - [ -0.0001249500000000, -0.0003910300000000, -0.0006423700000000 ] - [ 0.0000523100000000, 0.0005690000000000, 0.0004905100000000 ] - [ 0.0003068200000000, -0.0007347400000000, 0.0000015500000000 ] - [ 0.0004035900000000, 0.0003287900000000, -0.0000499300000000 ] - [ -0.0011558300000000, -0.0003775400000000, -0.0000870700000000 ] - [ -0.0002152400000000, -0.0001453600000000, 0.0005217500000000 ] - [ -0.0012208500000000, -0.0004261100000000, 0.0002757600000000 ] - [ -0.0000484400000000, -0.0006994200000000, 0.0001597900000000 ] - [ 0.0000780200000000, 0.0009152500000000, 0.0003255800000000 ] - [ 0.0001697200000000, 0.0009574800000000, 0.0003180700000000 ] - [ 0.0015636500000000, 0.0012255900000000, 0.0014303700000000 ] - [ 0.0003269400000000, 0.0002881300000000, 0.0001418500000000 ] - [ -0.0009176600000000, 0.0005390400000000, -0.0004779600000000 ] - [ -0.0002224200000000, 0.0004161400000000, -0.0002508400000000 ] - [ 0.0005509400000000, -0.0000710100000000, 0.0000383500000000 ] - [ 0.0005804500000000, 0.0001820700000000, 0.0004300300000000 ] - [ -0.0006632900000000, -0.0000669900000000, -0.0001402500000000 ] - [ -0.0005046800000000, 0.0000499400000000, 0.0002808100000000 ] - [ -0.0001728200000000, -0.0001355100000000, -0.0003120500000000 ] - [ -0.0003378900000000, -0.0002775600000000, 0.0002031500000000 ] - [ -0.0002879200000000, 0.0002255100000000, -0.0010023100000000 ] - [ -0.0004976200000000, 0.0001648100000000, 0.0000398400000000 ] - [ -0.0000129300000000, -0.0011961600000000, 0.0011577500000000 ] - [ 0.0012460700000000, 0.0001715300000000, 0.0014853000000000 ] - [ 0.0007090100000000, -0.0009192800000000, 0.0002897200000000 ] - [ 0.0006826600000000, -0.0007080300000000, 0.0003860200000000 ] - [ 0.0007758100000000, 0.0002027500000000, 0.0003276200000000 ] - [ 0.0009316700000000, 0.0002079300000000, 0.0003567000000000 ] - [ 0.0078036600000000, -0.0011573600000000, 0.0083353500000000 ] - [ 0.0002929800000000, -0.0003773100000000, 0.0003319400000000 ] - [ -0.0001136000000000, -0.0009814900000000, 0.0002439100000000 ] - [ 0.0003761200000000, -0.0001136400000000, -0.0002255900000000 ] - [ -0.0004201700000000, 0.0013591100000000, 0.0016568300000000 ] - [ 0.0004434500000000, -0.0005241900000000, 0.0003705800000000 ] - [ 0.0280043500000000, 0.0150266300000000, 0.0065690000000000 ] - [ 0.0006497000000000, -0.0004227100000000, 0.0008477700000000 ] - [ -0.0004315300000000, 0.0000265500000000, -0.0003433100000000 ] - [ -0.0003368400000000, -0.0001578700000000, -0.0000434600000000 ] - [ 0.0000225500000000, -0.0003352800000000, 0.0005516000000000 ] - [ -0.0000051400000000, 0.0002571500000000, 0.0004114500000000 ] - [ 0.0004448200000000, -0.0003346100000000, -0.0000427000000000 ] - [ 0.0000972400000000, -0.0004047700000000, 0.0004323700000000 ] - [ -0.0008395600000000, 0.0003927600000000, 0.0000239500000000 ] - [ -0.0005873300000000, 0.0004533500000000, 0.0001355500000000 ] - [ -0.0007505600000000, 0.0009597500000000, 0.0002979900000000 ] - [ -0.0006873200000000, 0.0007222400000000, 0.0003774400000000 ] - [ 0.0005687300000000, -0.0008975300000000, 0.0000798600000000 ] - [ -0.0002903100000000, -0.0010183800000000, 0.0004238300000000 ] - [ -0.0008290500000000, -0.0001955700000000, 0.0001340800000000 ] - [ -0.0009261100000000, -0.0000189500000000, 0.0005181600000000 ] - [ 0.0001590900000000, 0.0002479200000000, 0.0001076500000000 ] - [ 0.0001267800000000, -0.0002205700000000, 0.0001786000000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004724100000000, 0.0000770000000000, 0.0000884300000000 ] - [ 0.0003820500000000, 0.0002808100000000, 0.0003243600000000 ] - [ -0.0014451000000000, 0.0006446600000000, 0.0006729400000000 ] - [ -0.0005197300000000, 0.0001753900000000, 0.0001782800000000 ] - [ -0.0020286300000000, 0.0012912000000000, -0.0024369800000000 ] - [ 0.0000129600000000, -0.0004299400000000, 0.0007026100000000 ] - [ -0.0003856200000000, -0.0001427300000000, 0.0001271500000000 ] - [ -0.0004190300000000, -0.0002880500000000, 0.0002910100000000 ] - [ -0.0006050600000000, 0.0003206100000000, 0.0003455800000000 ] - [ -0.0000166000000000, 0.0005987600000000, 0.0002035300000000 ] - [ 0.0000782000000000, -0.0013419900000000, -0.0018166800000000 ] - [ 0.0004283200000000, -0.0001511700000000, 0.0003862900000000 ] - [ 0.0013263900000000, -0.0018404700000000, 0.0006804200000000 ] - [ 0.0009082900000000, 0.0024611100000000, 0.0005932300000000 ] - [ -0.0014968800000000, -0.0000131400000000, -0.0008200300000000 ] - [ -0.0001443900000000, 0.0000271900000000, -0.0000453900000000 ] - [ 0.0004739800000000, -0.0009262100000000, 0.0244625300000000 ] - [ 0.0005363100000000, 0.0003020200000000, 0.0004262000000000 ] - [ -0.0006931000000000, 0.0005058600000000, -0.0003177400000000 ] - [ -0.0007018100000000, 0.0002138000000000, -0.0003486200000000 ] - [ 0.0001172900000000, -0.0000569800000000, -0.0006216800000000 ] - [ 0.0001867300000000, -0.0002612900000000, -0.0006082500000000 ] - [ -0.0002159000000000, 0.0002282300000000, 0.0005557900000000 ] - [ 0.0000185200000000, -0.0003407200000000, 0.0003294900000000 ] - [ 0.0000530700000000, 0.0000858400000000, 0.0003852400000000 ] - [ -0.0000023700000000, 0.0003323200000000, 0.0003731100000000 ] - [ -0.0008550900000000, 0.0002251200000000, 0.0001568000000000 ] - [ -0.0004296400000000, 0.0001477000000000, 0.0003989400000000 ] - [ -0.0010901100000000, 0.0002351300000000, 0.0006271700000000 ] - [ 0.0005020500000000, -0.0002495700000000, 0.0003265500000000 ] - [ 0.0443018400000000, 0.0139487300000000, -0.0100803800000000 ] - [ -0.0000594100000000, 0.0003324100000000, 0.0008135900000000 ] - [ 0.0003609500000000, 0.0005097300000000, -0.0000576900000000 ] - [ 0.0002604200000000, -0.0001792400000000, 0.0005041200000000 ] - [ -0.0000926500000000, 0.0009292400000000, -0.0003995100000000 ] - [ -0.0000741200000000, 0.0008478700000000, -0.0003055500000000 ] - [ -0.0001549600000000, -0.0000187100000000, -0.0006277400000000 ] - [ -0.0001760700000000, 0.0002973800000000, -0.0006132900000000 ] - [ -0.0006045700000000, -0.0003216000000000, 0.0002223100000000 ] - [ -0.0003985200000000, -0.0002411500000000, 0.0003479100000000 ] - [ 0.0000705300000000, -0.0008403500000000, -0.0003458400000000 ] - [ 0.0000824500000000, -0.0008571700000000, -0.0003521100000000 ] - [ -0.0001096500000000, -0.0003500900000000, 0.0001960800000000 ] - [ -0.0001092000000000, -0.0003066700000000, 0.0001964100000000 ] - [ -0.0006447800000000, -0.0005755900000000, -0.0004333900000000 ] - [ -0.0006802800000000, -0.0004903100000000, -0.0003201600000000 ] - [ 0.0006591400000000, 0.0005421700000000, -0.0003834100000000 ] - [ 0.0006815400000000, 0.0005057300000000, -0.0003649100000000 ] - [ -0.0004753400000000, -0.0000408700000000, -0.0006403900000000 ] - [ -0.0003402300000000, -0.0000419600000000, -0.0006105700000000 ] - [ -0.0006331200000000, -0.0010801500000000, 0.0004000800000000 ] - [ -0.0002796700000000, -0.0001338700000000, 0.0005567000000000 ] - [ 0.0002716300000000, 0.0001648500000000, 0.0005259700000000 ] - [ 0.0002950700000000, 0.0001237200000000, 0.0002146400000000 ] - [ 0.0002920300000000, 0.0000764800000000, -0.0006233000000000 ] - [ 0.0002990500000000, 0.0000981100000000, -0.0005986800000000 ] - [ 0.0007174200000000, -0.0003461200000000, -0.0003872200000000 ] - [ 0.0007517300000000, -0.0003537300000000, -0.0003354700000000 ] - [ -0.0002844400000000, 0.0002121700000000, 0.0002313500000000 ] - [ -0.0003075500000000, 0.0001699300000000, 0.0005708200000000 ] - [ 0.0012490000000000, 0.0012052000000000, -0.0006470400000000 ] - [ 0.0001015400000000, 0.0002537900000000, -0.0005601900000000 ] - [ -0.0003281900000000, -0.0004438000000000, -0.0006529200000000 ] - [ -0.0002481500000000, -0.0003755900000000, -0.0006264400000000 ] - [ -0.0003190200000000, 0.0004231700000000, -0.0014040200000000 ] - [ -0.0003556000000000, 0.0005024100000000, -0.0002074100000000 ] - [ 0.0004134000000000, -0.0012586100000000, -0.0003928900000000 ] - [ 0.0004000800000000, -0.0001511900000000, -0.0003730000000000 ] - [ -0.0002641300000000, -0.0026120900000000, 0.0015314700000000 ] - [ 0.0000938800000000, -0.0004035200000000, -0.0003765100000000 ] - [ -0.0063409500000000, -0.0000308900000000, 0.0089369300000000 ] - [ -0.0002329500000000, -0.0010678200000000, 0.0003420000000000 ] - [ -0.0006392300000000, -0.0000518200000000, -0.0013041600000000 ] - [ 0.0000610300000000, 0.0003551100000000, -0.0003529700000000 ] - [ -0.0001494600000000, 0.0005895500000000, -0.0006317700000000 ] - [ -0.0003715000000000, 0.0002854000000000, -0.0003377800000000 ] - [ -0.0000421800000000, 0.0008251900000000, 0.0002462900000000 ] - [ -0.0002728900000000, 0.0002128300000000, -0.0000313500000000 ] - [ -0.0005732100000000, -0.0014318400000000, -0.0000753200000000 ] - [ -0.0008578300000000, -0.0001717500000000, -0.0000650000000000 ] - [ 0.0017419200000000, 0.0016893900000000, -0.0004908700000000 ] - [ -0.0001001600000000, 0.0003008300000000, 0.0002592400000000 ] - [ 0.0002890400000000, -0.0001322400000000, 0.0004853400000000 ] - [ 0.0003533400000000, -0.0000941000000000, 0.0002261400000000 ] - [ 0.0004357100000000, 0.0017227400000000, 0.0009636600000000 ] - [ 0.0002499100000000, 0.0007756100000000, -0.0001655000000000 ] - [ 0.0001923900000000, 0.0012664800000000, -0.0004854800000000 ] - [ 0.0000976900000000, 0.0002033400000000, -0.0004325000000000 ] - [ 0.0008177600000000, -0.0000151600000000, 0.0008524100000000 ] - [ -0.0001134200000000, -0.0002445300000000, 0.0002443700000000 ] - [ 0.0009245100000000, -0.0009175500000000, 0.0000521500000000 ] - [ -0.0002496500000000, -0.0006444700000000, 0.0001634300000000 ] - [ 0.0004053900000000, 0.0009322600000000, 0.0003437900000000 ] - [ 0.0003156200000000, 0.0008906300000000, 0.0003522000000000 ] - [ -0.0012786900000000, -0.0005991500000000, -0.0012167200000000 ] - [ -0.0000453400000000, 0.0003017100000000, 0.0000915200000000 ] - [ 0.0007095200000000, 0.0001543000000000, -0.0000110600000000 ] - [ 0.0000156400000000, 0.0002773700000000, -0.0002322700000000 ] - [ 0.0007601300000000, 0.0004758500000000, 0.0002912300000000 ] - [ 0.0007313100000000, 0.0002217800000000, -0.0001096800000000 ] - [ 0.0000221400000000, 0.0000106400000000, 0.0003685200000000 ] - [ -0.0001357400000000, -0.0001025100000000, -0.0000503100000000 ] - [ -0.0001170000000000, -0.0004576000000000, 0.0005513600000000 ] - [ 0.0000495800000000, -0.0003121600000000, 0.0000330400000000 ] - [ -0.0004225000000000, -0.0000596600000000, 0.0005137700000000 ] - [ -0.0002069600000000, 0.0000021400000000, -0.0005243200000000 ] - [ 0.0003865400000000, 0.0015960200000000, -0.0003972000000000 ] - [ -0.0009098200000000, 0.0002181600000000, -0.0007457300000000 ] - [ 0.0006452600000000, -0.0004212500000000, 0.0003796100000000 ] - [ 0.0006726200000000, -0.0006375100000000, 0.0002835500000000 ] - [ 0.0010603000000000, 0.0002806700000000, 0.0003351000000000 ] - [ 0.0009047500000000, 0.0002764900000000, 0.0003040200000000 ] - [ -0.0075219900000000, 0.0004647300000000, -0.0088559600000000 ] - [ -0.0000662300000000, -0.0003221800000000, -0.0008061300000000 ] - [ 0.0008238900000000, 0.0008262800000000, -0.0007387000000000 ] - [ 0.0003214800000000, -0.0000548400000000, -0.0002587000000000 ] - [ 0.0010954500000000, -0.0013337900000000, -0.0013970700000000 ] - [ 0.0002056800000000, 0.0005751400000000, -0.0001422900000000 ] - [ -0.0267649000000000, -0.0154675100000000, -0.0094169900000000 ] - [ 0.0003543700000000, -0.0005090300000000, -0.0005210100000000 ] - [ -0.0000649400000000, -0.0005524400000000, -0.0001449100000000 ] - [ -0.0001595400000000, -0.0003719700000000, -0.0004422900000000 ] - [ -0.0005334000000000, 0.0004365500000000, 0.0002160900000000 ] - [ -0.0005030100000000, -0.0001480900000000, 0.0003555000000000 ] - [ -0.0002770800000000, -0.0001599500000000, 0.0008143200000000 ] - [ 0.0000641900000000, -0.0000820300000000, 0.0003363100000000 ] - [ -0.0001656700000000, 0.0005367200000000, 0.0003048600000000 ] - [ -0.0004202900000000, 0.0004765300000000, 0.0001862000000000 ] - [ -0.0006051500000000, 0.0003839600000000, 0.0003713500000000 ] - [ -0.0006687500000000, 0.0006231000000000, 0.0002910800000000 ] - [ -0.0010549000000000, -0.0009569600000000, 0.0005871600000000 ] - [ -0.0001950600000000, -0.0008310100000000, 0.0002448200000000 ] - [ -0.0010051600000000, -0.0002884000000000, 0.0005274300000000 ] - [ -0.0009092000000000, -0.0004664600000000, 0.0001436400000000 ] - [ 0.0002132600000000, -0.0007726800000000, 0.0001215800000000 ] - [ 0.0002447900000000, -0.0003093300000000, 0.0000523500000000 ]- atom: 31 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0005202500000000, 0.0004589600000000, 0.0002537300000000 ] - [ 0.0004308300000000, 0.0003490100000000, 0.0002030900000000 ] - [ -0.0014358200000000, 0.0003078600000000, 0.0007213000000000 ] - [ -0.0005418000000000, 0.0001633000000000, 0.0000861400000000 ] - [ -0.0026025400000000, 0.0004520600000000, -0.0021104000000000 ] - [ 0.0000370700000000, -0.0005202100000000, 0.0005104200000000 ] - [ -0.0004709800000000, 0.0000244800000000, 0.0001016000000000 ] - [ -0.0004012300000000, -0.0003035100000000, 0.0003085300000000 ] - [ -0.0002479500000000, 0.0003435300000000, 0.0002001400000000 ] - [ -0.0000759400000000, 0.0005519200000000, 0.0002646200000000 ] - [ 0.0013943600000000, -0.0008844300000000, 0.0002535400000000 ] - [ 0.0004237300000000, -0.0001413800000000, 0.0003269600000000 ] - [ 0.0012316500000000, -0.0016868200000000, -0.0011632000000000 ] - [ 0.0000688200000000, 0.0005155200000000, 0.0044517900000000 ] - [ -0.0007022200000000, -0.0000604000000000, -0.0006476400000000 ] - [ -0.0000534900000000, -0.0000226700000000, -0.0001837800000000 ] - [ -0.0006210100000000, -0.0005834500000000, -0.0082518500000000 ] - [ 0.0004251800000000, 0.0002017400000000, 0.0004021400000000 ] - [ -0.0008001800000000, 0.0004931700000000, -0.0001977500000000 ] - [ -0.0006955500000000, 0.0002291500000000, -0.0003702200000000 ] - [ 0.0000650900000000, 0.0000652300000000, -0.0006195300000000 ] - [ 0.0001991200000000, -0.0003010700000000, -0.0006129000000000 ] - [ -0.0002574100000000, 0.0008415900000000, 0.0006854400000000 ] - [ -0.0000022500000000, -0.0003180800000000, 0.0002954000000000 ] - [ 0.0000329200000000, 0.0004706700000000, 0.0003202100000000 ] - [ -0.0000018100000000, 0.0003497400000000, 0.0003589900000000 ] - [ 0.0000360700000000, -0.0001426200000000, 0.0004136800000000 ] - [ -0.0003866600000000, 0.0001521000000000, 0.0003483800000000 ] - [ -0.0010568500000000, 0.0002039400000000, 0.0005768100000000 ] - [ 0.0003752800000000, -0.0002087200000000, 0.0003381800000000 ] - [ 0.0104283600000000, -0.0314090300000000, 0.0191018500000000 ] - [ -0.0000036800000000, 0.0003287200000000, 0.0005049700000000 ] - [ -0.0003292600000000, 0.0012835100000000, -0.0001306700000000 ] - [ 0.0002467600000000, -0.0002101000000000, 0.0003105000000000 ] - [ -0.0001865200000000, 0.0010215200000000, -0.0004083700000000 ] - [ -0.0000842600000000, 0.0008633000000000, -0.0003257300000000 ] - [ -0.0001171500000000, 0.0001640500000000, -0.0007075800000000 ] - [ -0.0001532900000000, 0.0003148700000000, -0.0005629500000000 ] - [ -0.0006791900000000, -0.0004778200000000, 0.0002118100000000 ] - [ -0.0003309300000000, -0.0002023000000000, 0.0003554000000000 ] - [ 0.0001170100000000, -0.0007471500000000, -0.0003260100000000 ] - [ 0.0000727700000000, -0.0008110100000000, -0.0003527400000000 ] - [ -0.0001029800000000, -0.0003527300000000, 0.0001833000000000 ] - [ -0.0000653600000000, -0.0003312200000000, 0.0002912000000000 ] - [ -0.0005801900000000, -0.0001871400000000, -0.0005318700000000 ] - [ -0.0006806000000000, -0.0004811100000000, -0.0003328800000000 ] - [ 0.0006379000000000, 0.0005750500000000, -0.0003908100000000 ] - [ 0.0006731600000000, 0.0005333300000000, -0.0003581800000000 ] - [ -0.0002521800000000, 0.0000342100000000, -0.0006450100000000 ] - [ -0.0003754700000000, -0.0000212000000000, -0.0006186900000000 ] - [ 0.0003711700000000, 0.0001592400000000, 0.0000145200000000 ] - [ -0.0002995300000000, -0.0001121400000000, 0.0003442600000000 ] - [ 0.0002776400000000, 0.0001532800000000, 0.0004869100000000 ] - [ 0.0002879300000000, 0.0001331800000000, 0.0002858300000000 ] - [ 0.0000964600000000, 0.0001480700000000, -0.0005592500000000 ] - [ 0.0002573500000000, 0.0001183100000000, -0.0006141300000000 ] - [ 0.0007335000000000, -0.0002582100000000, -0.0003954300000000 ] - [ 0.0007567400000000, -0.0003427600000000, -0.0003558200000000 ] - [ -0.0002589200000000, 0.0002181700000000, 0.0002551400000000 ] - [ -0.0002712500000000, 0.0001982100000000, 0.0004230300000000 ] - [ 0.0000848000000000, 0.0016203100000000, -0.0000044300000000 ] - [ 0.0001504600000000, 0.0002927500000000, -0.0005829500000000 ] - [ -0.0002123200000000, -0.0003605200000000, -0.0006368100000000 ] - [ -0.0002273500000000, -0.0003561400000000, -0.0006380800000000 ] - [ -0.0016273700000000, -0.0006845300000000, -0.0017834600000000 ] - [ -0.0001842500000000, 0.0003376000000000, -0.0003936100000000 ] - [ 0.0002437000000000, 0.0003796100000000, -0.0005591600000000 ] - [ 0.0002754700000000, -0.0003020100000000, -0.0004539700000000 ] - [ 0.0004436900000000, -0.0009153500000000, 0.0002298300000000 ] - [ 0.0001792000000000, -0.0003858700000000, -0.0003788000000000 ] - [ -0.0019347700000000, -0.0021650500000000, 0.0080820300000000 ] - [ -0.0002738700000000, -0.0005015000000000, -0.0001282100000000 ] - [ -0.0001138500000000, -0.0002102800000000, -0.0010674600000000 ] - [ 0.0001210000000000, 0.0001976900000000, -0.0004754800000000 ] - [ -0.0001478300000000, 0.0007618200000000, -0.0005978300000000 ] - [ -0.0003035700000000, 0.0003357900000000, -0.0004300000000000 ] - [ -0.0002913100000000, 0.0000839700000000, 0.0000893200000000 ] - [ -0.0002245200000000, 0.0002807900000000, 0.0000829100000000 ] - [ -0.0001874300000000, -0.0021478700000000, -0.0008519300000000 ] - [ -0.0008272000000000, -0.0001856000000000, 0.0001460500000000 ] - [ 0.0004695600000000, 0.0012041000000000, 0.0001693400000000 ] - [ -0.0001375300000000, 0.0003258900000000, 0.0002974300000000 ] - [ 0.0002872700000000, -0.0002900700000000, 0.0004093000000000 ] - [ 0.0003099500000000, -0.0001025900000000, 0.0003054000000000 ] - [ -0.0007160600000000, 0.0007720400000000, -0.0002327200000000 ] - [ 0.0002078100000000, 0.0007312400000000, 0.0001042000000000 ] - [ 0.0000042700000000, 0.0000759100000000, 0.0002459300000000 ] - [ 0.0004354900000000, 0.0003144500000000, -0.0001667300000000 ] - [ 0.0003409700000000, 0.0000813800000000, 0.0006729900000000 ] - [ -0.0001030700000000, -0.0001854100000000, 0.0003415600000000 ] - [ 0.0008801000000000, -0.0009094600000000, 0.0000404100000000 ] - [ -0.0001684300000000, -0.0006704700000000, 0.0001350200000000 ] - [ 0.0003517900000000, 0.0008575400000000, 0.0003171100000000 ] - [ 0.0003265900000000, 0.0008591600000000, 0.0003882600000000 ] - [ 0.0005885000000000, 0.0009687900000000, 0.0002971900000000 ] - [ -0.0000469700000000, 0.0003354400000000, 0.0000025300000000 ] - [ 0.0002068800000000, 0.0003692000000000, -0.0001165300000000 ] - [ -0.0000214600000000, 0.0003308500000000, -0.0001911400000000 ] - [ 0.0006326200000000, 0.0001941300000000, 0.0002508000000000 ] - [ 0.0006734500000000, 0.0002199000000000, 0.0000368200000000 ] - [ -0.0004950300000000, 0.0002231400000000, 0.0002306500000000 ] - [ -0.0002284300000000, -0.0000326500000000, 0.0000736400000000 ] - [ 0.0003825700000000, -0.0002736100000000, 0.0003587300000000 ] - [ -0.0001540700000000, -0.0002782100000000, 0.0001784600000000 ] - [ 0.0006137100000000, -0.0000313000000000, 0.0012167500000000 ] - [ -0.0003879800000000, 0.0000900500000000, -0.0003057600000000 ] - [ 0.0004163400000000, 0.0009646100000000, -0.0005460700000000 ] - [ -0.0003151500000000, 0.0001557000000000, -0.0001879300000000 ] - [ 0.0005815600000000, -0.0006524000000000, 0.0004315100000000 ] - [ 0.0006090700000000, -0.0007170600000000, 0.0002712200000000 ] - [ 0.0008629200000000, 0.0001013000000000, 0.0003686500000000 ] - [ 0.0009223900000000, 0.0002411100000000, 0.0003123400000000 ] - [ -0.0059940000000000, 0.0096404500000000, -0.0064979100000000 ] - [ 0.0000028200000000, -0.0004450800000000, -0.0004930800000000 ] - [ 0.0006866600000000, 0.0001990400000000, -0.0005051200000000 ] - [ 0.0002821400000000, -0.0000868100000000, -0.0002551600000000 ] - [ 0.0009239300000000, 0.0002508000000000, -0.0026451600000000 ] - [ 0.0003186500000000, 0.0002567000000000, 0.0000298100000000 ] - [ 0.0006628600000000, 0.0213130000000000, -0.0111126300000000 ] - [ 0.0004153400000000, -0.0004054800000000, -0.0001367900000000 ] - [ -0.0000788800000000, -0.0006865100000000, -0.0001980000000000 ] - [ -0.0001865300000000, -0.0003786100000000, -0.0003928400000000 ] - [ -0.0002689600000000, 0.0000313400000000, 0.0005624800000000 ] - [ -0.0002786200000000, 0.0003516000000000, 0.0001988600000000 ] - [ -0.0000911100000000, 0.0003896800000000, 0.0010274200000000 ] - [ -0.0001866700000000, 0.0001270300000000, 0.0004808300000000 ] - [ -0.0001971000000000, 0.0006793800000000, 0.0002904300000000 ] - [ -0.0004917200000000, 0.0004768600000000, 0.0001350100000000 ] - [ -0.0004646600000000, 0.0002181100000000, 0.0003749200000000 ] - [ -0.0006618600000000, 0.0006286100000000, 0.0003047000000000 ] - [ -0.0005063900000000, -0.0019637500000000, -0.0001084200000000 ] - [ -0.0002252000000000, -0.0008720400000000, 0.0002800600000000 ] - [ -0.0007687900000000, -0.0004478300000000, 0.0005740100000000 ] - [ -0.0008320200000000, -0.0004346000000000, 0.0001387500000000 ] - [ 0.0003377500000000, -0.0011146700000000, 0.0000387500000000 ] - [ 0.0002574100000000, -0.0003792800000000, 0.0001353000000000 ]- atom: 31 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0002885500000000, 0.0002287600000000, 0.0001805300000000 ] - [ 0.0003745900000000, 0.0003379300000000, 0.0002305300000000 ] - [ 0.0004345000000000, 0.0000346500000000, -0.0002865100000000 ] - [ -0.0004483000000000, 0.0001816000000000, 0.0003441700000000 ] - [ 0.0028392900000000, -0.0015246200000000, 0.0025759700000000 ] - [ 0.0001524500000000, -0.0005518200000000, -0.0000635000000000 ] - [ -0.0003346500000000, -0.0007081500000000, 0.0003296300000000 ] - [ -0.0004045100000000, -0.0003824700000000, 0.0001266700000000 ] - [ 0.0000529300000000, 0.0007296500000000, 0.0002445400000000 ] - [ -0.0001162300000000, 0.0005219700000000, 0.0001810900000000 ] - [ -0.0003897800000000, 0.0005493800000000, 0.0001917500000000 ] - [ 0.0005720600000000, -0.0002023900000000, 0.0000994900000000 ] - [ -0.0012103400000000, 0.0016587400000000, 0.0005261000000000 ] - [ -0.0000270800000000, -0.0005676400000000, -0.0050530500000000 ] - [ 0.0007074400000000, 0.0000648300000000, 0.0000130300000000 ] - [ 0.0000530600000000, 0.0000254600000000, -0.0004509800000000 ] - [ 0.0011288900000000, 0.0010878500000000, 0.0089451300000000 ] - [ 0.0002321300000000, 0.0001979600000000, 0.0002910700000000 ] - [ -0.0007313900000000, 0.0002040200000000, -0.0005235500000000 ] - [ -0.0008373900000000, 0.0004678100000000, -0.0003483700000000 ] - [ 0.0003396800000000, -0.0007144500000000, -0.0006376900000000 ] - [ 0.0002071600000000, -0.0003493200000000, -0.0006441000000000 ] - [ 0.0002711100000000, -0.0015938000000000, 0.0000112400000000 ] - [ 0.0000202700000000, -0.0004485800000000, 0.0003962800000000 ] - [ -0.0000506300000000, 0.0002962100000000, 0.0003721100000000 ] - [ -0.0000160400000000, 0.0004174000000000, 0.0003332800000000 ] - [ -0.0007118700000000, 0.0005104900000000, 0.0002773000000000 ] - [ -0.0002867500000000, 0.0002152900000000, 0.0003435600000000 ] - [ 0.0017361200000000, -0.0005742900000000, 0.0001133700000000 ] - [ 0.0002942300000000, -0.0001581500000000, 0.0003545400000000 ] - [ -0.0103680000000000, 0.0315981800000000, -0.0151703700000000 ] - [ 0.0001133300000000, 0.0003330600000000, 0.0000584400000000 ] - [ 0.0008432000000000, -0.0016896400000000, 0.0006883700000000 ] - [ 0.0002732400000000, -0.0002160900000000, 0.0002546500000000 ] - [ 0.0000230200000000, 0.0006516100000000, -0.0003122600000000 ] - [ -0.0000792700000000, 0.0008112100000000, -0.0003944400000000 ] - [ -0.0002913700000000, 0.0004902800000000, -0.0005488200000000 ] - [ -0.0002532100000000, 0.0003363800000000, -0.0006944400000000 ] - [ 0.0000208000000000, 0.0000756300000000, 0.0004792900000000 ] - [ -0.0003244800000000, -0.0001965400000000, 0.0003368400000000 ] - [ 0.0000457400000000, -0.0009270600000000, -0.0003946000000000 ] - [ 0.0000897600000000, -0.0008631600000000, -0.0003670200000000 ] - [ -0.0000064700000000, -0.0003091400000000, 0.0003815600000000 ] - [ -0.0000436200000000, -0.0003308000000000, 0.0002751200000000 ] - [ -0.0007895000000000, -0.0007947400000000, -0.0001877800000000 ] - [ -0.0006871300000000, -0.0004978200000000, -0.0003874900000000 ] - [ 0.0007292400000000, 0.0004042300000000, -0.0003303700000000 ] - [ 0.0006940700000000, 0.0004451900000000, -0.0003614900000000 ] - [ -0.0005156700000000, -0.0000623500000000, -0.0006123900000000 ] - [ -0.0003915400000000, -0.0000065800000000, -0.0006387600000000 ] - [ -0.0009966100000000, -0.0004047800000000, 0.0005532800000000 ] - [ -0.0003271300000000, -0.0001267300000000, 0.0002236100000000 ] - [ 0.0003486700000000, 0.0000854100000000, 0.0000775000000000 ] - [ 0.0003389500000000, 0.0001058600000000, 0.0002829900000000 ] - [ 0.0006724700000000, -0.0001197000000000, -0.0006989500000000 ] - [ 0.0005089200000000, -0.0000900600000000, -0.0006436400000000 ] - [ 0.0007970400000000, -0.0004388000000000, -0.0003245100000000 ] - [ 0.0007744700000000, -0.0003538800000000, -0.0003642300000000 ] - [ -0.0002607100000000, 0.0002078400000000, 0.0003094300000000 ] - [ -0.0002479700000000, 0.0002280400000000, 0.0001410100000000 ] - [ 0.0002742700000000, -0.0009536800000000, -0.0012646300000000 ] - [ 0.0002099000000000, 0.0003865400000000, -0.0006738500000000 ] - [ -0.0001493000000000, -0.0003181800000000, -0.0006201200000000 ] - [ -0.0001340300000000, -0.0003223400000000, -0.0006189700000000 ] - [ 0.0016409900000000, 0.0012495700000000, 0.0007513200000000 ] - [ 0.0002201800000000, 0.0002526400000000, -0.0006192900000000 ] - [ 0.0002583200000000, -0.0007047300000000, -0.0004482600000000 ] - [ 0.0002231800000000, -0.0000174800000000, -0.0005554000000000 ] - [ -0.0004618500000000, 0.0003336400000000, -0.0012471800000000 ] - [ -0.0002111400000000, -0.0002016300000000, -0.0006338900000000 ] - [ 0.0013178200000000, 0.0020323900000000, -0.0091610600000000 ] - [ -0.0002640700000000, 0.0002422200000000, -0.0008820200000000 ] - [ 0.0006315300000000, 0.0004812900000000, 0.0000562400000000 ] - [ 0.0003951600000000, 0.0000732700000000, -0.0005365400000000 ] - [ -0.0003465100000000, -0.0004350200000000, -0.0004152100000000 ] - [ -0.0001954100000000, -0.0000135000000000, -0.0005789200000000 ] - [ -0.0000780400000000, 0.0004501400000000, 0.0001428900000000 ] - [ -0.0001454200000000, 0.0002505200000000, 0.0001492700000000 ] - [ -0.0011230600000000, 0.0017251000000000, 0.0011670400000000 ] - [ -0.0004865500000000, -0.0002151100000000, 0.0001797400000000 ] - [ -0.0006522400000000, -0.0007136600000000, 0.0006043700000000 ] - [ -0.0000330600000000, 0.0001626800000000, 0.0004738700000000 ] - [ 0.0002207400000000, 0.0001887600000000, 0.0003601600000000 ] - [ 0.0002009700000000, 0.0000029600000000, 0.0004614500000000 ] - [ 0.0010188900000000, 0.0005835200000000, 0.0005595700000000 ] - [ 0.0000932500000000, 0.0006144800000000, 0.0002195300000000 ] - [ 0.0004895000000000, 0.0004608400000000, -0.0007312700000000 ] - [ 0.0000567400000000, 0.0002147100000000, -0.0003221300000000 ] - [ -0.0006701200000000, -0.0004723700000000, 0.0000960500000000 ] - [ -0.0002247100000000, -0.0002032700000000, 0.0004262700000000 ] - [ -0.0011856100000000, -0.0004347300000000, 0.0002864900000000 ] - [ -0.0001305700000000, -0.0006751700000000, 0.0001876600000000 ] - [ 0.0001359000000000, 0.0009940600000000, 0.0003510800000000 ] - [ 0.0001602900000000, 0.0009913400000000, 0.0002811800000000 ] - [ -0.0003158900000000, -0.0004038000000000, -0.0000634400000000 ] - [ 0.0003291400000000, 0.0002528800000000, 0.0002291500000000 ] - [ -0.0004153600000000, 0.0003264100000000, -0.0003681800000000 ] - [ -0.0001862900000000, 0.0003639400000000, -0.0002926100000000 ] - [ 0.0006779000000000, 0.0002066800000000, 0.0000750400000000 ] - [ 0.0006375200000000, 0.0001809300000000, 0.0002896400000000 ] - [ -0.0001450900000000, -0.0002730600000000, 0.0000001200000000 ] - [ -0.0004118500000000, -0.0000172500000000, 0.0001565100000000 ] - [ -0.0006618000000000, -0.0003107200000000, -0.0001219300000000 ] - [ -0.0001302400000000, -0.0003107900000000, 0.0000557500000000 ] - [ -0.0013013000000000, 0.0001988000000000, -0.0016807200000000 ] - [ -0.0003149000000000, 0.0000774800000000, -0.0001810600000000 ] - [ -0.0000342400000000, -0.0005726900000000, 0.0013010500000000 ] - [ 0.0006523400000000, 0.0002324000000000, 0.0009526300000000 ] - [ 0.0007774000000000, -0.0006964000000000, 0.0002358000000000 ] - [ 0.0007480500000000, -0.0006302100000000, 0.0003976900000000 ] - [ 0.0009763100000000, 0.0003849000000000, 0.0002920000000000 ] - [ 0.0009155500000000, 0.0002439000000000, 0.0003476400000000 ] - [ 0.0062512800000000, -0.0104465200000000, 0.0059554500000000 ] - [ 0.0002182000000000, -0.0002495300000000, 0.0000180900000000 ] - [ 0.0000061000000000, -0.0003697000000000, 0.0000199200000000 ] - [ 0.0004163200000000, -0.0000812800000000, -0.0002304500000000 ] - [ -0.0002705000000000, -0.0002440000000000, 0.0029241200000000 ] - [ 0.0003283500000000, -0.0002131000000000, 0.0002012800000000 ] - [ 0.0004521600000000, -0.0218072800000000, 0.0081027600000000 ] - [ 0.0005889100000000, -0.0005249600000000, 0.0004618100000000 ] - [ -0.0004213500000000, 0.0001505200000000, -0.0002889900000000 ] - [ -0.0003102000000000, -0.0001542100000000, -0.0000928000000000 ] - [ -0.0002452300000000, 0.0000703300000000, 0.0002045100000000 ] - [ -0.0002326200000000, -0.0002470500000000, 0.0005684700000000 ] - [ 0.0002586500000000, -0.0008638300000000, -0.0002482700000000 ] - [ 0.0003538000000000, -0.0006101400000000, 0.0002825600000000 ] - [ -0.0008067400000000, 0.0002548900000000, 0.0000355500000000 ] - [ -0.0005143300000000, 0.0004555300000000, 0.0001895100000000 ] - [ -0.0008910900000000, 0.0011276000000000, 0.0002940300000000 ] - [ -0.0006947700000000, 0.0007174500000000, 0.0003621300000000 ] - [ 0.0000251800000000, 0.0001154100000000, 0.0007825900000000 ] - [ -0.0002600600000000, -0.0009797100000000, 0.0003872200000000 ] - [ -0.0010717400000000, -0.0000320500000000, 0.0000839100000000 ] - [ -0.0010050400000000, -0.0000517000000000, 0.0005229200000000 ] - [ 0.0000297000000000, 0.0005736600000000, 0.0001920700000000 ] - [ 0.0001121000000000, -0.0001529700000000, 0.0000969400000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004169100000000, 0.0003879200000000, -0.0003801500000000 ] - [ 0.0003086400000000, 0.0001713700000000, 0.0007596800000000 ] - [ -0.0019864600000000, 0.0009351300000000, -0.0004382100000000 ] - [ -0.0002606900000000, 0.0000651300000000, 0.0009664500000000 ] - [ 0.0038346500000000, -0.0025376800000000, -0.0016885500000000 ] - [ -0.0002564000000000, 0.0001705400000000, 0.0023008400000000 ] - [ -0.0004866700000000, -0.0003533700000000, -0.0001645000000000 ] - [ -0.0004545200000000, -0.0000818900000000, 0.0006156900000000 ] - [ -0.0013557300000000, -0.0002914800000000, -0.0005641900000000 ] - [ 0.0003043400000000, 0.0006219700000000, 0.0007115700000000 ] - [ 0.0039130600000000, 0.0016013000000000, -0.0002148400000000 ] - [ -0.0002118800000000, -0.0005720500000000, 0.0018260100000000 ] - [ 0.0022836200000000, -0.0103113800000000, 0.0070255700000000 ] - [ 0.0028759800000000, 0.0112359400000000, 0.0105967400000000 ] - [ -0.0018851700000000, 0.0000224900000000, -0.0030295200000000 ] - [ -0.0002667500000000, 0.0001253100000000, 0.0015404000000000 ] - [ -0.0071202300000000, -0.0080896600000000, 0.0081444900000000 ] - [ 0.0009864500000000, 0.0006662000000000, 0.0008668900000000 ] - [ -0.0006526300000000, 0.0008703800000000, -0.0001738400000000 ] - [ -0.0006210600000000, -0.0000846700000000, -0.0001596200000000 ] - [ 0.0002380900000000, -0.0005421600000000, -0.0007891200000000 ] - [ 0.0001273500000000, 0.0001272800000000, -0.0004882000000000 ] - [ -0.0003049900000000, 0.0007577600000000, 0.0008355900000000 ] - [ 0.0000470000000000, -0.0005651100000000, 0.0003243800000000 ] - [ 0.0001080200000000, 0.0000004400000000, 0.0003002000000000 ] - [ -0.0000567400000000, 0.0004617800000000, 0.0004535500000000 ] - [ 0.0007049100000000, -0.0000852300000000, 0.0005308100000000 ] - [ -0.0007061600000000, -0.0000457600000000, 0.0005309500000000 ] - [ -0.0032648800000000, 0.0008820200000000, 0.0010211900000000 ] - [ 0.0010030700000000, -0.0004156400000000, 0.0003882600000000 ] - [ 0.0128361200000000, 0.0280969600000000, -0.3255767600000000 ] - [ -0.0004706400000000, 0.0002819900000000, 0.0030933400000000 ] - [ -0.0000060800000000, 0.0000746200000000, -0.0025788800000000 ] - [ 0.0003195500000000, 0.0000648000000000, 0.0020260000000000 ] - [ -0.0001548800000000, 0.0009869200000000, -0.0007923200000000 ] - [ -0.0000354400000000, 0.0008650000000000, -0.0000501000000000 ] - [ 0.0000194400000000, -0.0012186500000000, -0.0006560400000000 ] - [ -0.0001456400000000, 0.0005193500000000, -0.0004892100000000 ] - [ -0.0000366300000000, 0.0000670900000000, 0.0002413700000000 ] - [ -0.0007752900000000, -0.0005088000000000, 0.0003833800000000 ] - [ 0.0000906500000000, -0.0007908100000000, -0.0003596300000000 ] - [ 0.0001143300000000, -0.0008591500000000, -0.0002193800000000 ] - [ -0.0001421200000000, -0.0003906200000000, 0.0002801700000000 ] - [ -0.0001393700000000, -0.0002664600000000, 0.0002803800000000 ] - [ -0.0005284600000000, -0.0008930800000000, -0.0010261000000000 ] - [ -0.0007255300000000, -0.0004688700000000, -0.0001099500000000 ] - [ 0.0007503700000000, 0.0005394100000000, -0.0003825400000000 ] - [ 0.0006326100000000, 0.0004597200000000, -0.0002965800000000 ] - [ -0.0005763700000000, 0.0000845600000000, -0.0008344200000000 ] - [ -0.0001398000000000, -0.0001368000000000, -0.0004641800000000 ] - [ -0.0002477200000000, 0.0003085400000000, -0.0025770100000000 ] - [ -0.0001214800000000, -0.0002617300000000, 0.0020263300000000 ] - [ 0.0001711500000000, 0.0003618200000000, 0.0008877400000000 ] - [ 0.0003358000000000, 0.0000749900000000, 0.0002645700000000 ] - [ 0.0006939400000000, -0.0000124700000000, -0.0007667600000000 ] - [ 0.0000900500000000, 0.0002507800000000, -0.0005099800000000 ] - [ 0.0008111800000000, -0.0002571400000000, -0.0006403200000000 ] - [ 0.0007355800000000, -0.0004025400000000, -0.0001415900000000 ] - [ -0.0002611100000000, 0.0002933100000000, 0.0002633400000000 ] - [ -0.0004624900000000, 0.0000515200000000, 0.0008884600000000 ] - [ 0.0018582000000000, 0.0025848000000000, -0.0017800000000000 ] - [ -0.0001144000000000, 0.0000344300000000, -0.0002845400000000 ] - [ -0.0001831300000000, -0.0003349200000000, -0.0006738100000000 ] - [ -0.0003152500000000, -0.0004710300000000, -0.0005971600000000 ] - [ 0.0026281300000000, -0.0015488500000000, -0.0030337500000000 ] - [ -0.0010913000000000, 0.0023597200000000, 0.0020244600000000 ] - [ -0.0003556300000000, -0.0021991800000000, -0.0010739700000000 ] - [ 0.0012492900000000, 0.0006079200000000, 0.0005436200000000 ] - [ -0.0061986000000000, 0.0002113700000000, -0.0039993300000000 ] - [ 0.0013941500000000, -0.0008497000000000, 0.0007527400000000 ] - [ -0.0336955100000000, 0.0165570800000000, 0.0019631900000000 ] - [ -0.0000491600000000, -0.0029954500000000, 0.0024662000000000 ] - [ -0.0001123800000000, -0.0007250800000000, -0.0017480600000000 ] - [ -0.0002757500000000, 0.0010582100000000, 0.0004722700000000 ] - [ 0.0003947800000000, 0.0006704600000000, -0.0014209200000000 ] - [ -0.0009582400000000, 0.0004408400000000, 0.0004059400000000 ] - [ 0.0004422800000000, 0.0016139300000000, 0.0011135700000000 ] - [ -0.0007322700000000, -0.0003970200000000, -0.0007225000000000 ] - [ 0.0004951300000000, -0.0029646600000000, 0.0013754200000000 ] - [ -0.0015493900000000, 0.0003471000000000, -0.0018613400000000 ] - [ 0.0018571600000000, -0.0001659600000000, 0.0029263900000000 ] - [ -0.0003916500000000, 0.0006530300000000, -0.0006797600000000 ] - [ 0.0001433500000000, -0.0001061600000000, 0.0013036200000000 ] - [ 0.0007120600000000, -0.0002197700000000, -0.0004807700000000 ] - [ -0.0019375900000000, -0.0010877200000000, 0.0017668800000000 ] - [ 0.0008608200000000, 0.0013659100000000, -0.0017927200000000 ] - [ 0.0007301000000000, 0.0023865400000000, 0.0012164300000000 ] - [ -0.0007504800000000, -0.0003309700000000, -0.0020391700000000 ] - [ 0.0002470600000000, 0.0002202900000000, 0.0018204100000000 ] - [ -0.0000738200000000, -0.0004480500000000, -0.0005378600000000 ] - [ 0.0026543300000000, -0.0013956300000000, 0.0001018700000000 ] - [ -0.0006729500000000, -0.0005706500000000, -0.0001518100000000 ] - [ 0.0003958300000000, 0.0009088100000000, 0.0005432500000000 ] - [ 0.0002263400000000, 0.0009629200000000, 0.0001235900000000 ] - [ 0.0074924300000000, 0.0050963300000000, 0.0002708800000000 ] - [ -0.0010623600000000, 0.0000100000000000, -0.0008851000000000 ] - [ 0.0004340600000000, 0.0004666400000000, 0.0001466800000000 ] - [ 0.0000890100000000, 0.0000507500000000, -0.0005297000000000 ] - [ 0.0005143000000000, 0.0005031100000000, 0.0006751800000000 ] - [ 0.0010284800000000, 0.0001060600000000, -0.0006625600000000 ] - [ -0.0008922100000000, 0.0005226200000000, 0.0005887500000000 ] - [ 0.0004006000000000, -0.0002828500000000, -0.0006745600000000 ] - [ -0.0016762000000000, -0.0002593600000000, 0.0018028200000000 ] - [ 0.0014478300000000, -0.0008220300000000, -0.0013456900000000 ] - [ -0.0014305500000000, 0.0013713500000000, 0.0015011900000000 ] - [ -0.0000314700000000, -0.0009655900000000, -0.0022012000000000 ] - [ 0.0124240600000000, 0.0025766000000000, -0.0060845600000000 ] - [ -0.0007863200000000, 0.0009589300000000, -0.0024712000000000 ] - [ 0.0005353300000000, 0.0002286200000000, 0.0005988500000000 ] - [ 0.0006410700000000, -0.0007335700000000, 0.0000656400000000 ] - [ 0.0010593500000000, 0.0001150100000000, 0.0006843800000000 ] - [ 0.0007602300000000, 0.0004078000000000, 0.0000085600000000 ] - [ 0.0150707500000000, -0.0083732500000000, -0.0196314700000000 ] - [ -0.0002584900000000, 0.0000152100000000, -0.0034150400000000 ] - [ 0.0033270100000000, 0.0006541200000000, 0.0002650900000000 ] - [ -0.0000956300000000, -0.0000581900000000, -0.0005574000000000 ] - [ 0.0076627400000000, -0.0095797100000000, 0.0049310400000000 ] - [ -0.0003337700000000, 0.0018494900000000, -0.0013682600000000 ] - [ -0.0160581000000000, -0.0270539500000000, 0.3284052000000000 ] - [ 0.0000954900000000, -0.0008249200000000, -0.0032562700000000 ] - [ -0.0003603400000000, -0.0004416400000000, 0.0001776600000000 ] - [ 0.0001377400000000, -0.0006301900000000, -0.0009533100000000 ] - [ 0.0001266300000000, 0.0011250200000000, 0.0006021700000000 ] - [ -0.0009678500000000, -0.0009703900000000, -0.0002874000000000 ] - [ -0.0018659800000000, 0.0016713500000000, 0.0008115200000000 ] - [ 0.0014919700000000, -0.0021088300000000, -0.0020691800000000 ] - [ -0.0004663700000000, 0.0001654300000000, 0.0006493500000000 ] - [ -0.0001447600000000, 0.0007353700000000, -0.0001819500000000 ] - [ -0.0006101200000000, 0.0005898000000000, 0.0007013900000000 ] - [ -0.0006798900000000, 0.0003742500000000, 0.0000031300000000 ] - [ -0.0017699300000000, -0.0024441500000000, 0.0016099500000000 ] - [ 0.0000244100000000, -0.0005798600000000, -0.0002628100000000 ] - [ -0.0016151600000000, 0.0006417100000000, 0.0007611400000000 ] - [ -0.0007787300000000, -0.0010019900000000, -0.0003512200000000 ] - [ -0.0001070300000000, -0.0012220100000000, 0.0003616000000000 ] - [ 0.0005034100000000, -0.0000967600000000, -0.0002875100000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003845600000000, 0.0002975100000000, 0.0008276100000000 ] - [ 0.0004956900000000, 0.0005188700000000, -0.0003386600000000 ] - [ 0.0010299800000000, -0.0006082900000000, 0.0008827200000000 ] - [ -0.0007317100000000, 0.0002802200000000, -0.0005519000000000 ] - [ -0.0037139500000000, 0.0015068200000000, 0.0021766800000000 ] - [ 0.0004574000000000, -0.0012579800000000, -0.0019066000000000 ] - [ -0.0003139700000000, -0.0003332400000000, 0.0006063300000000 ] - [ -0.0003464400000000, -0.0006098400000000, -0.0001910800000000 ] - [ 0.0011933300000000, 0.0013828100000000, 0.0010292800000000 ] - [ -0.0005070800000000, 0.0004458000000000, -0.0002771400000000 ] - [ -0.0029972800000000, -0.0019789500000000, 0.0006711300000000 ] - [ 0.0012185800000000, 0.0002407500000000, -0.0014309600000000 ] - [ -0.0023422000000000, 0.0105719400000000, -0.0078349300000000 ] - [ -0.0029380400000000, -0.0115279500000000, -0.0114263400000000 ] - [ 0.0019272900000000, -0.0000209600000000, 0.0024552600000000 ] - [ 0.0002712400000000, -0.0001263100000000, -0.0022178100000000 ] - [ 0.0080100800000000, 0.0087177900000000, -0.0073480400000000 ] - [ -0.0003476700000000, -0.0002794600000000, -0.0001868100000000 ] - [ -0.0008813200000000, -0.0001856300000000, -0.0005513900000000 ] - [ -0.0009128800000000, 0.0007917700000000, -0.0005655300000000 ] - [ 0.0001680000000000, -0.0001034000000000, -0.0004652100000000 ] - [ 0.0002809600000000, -0.0007873000000000, -0.0007725400000000 ] - [ 0.0003290400000000, -0.0015472400000000, -0.0001508400000000 ] - [ -0.0000301300000000, -0.0001977500000000, 0.0003691100000000 ] - [ -0.0001283000000000, 0.0007749100000000, 0.0003934500000000 ] - [ 0.0000401600000000, 0.0003018500000000, 0.0002369300000000 ] - [ -0.0013991300000000, 0.0004575100000000, 0.0001579500000000 ] - [ 0.0000420600000000, 0.0004196800000000, 0.0001561700000000 ] - [ 0.0040217700000000, -0.0012758300000000, -0.0003455200000000 ] - [ -0.0003481900000000, 0.0000534100000000, 0.0003031600000000 ] - [ -0.0110723500000000, -0.0253344100000000, 0.2979032400000000 ] - [ 0.0005934300000000, 0.0003807400000000, -0.0025982400000000 ] - [ 0.0005328400000000, -0.0005104900000000, 0.0032018700000000 ] - [ 0.0001989500000000, -0.0004972900000000, -0.0015011700000000 ] - [ -0.0000061900000000, 0.0006831600000000, 0.0000803200000000 ] - [ -0.0001280900000000, 0.0008081500000000, -0.0006783300000000 ] - [ -0.0004302400000000, 0.0018990800000000, -0.0006010100000000 ] - [ -0.0002621200000000, 0.0001250300000000, -0.0007714200000000 ] - [ -0.0006234200000000, -0.0004700600000000, 0.0004540100000000 ] - [ 0.0001309700000000, 0.0001181000000000, 0.0003084200000000 ] - [ 0.0000714500000000, -0.0008836700000000, -0.0003617000000000 ] - [ 0.0000472300000000, -0.0008141100000000, -0.0005045900000000 ] - [ 0.0000353200000000, -0.0002696400000000, 0.0002870200000000 ] - [ 0.0000321100000000, -0.0003965600000000, 0.0002872000000000 ] - [ -0.0008427700000000, -0.0000753500000000, 0.0003193000000000 ] - [ -0.0006415600000000, -0.0005099700000000, -0.0006173200000000 ] - [ 0.0006160900000000, 0.0004374100000000, -0.0003384000000000 ] - [ 0.0007364300000000, 0.0005187900000000, -0.0004262400000000 ] - [ -0.0001853900000000, -0.0001152400000000, -0.0004191600000000 ] - [ -0.0006323400000000, 0.0001110600000000, -0.0007974900000000 ] - [ -0.0003829100000000, -0.0005592900000000, 0.0032037500000000 ] - [ -0.0005095100000000, 0.0000267700000000, -0.0015007400000000 ] - [ 0.0004587300000000, -0.0001298200000000, -0.0003357100000000 ] - [ 0.0002899500000000, 0.0001643300000000, 0.0003042600000000 ] - [ 0.0000655700000000, 0.0000416600000000, -0.0004882700000000 ] - [ 0.0006828700000000, -0.0002278700000000, -0.0007507600000000 ] - [ 0.0007187600000000, -0.0004421300000000, -0.0000748500000000 ] - [ 0.0007960200000000, -0.0002934200000000, -0.0005846400000000 ] - [ -0.0002582700000000, 0.0001307800000000, 0.0003030900000000 ] - [ -0.0000531700000000, 0.0003775800000000, -0.0003350600000000 ] - [ -0.0015435600000000, -0.0019551000000000, 0.0005532400000000 ] - [ 0.0004813700000000, 0.0006511900000000, -0.0009811000000000 ] - [ -0.0001756400000000, -0.0003423900000000, -0.0005824800000000 ] - [ -0.0000403500000000, -0.0002029300000000, -0.0006608700000000 ] - [ -0.0026446800000000, 0.0021805800000000, 0.0020854800000000 ] - [ 0.0011506100000000, -0.0018191900000000, -0.0030967200000000 ] - [ 0.0008701500000000, 0.0019230500000000, 0.0000789900000000 ] - [ -0.0007743600000000, -0.0009459100000000, -0.0015775200000000 ] - [ 0.0062876400000000, -0.0008086000000000, 0.0030514800000000 ] - [ -0.0014597600000000, 0.0002751100000000, -0.0017944700000000 ] - [ 0.0340422100000000, -0.0172766700000000, -0.0029682800000000 ] - [ -0.0004840600000000, 0.0028008700000000, -0.0035504800000000 ] - [ 0.0006396900000000, 0.0010168100000000, 0.0007661400000000 ] - [ 0.0008071100000000, -0.0008089000000000, -0.0015067400000000 ] - [ -0.0009094700000000, -0.0003627700000000, 0.0004332800000000 ] - [ 0.0004734600000000, -0.0001292800000000, -0.0014345000000000 ] - [ -0.0008269800000000, -0.0011102200000000, -0.0009022700000000 ] - [ 0.0003756800000000, 0.0009470600000000, 0.0009760100000000 ] - [ -0.0018303800000000, 0.0026134800000000, -0.0010820800000000 ] - [ 0.0002586800000000, -0.0007611500000000, 0.0022335500000000 ] - [ -0.0020700400000000, 0.0006622100000000, -0.0022038900000000 ] - [ 0.0002285000000000, -0.0001724700000000, 0.0014732400000000 ] - [ 0.0003725700000000, 0.0000083000000000, -0.0005590900000000 ] - [ -0.0002086700000000, 0.0001243000000000, 0.0012652400000000 ] - [ 0.0022794300000000, 0.0024634900000000, -0.0014807100000000 ] - [ -0.0005758400000000, -0.0000391800000000, 0.0021637500000000 ] - [ -0.0002435200000000, -0.0019071800000000, -0.0017358300000000 ] - [ 0.0012707000000000, 0.0008731500000000, 0.0015971100000000 ] - [ -0.0005884600000000, -0.0006212400000000, -0.0010880800000000 ] - [ -0.0002591300000000, 0.0000634300000000, 0.0013252200000000 ] - [ -0.0030205100000000, 0.0000694400000000, 0.0002247800000000 ] - [ 0.0003857800000000, -0.0007759400000000, 0.0004824800000000 ] - [ 0.0000844700000000, 0.0009400600000000, 0.0001232200000000 ] - [ 0.0002576400000000, 0.0008842800000000, 0.0005520800000000 ] - [ -0.0073409400000000, -0.0045862600000000, -0.0000582700000000 ] - [ 0.0013760900000000, 0.0005872900000000, 0.0011418100000000 ] - [ -0.0006533200000000, 0.0002245500000000, -0.0006396400000000 ] - [ -0.0003006800000000, 0.0006502000000000, 0.0000524800000000 ] - [ 0.0007996100000000, -0.0001094000000000, -0.0003614900000000 ] - [ 0.0002750600000000, 0.0002976200000000, 0.0010051900000000 ] - [ 0.0002611300000000, -0.0005849900000000, -0.0003683000000000 ] - [ -0.0010615100000000, 0.0002381500000000, 0.0009257900000000 ] - [ 0.0014228200000000, -0.0003311400000000, -0.0016063000000000 ] - [ -0.0017707600000000, 0.0002444800000000, 0.0016151600000000 ] - [ 0.0007522300000000, -0.0012315100000000, -0.0020309700000000 ] - [ -0.0006766800000000, 0.0011577800000000, 0.0017615400000000 ] - [ -0.0124107100000000, -0.0022352300000000, 0.0070044200000000 ] - [ 0.0011464600000000, -0.0005861200000000, 0.0033050500000000 ] - [ 0.0008235900000000, -0.0015913900000000, 0.0000656500000000 ] - [ 0.0007156300000000, -0.0006095100000000, 0.0006113200000000 ] - [ 0.0007723800000000, 0.0003728000000000, -0.0000293000000000 ] - [ 0.0010787300000000, 0.0000735900000000, 0.0006612000000000 ] - [ -0.0153626700000000, 0.0079175300000000, 0.0199906100000000 ] - [ 0.0004797400000000, -0.0007184800000000, 0.0030110000000000 ] - [ -0.0026914500000000, -0.0008391900000000, -0.0007592700000000 ] - [ 0.0008036300000000, -0.0001113300000000, 0.0000799000000000 ] - [ -0.0072007400000000, 0.0098698000000000, -0.0048163100000000 ] - [ 0.0009961000000000, -0.0018479500000000, 0.0016363300000000 ] - [ 0.0154995100000000, 0.0239372300000000, -0.3006918400000000 ] - [ 0.0009201100000000, -0.0000985200000000, 0.0036673800000000 ] - [ -0.0001349600000000, -0.0000837900000000, -0.0006733900000000 ] - [ -0.0006438700000000, 0.0001105800000000, 0.0004847700000000 ] - [ -0.0006488400000000, -0.0010497700000000, 0.0001571700000000 ] - [ 0.0004732300000000, 0.0010987200000000, 0.0010685200000000 ] - [ 0.0020830800000000, -0.0022072900000000, -0.0000547300000000 ] - [ -0.0013557500000000, 0.0016635200000000, 0.0028917000000000 ] - [ -0.0005412900000000, 0.0007720100000000, -0.0003363000000000 ] - [ -0.0008690000000000, 0.0001898500000000, 0.0005136500000000 ] - [ -0.0007473400000000, 0.0007570700000000, -0.0000389700000000 ] - [ -0.0006758400000000, 0.0009766100000000, 0.0006741500000000 ] - [ 0.0013234000000000, 0.0006264300000000, -0.0009725600000000 ] - [ -0.0005154300000000, -0.0012767600000000, 0.0009460900000000 ] - [ -0.0002052900000000, -0.0011453000000000, -0.0001083600000000 ] - [ -0.0010594700000000, 0.0005350000000000, 0.0010304800000000 ] - [ 0.0004837500000000, 0.0007095600000000, -0.0001358800000000 ] - [ -0.0001402300000000, -0.0004389100000000, 0.0005285300000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012780200000000, 0.0014074000000000, 0.0009458700000000 ] - [ 0.0012208800000000, 0.0011959100000000, -0.0005694400000000 ] - [ -0.0037161700000000, 0.0015151700000000, -0.0095164200000000 ] - [ -0.0036669900000000, 0.0014864800000000, 0.0039043800000000 ] - [ 0.0008242300000000, -0.0008927900000000, 0.0005035000000000 ] - [ 0.0006963900000000, -0.0010348500000000, -0.0002343400000000 ] - [ -0.0032150900000000, 0.0075554900000000, 0.0004955700000000 ] - [ -0.0007626000000000, 0.0000973700000000, 0.0000896300000000 ] - [ 0.0041508100000000, 0.0002561600000000, 0.0006424900000000 ] - [ 0.0007142700000000, 0.0005348900000000, -0.0000687100000000 ] - [ -0.0021056500000000, -0.0008810200000000, 0.0016006300000000 ] - [ 0.0002022000000000, -0.0004427900000000, -0.0003348300000000 ] - [ 0.0337539300000000, -0.0109803100000000, -0.0286235900000000 ] - [ 0.0015043000000000, -0.0019513800000000, 0.0030723500000000 ] - [ 0.0032128500000000, 0.0090202500000000, -0.0036909300000000 ] - [ -0.0002437300000000, 0.0021914700000000, -0.0005070800000000 ] - [ -0.0017776600000000, -0.0014218400000000, 0.0008105700000000 ] - [ -0.0005566300000000, -0.0005469100000000, 0.0008494300000000 ] - [ -0.0004755900000000, -0.0004591800000000, -0.0001142700000000 ] - [ -0.0007019200000000, 0.0001451600000000, -0.0005287000000000 ] - [ 0.0006004900000000, -0.0324741200000000, -0.0040898200000000 ] - [ -0.0002539100000000, -0.0001070100000000, -0.0006387600000000 ] - [ -0.0019532600000000, 0.0036616100000000, 0.0008394700000000 ] - [ -0.0009344300000000, 0.0022924800000000, -0.0007900700000000 ] - [ -0.0002432600000000, 0.0028241000000000, -0.0001693500000000 ] - [ -0.0000580000000000, 0.0010574100000000, 0.0001336900000000 ] - [ 0.0024681500000000, -0.0005718200000000, 0.0008991400000000 ] - [ 0.0026655500000000, -0.0007153400000000, 0.0011024200000000 ] - [ 0.0021905900000000, -0.0009930300000000, -0.0000263700000000 ] - [ 0.0007011000000000, -0.0002765700000000, 0.0002403300000000 ] - [ 0.0003929400000000, -0.0013604000000000, 0.0029237000000000 ] - [ 0.0004290400000000, 0.0003158000000000, -0.0008314300000000 ] - [ -0.0007338800000000, 0.0039729400000000, 0.0319142900000000 ] - [ -0.0000562700000000, -0.0009848200000000, -0.0023278200000000 ] - [ 0.0010898500000000, 0.0008937900000000, -0.0014560700000000 ] - [ -0.0002747100000000, 0.0005531600000000, -0.0002171500000000 ] - [ -0.0002876900000000, 0.0006351800000000, -0.0007080300000000 ] - [ -0.0001523400000000, -0.0002336800000000, -0.0006071400000000 ] - [ 0.0296957800000000, 0.0231685500000000, 0.0061409900000000 ] - [ -0.0010007900000000, -0.0005861400000000, 0.0000906900000000 ] - [ 0.0008354200000000, -0.0012782300000000, -0.0002599900000000 ] - [ 0.0004120500000000, -0.0010801900000000, -0.0006273600000000 ] - [ 0.0001910200000000, 0.0003308400000000, 0.0064886100000000 ] - [ -0.0001635300000000, -0.0001690500000000, -0.0011398100000000 ] - [ -0.0003368000000000, -0.0008236100000000, -0.0004667300000000 ] - [ -0.0005734400000000, -0.0006581200000000, -0.0003760400000000 ] - [ 0.0021898600000000, -0.0026290500000000, 0.0018935700000000 ] - [ -0.0000792900000000, 0.0001901900000000, -0.0004236800000000 ] - [ 0.0027942200000000, -0.0011085500000000, -0.0002426900000000 ] - [ 0.0004107400000000, -0.0002462600000000, -0.0006649800000000 ] - [ 0.0010206300000000, -0.0003503000000000, 0.0023776500000000 ] - [ -0.0005115900000000, -0.0001339200000000, -0.0008958100000000 ] - [ 0.0004544700000000, 0.0006907300000000, 0.0010529300000000 ] - [ 0.0003886600000000, 0.0002193800000000, 0.0001755500000000 ] - [ -0.0005375400000000, -0.0000155500000000, -0.0009672500000000 ] - [ -0.0008348900000000, 0.0000668700000000, -0.0002824900000000 ] - [ 0.0025105500000000, -0.0013905400000000, -0.0010539400000000 ] - [ 0.0011153600000000, -0.0005227400000000, 0.0001993300000000 ] - [ -0.0003707000000000, 0.0006070500000000, 0.0008452800000000 ] - [ -0.0001375600000000, 0.0004743800000000, -0.0007946400000000 ] - [ -0.0005615000000000, -0.0012067100000000, -0.0005066300000000 ] - [ 0.0000260800000000, 0.0000377500000000, -0.0006823500000000 ] - [ 0.0008868000000000, 0.0001137000000000, -0.0008634500000000 ] - [ 0.0022840900000000, 0.0003021800000000, 0.0001967100000000 ] - [ -0.6615176100000000, -0.0708332800000000, 0.1227944000000000 ] - [ -0.0029844900000000, -0.0014726700000000, -0.0009818500000000 ] - [ 0.0071518700000000, 0.0043515600000000, 0.0050244000000000 ] - [ 0.0010688200000000, 0.0008105400000000, 0.0000750100000000 ] - [ -0.0016033400000000, 0.0033326200000000, -0.0054402000000000 ] - [ -0.0015819700000000, -0.0008478300000000, -0.0011028800000000 ] - [ 0.0066383400000000, -0.0046392100000000, 0.0003042100000000 ] - [ 0.0007650800000000, -0.0009834300000000, -0.0004136900000000 ] - [ 0.0037820200000000, -0.0012769500000000, -0.0006083600000000 ] - [ 0.0034256400000000, 0.0002527400000000, 0.0011329100000000 ] - [ -0.0013879000000000, 0.0025286000000000, 0.0006986400000000 ] - [ 0.0008126900000000, 0.0029843800000000, -0.0013444200000000 ] - [ -0.0042988100000000, -0.0036733700000000, -0.0029114100000000 ] - [ -0.0011073000000000, -0.0005250200000000, -0.0000217600000000 ] - [ 0.0031117600000000, -0.0022024900000000, -0.0194321300000000 ] - [ 0.0006327300000000, -0.0011781600000000, 0.0057635700000000 ] - [ 0.0017507300000000, -0.0057242300000000, 0.0037163300000000 ] - [ 0.0005986200000000, 0.0004845500000000, 0.0009385100000000 ] - [ 0.0004393300000000, -0.0028509900000000, -0.0010940100000000 ] - [ 0.0000388900000000, -0.0010463900000000, 0.0008641300000000 ] - [ -0.0024442900000000, 0.0012005000000000, -0.0017261200000000 ] - [ -0.0038329200000000, 0.0001670800000000, 0.0025728800000000 ] - [ -0.0041751600000000, -0.0013533800000000, -0.0016531900000000 ] - [ -0.0002791900000000, -0.0002214600000000, 0.0002374800000000 ] - [ -0.0021759700000000, -0.0005372700000000, 0.0005355000000000 ] - [ -0.0018734500000000, -0.0011159300000000, -0.0007122800000000 ] - [ -0.0020439100000000, -0.0018695000000000, -0.0003802000000000 ] - [ -0.0004560600000000, -0.0008726100000000, 0.0003433000000000 ] - [ -0.0003850900000000, 0.0020335400000000, 0.0026020500000000 ] - [ -0.0023753400000000, 0.0027444900000000, -0.0038720900000000 ] - [ 0.0029340900000000, 0.0000864600000000, 0.0020033200000000 ] - [ 0.0010341100000000, 0.0013864800000000, 0.0006279500000000 ] - [ -0.0031761300000000, -0.0003586600000000, 0.0012552400000000 ] - [ -0.0017127800000000, 0.0002954500000000, -0.0040739400000000 ] - [ 0.0012703100000000, -0.0025749300000000, -0.0003678200000000 ] - [ 0.0006651100000000, -0.0003704100000000, 0.0010803600000000 ] - [ -0.0027844900000000, 0.0008321400000000, 0.0005102200000000 ] - [ -0.0030832600000000, -0.0002219700000000, -0.0008542300000000 ] - [ 0.2937148300000000, -0.0208445900000000, -0.1207978200000000 ] - [ 0.0016575500000000, -0.0002761200000000, 0.0001300300000000 ] - [ 0.2295712800000000, 0.1163048700000000, 0.0368783400000000 ] - [ 0.0015187700000000, 0.0013371800000000, 0.0011927800000000 ] - [ -0.0033847400000000, 0.0020841500000000, 0.0004295400000000 ] - [ -0.0006901900000000, 0.0005227200000000, 0.0003119700000000 ] - [ 0.0001607500000000, -0.0007070900000000, 0.0005084300000000 ] - [ -0.0002072500000000, -0.0001331100000000, 0.0004139500000000 ] - [ -0.0034345300000000, 0.0020341300000000, 0.0002454000000000 ] - [ 0.0000901700000000, 0.0005059600000000, 0.0003106900000000 ] - [ -0.0045644900000000, 0.0052374400000000, 0.0001504600000000 ] - [ -0.0004126200000000, 0.0003666500000000, 0.0002609200000000 ] - [ -0.0005364800000000, -0.0022554500000000, 0.0016719700000000 ] - [ 0.0011006800000000, -0.0002590500000000, -0.0005569300000000 ] - [ -0.0027773400000000, 0.0044516400000000, -0.0019139300000000 ] - [ -0.0000657700000000, 0.0007161900000000, 0.0000255500000000 ] - [ 0.0015052800000000, 0.0015545100000000, -0.0019527800000000 ] - [ 0.0016316200000000, 0.0018192200000000, 0.0015072100000000 ] - [ -0.0004764000000000, -0.0026248000000000, -0.0002140300000000 ] - [ -0.0005522700000000, -0.0021695200000000, -0.0005648100000000 ] - [ -0.0067471700000000, -0.0022755500000000, -0.0007265700000000 ] - [ -0.0007301500000000, -0.0004393300000000, -0.0002242900000000 ] - [ 0.0976570300000000, -0.0210053200000000, -0.0280843300000000 ] - [ 0.0015927100000000, 0.0008761500000000, 0.0010988800000000 ] - [ -0.0156007400000000, -0.0159708900000000, -0.0054129400000000 ] - [ -0.0000742800000000, 0.0003602600000000, 0.0012836200000000 ] - [ 0.0023484900000000, 0.0185963900000000, -0.0000038500000000 ] - [ -0.0000344600000000, 0.0007837000000000, 0.0005383200000000 ] - [ -0.0001661700000000, 0.0006348500000000, 0.0001902100000000 ] - [ -0.0002276100000000, -0.0005631400000000, 0.0005661900000000 ] - [ -0.0005405100000000, 0.0004542500000000, 0.0009408300000000 ] - [ -0.0003580100000000, 0.0006072600000000, 0.0000576100000000 ] - [ 0.0014386900000000, -0.0026964000000000, 0.0000059900000000 ] - [ 0.0007187600000000, -0.0030551600000000, 0.0015129200000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004741100000000, -0.0007183600000000, -0.0005116100000000 ] - [ -0.0004197700000000, -0.0005058700000000, 0.0010019200000000 ] - [ 0.0027345400000000, -0.0011957300000000, 0.0100038200000000 ] - [ 0.0027383100000000, -0.0011389800000000, -0.0034527800000000 ] - [ -0.0006346700000000, -0.0001791100000000, -0.0000551100000000 ] - [ -0.0005090600000000, -0.0000367200000000, 0.0006775400000000 ] - [ 0.0024258800000000, -0.0082234500000000, -0.0000765400000000 ] - [ -0.0000411400000000, -0.0007853100000000, 0.0003488100000000 ] - [ -0.0043613400000000, 0.0008183800000000, -0.0001967900000000 ] - [ -0.0009071200000000, 0.0005366000000000, 0.0005142300000000 ] - [ 0.0030861600000000, 0.0005986900000000, -0.0011835300000000 ] - [ 0.0007863900000000, 0.0001002500000000, 0.0007711100000000 ] - [ -0.0335602000000000, 0.0109228200000000, 0.0276475400000000 ] - [ -0.0015018000000000, 0.0019373800000000, -0.0036867200000000 ] - [ -0.0032047700000000, -0.0090668000000000, 0.0030991300000000 ] - [ 0.0002609600000000, -0.0021998700000000, -0.0001266600000000 ] - [ 0.0024275700000000, 0.0018201200000000, -0.0001196700000000 ] - [ 0.0011957000000000, 0.0009568700000000, -0.0001449700000000 ] - [ -0.0010587900000000, 0.0011589900000000, -0.0006078200000000 ] - [ -0.0008308000000000, 0.0005516500000000, -0.0001903700000000 ] - [ -0.0002177400000000, 0.0319652900000000, 0.0028734200000000 ] - [ 0.0006625900000000, -0.0005462000000000, -0.0006180400000000 ] - [ 0.0019694900000000, -0.0044049900000000, -0.0001474500000000 ] - [ 0.0009514300000000, -0.0030814800000000, 0.0014832800000000 ] - [ 0.0002239300000000, -0.0020531200000000, 0.0008611400000000 ] - [ 0.0000397600000000, -0.0002882300000000, 0.0005592000000000 ] - [ -0.0031405300000000, 0.0009394200000000, -0.0002061800000000 ] - [ -0.0033436200000000, 0.0010839200000000, -0.0004111900000000 ] - [ -0.0015206300000000, 0.0006254900000000, 0.0007180100000000 ] - [ -0.0000302500000000, -0.0000917700000000, 0.0004517300000000 ] - [ -0.0002923800000000, 0.0020173900000000, -0.0023507000000000 ] - [ -0.0003213800000000, 0.0003491400000000, 0.0014089100000000 ] - [ 0.0012744100000000, -0.0043707900000000, -0.0312574900000000 ] - [ 0.0005825000000000, 0.0005629500000000, 0.0029077200000000 ] - [ -0.0012660300000000, 0.0007830200000000, 0.0007647200000000 ] - [ 0.0001128000000000, 0.0011217100000000, -0.0005036200000000 ] - [ -0.0001192100000000, 0.0000175400000000, -0.0005494500000000 ] - [ -0.0002560800000000, 0.0008980800000000, -0.0006517900000000 ] - [ -0.0307201300000000, -0.0238936000000000, -0.0054309600000000 ] - [ 0.0003506700000000, 0.0001903900000000, 0.0006033900000000 ] - [ -0.0006743100000000, -0.0003934100000000, -0.0004621200000000 ] - [ -0.0002491300000000, -0.0005936700000000, -0.0000920800000000 ] - [ -0.0002951100000000, -0.0009949100000000, -0.0059993600000000 ] - [ 0.0000559500000000, -0.0004925600000000, 0.0017128200000000 ] - [ -0.0010320800000000, -0.0001527900000000, -0.0002517900000000 ] - [ -0.0007955100000000, -0.0003188800000000, -0.0003438300000000 ] - [ -0.0008183600000000, 0.0036242600000000, -0.0026212600000000 ] - [ 0.0014480100000000, 0.0007914500000000, -0.0002922100000000 ] - [ -0.0035720400000000, 0.0010867300000000, -0.0010172300000000 ] - [ -0.0011787000000000, 0.0002194000000000, -0.0005927100000000 ] - [ -0.0016455500000000, 0.0001136700000000, -0.0018069900000000 ] - [ -0.0001191600000000, -0.0001055400000000, 0.0014601700000000 ] - [ 0.0001711300000000, -0.0004577000000000, -0.0004953100000000 ] - [ 0.0002374700000000, 0.0000194000000000, 0.0003962700000000 ] - [ 0.0013029100000000, 0.0000445600000000, -0.0002886800000000 ] - [ 0.0016071500000000, -0.0000414000000000, -0.0009770800000000 ] - [ -0.0009790900000000, 0.0006929900000000, 0.0003407600000000 ] - [ 0.0004160600000000, -0.0001728700000000, -0.0009215900000000 ] - [ -0.0001440300000000, -0.0001798800000000, -0.0002885800000000 ] - [ -0.0003820500000000, -0.0000489100000000, 0.0013622800000000 ] - [ 0.0009171200000000, 0.0018840500000000, -0.0007503000000000 ] - [ 0.0003320900000000, 0.0006397600000000, -0.0005741700000000 ] - [ -0.0012455700000000, -0.0007919800000000, -0.0003945000000000 ] - [ -0.0026552100000000, -0.0009784400000000, -0.0014598000000000 ] - [ 0.6697152800000000, 0.0566303500000000, -0.1417671100000000 ] - [ 0.0030164600000000, 0.0020659900000000, -0.0000209500000000 ] - [ -0.0066684600000000, -0.0046369400000000, -0.0060556400000000 ] - [ -0.0005660700000000, -0.0011293100000000, -0.0010785900000000 ] - [ 0.0015687900000000, -0.0039104400000000, 0.0044210600000000 ] - [ 0.0015903500000000, 0.0002809500000000, 0.0001003000000000 ] - [ -0.0071432900000000, 0.0043708300000000, -0.0013130700000000 ] - [ -0.0012933700000000, 0.0007121300000000, -0.0005926700000000 ] - [ -0.0032540700000000, 0.0015570700000000, -0.0003886900000000 ] - [ -0.0029186000000000, 0.0000094200000000, -0.0021576500000000 ] - [ 0.0008934700000000, -0.0022078800000000, -0.0017108700000000 ] - [ -0.0013181800000000, -0.0026814700000000, 0.0003395800000000 ] - [ 0.0039350700000000, 0.0041983300000000, 0.0031482800000000 ] - [ 0.0007359200000000, 0.0010552500000000, 0.0002523000000000 ] - [ -0.0044391000000000, 0.0017893900000000, 0.0197524700000000 ] - [ -0.0019113700000000, 0.0008096400000000, -0.0054666600000000 ] - [ -0.0019385300000000, 0.0062117200000000, -0.0029428500000000 ] - [ -0.0007821700000000, -0.0000071000000000, -0.0001802600000000 ] - [ 0.0000728500000000, 0.0027576900000000, 0.0018628900000000 ] - [ 0.0004748700000000, 0.0009523200000000, -0.0001015000000000 ] - [ 0.0027442500000000, 0.0001435600000000, 0.0020457300000000 ] - [ 0.0041325500000000, 0.0011710900000000, -0.0022369800000000 ] - [ 0.0046591500000000, 0.0018598000000000, 0.0011804900000000 ] - [ 0.0007765000000000, 0.0007502700000000, -0.0007231400000000 ] - [ 0.0018451700000000, 0.0001453700000000, 0.0002139300000000 ] - [ 0.0015494600000000, 0.0007341800000000, 0.0014855500000000 ] - [ 0.0017484300000000, 0.0005360900000000, 0.0007089400000000 ] - [ 0.0001552300000000, -0.0004711800000000, -0.0000234200000000 ] - [ 0.0008689000000000, -0.0001835600000000, -0.0019361900000000 ] - [ 0.0028575200000000, -0.0009090900000000, 0.0045623700000000 ] - [ -0.0026467500000000, 0.0005023000000000, -0.0017690800000000 ] - [ -0.0007580200000000, -0.0008244800000000, -0.0004199500000000 ] - [ 0.0029622400000000, 0.0010522600000000, -0.0017475300000000 ] - [ 0.0015031200000000, 0.0004004500000000, 0.0036251200000000 ] - [ 0.0000306000000000, 0.0029764300000000, 0.0007012700000000 ] - [ 0.0006450800000000, 0.0007690600000000, -0.0007583200000000 ] - [ 0.0021400700000000, -0.0008868000000000, -0.0002834100000000 ] - [ 0.0024439300000000, 0.0001757100000000, 0.0010966900000000 ] - [ -0.3141282400000000, 0.0229871500000000, 0.1345539300000000 ] - [ -0.0019444600000000, -0.0003123200000000, 0.0000953800000000 ] - [ -0.2177772000000000, -0.1049289000000000, -0.0336873200000000 ] - [ -0.0022199600000000, -0.0011711100000000, -0.0016929700000000 ] - [ 0.0037187000000000, -0.0016897300000000, 0.0003372100000000 ] - [ 0.0010261800000000, -0.0001299000000000, 0.0004493600000000 ] - [ 0.0011951500000000, -0.0006404500000000, 0.0001591100000000 ] - [ 0.0015650200000000, -0.0012235000000000, 0.0002568900000000 ] - [ 0.0052861900000000, -0.0015600600000000, 0.0004129800000000 ] - [ 0.0017449700000000, -0.0000235800000000, 0.0003510100000000 ] - [ 0.0047950500000000, -0.0059151500000000, -0.0006242300000000 ] - [ 0.0006264300000000, -0.0010626900000000, -0.0007560800000000 ] - [ 0.0012251200000000, 0.0020801400000000, -0.0021565700000000 ] - [ -0.0004229700000000, 0.0000825300000000, 0.0000778000000000 ] - [ 0.0034217000000000, -0.0044016000000000, 0.0021435300000000 ] - [ 0.0007132700000000, -0.0006655400000000, 0.0002041400000000 ] - [ -0.0004914700000000, -0.0024831300000000, 0.0022750800000000 ] - [ -0.0005951200000000, -0.0027539800000000, -0.0011911300000000 ] - [ -0.0000203800000000, 0.0020960000000000, -0.0002760500000000 ] - [ 0.0000550500000000, 0.0016525100000000, 0.0000835300000000 ] - [ 0.0062671500000000, 0.0023712900000000, 0.0014914800000000 ] - [ 0.0002163300000000, 0.0005383100000000, 0.0009853700000000 ] - [ -0.0980581200000000, 0.0213936300000000, 0.0297374200000000 ] - [ -0.0014200500000000, -0.0013683000000000, -0.0003362000000000 ] - [ 0.0146997400000000, 0.0170451500000000, 0.0057772500000000 ] - [ -0.0009363100000000, 0.0005711400000000, -0.0009641600000000 ] - [ -0.0036869500000000, -0.0172755200000000, 0.0006403400000000 ] - [ -0.0013229400000000, 0.0005622600000000, 0.0001284900000000 ] - [ -0.0003109700000000, -0.0024903300000000, 0.0004795300000000 ] - [ -0.0002545300000000, -0.0012864300000000, 0.0000997700000000 ] - [ -0.0012919800000000, -0.0009412100000000, -0.0002825000000000 ] - [ -0.0014781100000000, -0.0010933200000000, 0.0006065900000000 ] - [ -0.0010693400000000, 0.0021571800000000, 0.0002234900000000 ] - [ -0.0003477600000000, 0.0025410400000000, -0.0012837700000000 ]- atom: 65 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0006081100000000, 0.0004608100000000, 0.0002787400000000 ] - [ 0.0002636000000000, 0.0003627000000000, 0.0002612000000000 ] - [ 0.0003131700000000, -0.0024503600000000, 0.0058544800000000 ] - [ 0.0044400500000000, -0.0029242900000000, 0.0035309500000000 ] - [ -0.0004719800000000, -0.0002158500000000, -0.0000654000000000 ] - [ -0.0006560000000000, 0.0000753700000000, 0.0005146300000000 ] - [ 0.0027840100000000, 0.0024611600000000, -0.0005802600000000 ] - [ -0.0001779800000000, -0.0004729800000000, 0.0009192400000000 ] - [ -0.0019716000000000, 0.0001782900000000, -0.0004433300000000 ] - [ -0.0003987100000000, 0.0003989300000000, 0.0007112100000000 ] - [ 0.0003992800000000, 0.0090411100000000, -0.0024487600000000 ] - [ 0.0004791200000000, -0.0000222700000000, 0.0011126900000000 ] - [ -0.0261742100000000, -0.0133116600000000, 0.0024594800000000 ] - [ 0.0010705700000000, -0.0019906400000000, 0.0020731500000000 ] - [ 0.0007811200000000, -0.0033124000000000, 0.0001627800000000 ] - [ 0.0020329400000000, -0.0000517000000000, 0.0010917900000000 ] - [ 0.0007804900000000, 0.0006489700000000, 0.0000911500000000 ] - [ -0.0002426700000000, 0.0019971900000000, 0.0013459300000000 ] - [ -0.0012279100000000, 0.0010720800000000, -0.0006367100000000 ] - [ -0.0009237000000000, 0.0004849100000000, -0.0001211300000000 ] - [ -0.0080382200000000, 0.0160367700000000, 0.0050224400000000 ] - [ 0.0004878800000000, -0.0006976100000000, -0.0004585500000000 ] - [ 0.0002645300000000, 0.0011664700000000, 0.0007743500000000 ] - [ 0.0011915900000000, -0.0030537400000000, -0.0013354100000000 ] - [ -0.0001159400000000, 0.0008326500000000, 0.0001766900000000 ] - [ -0.0000013500000000, 0.0005111800000000, 0.0004446500000000 ] - [ -0.0010431700000000, 0.0003209600000000, 0.0003085400000000 ] - [ -0.0015326700000000, 0.0004224000000000, -0.0000210900000000 ] - [ -0.0012624700000000, 0.0005556200000000, 0.0005726600000000 ] - [ -0.0000162300000000, -0.0000373100000000, 0.0004818700000000 ] - [ -0.0002261100000000, 0.0001502800000000, -0.0026334300000000 ] - [ -0.0003140300000000, 0.0002791200000000, 0.0026491200000000 ] - [ 0.0028934800000000, 0.0016339900000000, 0.0024714400000000 ] - [ 0.0005835200000000, 0.0005069000000000, 0.0026822200000000 ] - [ -0.0006286100000000, 0.0011747300000000, 0.0005250300000000 ] - [ -0.0000551900000000, 0.0009944100000000, -0.0004583800000000 ] - [ -0.0002373800000000, 0.0006004100000000, -0.0006202500000000 ] - [ -0.0004495500000000, 0.0019688600000000, -0.0007243600000000 ] - [ -0.0162729700000000, -0.0211059200000000, -0.0100657500000000 ] - [ 0.0000823300000000, -0.0000997200000000, 0.0007168300000000 ] - [ -0.0002519500000000, -0.0005372300000000, -0.0006492700000000 ] - [ -0.0001481100000000, -0.0006696900000000, -0.0001217900000000 ] - [ 0.0018209700000000, -0.0001343900000000, -0.0032865700000000 ] - [ 0.0000954600000000, -0.0004483500000000, 0.0014817800000000 ] - [ -0.0009537200000000, -0.0000714000000000, -0.0002678100000000 ] - [ -0.0008471300000000, -0.0002214800000000, -0.0002532000000000 ] - [ -0.0010643900000000, 0.0020490000000000, -0.0022948300000000 ] - [ 0.0009810500000000, 0.0006414400000000, -0.0001102600000000 ] - [ -0.0015646100000000, 0.0005867000000000, -0.0007971800000000 ] - [ -0.0006277600000000, 0.0000809700000000, -0.0005590200000000 ] - [ -0.0001447200000000, -0.0002076200000000, -0.0003310300000000 ] - [ -0.0001880300000000, -0.0002217500000000, 0.0012936500000000 ] - [ 0.0003166200000000, 0.0000022800000000, -0.0003713600000000 ] - [ 0.0002463900000000, 0.0002199500000000, 0.0009985700000000 ] - [ 0.0002696500000000, 0.0003892300000000, -0.0002165900000000 ] - [ 0.0006417100000000, 0.0003088000000000, -0.0010663600000000 ] - [ -0.0003557400000000, 0.0001195300000000, 0.0000862000000000 ] - [ 0.0005958400000000, -0.0003041200000000, -0.0005586900000000 ] - [ 0.0002250100000000, 0.0006418500000000, -0.0006605400000000 ] - [ -0.0002453500000000, 0.0000994800000000, 0.0008212600000000 ] - [ 0.0003701200000000, 0.0014955600000000, -0.0007765800000000 ] - [ 0.0000593100000000, 0.0005108700000000, -0.0004858600000000 ] - [ -0.0009083100000000, -0.0007366200000000, -0.0004944500000000 ] - [ -0.0013609200000000, -0.0009427600000000, -0.0009930400000000 ] - [ 0.2808267200000000, -0.3861691100000000, -0.2469231800000000 ] - [ -0.0000110800000000, 0.0016838100000000, 0.0013973700000000 ] - [ -0.0005777900000000, -0.0002269600000000, -0.0017176400000000 ] - [ 0.0007823100000000, -0.0007242300000000, 0.0002747900000000 ] - [ 0.0002903400000000, 0.0002258200000000, -0.0000567400000000 ] - [ 0.0038948900000000, 0.0023376400000000, 0.0006642800000000 ] - [ -0.0063162200000000, 0.0043120100000000, 0.0001394600000000 ] - [ -0.0016134000000000, 0.0000302800000000, 0.0002119400000000 ] - [ -0.0014613500000000, 0.0003686200000000, -0.0007272200000000 ] - [ 0.0005212900000000, -0.0010337200000000, -0.0010082900000000 ] - [ 0.0006303200000000, 0.0016004400000000, -0.0009378300000000 ] - [ 0.0004148800000000, 0.0003890800000000, -0.0009723600000000 ] - [ 0.0010666500000000, 0.0004964800000000, 0.0007998900000000 ] - [ -0.0002076600000000, 0.0001310900000000, -0.0002967700000000 ] - [ -0.0035135900000000, -0.0016199900000000, -0.0028815100000000 ] - [ 0.0004965400000000, 0.0050039000000000, -0.0039656200000000 ] - [ -0.0018354700000000, 0.0022998300000000, 0.0014649800000000 ] - [ -0.0014270500000000, -0.0013842400000000, -0.0010635100000000 ] - [ -0.0002859900000000, -0.0003045400000000, 0.0006167300000000 ] - [ -0.0003970600000000, 0.0001238600000000, 0.0005560300000000 ] - [ 0.0004291900000000, 0.0008228500000000, 0.0003902200000000 ] - [ 0.0017636200000000, 0.0009926400000000, -0.0015479300000000 ] - [ -0.0000366300000000, 0.0010174700000000, 0.0020006800000000 ] - [ 0.0002096600000000, 0.0006853000000000, -0.0011836800000000 ] - [ 0.0006836400000000, 0.0001373600000000, 0.0006598200000000 ] - [ -0.0000405900000000, 0.0002708100000000, 0.0003022700000000 ] - [ 0.0009929100000000, -0.0007917700000000, 0.0006102500000000 ] - [ -0.0001177600000000, -0.0008809700000000, -0.0006206900000000 ] - [ 0.0010257100000000, 0.0005309000000000, -0.0010663700000000 ] - [ 0.0013198600000000, 0.0014042800000000, 0.0027211000000000 ] - [ -0.0005088000000000, -0.0000180100000000, -0.0002775000000000 ] - [ -0.0012002500000000, -0.0021185200000000, -0.0018972400000000 ] - [ 0.0013387300000000, 0.0011301500000000, -0.0012294800000000 ] - [ -0.0013908800000000, 0.0004606300000000, 0.0016181900000000 ] - [ -0.0004404800000000, -0.0001484000000000, 0.0014536300000000 ] - [ 0.0005178700000000, 0.0000262000000000, -0.0005921000000000 ] - [ 0.0005845400000000, 0.0000583800000000, -0.0001399700000000 ] - [ 0.0004709100000000, 0.0008103500000000, 0.0008711900000000 ] - [ -0.1741228200000000, 0.0916475900000000, 0.0876351800000000 ] - [ -0.0002251800000000, -0.0000845600000000, -0.0012803900000000 ] - [ -0.0217852000000000, 0.0910262200000000, 0.0164440700000000 ] - [ -0.0009057000000000, -0.0003458400000000, -0.0021914300000000 ] - [ 0.0029850200000000, -0.0004012300000000, -0.0002697200000000 ] - [ 0.0008569000000000, 0.0005679100000000, -0.0002048400000000 ] - [ 0.0009937800000000, -0.0010662700000000, 0.0001621700000000 ] - [ 0.0010907100000000, -0.0019038900000000, 0.0004693300000000 ] - [ 0.0030514300000000, -0.0006313700000000, 0.0004989800000000 ] - [ 0.0012274600000000, 0.0001722600000000, 0.0001569600000000 ] - [ 0.0067543000000000, -0.0019139000000000, 0.0020414200000000 ] - [ 0.0009565800000000, -0.0004311500000000, -0.0019187600000000 ] - [ -0.0001092300000000, -0.0003833700000000, -0.0007684200000000 ] - [ -0.0018322800000000, -0.0012096900000000, 0.0001873700000000 ] - [ 0.0029678500000000, -0.0038050100000000, 0.0013574500000000 ] - [ 0.0006974300000000, -0.0002282800000000, -0.0002882700000000 ] - [ 0.0002045100000000, -0.0001667500000000, 0.0019524100000000 ] - [ 0.0027789500000000, -0.0017584800000000, -0.0026011300000000 ] - [ -0.0001947000000000, -0.0009306900000000, -0.0005341700000000 ] - [ -0.0004274400000000, -0.0002625800000000, 0.0001423200000000 ] - [ 0.0002675000000000, 0.0009210200000000, 0.0016347200000000 ] - [ -0.0008046100000000, 0.0002927900000000, -0.0003893500000000 ] - [ -0.0615865800000000, 0.2012582800000000, 0.1367334800000000 ] - [ -0.0001572800000000, -0.0007014800000000, -0.0013608400000000 ] - [ 0.0093160800000000, 0.0147644500000000, 0.0073484600000000 ] - [ -0.0008898800000000, 0.0006668600000000, -0.0010194500000000 ] - [ 0.0010827600000000, -0.0075192700000000, -0.0007057200000000 ] - [ -0.0009270900000000, 0.0007112300000000, 0.0000087900000000 ] - [ 0.0002692100000000, -0.0027463500000000, 0.0006492400000000 ] - [ 0.0000590900000000, -0.0013346200000000, -0.0000987800000000 ] - [ -0.0005611600000000, -0.0010468600000000, -0.0002748000000000 ] - [ -0.0007397400000000, -0.0011315600000000, 0.0006589700000000 ] - [ -0.0004355000000000, -0.0015848200000000, -0.0002136800000000 ] - [ -0.0007122500000000, 0.0003896500000000, 0.0013837600000000 ]- atom: 65 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0001902300000000, 0.0002197700000000, 0.0001525800000000 ] - [ 0.0005360700000000, 0.0003196200000000, 0.0001741500000000 ] - [ -0.0012936200000000, 0.0027930000000000, -0.0054268600000000 ] - [ -0.0054257700000000, 0.0032740400000000, -0.0031226900000000 ] - [ 0.0006676700000000, -0.0008517800000000, 0.0005179000000000 ] - [ 0.0008504300000000, -0.0011440500000000, -0.0000748700000000 ] - [ -0.0035449800000000, -0.0031358200000000, 0.0010068800000000 ] - [ -0.0006250700000000, -0.0002175100000000, -0.0004879200000000 ] - [ 0.0017780900000000, 0.0008963200000000, 0.0008922000000000 ] - [ 0.0002060100000000, 0.0006730600000000, -0.0002675100000000 ] - [ 0.0005784000000000, -0.0095110300000000, 0.0029144700000000 ] - [ 0.0005090100000000, -0.0003173200000000, -0.0006820800000000 ] - [ 0.0262230500000000, 0.0135377100000000, -0.0031316200000000 ] - [ -0.0010912800000000, 0.0020148200000000, -0.0027315600000000 ] - [ -0.0007864900000000, 0.0033212000000000, -0.0007852100000000 ] - [ -0.0020346300000000, 0.0000568000000000, -0.0017332200000000 ] - [ -0.0001258300000000, -0.0002482200000000, 0.0006024800000000 ] - [ 0.0008994700000000, -0.0015910100000000, -0.0006687500000000 ] - [ -0.0003056100000000, -0.0003733900000000, -0.0000887200000000 ] - [ -0.0006083800000000, 0.0002112500000000, -0.0006003700000000 ] - [ 0.0083665600000000, -0.0164380600000000, -0.0061714200000000 ] - [ -0.0000796700000000, 0.0000438400000000, -0.0008003300000000 ] - [ -0.0002334800000000, -0.0019677100000000, -0.0000824700000000 ] - [ -0.0011720500000000, 0.0022721900000000, 0.0020354500000000 ] - [ 0.0000992200000000, -0.0000780300000000, 0.0005183300000000 ] - [ -0.0000163600000000, 0.0002523600000000, 0.0002480900000000 ] - [ 0.0003663500000000, 0.0000481300000000, 0.0003822700000000 ] - [ 0.0008549500000000, -0.0000523300000000, 0.0007122900000000 ] - [ 0.0019476300000000, -0.0009237900000000, 0.0001163400000000 ] - [ 0.0006885500000000, -0.0003306300000000, 0.0002096500000000 ] - [ 0.0003310000000000, 0.0005198000000000, 0.0032332400000000 ] - [ 0.0004210700000000, 0.0003857900000000, -0.0020901300000000 ] - [ -0.0023665300000000, -0.0021080700000000, -0.0020955500000000 ] - [ -0.0000647700000000, -0.0009341500000000, -0.0021190300000000 ] - [ 0.0004598600000000, 0.0005014600000000, -0.0012248900000000 ] - [ -0.0001062800000000, 0.0006786300000000, -0.0002654400000000 ] - [ -0.0001699600000000, 0.0000476200000000, -0.0006361900000000 ] - [ 0.0000426600000000, -0.0013236400000000, -0.0005342200000000 ] - [ 0.0156086800000000, 0.0207298800000000, 0.0107935800000000 ] - [ -0.0007338100000000, -0.0002956600000000, -0.0000241500000000 ] - [ 0.0004107700000000, -0.0011373400000000, -0.0000721600000000 ] - [ 0.0003106000000000, -0.0010052800000000, -0.0005994800000000 ] - [ -0.0019271100000000, -0.0005272500000000, 0.0038398000000000 ] - [ -0.0002045800000000, -0.0002127300000000, -0.0009185600000000 ] - [ -0.0004195500000000, -0.0009068100000000, -0.0004495900000000 ] - [ -0.0005210300000000, -0.0007575200000000, -0.0004701400000000 ] - [ 0.0024226800000000, -0.0010647200000000, 0.0015605900000000 ] - [ 0.0003865900000000, 0.0003365100000000, -0.0006095000000000 ] - [ 0.0007873600000000, -0.0006115400000000, -0.0004623700000000 ] - [ -0.0001404200000000, -0.0001094200000000, -0.0006992100000000 ] - [ -0.0004882700000000, -0.0000269200000000, 0.0008952300000000 ] - [ -0.0004400000000000, -0.0000165700000000, -0.0007292600000000 ] - [ 0.0003109600000000, 0.0002358200000000, 0.0009332500000000 ] - [ 0.0003804500000000, 0.0000184900000000, -0.0004324700000000 ] - [ 0.0005030600000000, -0.0003623000000000, -0.0010383200000000 ] - [ 0.0001313600000000, -0.0002811300000000, -0.0001962200000000 ] - [ 0.0018811300000000, -0.0008232900000000, -0.0007997000000000 ] - [ 0.0009341600000000, -0.0003932300000000, -0.0001654400000000 ] - [ -0.0007472200000000, -0.0002179800000000, 0.0012245000000000 ] - [ -0.0002752100000000, 0.0003263700000000, -0.0002535400000000 ] - [ -0.0000116500000000, -0.0008175400000000, -0.0004787400000000 ] - [ 0.0003007200000000, 0.0001676800000000, -0.0007722600000000 ] - [ 0.0005500700000000, 0.0000573700000000, -0.0007653800000000 ] - [ 0.0009928300000000, 0.0002566000000000, -0.0002624500000000 ] - [ -0.2743216400000000, 0.3960882200000000, 0.2522378300000000 ] - [ 0.0000534800000000, -0.0010987400000000, -0.0024175500000000 ] - [ 0.0010481800000000, -0.0001133000000000, 0.0006862600000000 ] - [ -0.0002889600000000, 0.0004005400000000, -0.0012885600000000 ] - [ -0.0003184200000000, -0.0008283200000000, -0.0009422200000000 ] - [ -0.0039644500000000, -0.0029021400000000, -0.0017061400000000 ] - [ 0.0058769300000000, -0.0046048500000000, -0.0011906700000000 ] - [ 0.0010924100000000, -0.0002947900000000, -0.0012269300000000 ] - [ 0.0019963300000000, -0.0000960700000000, -0.0002758600000000 ] - [ 0.0000010400000000, 0.0012995300000000, -0.0000069500000000 ] - [ -0.0011301000000000, -0.0012886200000000, -0.0000670000000000 ] - [ -0.0009115100000000, -0.0000727400000000, -0.0000392500000000 ] - [ -0.0014234100000000, 0.0000516200000000, -0.0005550100000000 ] - [ -0.0001584300000000, 0.0004068900000000, 0.0005333600000000 ] - [ 0.0021971100000000, 0.0012473100000000, 0.0033585400000000 ] - [ -0.0017989300000000, -0.0053990700000000, 0.0042793300000000 ] - [ 0.0016699400000000, -0.0018183900000000, -0.0007193900000000 ] - [ 0.0012617600000000, 0.0018526600000000, 0.0018393200000000 ] - [ 0.0007967200000000, 0.0002138900000000, 0.0001466300000000 ] - [ 0.0009074300000000, -0.0002205800000000, 0.0002126000000000 ] - [ -0.0001202500000000, 0.0005171000000000, -0.0000619400000000 ] - [ -0.0014592000000000, 0.0003500600000000, 0.0018753900000000 ] - [ 0.0005546200000000, -0.0004885100000000, -0.0024900400000000 ] - [ 0.0002896500000000, -0.0001564700000000, 0.0007012700000000 ] - [ -0.0010203200000000, -0.0005323300000000, 0.0000974500000000 ] - [ -0.0002915300000000, -0.0006607300000000, 0.0004659300000000 ] - [ -0.0013059400000000, -0.0005543600000000, -0.0002834600000000 ] - [ -0.0001822900000000, -0.0004629200000000, 0.0009465500000000 ] - [ -0.0005433800000000, 0.0013286300000000, 0.0017368300000000 ] - [ -0.0008283400000000, 0.0004551200000000, -0.0020426100000000 ] - [ 0.0007943800000000, 0.0006083100000000, 0.0005082300000000 ] - [ 0.0015067400000000, 0.0027141600000000, 0.0021652100000000 ] - [ -0.0015575600000000, -0.0004439200000000, 0.0007477700000000 ] - [ 0.0011799800000000, 0.0002332000000000, -0.0021027200000000 ] - [ 0.0017578500000000, 0.0005597100000000, -0.0011309900000000 ] - [ 0.0007937900000000, 0.0003762900000000, 0.0009164200000000 ] - [ -0.0012273000000000, -0.0001094100000000, 0.0003710500000000 ] - [ -0.0011104100000000, -0.0008558000000000, -0.0006359900000000 ] - [ 0.1672108800000000, -0.0932041900000000, -0.0826146700000000 ] - [ -0.0000677600000000, -0.0005021800000000, 0.0015166500000000 ] - [ 0.0206701900000000, -0.0916775000000000, -0.0169631400000000 ] - [ 0.0002053000000000, 0.0005138800000000, 0.0017053200000000 ] - [ -0.0026765600000000, 0.0007740800000000, 0.0010656200000000 ] - [ -0.0005246300000000, -0.0001827200000000, 0.0009722000000000 ] - [ 0.0003644300000000, -0.0002760200000000, 0.0005055600000000 ] - [ 0.0002696300000000, 0.0005615900000000, 0.0002016100000000 ] - [ -0.0011992400000000, 0.0011190800000000, 0.0001597600000000 ] - [ 0.0006098800000000, 0.0003132200000000, 0.0005069500000000 ] - [ -0.0066309200000000, 0.0012091100000000, -0.0025457900000000 ] - [ -0.0007491600000000, -0.0002686400000000, 0.0014378000000000 ] - [ 0.0008108000000000, 0.0002235300000000, 0.0002792400000000 ] - [ 0.0025386200000000, 0.0010409600000000, -0.0006676800000000 ] - [ -0.0023467500000000, 0.0038685100000000, -0.0011255800000000 ] - [ -0.0000517300000000, 0.0002738400000000, 0.0005234400000000 ] - [ 0.0008067100000000, -0.0007783800000000, -0.0016465500000000 ] - [ -0.0017667700000000, 0.0008055200000000, 0.0029398900000000 ] - [ -0.0003034700000000, 0.0004088700000000, 0.0000472200000000 ] - [ -0.0000714000000000, -0.0002624000000000, -0.0006245600000000 ] - [ -0.0007461400000000, -0.0008089000000000, -0.0008734700000000 ] - [ 0.0002971300000000, -0.0001912100000000, 0.0011606400000000 ] - [ 0.0623703000000000, -0.2095135800000000, -0.1470337100000000 ] - [ 0.0003271000000000, 0.0002073100000000, 0.0021398400000000 ] - [ -0.0103392700000000, -0.0138720700000000, -0.0070416200000000 ] - [ -0.0001182000000000, 0.0002611100000000, 0.0013473200000000 ] - [ -0.0024447400000000, 0.0087859200000000, 0.0013560800000000 ] - [ -0.0004309100000000, 0.0006377100000000, 0.0006625700000000 ] - [ -0.0007483000000000, 0.0009006100000000, 0.0000161200000000 ] - [ -0.0005440800000000, -0.0005142100000000, 0.0007695900000000 ] - [ -0.0012765800000000, 0.0005611200000000, 0.0009301300000000 ] - [ -0.0010997800000000, 0.0006462100000000, 0.0000106400000000 ] - [ 0.0007968900000000, 0.0010722800000000, 0.0004439400000000 ] - [ 0.0010744800000000, -0.0009159800000000, -0.0011473000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006485500000000, 0.0003754700000000, 0.0003823400000000 ] - [ 0.0003175100000000, 0.0004661300000000, 0.0000573000000000 ] - [ -0.0029612100000000, -0.0021197800000000, 0.0094185400000000 ] - [ 0.0054029200000000, -0.0004511700000000, 0.0095425000000000 ] - [ -0.0002252800000000, -0.0002993000000000, 0.0000133800000000 ] - [ -0.0005997900000000, -0.0000348400000000, 0.0004308900000000 ] - [ 0.0010513200000000, 0.0020272400000000, -0.0012640000000000 ] - [ -0.0002529900000000, -0.0005030400000000, 0.0011304800000000 ] - [ -0.0017056900000000, 0.0001757600000000, -0.0005935000000000 ] - [ -0.0002873900000000, 0.0004207300000000, 0.0008307700000000 ] - [ 0.0006693400000000, 0.0057088100000000, -0.0048030900000000 ] - [ 0.0004409500000000, -0.0000127900000000, 0.0014038400000000 ] - [ -0.0280619200000000, -0.0130562700000000, -0.0024772700000000 ] - [ 0.0013866600000000, -0.0014336700000000, 0.0034102600000000 ] - [ 0.0000470300000000, -0.0025597400000000, -0.0004838900000000 ] - [ 0.0019593800000000, 0.0002303400000000, 0.0016022200000000 ] - [ 0.0006025200000000, 0.0001140200000000, 0.0004128600000000 ] - [ -0.0005253700000000, 0.0018940100000000, 0.0018913900000000 ] - [ -0.0011717500000000, 0.0008965100000000, -0.0007750700000000 ] - [ -0.0008870100000000, 0.0004314700000000, -0.0000618300000000 ] - [ -0.0036351400000000, 0.0152756800000000, 0.0017673400000000 ] - [ 0.0004556300000000, -0.0006129400000000, -0.0002997200000000 ] - [ -0.0000885700000000, 0.0014887500000000, 0.0012226800000000 ] - [ 0.0002947100000000, -0.0038781000000000, -0.0007205200000000 ] - [ -0.0001308600000000, 0.0010978800000000, 0.0001075000000000 ] - [ 0.0000049300000000, 0.0004653100000000, 0.0004885500000000 ] - [ -0.0008126700000000, 0.0002523800000000, 0.0003821100000000 ] - [ -0.0011330900000000, 0.0003220100000000, 0.0000318100000000 ] - [ -0.0010496300000000, 0.0004510200000000, 0.0004920600000000 ] - [ 0.0000293600000000, -0.0000550400000000, 0.0005061600000000 ] - [ 0.0009501500000000, -0.0006144300000000, -0.0022857500000000 ] - [ -0.0002448500000000, 0.0002862100000000, 0.0028409700000000 ] - [ 0.0089307800000000, 0.0058050300000000, 0.0027915500000000 ] - [ 0.0006350000000000, 0.0005371400000000, 0.0032783800000000 ] - [ -0.0006544600000000, 0.0007863000000000, 0.0006891100000000 ] - [ -0.0000394100000000, 0.0008508100000000, -0.0003382600000000 ] - [ -0.0001830600000000, 0.0002689800000000, -0.0005708900000000 ] - [ -0.0004769600000000, 0.0021125900000000, -0.0007841800000000 ] - [ -0.0146743300000000, -0.0208819800000000, -0.0092775300000000 ] - [ 0.0000947800000000, -0.0000332600000000, 0.0007855100000000 ] - [ -0.0000471700000000, -0.0006502300000000, -0.0008230000000000 ] - [ -0.0001061300000000, -0.0007197000000000, -0.0000626100000000 ] - [ 0.0019707700000000, -0.0000139800000000, -0.0032435700000000 ] - [ 0.0000745100000000, -0.0004030400000000, 0.0015549300000000 ] - [ -0.0008711500000000, -0.0001446100000000, -0.0002861600000000 ] - [ -0.0008352200000000, -0.0002502100000000, -0.0002119600000000 ] - [ 0.0003203700000000, 0.0009778600000000, -0.0023800700000000 ] - [ 0.0009001600000000, 0.0006421000000000, -0.0000230300000000 ] - [ -0.0013231200000000, 0.0004824900000000, -0.0008059500000000 ] - [ -0.0004602900000000, 0.0000010600000000, -0.0005357700000000 ] - [ -0.0001475700000000, -0.0001502400000000, -0.0003010400000000 ] - [ -0.0002295500000000, -0.0002252300000000, 0.0013457600000000 ] - [ 0.0003505600000000, -0.0000086200000000, -0.0006413000000000 ] - [ 0.0002214600000000, 0.0002573900000000, 0.0012014300000000 ] - [ 0.0001713500000000, 0.0003862300000000, -0.0002118500000000 ] - [ 0.0006241400000000, 0.0000310300000000, -0.0010423300000000 ] - [ -0.0004210400000000, 0.0001897500000000, 0.0002143800000000 ] - [ 0.0007632500000000, -0.0003670600000000, -0.0003072600000000 ] - [ 0.0003022600000000, 0.0008146700000000, -0.0009716300000000 ] - [ -0.0002901200000000, 0.0000542400000000, 0.0012716600000000 ] - [ 0.0003518400000000, 0.0012922200000000, -0.0008248300000000 ] - [ 0.0000121100000000, 0.0004470800000000, -0.0004455500000000 ] - [ -0.0007761200000000, -0.0007109800000000, -0.0004957600000000 ] - [ -0.0004442000000000, -0.0001868300000000, -0.0011276100000000 ] - [ 0.1342147000000000, -0.2059653100000000, -0.5022581400000000 ] - [ -0.0004638200000000, 0.0022190800000000, 0.0020610600000000 ] - [ 0.0009031800000000, -0.0014848300000000, 0.0003731500000000 ] - [ 0.0009723100000000, -0.0006777400000000, 0.0005181900000000 ] - [ 0.0005864800000000, -0.0013224600000000, 0.0013571200000000 ] - [ 0.0049242800000000, 0.0020256000000000, 0.0013650900000000 ] - [ -0.0045982600000000, 0.0037562200000000, 0.0003826200000000 ] - [ -0.0016141700000000, -0.0002563300000000, 0.0005139800000000 ] - [ -0.0010557700000000, 0.0003541500000000, -0.0006076900000000 ] - [ 0.0010210300000000, -0.0008044200000000, -0.0005675200000000 ] - [ 0.0002590300000000, 0.0017721600000000, -0.0005775500000000 ] - [ -0.0000281300000000, -0.0000978200000000, -0.0005973300000000 ] - [ 0.0006125700000000, 0.0002443000000000, 0.0002138200000000 ] - [ -0.0003743400000000, 0.0000778400000000, -0.0004362400000000 ] - [ -0.0044805400000000, -0.0021719900000000, -0.0005816400000000 ] - [ 0.0013258500000000, 0.0039251600000000, -0.0038434100000000 ] - [ -0.0009175900000000, 0.0033220500000000, 0.0006672900000000 ] - [ -0.0014781900000000, -0.0010909000000000, -0.0012318900000000 ] - [ -0.0001309100000000, -0.0005934000000000, 0.0003034800000000 ] - [ -0.0001585800000000, 0.0001999000000000, 0.0003015800000000 ] - [ 0.0001962300000000, 0.0007853000000000, 0.0002393200000000 ] - [ 0.0014972100000000, 0.0009962600000000, -0.0014375300000000 ] - [ 0.0006644500000000, 0.0017752300000000, 0.0014591800000000 ] - [ 0.0000959900000000, 0.0006745500000000, -0.0013380900000000 ] - [ 0.0005037800000000, 0.0000058400000000, 0.0005955400000000 ] - [ -0.0003178500000000, 0.0000937900000000, -0.0000738100000000 ] - [ 0.0008877300000000, -0.0008259300000000, 0.0009080000000000 ] - [ -0.0001688300000000, -0.0009098800000000, -0.0008456800000000 ] - [ 0.0009651200000000, 0.0006992200000000, -0.0009056300000000 ] - [ -0.0009434100000000, 0.0015709200000000, 0.0020262900000000 ] - [ -0.0006668000000000, 0.0005002200000000, -0.0007661100000000 ] - [ -0.0015984900000000, -0.0027385600000000, -0.0028580700000000 ] - [ 0.0010702200000000, 0.0008474900000000, -0.0011567400000000 ] - [ -0.0017802600000000, 0.0002052300000000, 0.0013490300000000 ] - [ -0.0004609600000000, -0.0003969600000000, 0.0018427300000000 ] - [ 0.0006107400000000, 0.0000167500000000, -0.0010165000000000 ] - [ 0.0004182100000000, 0.0000431100000000, -0.0002139100000000 ] - [ -0.0001709700000000, 0.0003708400000000, 0.0008002500000000 ] - [ -0.1285031700000000, 0.0248308400000000, 0.1590930400000000 ] - [ 0.0001641000000000, -0.0002767500000000, -0.0017606800000000 ] - [ 0.0330207900000000, 0.0382774900000000, 0.1014690900000000 ] - [ -0.0008282800000000, -0.0005439300000000, -0.0027172700000000 ] - [ 0.0020620600000000, -0.0005009600000000, 0.0002552200000000 ] - [ 0.0007922000000000, 0.0006505200000000, -0.0005120100000000 ] - [ 0.0009013400000000, -0.0008029500000000, 0.0000976800000000 ] - [ 0.0008511300000000, -0.0019048100000000, 0.0005859800000000 ] - [ 0.0029841200000000, -0.0006369000000000, 0.0006256700000000 ] - [ 0.0010093300000000, 0.0002575900000000, -0.0000127000000000 ] - [ 0.0077138600000000, -0.0016427000000000, 0.0031769000000000 ] - [ 0.0009492300000000, -0.0003740900000000, -0.0021919000000000 ] - [ 0.0005737300000000, 0.0004592400000000, -0.0014128900000000 ] - [ -0.0021551100000000, -0.0013487500000000, 0.0002733200000000 ] - [ 0.0025202800000000, -0.0034896300000000, 0.0012289400000000 ] - [ 0.0006399400000000, -0.0000328000000000, -0.0004474600000000 ] - [ -0.0005710100000000, 0.0003309400000000, 0.0011449000000000 ] - [ 0.0028452300000000, -0.0013656800000000, -0.0028817600000000 ] - [ -0.0000861400000000, -0.0011644600000000, -0.0007140900000000 ] - [ -0.0003696700000000, 0.0000462200000000, 0.0001810200000000 ] - [ -0.0030401700000000, 0.0003099400000000, 0.0021725800000000 ] - [ -0.0008990900000000, 0.0002618000000000, -0.0006324100000000 ] - [ -0.0214462200000000, 0.1442107000000000, 0.2298976700000000 ] - [ 0.0000878900000000, -0.0011220900000000, -0.0019521800000000 ] - [ 0.0085168800000000, 0.0146604500000000, 0.0068857800000000 ] - [ -0.0008787200000000, 0.0005974200000000, -0.0011708300000000 ] - [ 0.0008755800000000, -0.0093523700000000, -0.0003251300000000 ] - [ -0.0008977700000000, 0.0007526900000000, -0.0002050700000000 ] - [ 0.0001923200000000, -0.0025082400000000, 0.0008499700000000 ] - [ 0.0000763100000000, -0.0012501800000000, -0.0002196200000000 ] - [ -0.0005605600000000, -0.0009251100000000, -0.0002921400000000 ] - [ -0.0007337300000000, -0.0007644700000000, 0.0007134000000000 ] - [ -0.0002245100000000, -0.0017040300000000, -0.0004387800000000 ] - [ -0.0001346500000000, 0.0009807800000000, 0.0012496600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001549500000000, 0.0003102900000000, 0.0000431500000000 ] - [ 0.0004860900000000, 0.0002195600000000, 0.0003839300000000 ] - [ 0.0019323100000000, 0.0024307800000000, -0.0088912600000000 ] - [ -0.0064828600000000, 0.0007957700000000, -0.0092415100000000 ] - [ 0.0004183000000000, -0.0007726900000000, 0.0004275200000000 ] - [ 0.0007938000000000, -0.0010348600000000, 0.0000193800000000 ] - [ -0.0018589800000000, -0.0027507000000000, 0.0017000500000000 ] - [ -0.0005492500000000, -0.0001769200000000, -0.0006981900000000 ] - [ 0.0015132200000000, 0.0009010100000000, 0.0010410300000000 ] - [ 0.0000939100000000, 0.0006504100000000, -0.0003858100000000 ] - [ 0.0003315200000000, -0.0060718300000000, 0.0052410500000000 ] - [ 0.0005482100000000, -0.0003344500000000, -0.0009732000000000 ] - [ 0.0282224000000000, 0.0131186600000000, 0.0020335600000000 ] - [ -0.0013516000000000, 0.0014185000000000, -0.0040418200000000 ] - [ -0.0000584800000000, 0.0025496700000000, -0.0001639200000000 ] - [ -0.0019674900000000, -0.0002372600000000, -0.0022328800000000 ] - [ 0.0000544500000000, 0.0002823400000000, 0.0002782200000000 ] - [ 0.0011748100000000, -0.0015064700000000, -0.0011874200000000 ] - [ -0.0003585800000000, -0.0002008100000000, 0.0000580100000000 ] - [ -0.0006441700000000, 0.0002656500000000, -0.0006587100000000 ] - [ 0.0039956300000000, -0.0159898000000000, -0.0030840600000000 ] - [ -0.0000516400000000, -0.0000303200000000, -0.0009582400000000 ] - [ 0.0000993500000000, -0.0022213400000000, -0.0005279700000000 ] - [ -0.0002855800000000, 0.0031509900000000, 0.0014331800000000 ] - [ 0.0001140900000000, -0.0003405000000000, 0.0005864900000000 ] - [ -0.0000224500000000, 0.0003014800000000, 0.0002043600000000 ] - [ 0.0001375900000000, 0.0001168900000000, 0.0003086500000000 ] - [ 0.0004569900000000, 0.0000473900000000, 0.0006615700000000 ] - [ 0.0017195600000000, -0.0008206200000000, 0.0002003600000000 ] - [ 0.0006443800000000, -0.0003138000000000, 0.0001854100000000 ] - [ -0.0008413400000000, 0.0012787500000000, 0.0028348900000000 ] - [ 0.0003564300000000, 0.0003734100000000, -0.0022787600000000 ] - [ -0.0083120600000000, -0.0061553800000000, -0.0021381300000000 ] - [ -0.0001182700000000, -0.0009695500000000, -0.0027367100000000 ] - [ 0.0004836800000000, 0.0008924600000000, -0.0014079500000000 ] - [ -0.0001243400000000, 0.0008250200000000, -0.0003802800000000 ] - [ -0.0002223400000000, 0.0003778100000000, -0.0006867600000000 ] - [ 0.0000708000000000, -0.0014638000000000, -0.0004724100000000 ] - [ 0.0140135300000000, 0.0205196600000000, 0.0099981700000000 ] - [ -0.0007569400000000, -0.0003708800000000, -0.0000955000000000 ] - [ 0.0002091200000000, -0.0010244900000000, 0.0001064300000000 ] - [ 0.0002687700000000, -0.0009535000000000, -0.0006578900000000 ] - [ -0.0020838300000000, -0.0006501600000000, 0.0038083700000000 ] - [ -0.0001851700000000, -0.0002591300000000, -0.0009908400000000 ] - [ -0.0004947000000000, -0.0008369600000000, -0.0004372800000000 ] - [ -0.0005333200000000, -0.0007286100000000, -0.0005066600000000 ] - [ 0.0010584600000000, -0.0000028700000000, 0.0016797700000000 ] - [ 0.0004686100000000, 0.0003383800000000, -0.0006973100000000 ] - [ 0.0005558700000000, -0.0005114500000000, -0.0004524500000000 ] - [ -0.0003060400000000, -0.0000290900000000, -0.0007213600000000 ] - [ -0.0004819500000000, -0.0000860000000000, 0.0008534200000000 ] - [ -0.0003934700000000, -0.0000141500000000, -0.0007739700000000 ] - [ 0.0002756600000000, 0.0002462600000000, 0.0012142700000000 ] - [ 0.0004047200000000, -0.0000196600000000, -0.0006376500000000 ] - [ 0.0005928400000000, -0.0003572200000000, -0.0010482000000000 ] - [ 0.0001404800000000, -0.0000030400000000, -0.0002113500000000 ] - [ 0.0019620100000000, -0.0008912800000000, -0.0009443200000000 ] - [ 0.0007668600000000, -0.0003290600000000, -0.0004121500000000 ] - [ -0.0008220500000000, -0.0003893100000000, 0.0015441700000000 ] - [ -0.0002295800000000, 0.0003711200000000, -0.0007059200000000 ] - [ 0.0000086700000000, -0.0006162200000000, -0.0004333900000000 ] - [ 0.0003469900000000, 0.0002295000000000, -0.0008113500000000 ] - [ 0.0004124400000000, 0.0000308000000000, -0.0007648000000000 ] - [ 0.0000814700000000, -0.0004963400000000, -0.0001247200000000 ] - [ -0.1302308500000000, 0.2177820900000000, 0.5100453000000000 ] - [ 0.0004973200000000, -0.0016316800000000, -0.0030738000000000 ] - [ -0.0004268000000000, 0.0011506600000000, -0.0014044200000000 ] - [ -0.0004667700000000, 0.0003596600000000, -0.0015221300000000 ] - [ -0.0006165300000000, 0.0007197700000000, -0.0023526600000000 ] - [ -0.0049370500000000, -0.0026450000000000, -0.0023449000000000 ] - [ 0.0040769900000000, -0.0040281100000000, -0.0013947300000000 ] - [ 0.0011031000000000, -0.0000195800000000, -0.0015263600000000 ] - [ 0.0015611200000000, -0.0000794900000000, -0.0004135700000000 ] - [ -0.0005177600000000, 0.0010891300000000, -0.0004419000000000 ] - [ -0.0007420000000000, -0.0014491800000000, -0.0004518000000000 ] - [ -0.0004792800000000, 0.0004163600000000, -0.0004032600000000 ] - [ -0.0009805200000000, 0.0003030000000000, 0.0000312200000000 ] - [ 0.0000010800000000, 0.0004528000000000, 0.0006655400000000 ] - [ 0.0031345200000000, 0.0017455200000000, 0.0008797200000000 ] - [ -0.0026714900000000, -0.0043741000000000, 0.0041818100000000 ] - [ 0.0007427500000000, -0.0028124800000000, 0.0001059700000000 ] - [ 0.0013068400000000, 0.0016120000000000, 0.0019935100000000 ] - [ 0.0006391300000000, 0.0005015900000000, 0.0004808100000000 ] - [ 0.0006762500000000, -0.0003026400000000, 0.0004571500000000 ] - [ 0.0001025400000000, 0.0005556500000000, 0.0000971700000000 ] - [ -0.0011928700000000, 0.0003496000000000, 0.0017491200000000 ] - [ -0.0001531600000000, -0.0012462100000000, -0.0019456200000000 ] - [ 0.0003968800000000, -0.0001465400000000, 0.0008501700000000 ] - [ -0.0008279400000000, -0.0003944200000000, 0.0001791900000000 ] - [ -0.0000079300000000, -0.0004854700000000, 0.0008408400000000 ] - [ -0.0011859800000000, -0.0005131900000000, -0.0005856600000000 ] - [ -0.0001332000000000, -0.0004333400000000, 0.0011710800000000 ] - [ -0.0004687600000000, 0.0011432000000000, 0.0015769500000000 ] - [ 0.0014418900000000, 0.0002698400000000, -0.0013751000000000 ] - [ 0.0009494200000000, 0.0000946600000000, 0.0009989200000000 ] - [ 0.0018728000000000, 0.0033186700000000, 0.0030640000000000 ] - [ -0.0012641100000000, -0.0001509900000000, 0.0006767500000000 ] - [ 0.0015891900000000, 0.0004899000000000, -0.0018367800000000 ] - [ 0.0017710600000000, 0.0008030400000000, -0.0015198100000000 ] - [ 0.0007017100000000, 0.0003839600000000, 0.0013405500000000 ] - [ -0.0010575600000000, -0.0000944600000000, 0.0004491100000000 ] - [ -0.0004654200000000, -0.0004271900000000, -0.0005749700000000 ] - [ 0.1215784000000000, -0.0241627700000000, -0.1571414700000000 ] - [ -0.0004445900000000, -0.0003153400000000, 0.0020046200000000 ] - [ -0.0336170200000000, -0.0378262100000000, -0.1026096700000000 ] - [ 0.0001274400000000, 0.0007116200000000, 0.0022421300000000 ] - [ -0.0017268800000000, 0.0008898500000000, 0.0005026600000000 ] - [ -0.0004651500000000, -0.0002584900000000, 0.0012804800000000 ] - [ 0.0004532600000000, -0.0005412400000000, 0.0005738600000000 ] - [ 0.0005057500000000, 0.0005597800000000, 0.0000787100000000 ] - [ -0.0011592300000000, 0.0011249500000000, 0.0000363700000000 ] - [ 0.0008276800000000, 0.0002257300000000, 0.0006725600000000 ] - [ -0.0075105900000000, 0.0009474700000000, -0.0036623500000000 ] - [ -0.0007483300000000, -0.0003168000000000, 0.0017056300000000 ] - [ 0.0001313200000000, -0.0006206400000000, 0.0009251200000000 ] - [ 0.0028533300000000, 0.0011882700000000, -0.0007675100000000 ] - [ -0.0018700500000000, 0.0035345900000000, -0.0009931500000000 ] - [ 0.0000018200000000, 0.0000870800000000, 0.0006779200000000 ] - [ 0.0015680700000000, -0.0012568800000000, -0.0008103000000000 ] - [ -0.0018593200000000, 0.0004445700000000, 0.0031967200000000 ] - [ -0.0004149500000000, 0.0006351900000000, 0.0002349900000000 ] - [ -0.0001253200000000, -0.0005774300000000, -0.0006713000000000 ] - [ 0.0025643500000000, -0.0002020500000000, -0.0014238900000000 ] - [ 0.0003802300000000, -0.0001636600000000, 0.0013962500000000 ] - [ 0.0241530300000000, -0.1574801200000000, -0.2391399300000000 ] - [ 0.0000781100000000, 0.0006400400000000, 0.0027151500000000 ] - [ -0.0095457100000000, -0.0137792600000000, -0.0065820400000000 ] - [ -0.0001204100000000, 0.0003399400000000, 0.0014964000000000 ] - [ -0.0022196300000000, 0.0107801400000000, 0.0010008800000000 ] - [ -0.0004551100000000, 0.0005860000000000, 0.0008728600000000 ] - [ -0.0006799000000000, 0.0006627800000000, -0.0001799400000000 ] - [ -0.0005609100000000, -0.0005969500000000, 0.0008866300000000 ] - [ -0.0012750100000000, 0.0004411900000000, 0.0009582600000000 ] - [ -0.0011009500000000, 0.0002798700000000, -0.0000577600000000 ] - [ 0.0005939100000000, 0.0011516600000000, 0.0006781000000000 ] - [ 0.0005112400000000, -0.0015219400000000, -0.0010367200000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030986900000000, 0.0004369900000000, -0.0031642500000000 ] - [ 0.0032049400000000, 0.0019645100000000, -0.0010059100000000 ] - [ -0.0010970600000000, 0.0002956900000000, 0.0002166300000000 ] - [ -0.0011484800000000, 0.0001606900000000, 0.0001730200000000 ] - [ 0.0000494600000000, -0.0006472500000000, 0.0002864600000000 ] - [ 0.0000879300000000, -0.0008422700000000, 0.0000433100000000 ] - [ -0.0033431800000000, 0.0006711000000000, 0.0012758700000000 ] - [ -0.0005681200000000, -0.0002982200000000, -0.0000199400000000 ] - [ 0.0023713000000000, 0.0027957700000000, 0.0012118600000000 ] - [ 0.0002013600000000, 0.0006860300000000, -0.0000725000000000 ] - [ 0.0006548000000000, -0.0015520700000000, 0.0005828000000000 ] - [ 0.0004867100000000, -0.0004541400000000, 0.0000244200000000 ] - [ -0.0041312900000000, -0.0101038400000000, -0.0022397800000000 ] - [ 0.0000881500000000, -0.0003971500000000, -0.0002991800000000 ] - [ 0.0005363000000000, 0.0017213300000000, 0.0005860800000000 ] - [ 0.0005247500000000, 0.0008472800000000, -0.0008602200000000 ] - [ -0.0001286100000000, -0.0003481700000000, 0.0004251700000000 ] - [ -0.0003481600000000, -0.0005211900000000, 0.0006032200000000 ] - [ -0.0012324800000000, 0.0000203100000000, -0.0001319000000000 ] - [ -0.0009511000000000, 0.0001968900000000, -0.0005240200000000 ] - [ -0.0008695800000000, 0.0004408000000000, -0.0006260600000000 ] - [ 0.0000122700000000, -0.0002119400000000, -0.0006884400000000 ] - [ -0.0002142800000000, -0.0002556900000000, 0.0004381800000000 ] - [ -0.0010968700000000, 0.0002237300000000, -0.0000123100000000 ] - [ 0.0162690400000000, 0.0011621400000000, 0.0031404200000000 ] - [ 0.0001164600000000, 0.0005579400000000, 0.0002137600000000 ] - [ 0.0009250200000000, 0.0004922600000000, 0.0001628600000000 ] - [ 0.0016018000000000, -0.0000542200000000, 0.0007929900000000 ] - [ 0.0001978000000000, -0.0002226000000000, 0.0004386400000000 ] - [ 0.0002453100000000, -0.0001639000000000, 0.0003147600000000 ] - [ -0.0000895800000000, 0.0001241000000000, 0.0009204800000000 ] - [ 0.0001426100000000, 0.0003367100000000, -0.0002710000000000 ] - [ 0.0000130600000000, -0.0002480100000000, 0.0010911300000000 ] - [ 0.0002803500000000, -0.0003535100000000, -0.0009833200000000 ] - [ -0.0008164100000000, 0.0004922500000000, -0.0007347100000000 ] - [ -0.0002853900000000, 0.0008003000000000, -0.0003480900000000 ] - [ -0.0000945800000000, -0.0006705500000000, -0.0006583100000000 ] - [ -0.0002571300000000, -0.0015021900000000, -0.0002315900000000 ] - [ -0.0010687400000000, -0.0001194700000000, 0.0003839100000000 ] - [ -0.0005090100000000, -0.0002792800000000, 0.0002739200000000 ] - [ -0.0017141200000000, -0.0013143000000000, 0.0019432500000000 ] - [ 0.0001176500000000, -0.0005132500000000, -0.0004828200000000 ] - [ -0.0000830300000000, -0.0001659600000000, 0.0005777700000000 ] - [ -0.0001136900000000, -0.0002808800000000, -0.0000379900000000 ] - [ -0.0017054600000000, -0.0017468600000000, -0.0012881900000000 ] - [ -0.0008338000000000, -0.0006823700000000, -0.0000363100000000 ] - [ -0.0002825700000000, 0.0003759600000000, 0.0001490400000000 ] - [ 0.0004858700000000, 0.0003037300000000, -0.0004962900000000 ] - [ -0.0180619600000000, 0.0096066600000000, -0.0039915000000000 ] - [ 0.0000993300000000, 0.0000084300000000, -0.0006304000000000 ] - [ 0.0009912200000000, -0.0002793400000000, 0.0050145300000000 ] - [ -0.0005289700000000, 0.0002371500000000, -0.0009841800000000 ] - [ 0.0002337000000000, 0.0003113200000000, 0.0004731400000000 ] - [ 0.0003258600000000, 0.0001573100000000, 0.0004251900000000 ] - [ -0.0002163700000000, 0.0001636200000000, -0.0006358000000000 ] - [ -0.0005693000000000, 0.0003145500000000, -0.0005520700000000 ] - [ 0.0014526500000000, -0.0025673400000000, -0.0029997100000000 ] - [ 0.0006761600000000, -0.0002267100000000, -0.0001641300000000 ] - [ 0.0001124700000000, -0.0000969100000000, -0.0002278400000000 ] - [ -0.0001304600000000, 0.0002519100000000, -0.0000752700000000 ] - [ -0.0013498600000000, -0.0007842700000000, -0.0004480700000000 ] - [ -0.0001022600000000, 0.0000866600000000, -0.0006482900000000 ] - [ -0.0001247400000000, 0.0001780400000000, -0.0011917000000000 ] - [ 0.0000635700000000, 0.0003640200000000, 0.0000056600000000 ] - [ -0.0041122200000000, -0.0006461900000000, 0.0002941600000000 ] - [ -0.0009066100000000, -0.0002651100000000, -0.0006929000000000 ] - [ 0.1645196100000000, 0.0986600600000000, 0.0811018600000000 ] - [ 0.0004727100000000, 0.0007349600000000, -0.0006369800000000 ] - [ 0.0005210800000000, -0.0010233900000000, -0.0001782200000000 ] - [ 0.0012465100000000, -0.0002748000000000, -0.0000992400000000 ] - [ 0.0000316000000000, -0.0026143000000000, 0.0014430100000000 ] - [ 0.0001135100000000, -0.0003870000000000, -0.0006128300000000 ] - [ -0.0001802400000000, 0.0016865400000000, -0.0000842400000000 ] - [ 0.0002945100000000, 0.0007272900000000, -0.0000737500000000 ] - [ -0.0016731000000000, 0.0003897500000000, 0.0012572300000000 ] - [ -0.0001967600000000, 0.0019442000000000, -0.0010843600000000 ] - [ -0.2035300000000000, -0.1329746300000000, -0.1383587900000000 ] - [ -0.0008096700000000, -0.0001359900000000, 0.0003247600000000 ] - [ -0.0003453200000000, -0.0001572700000000, -0.0004754600000000 ] - [ 0.0009709500000000, 0.0001120400000000, 0.0019434700000000 ] - [ -0.0003075900000000, 0.0004969300000000, -0.0000736000000000 ] - [ -0.0003439900000000, 0.0003296200000000, 0.0002496900000000 ] - [ 0.0024423400000000, -0.0013205100000000, -0.0019429200000000 ] - [ 0.0003856800000000, -0.0007784100000000, 0.0008894500000000 ] - [ -0.0014466100000000, 0.0002189300000000, -0.0025208000000000 ] - [ -0.0019766100000000, 0.0018127700000000, 0.0026265100000000 ] - [ -0.0163577300000000, 0.0221787100000000, 0.0032226700000000 ] - [ 0.0001185300000000, -0.0002245700000000, 0.0005596200000000 ] - [ -0.0004321000000000, -0.0009525700000000, 0.0001644300000000 ] - [ -0.0005040800000000, -0.0005801400000000, 0.0001397300000000 ] - [ -0.0000808700000000, -0.0010979900000000, -0.0002000300000000 ] - [ -0.0001129000000000, -0.0007993900000000, 0.0001786400000000 ] - [ 0.0010108000000000, 0.0006752700000000, 0.0013412900000000 ] - [ 0.0008889000000000, 0.0004132500000000, -0.0003511000000000 ] - [ -0.0002121800000000, 0.0012369600000000, 0.0000411200000000 ] - [ -0.0003688100000000, 0.0014945300000000, -0.0003637200000000 ] - [ 0.0001091300000000, -0.0001290600000000, -0.0002798200000000 ] - [ -0.0001963800000000, 0.0001685400000000, -0.0004760300000000 ] - [ -0.0050521500000000, -0.0065649200000000, 0.0013204800000000 ] - [ 0.0004062600000000, 0.0000875500000000, 0.0005484300000000 ] - [ -0.0007856800000000, -0.0012545200000000, 0.0002874100000000 ] - [ -0.0012451300000000, -0.0006385700000000, -0.0006186900000000 ] - [ 0.0028279900000000, -0.0007207700000000, -0.0009077900000000 ] - [ 0.0004037700000000, -0.0003081700000000, 0.0001889600000000 ] - [ 0.0025349400000000, 0.0016774400000000, -0.0013189300000000 ] - [ 0.0001785700000000, 0.0004516400000000, 0.0005329200000000 ] - [ 0.0001362000000000, 0.0023296100000000, -0.0003309500000000 ] - [ -0.0000570900000000, 0.0002233900000000, 0.0004763200000000 ] - [ 0.0007728200000000, -0.0000924300000000, 0.0018859600000000 ] - [ 0.0015455600000000, 0.0007450100000000, -0.0026939800000000 ] - [ 0.0296929000000000, -0.0156748000000000, 0.0024308800000000 ] - [ 0.0006636500000000, 0.0000504900000000, 0.0004354700000000 ] - [ 0.0001029900000000, 0.0011277900000000, -0.0012658400000000 ] - [ -0.0000743800000000, -0.0000956000000000, 0.0001492700000000 ] - [ -0.0001225000000000, 0.0003507200000000, -0.0000726600000000 ] - [ -0.0003880400000000, -0.0003592000000000, -0.0000788300000000 ] - [ 0.0005634400000000, 0.0020238600000000, -0.0010164100000000 ] - [ 0.0004079500000000, 0.0003036900000000, 0.0001645500000000 ] - [ 0.0008067300000000, 0.0000562000000000, -0.0002614200000000 ] - [ 0.0009194700000000, 0.0007518100000000, 0.0011417500000000 ] - [ 0.0001412900000000, -0.0013407700000000, -0.0008510500000000 ] - [ -0.0002996400000000, -0.0012128100000000, -0.0002794400000000 ] - [ 0.0291621200000000, 0.0295812400000000, 0.0539581000000000 ] - [ -0.0003446100000000, -0.0002352100000000, 0.0004744300000000 ] - [ 0.0016097400000000, 0.0002765800000000, -0.0000230200000000 ] - [ 0.0003496700000000, 0.0001320400000000, 0.0005669000000000 ] - [ 0.0000673000000000, -0.0002679500000000, -0.0000749300000000 ] - [ -0.0003932700000000, 0.0003567400000000, 0.0005133900000000 ] - [ 0.0013154900000000, 0.0006335200000000, 0.0003881200000000 ] - [ -0.0002806600000000, 0.0006716300000000, 0.0005221900000000 ] - [ 0.0018742900000000, 0.0014580900000000, 0.0004159500000000 ] - [ 0.0000053800000000, -0.0005724700000000, 0.0003381100000000 ] - [ -0.0002494700000000, -0.0000426600000000, 0.0005680300000000 ] - [ 0.0000255000000000, -0.0000853400000000, 0.0002205400000000 ] - [ 0.0010741700000000, -0.0001301300000000, -0.0003990800000000 ] - [ 0.0010724000000000, -0.0014940700000000, 0.0009656500000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0022553700000000, 0.0002550800000000, 0.0035817800000000 ] - [ -0.0023971500000000, -0.0012885400000000, 0.0014311700000000 ] - [ 0.0001025500000000, 0.0000532000000000, 0.0002144300000000 ] - [ 0.0001562200000000, 0.0001879400000000, 0.0002584700000000 ] - [ 0.0001417200000000, -0.0004277700000000, 0.0001607600000000 ] - [ 0.0001037400000000, -0.0002317300000000, 0.0004002400000000 ] - [ 0.0025282500000000, -0.0013594100000000, -0.0008405600000000 ] - [ -0.0002377100000000, -0.0003885000000000, 0.0004537100000000 ] - [ -0.0025389200000000, -0.0017053200000000, -0.0007626500000000 ] - [ -0.0003921100000000, 0.0003886600000000, 0.0005179900000000 ] - [ 0.0003470600000000, 0.0012059600000000, -0.0001488900000000 ] - [ 0.0005040300000000, 0.0001080500000000, 0.0004057000000000 ] - [ 0.0041122200000000, 0.0101043800000000, 0.0015485900000000 ] - [ -0.0000897400000000, 0.0003949000000000, -0.0003268000000000 ] - [ -0.0005716600000000, -0.0016846700000000, -0.0011723500000000 ] - [ -0.0005333500000000, -0.0008396200000000, 0.0002182800000000 ] - [ 0.0007822900000000, 0.0007442500000000, 0.0002676100000000 ] - [ 0.0010038500000000, 0.0009199900000000, 0.0000890800000000 ] - [ -0.0003021800000000, 0.0006725800000000, -0.0005863300000000 ] - [ -0.0005817200000000, 0.0004982400000000, -0.0001965400000000 ] - [ 0.0012637500000000, -0.0010847000000000, -0.0006316200000000 ] - [ 0.0003926300000000, -0.0004374400000000, -0.0005687100000000 ] - [ 0.0002305700000000, -0.0005111200000000, 0.0002545200000000 ] - [ 0.0011162800000000, -0.0009923000000000, 0.0007049700000000 ] - [ -0.0163541400000000, 0.0000489700000000, -0.0025371700000000 ] - [ -0.0001336200000000, 0.0002066300000000, 0.0004786300000000 ] - [ -0.0015833500000000, -0.0001261500000000, 0.0005292700000000 ] - [ -0.0022708400000000, 0.0004234100000000, -0.0001014000000000 ] - [ 0.0004711200000000, -0.0001457000000000, 0.0002549800000000 ] - [ 0.0004264600000000, -0.0002046800000000, 0.0003770200000000 ] - [ 0.0001967200000000, 0.0005346600000000, -0.0003492900000000 ] - [ -0.0000334600000000, 0.0003253600000000, 0.0008359700000000 ] - [ 0.0005026500000000, -0.0001771200000000, -0.0005211600000000 ] - [ 0.0002398200000000, -0.0000726600000000, 0.0015486500000000 ] - [ 0.0006461200000000, 0.0011766700000000, 0.0000114700000000 ] - [ 0.0001208200000000, 0.0008730900000000, -0.0003710100000000 ] - [ -0.0003119700000000, 0.0013139300000000, -0.0006002700000000 ] - [ -0.0001463000000000, 0.0021398100000000, -0.0010244900000000 ] - [ 0.0004111700000000, -0.0002710100000000, 0.0003107600000000 ] - [ -0.0001469500000000, -0.0001184000000000, 0.0004181900000000 ] - [ 0.0018702300000000, -0.0003704500000000, -0.0026404700000000 ] - [ 0.0000476700000000, -0.0011622600000000, -0.0002367900000000 ] - [ -0.0000291900000000, -0.0004902900000000, -0.0000135700000000 ] - [ 0.0000040600000000, -0.0003803700000000, 0.0006050200000000 ] - [ 0.0003339600000000, 0.0007575600000000, 0.0005634800000000 ] - [ -0.0005350700000000, -0.0002991900000000, -0.0006819200000000 ] - [ 0.0016415500000000, 0.0006012200000000, -0.0008620400000000 ] - [ 0.0008806900000000, 0.0006733900000000, -0.0002237100000000 ] - [ 0.0172414000000000, -0.0096176700000000, 0.0027182900000000 ] - [ -0.0008641100000000, -0.0000372000000000, -0.0006266100000000 ] - [ -0.0016086100000000, 0.0000379800000000, -0.0043980900000000 ] - [ -0.0000977000000000, -0.0004755500000000, 0.0015517600000000 ] - [ 0.0003889000000000, -0.0000732000000000, 0.0000898200000000 ] - [ 0.0002999200000000, 0.0000811400000000, 0.0001445300000000 ] - [ 0.0009786200000000, -0.0001355400000000, -0.0006220600000000 ] - [ 0.0013320900000000, -0.0002868600000000, -0.0007052000000000 ] - [ 0.0001169300000000, 0.0018372400000000, 0.0022717200000000 ] - [ 0.0008553100000000, -0.0004700400000000, -0.0005536300000000 ] - [ -0.0006231600000000, 0.0005123400000000, 0.0007403800000000 ] - [ -0.0003892600000000, 0.0001732500000000, 0.0006432700000000 ] - [ 0.0017031100000000, 0.0014554400000000, -0.0008080000000000 ] - [ 0.0004608000000000, 0.0005894200000000, -0.0006088900000000 ] - [ -0.0002333900000000, -0.0008502000000000, -0.0000712500000000 ] - [ -0.0004224100000000, -0.0010360300000000, -0.0012554300000000 ] - [ 0.0041206600000000, 0.0012302200000000, -0.0012991800000000 ] - [ 0.0009362000000000, 0.0008542800000000, -0.0003177500000000 ] - [ -0.1662438400000000, -0.1049159700000000, -0.0863768800000000 ] - [ 0.0000318100000000, -0.0010530100000000, -0.0003661500000000 ] - [ -0.0005446600000000, 0.0004249700000000, -0.0008242700000000 ] - [ -0.0012607700000000, -0.0002985800000000, -0.0009178600000000 ] - [ -0.0005460800000000, 0.0023253000000000, -0.0024449300000000 ] - [ -0.0006315500000000, 0.0001137100000000, -0.0003976300000000 ] - [ 0.0006930500000000, -0.0013978700000000, -0.0009228400000000 ] - [ 0.0002156400000000, -0.0004422500000000, -0.0009310200000000 ] - [ 0.0011594000000000, -0.0000697400000000, -0.0022527800000000 ] - [ -0.0003048700000000, -0.0016315100000000, 0.0000750300000000 ] - [ 0.2045515700000000, 0.1399374600000000, 0.1439343600000000 ] - [ 0.0004346200000000, 0.0006679400000000, -0.0000946300000000 ] - [ -0.0009638500000000, -0.0002441400000000, 0.0007965100000000 ] - [ -0.0022863700000000, -0.0005168800000000, -0.0016167300000000 ] - [ 0.0001331400000000, -0.0000094400000000, 0.0008309200000000 ] - [ 0.0001721700000000, 0.0001502200000000, 0.0005244300000000 ] - [ -0.0019474000000000, 0.0012370000000000, 0.0027147000000000 ] - [ 0.0001264600000000, 0.0006816400000000, -0.0001237400000000 ] - [ 0.0017399600000000, 0.0011261000000000, 0.0028152500000000 ] - [ 0.0022777200000000, -0.0004807000000000, -0.0023036100000000 ] - [ 0.0171722100000000, -0.0214155600000000, -0.0036360200000000 ] - [ 0.0003763600000000, 0.0007537200000000, -0.0010464700000000 ] - [ 0.0001011400000000, 0.0005528700000000, 0.0005996300000000 ] - [ 0.0001738100000000, 0.0001844500000000, 0.0006230600000000 ] - [ -0.0002111600000000, -0.0002474500000000, 0.0005233500000000 ] - [ -0.0001882100000000, -0.0005447500000000, 0.0001440100000000 ] - [ -0.0005202200000000, 0.0011702200000000, -0.0006621600000000 ] - [ -0.0003987500000000, 0.0014302800000000, 0.0010108700000000 ] - [ 0.0004889000000000, -0.0006392900000000, 0.0001882400000000 ] - [ 0.0006435600000000, -0.0008996500000000, 0.0005976500000000 ] - [ -0.0003152300000000, 0.0008152800000000, -0.0002079800000000 ] - [ -0.0000067000000000, 0.0005197500000000, -0.0000070400000000 ] - [ 0.0064959200000000, 0.0066781100000000, -0.0009309700000000 ] - [ 0.0009046700000000, 0.0003136900000000, -0.0002243600000000 ] - [ 0.0001371400000000, 0.0011910100000000, -0.0000561700000000 ] - [ 0.0006028700000000, 0.0005752700000000, 0.0008420800000000 ] - [ -0.0030935200000000, 0.0001241800000000, 0.0011343400000000 ] - [ -0.0006857600000000, -0.0002835500000000, 0.0000443700000000 ] - [ -0.0032141200000000, -0.0015013300000000, 0.0008339300000000 ] - [ -0.0008781900000000, -0.0002848900000000, -0.0010190100000000 ] - [ 0.0001947900000000, -0.0019272200000000, 0.0010985200000000 ] - [ 0.0003865100000000, 0.0001668900000000, 0.0002888900000000 ] - [ 0.0005799700000000, -0.0012477900000000, -0.0012098400000000 ] - [ -0.0001917900000000, -0.0020742100000000, 0.0033395900000000 ] - [ -0.0271282000000000, 0.0157217700000000, -0.0017693900000000 ] - [ 0.0011698400000000, 0.0004328700000000, 0.0002242500000000 ] - [ 0.0001063300000000, -0.0018127900000000, 0.0007824500000000 ] - [ 0.0002810100000000, -0.0005999000000000, -0.0006348500000000 ] - [ 0.0008176300000000, -0.0005146400000000, -0.0004178500000000 ] - [ 0.0010751700000000, 0.0001847100000000, -0.0003760100000000 ] - [ 0.0000823300000000, -0.0019624400000000, 0.0012403500000000 ] - [ 0.0002362400000000, -0.0002510600000000, 0.0000661800000000 ] - [ 0.0001994100000000, -0.0009862500000000, 0.0005815200000000 ] - [ 0.0000840100000000, -0.0016804200000000, -0.0008130700000000 ] - [ -0.0006345400000000, 0.0008104800000000, 0.0003610400000000 ] - [ -0.0001959500000000, 0.0006846700000000, -0.0002021200000000 ] - [ -0.0299214600000000, -0.0299204000000000, -0.0542881000000000 ] - [ -0.0001708500000000, 0.0003336400000000, 0.0002883800000000 ] - [ -0.0014330800000000, -0.0007679400000000, 0.0007892600000000 ] - [ -0.0001782200000000, -0.0006220200000000, 0.0002013200000000 ] - [ -0.0010644800000000, 0.0011767900000000, 0.0003975800000000 ] - [ -0.0006113500000000, 0.0005734500000000, -0.0001889600000000 ] - [ -0.0026533800000000, 0.0007135300000000, 0.0002809800000000 ] - [ -0.0010722600000000, 0.0006734500000000, 0.0001456900000000 ] - [ -0.0023518600000000, -0.0032878800000000, 0.0002519800000000 ] - [ -0.0004906600000000, -0.0012723200000000, 0.0003294500000000 ] - [ -0.0015824100000000, -0.0004390000000000, 0.0000945600000000 ] - [ -0.0018573900000000, -0.0003954500000000, 0.0004397000000000 ] - [ -0.0006966000000000, -0.0003982300000000, 0.0006258300000000 ] - [ -0.0006983500000000, 0.0009635200000000, -0.0007335100000000 ]- atom: 77 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ -0.0005635800000000, 0.0025289800000000, 0.0009486800000000 ] - [ 0.0003039200000000, 0.0015185100000000, 0.0006193400000000 ] - [ -0.0004017600000000, -0.0004223200000000, 0.0003141800000000 ] - [ -0.0005882300000000, -0.0003018800000000, 0.0000319700000000 ] - [ 0.0004268700000000, -0.0010969300000000, 0.0005176500000000 ] - [ 0.0003277300000000, -0.0009264100000000, -0.0000863000000000 ] - [ 0.0009247100000000, 0.0009690500000000, 0.0008916900000000 ] - [ -0.0003499200000000, -0.0000837000000000, -0.0000217500000000 ] - [ 0.0020115800000000, -0.0021982500000000, -0.0003995800000000 ] - [ 0.0000408100000000, 0.0003972700000000, 0.0003145500000000 ] - [ -0.0020346400000000, -0.0018698100000000, 0.0002528100000000 ] - [ 0.0001896900000000, -0.0003792400000000, 0.0001557400000000 ] - [ -0.0064322000000000, -0.0019255800000000, -0.0078863100000000 ] - [ -0.0013822500000000, -0.0001061200000000, 0.0011305200000000 ] - [ 0.0060410800000000, -0.0064620000000000, -0.0064324100000000 ] - [ 0.0013508100000000, -0.0009364200000000, 0.0002958700000000 ] - [ -0.0006628400000000, -0.0006937700000000, 0.0006135100000000 ] - [ -0.0007579300000000, -0.0007667500000000, 0.0006623000000000 ] - [ -0.0008565100000000, 0.0004412300000000, -0.0003943100000000 ] - [ -0.0008525500000000, 0.0003963000000000, -0.0003949200000000 ] - [ 0.0006526800000000, -0.0003319700000000, -0.0005363800000000 ] - [ 0.0002225400000000, -0.0003059000000000, -0.0006480100000000 ] - [ -0.0000464300000000, 0.0008357000000000, 0.0005287200000000 ] - [ -0.0000224400000000, 0.0002462000000000, 0.0005282200000000 ] - [ -0.0022483700000000, -0.0235745200000000, 0.0050117400000000 ] - [ -0.0001402200000000, 0.0009719100000000, 0.0002557500000000 ] - [ 0.0010274300000000, -0.0005424200000000, 0.0009805700000000 ] - [ 0.0000902900000000, 0.0000066200000000, -0.0001096400000000 ] - [ 0.0020038900000000, -0.0007972200000000, -0.0001355400000000 ] - [ 0.0007757000000000, -0.0003589100000000, 0.0002312300000000 ] - [ -0.0003580600000000, -0.0000301500000000, 0.0011478200000000 ] - [ 0.0000580300000000, 0.0003700000000000, -0.0000228800000000 ] - [ -0.0000188400000000, 0.0000922400000000, 0.0010312900000000 ] - [ 0.0002515000000000, -0.0003032700000000, -0.0000664600000000 ] - [ 0.0002707800000000, 0.0011719400000000, -0.0000843600000000 ] - [ -0.0000712400000000, 0.0008871300000000, -0.0004066600000000 ] - [ -0.0004813800000000, 0.0007676500000000, -0.0009450300000000 ] - [ -0.0007651000000000, 0.0009740300000000, -0.0002506400000000 ] - [ -0.0010712800000000, -0.0014893300000000, -0.0000365300000000 ] - [ -0.0004407600000000, -0.0004360900000000, 0.0003158900000000 ] - [ -0.0000847600000000, 0.0001439900000000, -0.0010631100000000 ] - [ 0.0001278800000000, -0.0005685400000000, -0.0002339700000000 ] - [ 0.0004041200000000, -0.0010042200000000, 0.0009788400000000 ] - [ 0.0000136700000000, -0.0004466400000000, 0.0002944100000000 ] - [ -0.0013242300000000, 0.0000944500000000, -0.0001545300000000 ] - [ -0.0007479600000000, -0.0003919900000000, -0.0003406100000000 ] - [ 0.0010586200000000, 0.0006717600000000, -0.0006907900000000 ] - [ 0.0007125800000000, 0.0006958800000000, -0.0003761000000000 ] - [ 0.0093148200000000, 0.0055695600000000, 0.0012593400000000 ] - [ -0.0004720500000000, 0.0001285100000000, -0.0006732900000000 ] - [ -0.0001558900000000, -0.0009182100000000, 0.0077340800000000 ] - [ -0.0004275200000000, -0.0000460900000000, -0.0003881500000000 ] - [ 0.0008325100000000, 0.0000232000000000, 0.0008658400000000 ] - [ 0.0004059300000000, -0.0000412900000000, -0.0004507600000000 ] - [ 0.0009919200000000, -0.0001023800000000, -0.0006513700000000 ] - [ 0.0006278000000000, 0.0000334700000000, -0.0006620200000000 ] - [ -0.0005190000000000, 0.0012853400000000, 0.0016328600000000 ] - [ 0.0007528500000000, -0.0002890000000000, -0.0004594200000000 ] - [ -0.0010817900000000, 0.0024402900000000, 0.0082143700000000 ] - [ -0.0002004200000000, 0.0002802300000000, -0.0005822800000000 ] - [ -0.0002676200000000, -0.0002185300000000, -0.0005034200000000 ] - [ 0.0000559400000000, 0.0002241700000000, -0.0006385900000000 ] - [ -0.0000669700000000, -0.0004578300000000, -0.0003130200000000 ] - [ -0.0000922900000000, -0.0005266100000000, -0.0010060100000000 ] - [ -0.0013553400000000, -0.0009924700000000, -0.0009323200000000 ] - [ -0.0002123400000000, 0.0000375300000000, -0.0005757900000000 ] - [ 0.0046044200000000, 0.1500963100000000, 0.0402221100000000 ] - [ 0.0001100700000000, 0.0009848600000000, -0.0006724500000000 ] - [ -0.0027151900000000, -0.0006790400000000, -0.0017596700000000 ] - [ -0.0027512200000000, -0.0028531200000000, 0.0005325000000000 ] - [ 0.0001814400000000, -0.0034728400000000, 0.0017003100000000 ] - [ -0.0002433200000000, -0.0005805400000000, -0.0001851600000000 ] - [ 0.0022392200000000, -0.0019229000000000, -0.0006550200000000 ] - [ 0.0018234600000000, -0.0018144600000000, -0.0012435700000000 ] - [ 0.0025203600000000, 0.0001876000000000, -0.0039992100000000 ] - [ 0.0003476100000000, 0.0012350300000000, -0.0007344300000000 ] - [ -0.0152712900000000, -0.2232706100000000, -0.0436569400000000 ] - [ -0.0002247600000000, -0.0003856700000000, 0.0001296600000000 ] - [ -0.0003225800000000, -0.0011212900000000, -0.0004146000000000 ] - [ -0.0002129200000000, -0.0011283200000000, 0.0007238900000000 ] - [ 0.0007537400000000, 0.0012489200000000, 0.0017759000000000 ] - [ 0.0001994400000000, 0.0019095000000000, -0.0004164400000000 ] - [ -0.0043578500000000, 0.0008118700000000, 0.0036420900000000 ] - [ -0.0000230700000000, -0.0003864800000000, 0.0005058800000000 ] - [ 0.0002310100000000, 0.0014103700000000, -0.0049337100000000 ] - [ 0.0000278500000000, 0.0003261500000000, 0.0013888100000000 ] - [ 0.0384183300000000, 0.0647145100000000, 0.0202703600000000 ] - [ 0.0003853600000000, -0.0005165800000000, 0.0000991200000000 ] - [ -0.0014292900000000, 0.0012950600000000, 0.0001170500000000 ] - [ -0.0005761900000000, 0.0004778500000000, 0.0007858600000000 ] - [ -0.0025457800000000, -0.0000693200000000, 0.0000132700000000 ] - [ -0.0005267500000000, -0.0004925600000000, 0.0006753100000000 ] - [ -0.0001418700000000, 0.0008425600000000, -0.0002393200000000 ] - [ 0.0000245300000000, 0.0009881900000000, 0.0008081500000000 ] - [ 0.0020494300000000, 0.0003250400000000, 0.0007532900000000 ] - [ 0.0017836700000000, 0.0007090600000000, -0.0003550400000000 ] - [ -0.0014356600000000, 0.0019256100000000, 0.0001742500000000 ] - [ -0.0011798900000000, 0.0013818200000000, -0.0005363800000000 ] - [ -0.0110507500000000, 0.0475037300000000, -0.0139644600000000 ] - [ 0.0006429600000000, -0.0001162800000000, 0.0007086100000000 ] - [ -0.0015042400000000, 0.0015629800000000, 0.0001097700000000 ] - [ -0.0013041600000000, 0.0012774500000000, 0.0012706200000000 ] - [ 0.0008425500000000, 0.0005453000000000, -0.0001646100000000 ] - [ -0.0000160200000000, -0.0001238600000000, 0.0000983200000000 ] - [ 0.0017793300000000, 0.0005905200000000, -0.0001955500000000 ] - [ -0.0000544500000000, 0.0000829300000000, -0.0000634000000000 ] - [ 0.0006059200000000, 0.0029692000000000, 0.0002828700000000 ] - [ 0.0001878200000000, 0.0005242700000000, 0.0000555900000000 ] - [ 0.0013939900000000, -0.0017745300000000, 0.0006565600000000 ] - [ 0.0013323700000000, -0.0019248700000000, 0.0002894100000000 ] - [ -0.0191358800000000, 0.0054973200000000, -0.0015875600000000 ] - [ 0.0009595100000000, 0.0000730800000000, 0.0004113700000000 ] - [ 0.0005658900000000, 0.0017426300000000, -0.0004579200000000 ] - [ 0.0001334600000000, -0.0001005400000000, -0.0001787400000000 ] - [ 0.0012136800000000, 0.0011880400000000, 0.0011093000000000 ] - [ 0.0020414900000000, 0.0009899200000000, -0.0048532400000000 ] - [ -0.0008897900000000, 0.0020206300000000, -0.0010265100000000 ] - [ 0.0001125600000000, 0.0004505600000000, 0.0000401900000000 ] - [ 0.0013891900000000, 0.0003542700000000, -0.0006044000000000 ] - [ 0.0012179000000000, 0.0009597600000000, 0.0008249000000000 ] - [ -0.0014140800000000, 0.0007816600000000, 0.0012534500000000 ] - [ -0.0007238100000000, -0.0006880800000000, -0.0006767900000000 ] - [ 0.0007927000000000, -0.0284432400000000, -0.0114075400000000 ] - [ -0.0000257500000000, -0.0006897400000000, 0.0006328200000000 ] - [ 0.0010442800000000, 0.0008128100000000, 0.0006123600000000 ] - [ 0.0002947100000000, 0.0000771200000000, 0.0004336400000000 ] - [ -0.0012054700000000, 0.0035191700000000, 0.0000013500000000 ] - [ -0.0005575500000000, 0.0008636600000000, 0.0001110300000000 ] - [ -0.0016090600000000, 0.0001802800000000, 0.0001293400000000 ] - [ -0.0007595700000000, 0.0005647400000000, 0.0003852100000000 ] - [ 0.0010159800000000, -0.0010945200000000, 0.0001419200000000 ] - [ -0.0000348000000000, -0.0009472200000000, 0.0003427400000000 ] - [ -0.0012560400000000, -0.0002184400000000, 0.0002467000000000 ] - [ -0.0010190400000000, -0.0002295200000000, 0.0004237600000000 ] - [ -0.0013248200000000, -0.0017481700000000, 0.0015324400000000 ] - [ -0.0001373200000000, -0.0010699400000000, 0.0003540900000000 ]- atom: 77 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0013827600000000, -0.0018219900000000, -0.0005195600000000 ] - [ 0.0005220700000000, -0.0008053600000000, -0.0002155500000000 ] - [ -0.0005917200000000, 0.0007625300000000, 0.0001162100000000 ] - [ -0.0004064900000000, 0.0006411800000000, 0.0003997000000000 ] - [ -0.0002333900000000, 0.0000180000000000, -0.0000720000000000 ] - [ -0.0001355000000000, -0.0001510600000000, 0.0005313800000000 ] - [ -0.0017513600000000, -0.0016304300000000, -0.0004361000000000 ] - [ -0.0004579100000000, -0.0006002800000000, 0.0004503600000000 ] - [ -0.0021792100000000, 0.0032587300000000, 0.0008462600000000 ] - [ -0.0002287400000000, 0.0006746800000000, 0.0001296900000000 ] - [ 0.0030004500000000, 0.0015049700000000, 0.0001816400000000 ] - [ 0.0007981600000000, 0.0000315700000000, 0.0002733400000000 ] - [ 0.0063930800000000, 0.0017859000000000, 0.0072296200000000 ] - [ 0.0013708000000000, 0.0000936500000000, -0.0017580900000000 ] - [ -0.0059730300000000, 0.0064206200000000, 0.0057229800000000 ] - [ -0.0013370800000000, 0.0009417500000000, -0.0009281700000000 ] - [ 0.0013084300000000, 0.0010822700000000, 0.0000808200000000 ] - [ 0.0014027100000000, 0.0011545300000000, 0.0000339700000000 ] - [ -0.0006767000000000, 0.0002552500000000, -0.0003237800000000 ] - [ -0.0006793800000000, 0.0003001300000000, -0.0003271000000000 ] - [ -0.0002513000000000, -0.0003147800000000, -0.0007206100000000 ] - [ 0.0001827900000000, -0.0003441900000000, -0.0006102300000000 ] - [ 0.0000610500000000, -0.0015923400000000, 0.0001659100000000 ] - [ 0.0000263800000000, -0.0010069300000000, 0.0001572800000000 ] - [ 0.0019935600000000, 0.0244342300000000, -0.0045111300000000 ] - [ 0.0001215000000000, -0.0001967000000000, 0.0004345800000000 ] - [ -0.0016781600000000, 0.0009032000000000, -0.0002826600000000 ] - [ -0.0007449400000000, 0.0003552500000000, 0.0008036400000000 ] - [ -0.0013226900000000, 0.0004247000000000, 0.0008243600000000 ] - [ -0.0001004000000000, -0.0000110600000000, 0.0004592700000000 ] - [ 0.0004648300000000, 0.0006889100000000, -0.0005766500000000 ] - [ 0.0000509200000000, 0.0002909900000000, 0.0005873500000000 ] - [ 0.0005359900000000, -0.0005185400000000, -0.0004559800000000 ] - [ 0.0002684700000000, -0.0001243200000000, 0.0006195200000000 ] - [ -0.0004357900000000, 0.0005017100000000, -0.0006375200000000 ] - [ -0.0000927200000000, 0.0007866600000000, -0.0003142600000000 ] - [ 0.0000709300000000, -0.0001134100000000, -0.0003200300000000 ] - [ 0.0003547600000000, -0.0003181200000000, -0.0010023300000000 ] - [ 0.0004035300000000, 0.0010777900000000, 0.0007252000000000 ] - [ -0.0002169400000000, 0.0000342700000000, 0.0003756300000000 ] - [ 0.0002502100000000, -0.0018155700000000, 0.0003487200000000 ] - [ 0.0000364400000000, -0.0011049700000000, -0.0004863700000000 ] - [ -0.0005073500000000, 0.0003350200000000, -0.0003983500000000 ] - [ -0.0001226800000000, -0.0002158700000000, 0.0002690600000000 ] - [ -0.0000569200000000, -0.0010742300000000, -0.0005711600000000 ] - [ -0.0006202300000000, -0.0005860300000000, -0.0003800200000000 ] - [ 0.0003062300000000, 0.0003063400000000, -0.0000273800000000 ] - [ 0.0006549000000000, 0.0002824400000000, -0.0003458100000000 ] - [ -0.0098605600000000, -0.0058299900000000, -0.0025674500000000 ] - [ -0.0002915000000000, -0.0001567000000000, -0.0005854500000000 ] - [ -0.0004786800000000, 0.0006463300000000, -0.0071287000000000 ] - [ -0.0002006900000000, -0.0001892000000000, 0.0009419300000000 ] - [ -0.0002020300000000, 0.0002171300000000, -0.0002871900000000 ] - [ 0.0002211900000000, 0.0002777800000000, 0.0010114000000000 ] - [ -0.0002242000000000, 0.0001300500000000, -0.0006070500000000 ] - [ 0.0001314200000000, -0.0000024100000000, -0.0005950300000000 ] - [ 0.0020932100000000, -0.0019970300000000, -0.0023616600000000 ] - [ 0.0007789400000000, -0.0004081400000000, -0.0002609800000000 ] - [ 0.0005582100000000, -0.0019726500000000, -0.0075871400000000 ] - [ -0.0003178400000000, 0.0001468400000000, 0.0011369600000000 ] - [ 0.0006188000000000, 0.0008878500000000, -0.0007530700000000 ] - [ 0.0003019900000000, 0.0004514600000000, -0.0006189400000000 ] - [ -0.0002906500000000, -0.0002187400000000, -0.0009457800000000 ] - [ -0.0002645900000000, -0.0001500900000000, -0.0002495200000000 ] - [ 0.0013460800000000, 0.0015585500000000, -0.0000858600000000 ] - [ 0.0002362400000000, 0.0005424400000000, -0.0004397800000000 ] - [ -0.0059104500000000, -0.1507857700000000, -0.0423624900000000 ] - [ 0.0003915800000000, -0.0012955600000000, -0.0003357700000000 ] - [ 0.0026624800000000, 0.0000901100000000, 0.0007296000000000 ] - [ 0.0027040700000000, 0.0022432700000000, -0.0015322500000000 ] - [ -0.0007035400000000, 0.0031758700000000, -0.0026909800000000 ] - [ -0.0002738300000000, 0.0003033500000000, -0.0008242400000000 ] - [ -0.0017059400000000, 0.0021794600000000, -0.0003615700000000 ] - [ -0.0012887100000000, 0.0020733100000000, 0.0002313000000000 ] - [ -0.0030170500000000, 0.0001407400000000, 0.0029808200000000 ] - [ -0.0008456600000000, -0.0008807900000000, -0.0002786300000000 ] - [ 0.0169773300000000, 0.2241456900000000, 0.0454679200000000 ] - [ -0.0001500500000000, 0.0009119400000000, 0.0001070300000000 ] - [ -0.0009828800000000, 0.0007147300000000, 0.0007322000000000 ] - [ -0.0010831200000000, 0.0007358400000000, -0.0003803100000000 ] - [ -0.0009154200000000, -0.0007518800000000, -0.0009886000000000 ] - [ -0.0003695900000000, -0.0014046800000000, 0.0011779400000000 ] - [ 0.0048283200000000, -0.0009111300000000, -0.0028560200000000 ] - [ 0.0005397200000000, 0.0002729200000000, 0.0002634800000000 ] - [ 0.0000667000000000, -0.0000457700000000, 0.0052180500000000 ] - [ 0.0002579100000000, 0.0010337500000000, -0.0010410200000000 ] - [ -0.0387356500000000, -0.0652324300000000, -0.0209886600000000 ] - [ 0.0001115200000000, 0.0010387700000000, -0.0005755200000000 ] - [ 0.0010865000000000, -0.0016755200000000, 0.0006490000000000 ] - [ 0.0002379600000000, -0.0008665000000000, -0.0000209500000000 ] - [ 0.0022255600000000, -0.0012763700000000, 0.0003035300000000 ] - [ 0.0002233000000000, -0.0008514000000000, -0.0003455200000000 ] - [ 0.0006270800000000, 0.0010038100000000, 0.0009129800000000 ] - [ 0.0004613000000000, 0.0008581700000000, -0.0001408200000000 ] - [ -0.0017476800000000, 0.0002661300000000, -0.0005107300000000 ] - [ -0.0014881000000000, -0.0001146200000000, 0.0005797000000000 ] - [ 0.0012188400000000, -0.0012186100000000, -0.0006507300000000 ] - [ 0.0009613500000000, -0.0006799400000000, 0.0000452400000000 ] - [ 0.0121199400000000, -0.0458952300000000, 0.0139792500000000 ] - [ 0.0006675800000000, 0.0005102500000000, -0.0003756100000000 ] - [ 0.0008447500000000, -0.0016022500000000, 0.0001256600000000 ] - [ 0.0006453200000000, -0.0013190400000000, -0.0010364900000000 ] - [ -0.0010976900000000, -0.0011299100000000, 0.0003929400000000 ] - [ -0.0002638400000000, -0.0004643300000000, 0.0001368700000000 ] - [ -0.0024423700000000, -0.0003913400000000, -0.0002995700000000 ] - [ -0.0006376700000000, 0.0000886800000000, -0.0004138200000000 ] - [ -0.0002703800000000, -0.0025554400000000, 0.0004739800000000 ] - [ 0.0001434100000000, -0.0001297500000000, 0.0007079300000000 ] - [ -0.0000385100000000, 0.0004143000000000, 0.0000182300000000 ] - [ 0.0000161200000000, 0.0005701900000000, 0.0003756700000000 ] - [ 0.0213458700000000, -0.0050971600000000, 0.0022855700000000 ] - [ 0.0008725200000000, 0.0004102300000000, 0.0002517400000000 ] - [ -0.0003576300000000, -0.0024267700000000, -0.0000370400000000 ] - [ 0.0000724300000000, -0.0005913000000000, -0.0003058000000000 ] - [ -0.0005120500000000, -0.0013489000000000, -0.0015772500000000 ] - [ -0.0013329200000000, -0.0011593300000000, 0.0043210400000000 ] - [ 0.0015306300000000, -0.0019512900000000, 0.0012493400000000 ] - [ 0.0005307900000000, -0.0003959100000000, 0.0001908200000000 ] - [ -0.0003760000000000, -0.0012765200000000, 0.0009255700000000 ] - [ -0.0002043100000000, -0.0018799400000000, -0.0004938300000000 ] - [ 0.0009089800000000, -0.0013141000000000, -0.0017272400000000 ] - [ 0.0002223800000000, 0.0001403400000000, 0.0001832300000000 ] - [ -0.0009056800000000, 0.0287250800000000, 0.0124804300000000 ] - [ -0.0004850200000000, 0.0007839000000000, 0.0001315400000000 ] - [ -0.0008599500000000, -0.0012872700000000, 0.0001575600000000 ] - [ -0.0001207900000000, -0.0005608900000000, 0.0003377700000000 ] - [ 0.0001940000000000, -0.0025575100000000, 0.0003186200000000 ] - [ -0.0004470000000000, 0.0000706100000000, 0.0002158800000000 ] - [ 0.0002623500000000, 0.0011603700000000, 0.0005382100000000 ] - [ -0.0005934200000000, 0.0007781600000000, 0.0002859000000000 ] - [ -0.0014795600000000, -0.0007440900000000, 0.0005249300000000 ] - [ -0.0004476300000000, -0.0009005100000000, 0.0003269700000000 ] - [ -0.0005782800000000, -0.0002659500000000, 0.0004172900000000 ] - [ -0.0008100300000000, -0.0002574400000000, 0.0002370600000000 ] - [ 0.0016886800000000, 0.0012016500000000, -0.0012901600000000 ] - [ 0.0005154700000000, 0.0005169600000000, -0.0001095100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012561200000000, 0.0008906900000000, 0.0089517100000000 ] - [ 0.0015378600000000, 0.0013287600000000, -0.0027602600000000 ] - [ -0.0006772500000000, 0.0000600000000000, 0.0004415700000000 ] - [ -0.0009044300000000, 0.0000740700000000, -0.0000276700000000 ] - [ 0.0002615500000000, -0.0006123800000000, 0.0004289900000000 ] - [ 0.0001379600000000, -0.0006860900000000, -0.0000116700000000 ] - [ -0.0017429900000000, 0.0011546800000000, 0.0025344100000000 ] - [ -0.0003566900000000, -0.0002879100000000, -0.0005241900000000 ] - [ 0.0009698100000000, 0.0008066700000000, 0.0009359000000000 ] - [ -0.0000623100000000, 0.0006721500000000, -0.0002683500000000 ] - [ 0.0004019200000000, -0.0008639800000000, 0.0009383300000000 ] - [ 0.0004487900000000, -0.0004181000000000, -0.0003220800000000 ] - [ -0.0017232500000000, -0.0097144800000000, -0.0031076400000000 ] - [ 0.0012211000000000, 0.0008318800000000, -0.0017598300000000 ] - [ 0.0004751500000000, -0.0018377800000000, 0.0023357400000000 ] - [ 0.0001680700000000, 0.0004014800000000, -0.0018552600000000 ] - [ -0.0002419400000000, -0.0003927100000000, 0.0004694600000000 ] - [ 0.0000841900000000, -0.0000711700000000, 0.0004535100000000 ] - [ -0.0007893700000000, 0.0003132100000000, -0.0000974500000000 ] - [ -0.0010039500000000, 0.0002439400000000, -0.0006187700000000 ] - [ -0.0001617100000000, 0.0002146600000000, -0.0004950500000000 ] - [ 0.0001086900000000, -0.0003264600000000, -0.0007433700000000 ] - [ 0.0001389900000000, 0.0002920800000000, 0.0003912200000000 ] - [ -0.0009628900000000, 0.0000797200000000, -0.0001867200000000 ] - [ 0.0034690500000000, -0.0008737500000000, 0.0170831500000000 ] - [ 0.0000409100000000, 0.0004839000000000, 0.0000414000000000 ] - [ -0.0010734500000000, 0.0008846700000000, -0.0001781600000000 ] - [ 0.0006796400000000, -0.0001396600000000, 0.0005578400000000 ] - [ 0.0005245400000000, -0.0002812200000000, 0.0004207400000000 ] - [ 0.0004376300000000, -0.0002176100000000, 0.0002268200000000 ] - [ -0.0000757400000000, 0.0002243900000000, 0.0012953800000000 ] - [ 0.0002028600000000, 0.0003777800000000, -0.0005679400000000 ] - [ 0.0005008500000000, 0.0001487200000000, 0.0019899700000000 ] - [ 0.0003206300000000, -0.0003466100000000, -0.0011985200000000 ] - [ -0.0002195600000000, 0.0008259400000000, -0.0002949900000000 ] - [ -0.0001853300000000, 0.0008156100000000, -0.0004875600000000 ] - [ -0.0002169100000000, -0.0007391400000000, -0.0006560500000000 ] - [ -0.0000974200000000, 0.0007727300000000, -0.0005923200000000 ] - [ -0.0008358000000000, -0.0005367600000000, 0.0003325400000000 ] - [ -0.0004649000000000, -0.0002843300000000, 0.0002352000000000 ] - [ 0.0009679200000000, -0.0010228900000000, 0.0001889300000000 ] - [ 0.0001214700000000, -0.0002801300000000, -0.0005252300000000 ] - [ -0.0000482700000000, -0.0002361700000000, 0.0005305900000000 ] - [ -0.0001175700000000, -0.0003891500000000, -0.0001243000000000 ] - [ -0.0016260400000000, -0.0009482000000000, -0.0003283900000000 ] - [ -0.0006008600000000, -0.0004533000000000, -0.0006114500000000 ] - [ 0.0004310400000000, 0.0004499000000000, -0.0001017500000000 ] - [ 0.0005528500000000, 0.0005288200000000, -0.0005723700000000 ] - [ -0.0072646700000000, 0.0031738100000000, 0.0059993100000000 ] - [ -0.0003891500000000, 0.0000896000000000, -0.0009329000000000 ] - [ 0.0009481500000000, 0.0023800000000000, 0.0051931000000000 ] - [ -0.0004840800000000, 0.0000800600000000, -0.0012231700000000 ] - [ 0.0001722000000000, 0.0003320100000000, 0.0007606000000000 ] - [ 0.0004371300000000, -0.0000007800000000, -0.0005173600000000 ] - [ 0.0006281500000000, -0.0000510200000000, -0.0006881000000000 ] - [ -0.0001690700000000, 0.0002071400000000, -0.0005746700000000 ] - [ -0.0003047000000000, 0.0000070800000000, -0.0007605500000000 ] - [ 0.0007704300000000, -0.0003763100000000, -0.0004805200000000 ] - [ -0.0004373400000000, 0.0018333600000000, 0.0004256600000000 ] - [ -0.0001459300000000, 0.0001757500000000, -0.0007322700000000 ] - [ -0.0005033000000000, -0.0002204300000000, -0.0005724900000000 ] - [ 0.0001602500000000, 0.0002807800000000, -0.0006903300000000 ] - [ -0.0003728000000000, -0.0001859400000000, -0.0008032900000000 ] - [ -0.0000533300000000, -0.0002388000000000, -0.0004662700000000 ] - [ -0.0030114500000000, -0.0006701600000000, -0.0004111900000000 ] - [ -0.0001192100000000, -0.0002638400000000, -0.0010575700000000 ] - [ 0.0834205000000000, 0.0955100000000000, 0.1568985100000000 ] - [ -0.0011528800000000, 0.0006311400000000, -0.0023921500000000 ] - [ -0.0014160800000000, -0.0025734400000000, 0.0006441500000000 ] - [ 0.0000984600000000, 0.0001548300000000, -0.0010681100000000 ] - [ 0.0005254900000000, -0.0020337600000000, 0.0006145300000000 ] - [ 0.0002365000000000, 0.0000470800000000, -0.0010691500000000 ] - [ 0.0000366400000000, 0.0011404700000000, 0.0001877300000000 ] - [ 0.0003993600000000, -0.0002420600000000, -0.0008388500000000 ] - [ 0.0017826200000000, -0.0004125300000000, -0.0034692600000000 ] - [ 0.0001403100000000, 0.0021057300000000, -0.0013854900000000 ] - [ -0.1387164900000000, -0.1303200000000000, -0.1936263700000000 ] - [ 0.0000252100000000, 0.0004017200000000, 0.0012070500000000 ] - [ -0.0011403300000000, -0.0009492800000000, -0.0007465700000000 ] - [ 0.0005801400000000, 0.0001482200000000, 0.0021423400000000 ] - [ -0.0000218100000000, 0.0012314600000000, -0.0009037100000000 ] - [ -0.0000635000000000, 0.0000558300000000, 0.0009869600000000 ] - [ -0.0042944700000000, 0.0018206100000000, 0.0017024900000000 ] - [ 0.0003259400000000, -0.0006997300000000, 0.0012420000000000 ] - [ -0.0010458400000000, -0.0033558500000000, -0.0006371100000000 ] - [ -0.0010890100000000, 0.0014715200000000, 0.0020032000000000 ] - [ 0.0034466700000000, 0.0142211600000000, -0.0215910400000000 ] - [ 0.0005279000000000, -0.0005708300000000, 0.0010367800000000 ] - [ -0.0003277200000000, -0.0004659400000000, -0.0001932900000000 ] - [ -0.0002516500000000, -0.0001231200000000, 0.0007238500000000 ] - [ -0.0003957100000000, -0.0008327200000000, -0.0007199100000000 ] - [ -0.0001522500000000, -0.0005894500000000, 0.0010526100000000 ] - [ 0.0006639400000000, 0.0007020800000000, 0.0005736400000000 ] - [ 0.0004049700000000, 0.0008930500000000, 0.0001895700000000 ] - [ 0.0005646800000000, 0.0013874400000000, 0.0001132100000000 ] - [ 0.0003038100000000, 0.0001917500000000, 0.0001636700000000 ] - [ 0.0000423900000000, 0.0001929500000000, -0.0002683400000000 ] - [ -0.0002158700000000, 0.0004734900000000, -0.0002557400000000 ] - [ 0.0018321900000000, -0.0067889600000000, -0.0071131200000000 ] - [ 0.0004333100000000, 0.0002718900000000, 0.0012318700000000 ] - [ 0.0001485300000000, -0.0008545600000000, 0.0001599200000000 ] - [ -0.0009554800000000, 0.0002549000000000, 0.0001158500000000 ] - [ 0.0021220800000000, -0.0002906300000000, -0.0007688600000000 ] - [ -0.0001173700000000, -0.0002235200000000, 0.0004999500000000 ] - [ 0.0025462000000000, 0.0021636700000000, -0.0017243700000000 ] - [ -0.0002359300000000, 0.0003316800000000, 0.0008633300000000 ] - [ -0.0001179700000000, 0.0011865000000000, -0.0002712500000000 ] - [ -0.0001596000000000, -0.0000921800000000, 0.0008932000000000 ] - [ 0.0021131400000000, -0.0001674900000000, 0.0020007300000000 ] - [ -0.0008962200000000, -0.0012102800000000, 0.0013243100000000 ] - [ 0.0064559700000000, -0.0032747000000000, -0.0041348900000000 ] - [ 0.0010028900000000, 0.0000728600000000, 0.0008332200000000 ] - [ -0.0000726900000000, 0.0011319600000000, -0.0012243900000000 ] - [ -0.0001834800000000, -0.0003211200000000, 0.0004859300000000 ] - [ 0.0007779100000000, 0.0023851600000000, 0.0003606900000000 ] - [ 0.0002522100000000, -0.0007305800000000, -0.0003077600000000 ] - [ 0.0000439400000000, 0.0013707600000000, -0.0007735200000000 ] - [ 0.0003035300000000, -0.0000473200000000, 0.0004987200000000 ] - [ 0.0007650400000000, -0.0001960100000000, -0.0004979000000000 ] - [ 0.0006310600000000, 0.0003951100000000, 0.0013798900000000 ] - [ -0.0007216400000000, 0.0011627300000000, 0.0008705600000000 ] - [ -0.0003754400000000, -0.0012289600000000, -0.0003417300000000 ] - [ 0.0532501400000000, 0.0296813000000000, 0.0310382800000000 ] - [ 0.0000600400000000, -0.0006474500000000, 0.0023230300000000 ] - [ 0.0011160800000000, 0.0002589200000000, 0.0002393300000000 ] - [ 0.0000183000000000, 0.0001616200000000, 0.0008313900000000 ] - [ -0.0001051000000000, 0.0006203700000000, -0.0003576300000000 ] - [ -0.0004204600000000, 0.0004368600000000, 0.0007055200000000 ] - [ -0.0001208100000000, 0.0003145900000000, -0.0000016000000000 ] - [ -0.0004917900000000, 0.0006992900000000, 0.0006809600000000 ] - [ 0.0008683800000000, -0.0000909400000000, -0.0001053000000000 ] - [ -0.0002282200000000, -0.0008248400000000, 0.0007576200000000 ] - [ -0.0008181600000000, -0.0000520300000000, 0.0004269600000000 ] - [ -0.0006156400000000, -0.0003176400000000, 0.0002813700000000 ] - [ -0.0006649000000000, -0.0010240300000000, 0.0011358400000000 ] - [ 0.0006980600000000, -0.0015975700000000, 0.0011326100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0018658700000000, -0.0001283000000000, -0.0077266300000000 ] - [ -0.0007318800000000, -0.0006431800000000, 0.0031935300000000 ] - [ -0.0003102600000000, 0.0002849800000000, -0.0000086900000000 ] - [ -0.0000829600000000, 0.0002718200000000, 0.0004578000000000 ] - [ -0.0000698200000000, -0.0004600700000000, 0.0000197100000000 ] - [ 0.0000540800000000, -0.0003877100000000, 0.0004544400000000 ] - [ 0.0009360600000000, -0.0018498400000000, -0.0020993500000000 ] - [ -0.0004469800000000, -0.0003990500000000, 0.0009551300000000 ] - [ -0.0011470200000000, 0.0002625200000000, -0.0004872800000000 ] - [ -0.0001305900000000, 0.0004026600000000, 0.0007112900000000 ] - [ 0.0005970900000000, 0.0005204200000000, -0.0005012800000000 ] - [ 0.0005417300000000, 0.0000724800000000, 0.0007497900000000 ] - [ 0.0016752200000000, 0.0097250000000000, 0.0024397700000000 ] - [ -0.0012107800000000, -0.0008236400000000, 0.0011160900000000 ] - [ -0.0004942900000000, 0.0018437700000000, -0.0029199600000000 ] - [ -0.0001736300000000, -0.0004010000000000, 0.0012087900000000 ] - [ 0.0008944600000000, 0.0007879400000000, 0.0002236600000000 ] - [ 0.0005721300000000, 0.0004706400000000, 0.0002387100000000 ] - [ -0.0007426700000000, 0.0003830500000000, -0.0006221500000000 ] - [ -0.0005290300000000, 0.0004523900000000, -0.0001030200000000 ] - [ 0.0005683600000000, -0.0008620300000000, -0.0007619100000000 ] - [ 0.0002975900000000, -0.0003229900000000, -0.0005143600000000 ] - [ -0.0001188000000000, -0.0010588000000000, 0.0003007100000000 ] - [ 0.0009832300000000, -0.0008469800000000, 0.0008835400000000 ] - [ -0.0035667500000000, 0.0020243400000000, -0.0164183300000000 ] - [ -0.0000580100000000, 0.0002807200000000, 0.0006498100000000 ] - [ 0.0003929700000000, -0.0005097300000000, 0.0008664200000000 ] - [ -0.0013494600000000, 0.0005074400000000, 0.0001305600000000 ] - [ 0.0001474000000000, -0.0000879900000000, 0.0002726000000000 ] - [ 0.0002345400000000, -0.0001509300000000, 0.0004646200000000 ] - [ 0.0001830700000000, 0.0004363200000000, -0.0007200500000000 ] - [ -0.0000936100000000, 0.0002839600000000, 0.0011305200000000 ] - [ 0.0000208500000000, -0.0005711100000000, -0.0014188300000000 ] - [ 0.0001987000000000, -0.0000798100000000, 0.0017621300000000 ] - [ 0.0000562100000000, 0.0008481000000000, -0.0004249100000000 ] - [ 0.0000222200000000, 0.0008583000000000, -0.0002333800000000 ] - [ -0.0001894000000000, 0.0013810900000000, -0.0006021700000000 ] - [ -0.0003066900000000, -0.0001274900000000, -0.0006661100000000 ] - [ 0.0001848800000000, 0.0001428400000000, 0.0003619000000000 ] - [ -0.0001895500000000, -0.0001127600000000, 0.0004569800000000 ] - [ -0.0008083500000000, -0.0006513800000000, -0.0009087000000000 ] - [ 0.0000414600000000, -0.0013920900000000, -0.0001943000000000 ] - [ -0.0000621500000000, -0.0004219500000000, 0.0000334500000000 ] - [ 0.0000086400000000, -0.0002726100000000, 0.0006914500000000 ] - [ 0.0002460600000000, -0.0000350200000000, -0.0003931300000000 ] - [ -0.0007669800000000, -0.0005261800000000, -0.0001096600000000 ] - [ 0.0009369100000000, 0.0005293400000000, -0.0006184000000000 ] - [ 0.0008143100000000, 0.0004504700000000, -0.0001492400000000 ] - [ 0.0064679400000000, -0.0031274600000000, -0.0072133500000000 ] - [ -0.0003782800000000, -0.0001167000000000, -0.0003264100000000 ] - [ -0.0015677800000000, -0.0025986000000000, -0.0045540400000000 ] - [ -0.0001434100000000, -0.0003152500000000, 0.0017809700000000 ] - [ 0.0004512100000000, -0.0000944500000000, -0.0001960200000000 ] - [ 0.0001896800000000, 0.0002384700000000, 0.0010826500000000 ] - [ 0.0001387700000000, 0.0000790900000000, -0.0005698200000000 ] - [ 0.0009355800000000, -0.0001793700000000, -0.0006832300000000 ] - [ 0.0018256700000000, -0.0006959200000000, 0.0000490400000000 ] - [ 0.0007608700000000, -0.0003201800000000, -0.0002403600000000 ] - [ -0.0000772000000000, -0.0014311400000000, 0.0000973600000000 ] - [ -0.0003729600000000, 0.0002488800000000, 0.0012944500000000 ] - [ 0.0008568400000000, 0.0008933100000000, -0.0006847400000000 ] - [ 0.0001989000000000, 0.0003961200000000, -0.0005671600000000 ] - [ 0.0000127500000000, -0.0004897200000000, -0.0004540100000000 ] - [ -0.0003045200000000, -0.0004364000000000, -0.0007910200000000 ] - [ 0.0030483800000000, 0.0012634000000000, -0.0005939300000000 ] - [ 0.0001559000000000, 0.0008526900000000, 0.0000434600000000 ] - [ -0.0868164800000000, -0.1007444500000000, -0.1593456600000000 ] - [ 0.0016436400000000, -0.0009440100000000, 0.0013724900000000 ] - [ 0.0013799200000000, 0.0019640700000000, -0.0016425000000000 ] - [ -0.0001197000000000, -0.0007299500000000, 0.0000484000000000 ] - [ -0.0010489300000000, 0.0017429500000000, -0.0016076800000000 ] - [ -0.0007538700000000, -0.0003173900000000, 0.0000553300000000 ] - [ 0.0004804800000000, -0.0008564100000000, -0.0011879300000000 ] - [ 0.0001169900000000, 0.0005108800000000, -0.0001761900000000 ] - [ -0.0022787600000000, 0.0007233100000000, 0.0024519700000000 ] - [ -0.0006448100000000, -0.0017960100000000, 0.0003790000000000 ] - [ 0.1435650200000000, 0.1356145300000000, 0.1944181400000000 ] - [ -0.0003939900000000, 0.0001337900000000, -0.0009682700000000 ] - [ -0.0001763100000000, 0.0005454800000000, 0.0010695600000000 ] - [ -0.0018912500000000, -0.0005527100000000, -0.0018181200000000 ] - [ -0.0001511700000000, -0.0007352200000000, 0.0016557200000000 ] - [ -0.0001071500000000, 0.0004273900000000, -0.0002119300000000 ] - [ 0.0047849600000000, -0.0019014300000000, -0.0009432800000000 ] - [ 0.0001899500000000, 0.0006020500000000, -0.0004765400000000 ] - [ 0.0013386200000000, 0.0046474900000000, 0.0009560600000000 ] - [ 0.0013916700000000, -0.0001279700000000, -0.0016633900000000 ] - [ -0.0028203900000000, -0.0133460600000000, 0.0213709100000000 ] - [ -0.0000286300000000, 0.0010922000000000, -0.0015130100000000 ] - [ -0.0000047800000000, 0.0000714800000000, 0.0009500400000000 ] - [ -0.0000782600000000, -0.0002657500000000, 0.0000449200000000 ] - [ 0.0000996900000000, -0.0005091700000000, 0.0010408200000000 ] - [ -0.0001485200000000, -0.0007526700000000, -0.0007256300000000 ] - [ -0.0001784700000000, 0.0011434200000000, 0.0000967400000000 ] - [ 0.0000786000000000, 0.0009525500000000, 0.0004808800000000 ] - [ -0.0002813500000000, -0.0007873900000000, 0.0001176900000000 ] - [ -0.0000236400000000, 0.0003994400000000, 0.0000729400000000 ] - [ -0.0002485500000000, 0.0004970300000000, -0.0002191800000000 ] - [ 0.0000100000000000, 0.0002209100000000, -0.0002244200000000 ] - [ -0.0004584100000000, 0.0069523900000000, 0.0075505100000000 ] - [ 0.0008769100000000, 0.0001307400000000, -0.0009022000000000 ] - [ -0.0007862800000000, 0.0007952600000000, 0.0000693900000000 ] - [ 0.0003088300000000, -0.0003050900000000, 0.0001200300000000 ] - [ -0.0024106000000000, -0.0003016500000000, 0.0010003900000000 ] - [ -0.0001703500000000, -0.0003672200000000, -0.0002631200000000 ] - [ -0.0032476000000000, -0.0020085100000000, 0.0012421100000000 ] - [ -0.0004656200000000, -0.0001640800000000, -0.0013459700000000 ] - [ 0.0004578200000000, -0.0007737900000000, 0.0010362200000000 ] - [ 0.0004906700000000, 0.0004808900000000, -0.0001256600000000 ] - [ -0.0007455200000000, -0.0011693000000000, -0.0013190300000000 ] - [ 0.0022620700000000, -0.0001277900000000, -0.0006676800000000 ] - [ -0.0046368800000000, 0.0037413000000000, 0.0047582000000000 ] - [ 0.0008330100000000, 0.0004098500000000, -0.0001690000000000 ] - [ 0.0002847900000000, -0.0018202800000000, 0.0007358700000000 ] - [ 0.0003888700000000, -0.0003749600000000, -0.0009678600000000 ] - [ -0.0000790800000000, -0.0025348100000000, -0.0008451200000000 ] - [ 0.0004381300000000, 0.0005570200000000, -0.0001520700000000 ] - [ 0.0006016300000000, -0.0013090600000000, 0.0009958000000000 ] - [ 0.0003422200000000, 0.0000972000000000, -0.0002643200000000 ] - [ 0.0002411600000000, -0.0007360700000000, 0.0008158700000000 ] - [ 0.0003729700000000, -0.0013242300000000, -0.0010513300000000 ] - [ 0.0002249400000000, -0.0016813000000000, -0.0013535500000000 ] - [ -0.0001204300000000, 0.0007054000000000, -0.0001404200000000 ] - [ -0.0549077600000000, -0.0300587100000000, -0.0306317900000000 ] - [ -0.0005728400000000, 0.0007420700000000, -0.0015439500000000 ] - [ -0.0009444300000000, -0.0007550400000000, 0.0005238700000000 ] - [ 0.0001503500000000, -0.0006518100000000, -0.0000617700000000 ] - [ -0.0008979400000000, 0.0003019000000000, 0.0006784700000000 ] - [ -0.0005848400000000, 0.0004944000000000, -0.0003803500000000 ] - [ -0.0012350800000000, 0.0010280800000000, 0.0006699200000000 ] - [ -0.0008627800000000, 0.0006448000000000, -0.0000108900000000 ] - [ -0.0013427000000000, -0.0017482900000000, 0.0007707300000000 ] - [ -0.0002558700000000, -0.0010208400000000, -0.0000865000000000 ] - [ -0.0010149700000000, -0.0004316200000000, 0.0002357200000000 ] - [ -0.0012186300000000, -0.0001655000000000, 0.0003815100000000 ] - [ 0.0010341300000000, 0.0004917700000000, -0.0009008900000000 ] - [ -0.0003271300000000, 0.0010697900000000, -0.0009044100000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011651700000000, -0.0020687500000000, 0.0003004400000000 ] - [ 0.0004557200000000, 0.0001498600000000, 0.0000209200000000 ] - [ -0.0002791800000000, -0.0026980600000000, 0.0005460600000000 ] - [ -0.0004854800000000, 0.0000746200000000, 0.0000065500000000 ] - [ -0.0004345300000000, 0.0003888600000000, 0.0003812400000000 ] - [ -0.0000207100000000, -0.0003857700000000, 0.0000310500000000 ] - [ 0.0005462300000000, -0.0001565900000000, -0.0002220300000000 ] - [ 0.0005403900000000, -0.0005025300000000, 0.0008989800000000 ] - [ -0.0006111600000000, 0.0006948600000000, 0.0003585500000000 ] - [ -0.0007915900000000, 0.0006606300000000, 0.0000947500000000 ] - [ 0.0006915500000000, -0.0003778600000000, 0.0002195300000000 ] - [ 0.0008401400000000, -0.0002764000000000, 0.0002754700000000 ] - [ 0.0019695400000000, 0.0001349300000000, -0.0003742500000000 ] - [ 0.0156118900000000, -0.0034525800000000, 0.0037084400000000 ] - [ 0.0003624000000000, -0.0000409700000000, -0.0007008600000000 ] - [ 0.0001387800000000, -0.0002381300000000, -0.0002906100000000 ] - [ 0.0016020100000000, 0.0009121600000000, -0.0000687500000000 ] - [ 0.0005447700000000, 0.0003167100000000, 0.0002523900000000 ] - [ -0.0008704200000000, 0.0004549900000000, -0.0004414900000000 ] - [ -0.0009316000000000, 0.0005349300000000, -0.0001552200000000 ] - [ -0.0006433500000000, -0.0001339800000000, -0.0017638600000000 ] - [ 0.0002483600000000, -0.0003555200000000, -0.0004372800000000 ] - [ 0.0363125200000000, -0.0585749600000000, -0.0030972400000000 ] - [ 0.0001246800000000, -0.0004225200000000, 0.0002761600000000 ] - [ 0.0001569600000000, -0.0002389300000000, 0.0004930600000000 ] - [ 0.0001542200000000, -0.0005391200000000, 0.0004879600000000 ] - [ -0.0039809400000000, 0.0009987100000000, -0.0011809500000000 ] - [ -0.0007307400000000, 0.0003038800000000, 0.0002919200000000 ] - [ 0.0000850700000000, 0.0000154500000000, 0.0003429000000000 ] - [ -0.0004169700000000, 0.0001827400000000, 0.0005325900000000 ] - [ -0.0000330300000000, 0.0008238700000000, 0.0014526000000000 ] - [ 0.0002562600000000, 0.0002500900000000, -0.0006245100000000 ] - [ 0.0187652700000000, -0.0105350800000000, -0.0124310400000000 ] - [ 0.0003542600000000, -0.0002268300000000, 0.0001688800000000 ] - [ -0.0006945800000000, 0.0013793900000000, -0.0005198600000000 ] - [ -0.0001642000000000, 0.0009679900000000, -0.0004059300000000 ] - [ -0.0002225700000000, 0.0002435500000000, -0.0005610900000000 ] - [ -0.0002087100000000, 0.0002669700000000, -0.0006391700000000 ] - [ -0.0013559100000000, -0.0011803800000000, 0.0000503600000000 ] - [ -0.0004756800000000, -0.0003707600000000, 0.0004255800000000 ] - [ -0.0000497700000000, -0.0008104300000000, -0.0003543000000000 ] - [ -0.0002955300000000, -0.0007635800000000, -0.0002003500000000 ] - [ -0.0001305100000000, -0.0003532000000000, -0.0000941200000000 ] - [ -0.0001590500000000, -0.0004159700000000, 0.0004258800000000 ] - [ -0.0008855400000000, -0.0004365300000000, -0.0003243200000000 ] - [ -0.0007704300000000, -0.0005097300000000, -0.0004042800000000 ] - [ 0.0005036200000000, 0.0005084300000000, -0.0006238700000000 ] - [ 0.0002433000000000, 0.0007441900000000, 0.0000293300000000 ] - [ -0.0009507000000000, 0.0000726100000000, -0.0005527500000000 ] - [ -0.0010977000000000, 0.0002088100000000, -0.0007308000000000 ] - [ -0.0017255800000000, 0.0002891600000000, 0.0028873500000000 ] - [ -0.0003729300000000, 0.0000077500000000, -0.0006881300000000 ] - [ 0.0003322200000000, 0.0000990100000000, 0.0001066900000000 ] - [ 0.0003004300000000, 0.0004886200000000, 0.0010754600000000 ] - [ -0.0009315100000000, 0.0008016300000000, -0.0004530000000000 ] - [ 0.0004398600000000, 0.0000740900000000, -0.0007122600000000 ] - [ 0.0002623800000000, -0.0003189200000000, -0.0004913700000000 ] - [ 0.0006415400000000, -0.0003364800000000, -0.0004028400000000 ] - [ -0.0002558100000000, 0.0001741600000000, 0.0002271300000000 ] - [ -0.0002272800000000, 0.0000721800000000, 0.0005655000000000 ] - [ 0.0001958200000000, 0.0006028600000000, -0.0006303000000000 ] - [ 0.0003761700000000, 0.0007039200000000, -0.0006378600000000 ] - [ -0.0013836800000000, -0.0015623700000000, -0.0008392600000000 ] - [ -0.0004518700000000, -0.0004537700000000, -0.0006749700000000 ] - [ 0.0037249500000000, -0.0008559000000000, -0.0043040000000000 ] - [ 0.0012998500000000, 0.0023658400000000, 0.0014948300000000 ] - [ 0.0006701200000000, -0.0018474200000000, 0.0007250700000000 ] - [ -0.0019993900000000, -0.0005146000000000, -0.0024647800000000 ] - [ 0.0006080000000000, -0.0012044600000000, 0.0006111300000000 ] - [ -0.0000073500000000, -0.0004467000000000, -0.0004626500000000 ] - [ -0.0008295100000000, 0.0005061300000000, -0.0006289900000000 ] - [ -0.0016064200000000, 0.0018999900000000, -0.0014629900000000 ] - [ -0.0012622700000000, 0.0015679400000000, -0.0001158600000000 ] - [ -0.0002338800000000, 0.0002297200000000, -0.0007218900000000 ] - [ 0.0072948000000000, 0.0036380500000000, -0.0083607100000000 ] - [ 0.0001193600000000, 0.0003013700000000, -0.0008060600000000 ] - [ 0.0001222800000000, 0.0008276900000000, -0.0003687900000000 ] - [ 0.0014466900000000, 0.0017146600000000, 0.0013544500000000 ] - [ -0.0702180900000000, 0.0913269900000000, 0.0063580300000000 ] - [ -0.0009548700000000, -0.0001825400000000, 0.0003642000000000 ] - [ -0.0003642200000000, 0.0013128300000000, -0.0000395500000000 ] - [ -0.0001501100000000, 0.0003986000000000, 0.0003647600000000 ] - [ -0.0029399900000000, 0.0017636900000000, 0.0023224900000000 ] - [ -0.0000960000000000, 0.0000563500000000, 0.0005777700000000 ] - [ 0.0084743100000000, -0.0014042100000000, 0.0010041400000000 ] - [ 0.0002229900000000, 0.0004618900000000, 0.0009166200000000 ] - [ 0.0004072500000000, 0.0010847000000000, -0.0021487100000000 ] - [ 0.0014017500000000, 0.0008615900000000, 0.0014345100000000 ] - [ 0.0004472300000000, -0.0007544800000000, 0.0004586700000000 ] - [ 0.0001535600000000, -0.0001970500000000, 0.0005893200000000 ] - [ -0.0000305600000000, -0.0008126100000000, 0.0003714900000000 ] - [ 0.0002068400000000, -0.0011178600000000, -0.0004593800000000 ] - [ 0.0031502500000000, 0.0013870900000000, 0.0000313500000000 ] - [ 0.0005696500000000, 0.0009453800000000, 0.0005733200000000 ] - [ -0.0008683700000000, 0.0001011900000000, -0.0001485300000000 ] - [ 0.0000186800000000, 0.0003303800000000, 0.0001874100000000 ] - [ 0.0012619600000000, 0.0000157200000000, -0.0003494300000000 ] - [ 0.0002639800000000, 0.0002902000000000, 0.0000315000000000 ] - [ 0.0004549000000000, 0.0007035600000000, 0.0002312400000000 ] - [ 0.0004549600000000, 0.0008893700000000, -0.0000302100000000 ] - [ 0.0026690900000000, -0.0007060600000000, 0.0001747500000000 ] - [ 0.0000504300000000, -0.0000690600000000, 0.0001814600000000 ] - [ -0.0006430200000000, 0.0007731200000000, 0.0041583200000000 ] - [ -0.0005798700000000, -0.0004665500000000, 0.0000460200000000 ] - [ -0.0068726800000000, 0.0005227800000000, 0.0033885800000000 ] - [ -0.0026036200000000, -0.0000594100000000, 0.0002618800000000 ] - [ 0.0002637500000000, 0.0000269600000000, 0.0004113800000000 ] - [ 0.0011011200000000, -0.0012844600000000, 0.0009097000000000 ] - [ 0.0012564900000000, -0.0005236200000000, 0.0001849400000000 ] - [ 0.0008424300000000, -0.0006293700000000, 0.0003662300000000 ] - [ 0.0017225600000000, 0.0002024500000000, 0.0003184700000000 ] - [ 0.0016398900000000, 0.0000924200000000, 0.0002951100000000 ] - [ 0.0002086500000000, -0.0006791500000000, -0.0009597000000000 ] - [ 0.0000811100000000, -0.0031066800000000, 0.0019301700000000 ] - [ 0.0001788100000000, 0.0003061600000000, -0.0006694900000000 ] - [ 0.0003305700000000, 0.0000417500000000, -0.0002169000000000 ] - [ 0.0005879100000000, -0.0004734400000000, 0.0002183000000000 ] - [ 0.0012004100000000, -0.0014602100000000, 0.0007981700000000 ] - [ -0.0001472100000000, -0.0035669800000000, -0.0004788900000000 ] - [ 0.0002489800000000, -0.0004440900000000, 0.0008711100000000 ] - [ -0.0015061100000000, -0.0037518900000000, 0.0014248300000000 ] - [ -0.0002926900000000, -0.0002683600000000, -0.0000595300000000 ] - [ -0.0011081000000000, 0.0004155600000000, -0.0000958700000000 ] - [ 0.0016475600000000, 0.0011262300000000, 0.0043862700000000 ] - [ -0.0010058100000000, 0.0007850500000000, 0.0015828300000000 ] - [ -0.0020142100000000, 0.0009056900000000, -0.0032493100000000 ] - [ 0.0002280500000000, 0.0011234100000000, 0.0004996800000000 ] - [ -0.0003374100000000, 0.0006309300000000, 0.0000108300000000 ] - [ 0.0002251400000000, 0.0000318700000000, 0.0015630500000000 ] - [ -0.0005976900000000, 0.0004645800000000, -0.0000469600000000 ] - [ -0.0000771200000000, -0.0011706000000000, 0.0003161500000000 ] - [ -0.0002640900000000, -0.0011838500000000, 0.0002886100000000 ] - [ 0.0000090500000000, -0.0011781600000000, 0.0001107800000000 ] - [ -0.0008815300000000, -0.0004201900000000, 0.0004414600000000 ] - [ -0.0055628200000000, -0.0170913700000000, -0.0010354200000000 ] - [ -0.0000633200000000, -0.0004245400000000, 0.0003384100000000 ]- atom: 79 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019680000000000, 0.0027377400000000, 0.0001334900000000 ] - [ 0.0003500300000000, 0.0005359200000000, 0.0004106400000000 ] - [ -0.0009012400000000, 0.0029366100000000, -0.0001122500000000 ] - [ -0.0005061400000000, 0.0002712300000000, 0.0004192100000000 ] - [ 0.0006196300000000, -0.0014517900000000, 0.0000649100000000 ] - [ 0.0002119200000000, -0.0006874300000000, 0.0004131600000000 ] - [ -0.0013533300000000, -0.0005268200000000, 0.0006543700000000 ] - [ -0.0013410100000000, -0.0001959800000000, -0.0004570200000000 ] - [ 0.0004177900000000, 0.0003808200000000, 0.0000895400000000 ] - [ 0.0005970700000000, 0.0004149400000000, 0.0003478600000000 ] - [ 0.0003007100000000, 0.0000289800000000, 0.0002138500000000 ] - [ 0.0001524100000000, -0.0000670700000000, 0.0001550400000000 ] - [ -0.0019273400000000, -0.0001454200000000, -0.0002793700000000 ] - [ -0.0154129900000000, 0.0031320200000000, -0.0039250500000000 ] - [ -0.0003524000000000, 0.0000639600000000, 0.0000566700000000 ] - [ -0.0001364300000000, 0.0002436100000000, -0.0003448900000000 ] - [ -0.0009377900000000, -0.0005091300000000, 0.0007586900000000 ] - [ 0.0001116100000000, 0.0000812100000000, 0.0004390900000000 ] - [ -0.0006607400000000, 0.0002413800000000, -0.0002788900000000 ] - [ -0.0006002700000000, 0.0001606000000000, -0.0005633500000000 ] - [ 0.0010553700000000, -0.0005098700000000, 0.0005227300000000 ] - [ 0.0001588000000000, -0.0002971300000000, -0.0008221200000000 ] - [ -0.0347230900000000, 0.0573966900000000, 0.0041700000000000 ] - [ -0.0001064700000000, -0.0003436700000000, 0.0004145900000000 ] - [ -0.0001721400000000, 0.0010013900000000, 0.0001999400000000 ] - [ -0.0001701700000000, 0.0012994900000000, 0.0002057600000000 ] - [ 0.0032866700000000, -0.0006276600000000, 0.0018566600000000 ] - [ 0.0000572200000000, 0.0000644900000000, 0.0003997600000000 ] - [ 0.0005846500000000, -0.0003823300000000, 0.0003485500000000 ] - [ 0.0010808600000000, -0.0005471800000000, 0.0001615800000000 ] - [ 0.0001398600000000, -0.0001562400000000, -0.0008732500000000 ] - [ -0.0001458100000000, 0.0004118400000000, 0.0011831700000000 ] - [ -0.0184747400000000, 0.0098299500000000, 0.0159027700000000 ] - [ 0.0001648300000000, -0.0002016700000000, 0.0003854600000000 ] - [ 0.0005332000000000, 0.0002872400000000, -0.0002012300000000 ] - [ 0.0000012000000000, 0.0007062400000000, -0.0003152100000000 ] - [ -0.0001839300000000, 0.0004041400000000, -0.0006957700000000 ] - [ -0.0001971600000000, 0.0003811800000000, -0.0006182500000000 ] - [ 0.0006988000000000, 0.0007804700000000, 0.0006416100000000 ] - [ -0.0001775700000000, -0.0000249800000000, 0.0002666000000000 ] - [ 0.0002127100000000, -0.0008638000000000, -0.0003657800000000 ] - [ 0.0004583400000000, -0.0009125000000000, -0.0005205300000000 ] - [ 0.0000205700000000, -0.0003086600000000, 0.0006588200000000 ] - [ 0.0000503800000000, -0.0002439800000000, 0.0001402300000000 ] - [ -0.0004828600000000, -0.0005431400000000, -0.0003966000000000 ] - [ -0.0005974300000000, -0.0004698200000000, -0.0003170900000000 ] - [ 0.0008635400000000, 0.0004712400000000, -0.0000963600000000 ] - [ 0.0011252400000000, 0.0002304100000000, -0.0007518400000000 ] - [ 0.0001849500000000, -0.0001025700000000, -0.0007041700000000 ] - [ 0.0003291700000000, -0.0002368100000000, -0.0005274700000000 ] - [ 0.0010890200000000, -0.0005237200000000, -0.0022966400000000 ] - [ -0.0002541800000000, -0.0002447700000000, 0.0012467700000000 ] - [ 0.0002946900000000, 0.0001385500000000, 0.0004578100000000 ] - [ 0.0003264600000000, -0.0002436200000000, -0.0004934400000000 ] - [ 0.0016549800000000, -0.0007664100000000, -0.0008055900000000 ] - [ 0.0003253600000000, -0.0000455600000000, -0.0005454000000000 ] - [ 0.0012698400000000, -0.0003790600000000, -0.0002270400000000 ] - [ 0.0008894700000000, -0.0003605200000000, -0.0003183400000000 ] - [ -0.0002637400000000, 0.0002515700000000, 0.0003369000000000 ] - [ -0.0002907500000000, 0.0003535800000000, 0.0000024100000000 ] - [ 0.0001629500000000, 0.0000744900000000, -0.0006271900000000 ] - [ -0.0000155700000000, -0.0000246300000000, -0.0006192300000000 ] - [ 0.0010245700000000, 0.0008897800000000, -0.0004148000000000 ] - [ 0.0000915800000000, -0.0002238900000000, -0.0005823900000000 ] - [ -0.0038249500000000, 0.0013793600000000, 0.0033117700000000 ] - [ -0.0012438700000000, -0.0017539000000000, -0.0025018700000000 ] - [ -0.0001603800000000, 0.0015163000000000, -0.0017191200000000 ] - [ 0.0024942400000000, 0.0001781800000000, 0.0014554100000000 ] - [ -0.0006318700000000, 0.0006174800000000, -0.0016202100000000 ] - [ -0.0000276500000000, -0.0001403300000000, -0.0005531900000000 ] - [ 0.0003096300000000, -0.0007748600000000, -0.0003829000000000 ] - [ 0.0010774300000000, -0.0021533000000000, 0.0004426400000000 ] - [ 0.0017735000000000, -0.0012748300000000, -0.0008815000000000 ] - [ 0.0007491100000000, 0.0000426600000000, -0.0002910500000000 ] - [ -0.0076780200000000, -0.0032378800000000, 0.0072384500000000 ] - [ -0.0006177100000000, 0.0000187200000000, -0.0002037300000000 ] - [ -0.0004962800000000, -0.0002922200000000, 0.0005954700000000 ] - [ -0.0018109500000000, -0.0011707900000000, -0.0011170200000000 ] - [ 0.0672991400000000, -0.0903536700000000, -0.0099365600000000 ] - [ -0.0003571600000000, -0.0002194500000000, -0.0000262500000000 ] - [ 0.0001919400000000, -0.0008248800000000, 0.0008074500000000 ] - [ -0.0000198200000000, 0.0000887200000000, 0.0004082500000000 ] - [ 0.0034147200000000, -0.0018648300000000, -0.0015230700000000 ] - [ 0.0006061700000000, -0.0001543100000000, 0.0001893200000000 ] - [ -0.0080462600000000, 0.0027158100000000, -0.0006632200000000 ] - [ 0.0000755300000000, 0.0008799300000000, -0.0005837500000000 ] - [ 0.0000855200000000, -0.0005492500000000, 0.0016460300000000 ] - [ -0.0008956100000000, -0.0003163600000000, -0.0019058200000000 ] - [ -0.0007754600000000, 0.0003528200000000, 0.0003022600000000 ] - [ -0.0004807400000000, -0.0001933700000000, 0.0001798100000000 ] - [ -0.0002670800000000, -0.0005337800000000, -0.0000422700000000 ] - [ -0.0005039500000000, -0.0002335500000000, 0.0007718500000000 ] - [ -0.0026839100000000, 0.0004614300000000, 0.0006401900000000 ] - [ -0.0000822500000000, 0.0009021700000000, 0.0000971400000000 ] - [ 0.0011431900000000, 0.0004870700000000, 0.0003793400000000 ] - [ 0.0002657900000000, 0.0002615800000000, 0.0000479200000000 ] - [ -0.0014657600000000, 0.0006666000000000, -0.0001381900000000 ] - [ -0.0004695800000000, 0.0004029400000000, -0.0005147100000000 ] - [ 0.0008541000000000, -0.0002994500000000, 0.0000962700000000 ] - [ 0.0008541600000000, -0.0004843000000000, 0.0003541100000000 ] - [ -0.0032928100000000, 0.0006376800000000, 0.0000542500000000 ] - [ -0.0006915100000000, 0.0000163600000000, 0.0000497000000000 ] - [ 0.0003932600000000, -0.0013757200000000, -0.0039648200000000 ] - [ 0.0002896400000000, -0.0001276200000000, 0.0001909400000000 ] - [ 0.0062472300000000, -0.0002964600000000, -0.0036779100000000 ] - [ 0.0018880400000000, 0.0002174900000000, -0.0007271600000000 ] - [ 0.0000650100000000, 0.0003632100000000, 0.0003558700000000 ] - [ -0.0007651100000000, 0.0016615400000000, -0.0001380300000000 ] - [ 0.0001005600000000, -0.0008175300000000, 0.0004835100000000 ] - [ 0.0005135100000000, -0.0007150600000000, 0.0003036500000000 ] - [ 0.0001135800000000, 0.0002834700000000, 0.0003406300000000 ] - [ 0.0001984600000000, 0.0003921700000000, 0.0003676200000000 ] - [ -0.0000023500000000, -0.0000159800000000, 0.0004650700000000 ] - [ 0.0001313400000000, 0.0023921800000000, -0.0024024300000000 ] - [ 0.0005130100000000, -0.0004752700000000, 0.0001805500000000 ] - [ 0.0003681600000000, -0.0002094700000000, -0.0002677200000000 ] - [ 0.0000578600000000, 0.0005240000000000, 0.0000126000000000 ] - [ -0.0005477800000000, 0.0014987900000000, -0.0005616800000000 ] - [ 0.0011525700000000, 0.0026008200000000, 0.0007998800000000 ] - [ 0.0007559100000000, -0.0004848700000000, -0.0005380400000000 ] - [ 0.0009831400000000, 0.0031590200000000, -0.0018937800000000 ] - [ -0.0002040400000000, -0.0002626100000000, -0.0004255700000000 ] - [ 0.0005845200000000, -0.0003152500000000, 0.0008584900000000 ] - [ -0.0021510900000000, -0.0010073800000000, -0.0035944500000000 ] - [ 0.0011990100000000, -0.0012321100000000, -0.0007976000000000 ] - [ 0.0021855600000000, -0.0013966000000000, 0.0039986500000000 ] - [ -0.0012312400000000, -0.0001934900000000, -0.0001729500000000 ] - [ -0.0006698700000000, 0.0002963000000000, 0.0003153500000000 ] - [ -0.0015832500000000, 0.0013164100000000, -0.0009051200000000 ] - [ -0.0007561000000000, 0.0008838600000000, 0.0007155300000000 ] - [ -0.0004072000000000, -0.0006768400000000, 0.0003526100000000 ] - [ -0.0002208600000000, -0.0006650900000000, 0.0003797700000000 ] - [ -0.0018187100000000, 0.0006864500000000, 0.0005516200000000 ] - [ -0.0009533100000000, -0.0000644900000000, 0.0002204100000000 ] - [ 0.0059859500000000, 0.0163299600000000, 0.0012543300000000 ] - [ 0.0004347500000000, -0.0001082600000000, -0.0001051600000000 ]- atom: 79 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ -0.0007451600000000, 0.0017291500000000, -0.0001098400000000 ] - [ 0.0003258600000000, 0.0005796800000000, 0.0003513000000000 ] - [ -0.0023381100000000, 0.0029521500000000, 0.0003318300000000 ] - [ -0.0007311100000000, 0.0001950200000000, 0.0003347300000000 ] - [ 0.0018776200000000, -0.0025259000000000, 0.0002719300000000 ] - [ 0.0003795600000000, -0.0008234500000000, 0.0003441200000000 ] - [ -0.0006586900000000, 0.0000482500000000, 0.0023234100000000 ] - [ -0.0014025500000000, 0.0005344000000000, -0.0024715800000000 ] - [ 0.0003243700000000, 0.0003914400000000, 0.0002214900000000 ] - [ 0.0005058000000000, 0.0004024000000000, 0.0002761600000000 ] - [ 0.0001365600000000, -0.0006407700000000, -0.0000131000000000 ] - [ 0.0001096800000000, -0.0007920200000000, 0.0004346900000000 ] - [ 0.0001327600000000, 0.0002878100000000, -0.0011348000000000 ] - [ -0.0122915600000000, 0.0135091600000000, -0.0040371600000000 ] - [ -0.0031914000000000, -0.0039729600000000, 0.0019047500000000 ] - [ -0.0009493600000000, -0.0006285700000000, -0.0010011200000000 ] - [ -0.0021935700000000, -0.0022312500000000, 0.0012249100000000 ] - [ 0.0000264500000000, -0.0001315100000000, 0.0004235600000000 ] - [ -0.0006456300000000, 0.0002334400000000, -0.0002839000000000 ] - [ -0.0005153000000000, 0.0002441000000000, -0.0008373700000000 ] - [ 0.0006541300000000, 0.0010074200000000, 0.0002181500000000 ] - [ 0.0000539300000000, 0.0006697100000000, -0.0006813800000000 ] - [ -0.0707291600000000, 0.2504967100000000, 0.0244924500000000 ] - [ -0.0001581100000000, 0.0002353800000000, 0.0004379200000000 ] - [ -0.0004111400000000, 0.0008940200000000, 0.0003898500000000 ] - [ -0.0002486000000000, 0.0010874200000000, 0.0001516200000000 ] - [ 0.0024605100000000, -0.0008226300000000, 0.0013871700000000 ] - [ 0.0000651200000000, 0.0000820900000000, 0.0004250500000000 ] - [ 0.0013095000000000, -0.0006687500000000, 0.0003576500000000 ] - [ 0.0019896000000000, -0.0009429100000000, -0.0001447500000000 ] - [ 0.0011629700000000, -0.0012272800000000, -0.0026948400000000 ] - [ -0.0000698000000000, 0.0003726100000000, 0.0012070600000000 ] - [ -0.0186624400000000, 0.0421821100000000, 0.0315035300000000 ] - [ 0.0002504500000000, -0.0000826700000000, 0.0007872900000000 ] - [ 0.0009209700000000, 0.0006127500000000, 0.0001591200000000 ] - [ -0.0000175800000000, 0.0006556900000000, -0.0003016800000000 ] - [ -0.0000737600000000, -0.0001098700000000, -0.0006639100000000 ] - [ -0.0002046600000000, 0.0002439600000000, -0.0006069300000000 ] - [ -0.0005822100000000, -0.0003503600000000, 0.0002177600000000 ] - [ -0.0009333800000000, -0.0005636800000000, 0.0001862700000000 ] - [ 0.0001454400000000, -0.0008340100000000, -0.0003335500000000 ] - [ 0.0003969700000000, -0.0007738800000000, -0.0005155200000000 ] - [ -0.0000348800000000, -0.0003099300000000, 0.0005509400000000 ] - [ -0.0002380400000000, -0.0004299300000000, -0.0000509300000000 ] - [ -0.0004326900000000, -0.0006011300000000, -0.0003134800000000 ] - [ -0.0006292000000000, -0.0004671400000000, -0.0003367300000000 ] - [ 0.0007925400000000, 0.0006425600000000, -0.0001302900000000 ] - [ 0.0012768400000000, 0.0007390100000000, -0.0008089600000000 ] - [ -0.0001664600000000, 0.0000158300000000, -0.0006855700000000 ] - [ -0.0000142500000000, -0.0000507500000000, -0.0005837500000000 ] - [ 0.0008335400000000, 0.0002154800000000, -0.0018129600000000 ] - [ -0.0002726600000000, -0.0002078800000000, 0.0009926800000000 ] - [ 0.0002317900000000, 0.0001881200000000, 0.0008102200000000 ] - [ 0.0003533500000000, -0.0010932300000000, -0.0025451900000000 ] - [ 0.0066515900000000, -0.0018294500000000, -0.0008837300000000 ] - [ 0.0004246800000000, -0.0000239600000000, -0.0005488900000000 ] - [ 0.0011016400000000, -0.0002815200000000, -0.0002889600000000 ] - [ 0.0008390600000000, -0.0003091400000000, -0.0003571400000000 ] - [ -0.0002746400000000, 0.0001617800000000, 0.0006977800000000 ] - [ -0.0005953800000000, 0.0001405200000000, 0.0000410000000000 ] - [ 0.0002305300000000, -0.0001158900000000, -0.0005846200000000 ] - [ 0.0000238500000000, -0.0001273700000000, -0.0006830400000000 ] - [ 0.0005223600000000, 0.0003769500000000, -0.0005248100000000 ] - [ -0.0000583200000000, -0.0002810000000000, -0.0006049100000000 ] - [ -0.0036836500000000, -0.0016419800000000, -0.0003001200000000 ] - [ -0.0014522500000000, 0.0039847400000000, 0.0020834900000000 ] - [ 0.0001443400000000, 0.0024999200000000, -0.0006510100000000 ] - [ 0.0002193600000000, 0.0027735400000000, -0.0009030500000000 ] - [ -0.0027176800000000, -0.0015814700000000, -0.0005360300000000 ] - [ -0.0005162100000000, -0.0006759800000000, -0.0003728300000000 ] - [ 0.0020584500000000, -0.0017934100000000, -0.0004559000000000 ] - [ 0.0021006800000000, -0.0033534300000000, 0.0008363100000000 ] - [ 0.0010026800000000, -0.0016120200000000, -0.0015346800000000 ] - [ 0.0005296800000000, -0.0000588400000000, -0.0004894300000000 ] - [ -0.0175121800000000, -0.0150751300000000, 0.0162793200000000 ] - [ -0.0002303600000000, 0.0002940500000000, -0.0005845700000000 ] - [ -0.0003053500000000, -0.0009102900000000, -0.0002918600000000 ] - [ -0.0007211700000000, -0.0012189600000000, -0.0001895800000000 ] - [ 0.1142537800000000, -0.3590005700000000, -0.0592063600000000 ] - [ -0.0004902200000000, -0.0006640900000000, -0.0001291600000000 ] - [ 0.0012394300000000, 0.0012687700000000, 0.0004238800000000 ] - [ 0.0002078700000000, 0.0005490900000000, 0.0002150400000000 ] - [ 0.0064567400000000, 0.0024116500000000, -0.0053464000000000 ] - [ 0.0005512600000000, -0.0001937700000000, 0.0006115800000000 ] - [ -0.0060858200000000, 0.0008332500000000, 0.0001674100000000 ] - [ -0.0001063000000000, 0.0006917400000000, -0.0003316100000000 ] - [ -0.0001188700000000, -0.0011723900000000, 0.0011648100000000 ] - [ -0.0011520600000000, -0.0027101900000000, -0.0016950200000000 ] - [ -0.0004313400000000, 0.0011252300000000, 0.0005449100000000 ] - [ -0.0003743000000000, -0.0000176400000000, 0.0003668900000000 ] - [ -0.0007629700000000, -0.0000553800000000, -0.0007730100000000 ] - [ -0.0006701100000000, 0.0007065600000000, 0.0026177300000000 ] - [ -0.0014134600000000, -0.0001088800000000, 0.0005361400000000 ] - [ 0.0001570000000000, 0.0007424700000000, 0.0002197600000000 ] - [ 0.0024515800000000, 0.0017064300000000, 0.0003614900000000 ] - [ 0.0004806500000000, 0.0005349600000000, 0.0001220000000000 ] - [ -0.0004190000000000, 0.0013614600000000, 0.0000630500000000 ] - [ -0.0002532000000000, 0.0005475400000000, -0.0004034000000000 ] - [ 0.0013495300000000, -0.0000156100000000, -0.0004191200000000 ] - [ 0.0011883600000000, -0.0001048200000000, 0.0004475900000000 ] - [ -0.0025968100000000, 0.0008893800000000, 0.0004493300000000 ] - [ -0.0006359900000000, 0.0001116600000000, 0.0001339000000000 ] - [ 0.0013995500000000, -0.0012599900000000, -0.0010800800000000 ] - [ 0.0020849800000000, -0.0014554900000000, -0.0011164400000000 ] - [ 0.0048412100000000, -0.0037681600000000, 0.0040856400000000 ] - [ 0.0006069200000000, -0.0020891500000000, -0.0013384300000000 ] - [ -0.0006475900000000, 0.0004167900000000, 0.0005148900000000 ] - [ -0.0015188800000000, 0.0021777700000000, -0.0002750500000000 ] - [ 0.0002406600000000, -0.0005924600000000, 0.0004688600000000 ] - [ 0.0006060400000000, -0.0006562100000000, 0.0002862700000000 ] - [ 0.0004740300000000, 0.0001529100000000, 0.0003289900000000 ] - [ 0.0005115300000000, 0.0002053800000000, 0.0003939700000000 ] - [ -0.0012782400000000, 0.0006835700000000, 0.0014087400000000 ] - [ -0.0007184300000000, 0.0029531400000000, -0.0025058700000000 ] - [ 0.0026274000000000, 0.0011135000000000, -0.0001275300000000 ] - [ 0.0007855700000000, 0.0001208500000000, -0.0004817000000000 ] - [ -0.0008245000000000, 0.0013853200000000, -0.0002509100000000 ] - [ -0.0012563100000000, 0.0023894200000000, -0.0006885600000000 ] - [ -0.0014702500000000, 0.0078482400000000, 0.0004395000000000 ] - [ 0.0006832900000000, -0.0002734400000000, -0.0004578700000000 ] - [ 0.0032049300000000, 0.0116741900000000, -0.0027304900000000 ] - [ -0.0002663600000000, -0.0003292100000000, -0.0005306000000000 ] - [ 0.0002131500000000, -0.0007986700000000, 0.0004480200000000 ] - [ 0.0008386000000000, -0.0026894600000000, 0.0007486400000000 ] - [ 0.0003917000000000, 0.0002334900000000, 0.0002090700000000 ] - [ 0.0032152000000000, -0.0002949400000000, -0.0046963700000000 ] - [ -0.0003293600000000, 0.0009777000000000, -0.0003087300000000 ] - [ -0.0000103500000000, 0.0008852200000000, 0.0004269000000000 ] - [ -0.0019587500000000, 0.0000706400000000, -0.0012555400000000 ] - [ -0.0009233000000000, 0.0001086800000000, 0.0009484000000000 ] - [ -0.0004526800000000, -0.0004153600000000, 0.0003265300000000 ] - [ -0.0002948100000000, -0.0005182900000000, 0.0004914200000000 ] - [ -0.0050074700000000, 0.0017956200000000, 0.0004801600000000 ] - [ -0.0010541900000000, -0.0000518600000000, 0.0002472100000000 ] - [ -0.0027070600000000, 0.0516145400000000, 0.0067308300000000 ] - [ 0.0002114800000000, -0.0005582000000000, -0.0000523400000000 ]- atom: 79 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0015602300000000, -0.0010453400000000, 0.0005547500000000 ] - [ 0.0004806100000000, 0.0001067200000000, 0.0000750900000000 ] - [ 0.0013591400000000, -0.0025848800000000, 0.0001260600000000 ] - [ -0.0002616100000000, 0.0001518800000000, 0.0000802500000000 ] - [ -0.0016987100000000, 0.0014649600000000, 0.0001767100000000 ] - [ -0.0001886500000000, -0.0002492000000000, 0.0000973800000000 ] - [ -0.0001490100000000, -0.0007223400000000, -0.0018917100000000 ] - [ 0.0006026100000000, -0.0012468300000000, 0.0029036400000000 ] - [ -0.0005179700000000, 0.0006832600000000, 0.0002251400000000 ] - [ -0.0007027300000000, 0.0006739600000000, 0.0001677300000000 ] - [ 0.0008579300000000, 0.0002879600000000, 0.0004494200000000 ] - [ 0.0008840400000000, 0.0004536000000000, -0.0000070000000000 ] - [ -0.0000679500000000, -0.0003111500000000, 0.0004555000000000 ] - [ 0.0126551200000000, -0.0137152600000000, 0.0039879800000000 ] - [ 0.0032027200000000, 0.0039917800000000, -0.0025422400000000 ] - [ 0.0009520800000000, 0.0006331300000000, 0.0003596400000000 ] - [ 0.0028712000000000, 0.0026439700000000, -0.0005381600000000 ] - [ 0.0006304000000000, 0.0005288700000000, 0.0002668200000000 ] - [ -0.0008856800000000, 0.0004640300000000, -0.0004373200000000 ] - [ -0.0010165900000000, 0.0004525600000000, 0.0001201000000000 ] - [ -0.0002487400000000, -0.0016392200000000, -0.0014647200000000 ] - [ 0.0003558400000000, -0.0013276000000000, -0.0005802500000000 ] - [ 0.0669995900000000, -0.2309639000000000, -0.0188909500000000 ] - [ 0.0001764300000000, -0.0010011900000000, 0.0002502000000000 ] - [ 0.0003953700000000, -0.0001267700000000, 0.0003022700000000 ] - [ 0.0002331900000000, -0.0003316300000000, 0.0005425000000000 ] - [ -0.0031441200000000, 0.0012010000000000, -0.0007003500000000 ] - [ -0.0007391000000000, 0.0002866300000000, 0.0002657400000000 ] - [ -0.0006415400000000, 0.0003028400000000, 0.0003341300000000 ] - [ -0.0013291000000000, 0.0005792500000000, 0.0008391500000000 ] - [ -0.0010624700000000, 0.0019011600000000, 0.0032980200000000 ] - [ 0.0001805800000000, 0.0002909200000000, -0.0006572300000000 ] - [ 0.0187798700000000, -0.0415491300000000, -0.0283299700000000 ] - [ 0.0002668100000000, -0.0003493100000000, -0.0002546900000000 ] - [ -0.0010832900000000, 0.0010574700000000, -0.0008783600000000 ] - [ -0.0001456000000000, 0.0010186700000000, -0.0004212400000000 ] - [ -0.0003329600000000, 0.0007606800000000, -0.0005927100000000 ] - [ -0.0002010300000000, 0.0004047400000000, -0.0006508700000000 ] - [ -0.0000884200000000, -0.0000622200000000, 0.0004708200000000 ] - [ 0.0002885400000000, 0.0001750400000000, 0.0005078900000000 ] - [ 0.0000175400000000, -0.0008388500000000, -0.0003876800000000 ] - [ -0.0002353700000000, -0.0009010000000000, -0.0002046200000000 ] - [ -0.0000762600000000, -0.0003518700000000, 0.0000078300000000 ] - [ 0.0001306200000000, -0.0002306600000000, 0.0006216000000000 ] - [ -0.0009358400000000, -0.0003762600000000, -0.0004064400000000 ] - [ -0.0007383200000000, -0.0005119500000000, -0.0003861000000000 ] - [ 0.0005727400000000, 0.0003385800000000, -0.0005923600000000 ] - [ 0.0000967400000000, 0.0002355100000000, 0.0000876200000000 ] - [ -0.0005973000000000, -0.0000452200000000, -0.0005710800000000 ] - [ -0.0007575800000000, 0.0000238400000000, -0.0006750400000000 ] - [ -0.0014623100000000, -0.0004624400000000, 0.0024032700000000 ] - [ -0.0003557400000000, -0.0000276700000000, -0.0004444600000000 ] - [ 0.0003949700000000, 0.0000497000000000, -0.0002489000000000 ] - [ 0.0002732900000000, 0.0013376700000000, 0.0031292600000000 ] - [ -0.0059184100000000, 0.0018641600000000, -0.0003706700000000 ] - [ 0.0003402700000000, 0.0000532900000000, -0.0007099800000000 ] - [ 0.0004284200000000, -0.0004150200000000, -0.0004289400000000 ] - [ 0.0006922300000000, -0.0003873300000000, -0.0003660800000000 ] - [ -0.0002450000000000, 0.0002642500000000, -0.0001372400000000 ] - [ 0.0000768700000000, 0.0002853100000000, 0.0005283500000000 ] - [ 0.0001274000000000, 0.0007946200000000, -0.0006715100000000 ] - [ 0.0003376200000000, 0.0008079300000000, -0.0005748200000000 ] - [ -0.0008811100000000, -0.0010505700000000, -0.0007304200000000 ] - [ -0.0003034000000000, -0.0003967400000000, -0.0006533300000000 ] - [ 0.0035513300000000, 0.0021032800000000, -0.0007177000000000 ] - [ 0.0015430900000000, -0.0033663200000000, -0.0031080600000000 ] - [ 0.0003708100000000, -0.0028235800000000, -0.0003482200000000 ] - [ 0.0002695200000000, -0.0031166000000000, -0.0001211800000000 ] - [ 0.0027074100000000, 0.0009916300000000, -0.0004618900000000 ] - [ 0.0004785900000000, 0.0000911000000000, -0.0006477700000000 ] - [ -0.0025806400000000, 0.0015211400000000, -0.0005521400000000 ] - [ -0.0026421300000000, 0.0031075800000000, -0.0018562000000000 ] - [ -0.0004907200000000, 0.0019025500000000, 0.0005363400000000 ] - [ -0.0000169400000000, 0.0003293700000000, -0.0005275600000000 ] - [ 0.0171185400000000, 0.0154403800000000, -0.0173854600000000 ] - [ -0.0002635700000000, 0.0000278700000000, -0.0004307700000000 ] - [ -0.0000707800000000, 0.0014417300000000, 0.0005195600000000 ] - [ 0.0003632400000000, 0.0017729300000000, 0.0004379000000000 ] - [ -0.1119350700000000, 0.3372113000000000, 0.0508234400000000 ] - [ -0.0008204300000000, 0.0002624700000000, 0.0004881400000000 ] - [ -0.0014177300000000, -0.0007742100000000, 0.0003355400000000 ] - [ -0.0003775000000000, -0.0000621200000000, 0.0005618600000000 ] - [ -0.0059622800000000, -0.0025202100000000, 0.0061332200000000 ] - [ -0.0000425300000000, 0.0000966600000000, 0.0001598300000000 ] - [ 0.0064428500000000, 0.0005172900000000, 0.0001472400000000 ] - [ 0.0004028000000000, 0.0006488900000000, 0.0006754500000000 ] - [ 0.0006063800000000, 0.0017070500000000, -0.0016623500000000 ] - [ 0.0016767200000000, 0.0032646400000000, 0.0012387000000000 ] - [ 0.0001021600000000, -0.0015251200000000, 0.0002151400000000 ] - [ 0.0000478600000000, -0.0003712900000000, 0.0004048300000000 ] - [ 0.0004665500000000, -0.0012911300000000, 0.0011036500000000 ] - [ 0.0003760000000000, -0.0020562600000000, -0.0023052700000000 ] - [ 0.0018859500000000, 0.0019563300000000, 0.0001283700000000 ] - [ 0.0003321400000000, 0.0011058800000000, 0.0004555900000000 ] - [ -0.0021898700000000, -0.0011247700000000, -0.0001351900000000 ] - [ -0.0001945200000000, 0.0000573500000000, 0.0001167800000000 ] - [ 0.0002152500000000, -0.0006746300000000, -0.0005529600000000 ] - [ 0.0000495700000000, 0.0001465900000000, -0.0000748000000000 ] - [ -0.0000404100000000, 0.0004175400000000, 0.0007477600000000 ] - [ 0.0001195000000000, 0.0005136600000000, -0.0001236800000000 ] - [ 0.0019662500000000, -0.0009533600000000, -0.0002243300000000 ] - [ -0.0000041700000000, -0.0001619000000000, 0.0000999600000000 ] - [ -0.0016232300000000, 0.0006747400000000, 0.0013032400000000 ] - [ -0.0023999800000000, 0.0008682900000000, 0.0013628200000000 ] - [ -0.0054355700000000, 0.0039994900000000, -0.0042227000000000 ] - [ -0.0013322100000000, 0.0022311200000000, 0.0009144300000000 ] - [ 0.0009787100000000, -0.0000213800000000, 0.0002502200000000 ] - [ 0.0018577200000000, -0.0017971100000000, 0.0010451900000000 ] - [ 0.0011182200000000, -0.0007510900000000, 0.0001979500000000 ] - [ 0.0007505100000000, -0.0006888800000000, 0.0003858300000000 ] - [ 0.0013630800000000, 0.0003336500000000, 0.0003307700000000 ] - [ 0.0013288200000000, 0.0002798400000000, 0.0002695700000000 ] - [ 0.0014826400000000, -0.0013752000000000, -0.0019140500000000 ] - [ 0.0009368600000000, -0.0036815400000000, 0.0020406600000000 ] - [ -0.0019408600000000, -0.0012835900000000, -0.0003647500000000 ] - [ -0.0000870700000000, -0.0002897200000000, 0.0000006100000000 ] - [ 0.0014696900000000, -0.0013331600000000, 0.0004777400000000 ] - [ 0.0019130900000000, -0.0023559200000000, 0.0009279600000000 ] - [ 0.0025204800000000, -0.0089240000000000, -0.0001245900000000 ] - [ 0.0003205700000000, -0.0006525100000000, 0.0007999600000000 ] - [ -0.0037319000000000, -0.0122444600000000, 0.0022596900000000 ] - [ -0.0002318500000000, -0.0002007000000000, 0.0000487300000000 ] - [ -0.0007411500000000, 0.0008979500000000, 0.0003178000000000 ] - [ -0.0013247000000000, 0.0028116400000000, 0.0000248300000000 ] - [ -0.0002029300000000, -0.0006433200000000, 0.0005986300000000 ] - [ -0.0030729700000000, -0.0002015000000000, 0.0054744000000000 ] - [ -0.0006645500000000, -0.0000374200000000, 0.0006390800000000 ] - [ -0.0010031300000000, 0.0000382100000000, -0.0001034800000000 ] - [ 0.0006026000000000, 0.0012683700000000, 0.0019162300000000 ] - [ -0.0004347600000000, 0.0012453200000000, -0.0002773200000000 ] - [ -0.0000303900000000, -0.0014353100000000, 0.0003409800000000 ] - [ -0.0001906200000000, -0.0013325400000000, 0.0001785900000000 ] - [ 0.0031903300000000, -0.0022873700000000, 0.0001774300000000 ] - [ -0.0007815700000000, -0.0004342000000000, 0.0004172000000000 ] - [ 0.0029860400000000, -0.0518632400000000, -0.0063153000000000 ] - [ 0.0001578300000000, 0.0000234800000000, 0.0002904400000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001740800000000, 0.0002390700000000, 0.0016050700000000 ] - [ 0.0005597800000000, 0.0004123600000000, -0.0007139800000000 ] - [ -0.0008490300000000, 0.0000078300000000, 0.0041705900000000 ] - [ -0.0010000400000000, 0.0002864700000000, -0.0019301400000000 ] - [ 0.0002700400000000, -0.0005314600000000, 0.0011010900000000 ] - [ 0.0001162000000000, -0.0006499900000000, -0.0005038600000000 ] - [ -0.0002389400000000, 0.0025671400000000, -0.0004999300000000 ] - [ -0.0002981800000000, -0.0018920100000000, -0.0013539100000000 ] - [ -0.0000678000000000, 0.0004286800000000, 0.0003554000000000 ] - [ -0.0005666700000000, 0.0005512300000000, 0.0000257400000000 ] - [ 0.0005606000000000, -0.0014766200000000, 0.0005462000000000 ] - [ 0.0006804800000000, 0.0006198800000000, -0.0000185300000000 ] - [ 0.0074352100000000, -0.0023116400000000, -0.0069003700000000 ] - [ 0.0084705300000000, -0.0027471400000000, 0.0195286400000000 ] - [ -0.0009387800000000, -0.0008463200000000, 0.0018038300000000 ] - [ -0.0001406500000000, -0.0000884700000000, -0.0020658200000000 ] - [ 0.0001953900000000, 0.0002187400000000, 0.0005656000000000 ] - [ 0.0004607100000000, -0.0000227000000000, 0.0000852800000000 ] - [ -0.0008174000000000, 0.0004018800000000, -0.0004692400000000 ] - [ -0.0007285300000000, 0.0003951900000000, -0.0003526100000000 ] - [ -0.0011117300000000, 0.0016205600000000, -0.0005222000000000 ] - [ 0.0004925900000000, -0.0011734300000000, -0.0010259200000000 ] - [ -0.0119277100000000, 0.0521762900000000, 0.0561448400000000 ] - [ 0.0000160200000000, -0.0000541600000000, -0.0001793900000000 ] - [ -0.0000680900000000, 0.0008760500000000, 0.0003257600000000 ] - [ 0.0000837100000000, -0.0005178900000000, 0.0004028100000000 ] - [ -0.0004996900000000, 0.0000905600000000, 0.0003467400000000 ] - [ -0.0003431200000000, 0.0001833600000000, 0.0002594900000000 ] - [ 0.0006868000000000, -0.0002365500000000, 0.0003580800000000 ] - [ -0.0001212200000000, -0.0000295500000000, 0.0003242300000000 ] - [ 0.0002847200000000, -0.0006853400000000, 0.0015280800000000 ] - [ 0.0002828200000000, 0.0004435200000000, -0.0017690500000000 ] - [ -0.0088678300000000, -0.0047252600000000, 0.3013941100000000 ] - [ -0.0000405100000000, -0.0008333300000000, -0.0031905700000000 ] - [ -0.0001242700000000, 0.0010993800000000, 0.0002339900000000 ] - [ -0.0001104400000000, 0.0008124100000000, -0.0006630100000000 ] - [ -0.0001911400000000, 0.0001751900000000, -0.0005255400000000 ] - [ -0.0001666400000000, 0.0002534700000000, -0.0007087000000000 ] - [ -0.0028529100000000, -0.0024855400000000, -0.0002768000000000 ] - [ 0.0007679500000000, 0.0006982900000000, 0.0004967800000000 ] - [ 0.0000843900000000, -0.0007527300000000, -0.0004326900000000 ] - [ 0.0000157100000000, -0.0008790400000000, -0.0002821000000000 ] - [ -0.0003251200000000, -0.0003407800000000, -0.0005520000000000 ] - [ 0.0000727900000000, -0.0003590500000000, 0.0008038700000000 ] - [ -0.0007516800000000, -0.0004159800000000, -0.0000809500000000 ] - [ -0.0006601300000000, -0.0005482900000000, -0.0006177900000000 ] - [ 0.0003042500000000, 0.0007419200000000, -0.0006913600000000 ] - [ 0.0012709000000000, 0.0003293400000000, -0.0003243300000000 ] - [ -0.0001278400000000, -0.0000639300000000, -0.0005096300000000 ] - [ -0.0010206800000000, 0.0001894900000000, -0.0007587900000000 ] - [ 0.0008794800000000, -0.0003561000000000, 0.0019135000000000 ] - [ -0.0005843100000000, 0.0001038900000000, -0.0016984800000000 ] - [ 0.0002852900000000, 0.0001046200000000, -0.0000353200000000 ] - [ 0.0003018500000000, -0.0000115200000000, 0.0002337600000000 ] - [ 0.0017798600000000, -0.0003503400000000, -0.0005218400000000 ] - [ 0.0003505800000000, 0.0001009300000000, -0.0008424100000000 ] - [ 0.0005297700000000, -0.0003308700000000, 0.0000385700000000 ] - [ 0.0008176000000000, -0.0003152700000000, -0.0007037600000000 ] - [ -0.0002327800000000, 0.0001680200000000, -0.0000661000000000 ] - [ -0.0003861800000000, 0.0001247200000000, 0.0007769500000000 ] - [ 0.0000492000000000, 0.0002516900000000, -0.0004939600000000 ] - [ 0.0005289400000000, 0.0006596400000000, -0.0007805400000000 ] - [ -0.0000600700000000, -0.0001806200000000, -0.0005672400000000 ] - [ -0.0005133200000000, -0.0004720300000000, -0.0007751100000000 ] - [ -0.0196479200000000, -0.0146533800000000, -0.0012115200000000 ] - [ 0.0056578800000000, -0.0012252800000000, -0.0045189800000000 ] - [ 0.0020513700000000, 0.0012324100000000, 0.0004788600000000 ] - [ -0.0025232100000000, -0.0001232600000000, -0.0035474000000000 ] - [ 0.0005291000000000, -0.0014728700000000, 0.0011755900000000 ] - [ -0.0009368900000000, 0.0000479300000000, -0.0016876700000000 ] - [ 0.0013916400000000, -0.0013499200000000, -0.0004344300000000 ] - [ -0.0009525100000000, 0.0022571900000000, -0.0021129400000000 ] - [ 0.0001590400000000, 0.0007142300000000, 0.0002447800000000 ] - [ -0.0003428900000000, -0.0004225600000000, -0.0015154500000000 ] - [ -0.0073672000000000, -0.0020881800000000, 0.0061508800000000 ] - [ 0.0009343000000000, 0.0007744300000000, -0.0018388100000000 ] - [ -0.0008223400000000, -0.0007596900000000, -0.0007930300000000 ] - [ 0.0015991100000000, 0.0019372400000000, 0.0021011500000000 ] - [ 0.0065545100000000, -0.0572451800000000, -0.4258439300000000 ] - [ -0.0004605500000000, -0.0004422400000000, 0.0039529200000000 ] - [ -0.0000405900000000, 0.0014628500000000, -0.0009876200000000 ] - [ 0.0000909500000000, -0.0001107800000000, 0.0014604300000000 ] - [ 0.0021116300000000, -0.0016902000000000, -0.0028174900000000 ] - [ -0.0002996900000000, 0.0000671400000000, 0.0015254700000000 ] - [ 0.0004434800000000, 0.0012512600000000, -0.0030189900000000 ] - [ -0.0004782300000000, 0.0002199900000000, 0.0023803900000000 ] - [ -0.0010897400000000, -0.0001833900000000, -0.0009197600000000 ] - [ 0.0017326900000000, 0.0005213400000000, 0.0020636900000000 ] - [ -0.0002167700000000, -0.0002912900000000, -0.0003982400000000 ] - [ 0.0002864400000000, 0.0001410700000000, 0.0013084000000000 ] - [ -0.0004136600000000, -0.0006955200000000, 0.0000768600000000 ] - [ 0.0003252000000000, -0.0005613900000000, 0.0005230100000000 ] - [ -0.0005145900000000, 0.0008073000000000, -0.0004969700000000 ] - [ 0.0008658800000000, 0.0007627300000000, 0.0011241000000000 ] - [ -0.0003753400000000, 0.0004144600000000, -0.0007658200000000 ] - [ 0.0006697300000000, 0.0005806500000000, 0.0010070500000000 ] - [ 0.0000134700000000, 0.0003540800000000, -0.0009207800000000 ] - [ 0.0003734600000000, 0.0004569000000000, 0.0006224300000000 ] - [ 0.0008451900000000, -0.0000180600000000, 0.0001167000000000 ] - [ 0.0005857000000000, 0.0008356900000000, 0.0001143000000000 ] - [ -0.0001573300000000, -0.0003933900000000, -0.0004055100000000 ] - [ -0.0002682200000000, 0.0003491700000000, 0.0006585800000000 ] - [ 0.0076134800000000, 0.0010939200000000, -0.0006979800000000 ] - [ -0.0038362600000000, 0.0004299200000000, 0.0019541300000000 ] - [ 0.0117477500000000, 0.0110274300000000, 0.0442098600000000 ] - [ -0.0019046100000000, -0.0012984600000000, 0.0047208700000000 ] - [ -0.0005969700000000, 0.0007616800000000, 0.0006052000000000 ] - [ 0.0021900700000000, -0.0025826800000000, 0.0009010300000000 ] - [ 0.0007807400000000, -0.0004890400000000, -0.0000315500000000 ] - [ 0.0006401100000000, -0.0007310400000000, 0.0006702700000000 ] - [ 0.0010264900000000, 0.0002574400000000, 0.0000907600000000 ] - [ 0.0012749600000000, 0.0000854400000000, 0.0005610000000000 ] - [ -0.0014068900000000, 0.0009186800000000, -0.0008632000000000 ] - [ 0.0001582300000000, -0.0028023700000000, 0.0024185000000000 ] - [ 0.0006995900000000, 0.0005375300000000, -0.0010376300000000 ] - [ 0.0005224300000000, -0.0002239600000000, 0.0003043400000000 ] - [ -0.0004390500000000, 0.0009507600000000, -0.0005414200000000 ] - [ 0.0009854800000000, -0.0014937800000000, 0.0013357700000000 ] - [ -0.0003352700000000, -0.0000305300000000, -0.0030121200000000 ] - [ 0.0002539300000000, 0.0002587600000000, 0.0023815600000000 ] - [ 0.0018348600000000, 0.0023975600000000, -0.0015317600000000 ] - [ -0.0005073600000000, -0.0003928900000000, 0.0002932600000000 ] - [ -0.0019432600000000, -0.0005576700000000, 0.0005612700000000 ] - [ 0.0041695900000000, 0.0009187900000000, 0.0040143300000000 ] - [ 0.0026342100000000, 0.0092846400000000, 0.0054682800000000 ] - [ -0.0030530400000000, -0.0042249200000000, 0.0064451300000000 ] - [ 0.0013452800000000, 0.0022414900000000, 0.0005340300000000 ] - [ -0.0012362900000000, -0.0001981200000000, 0.0000723800000000 ] - [ 0.0004171600000000, -0.0012271900000000, 0.0002217900000000 ] - [ -0.0010028800000000, 0.0014081100000000, 0.0008691500000000 ] - [ -0.0000753000000000, -0.0008947000000000, 0.0001174200000000 ] - [ -0.0005356400000000, -0.0011080300000000, 0.0005691000000000 ] - [ -0.0017404600000000, -0.0000472900000000, -0.0001174500000000 ] - [ -0.0009385800000000, -0.0002872300000000, 0.0007523400000000 ] - [ -0.0009295300000000, 0.0150236300000000, -0.0072377200000000 ] - [ -0.0002008800000000, -0.0011151800000000, 0.0011838600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006387600000000, 0.0004402700000000, -0.0011696600000000 ] - [ 0.0002440700000000, 0.0002727900000000, 0.0011451200000000 ] - [ -0.0000956200000000, 0.0003410600000000, -0.0037549400000000 ] - [ 0.0000108100000000, 0.0000584300000000, 0.0023522000000000 ] - [ -0.0000928200000000, -0.0005237400000000, -0.0006543900000000 ] - [ 0.0000742100000000, -0.0004201500000000, 0.0009478600000000 ] - [ -0.0005630100000000, -0.0032552400000000, 0.0009337000000000 ] - [ -0.0004973200000000, 0.0011883200000000, 0.0018023300000000 ] - [ -0.0001277600000000, 0.0006436600000000, 0.0000903700000000 ] - [ 0.0003695300000000, 0.0005200400000000, 0.0004189500000000 ] - [ 0.0004321100000000, 0.0011315800000000, -0.0001086700000000 ] - [ 0.0003103600000000, -0.0009570900000000, 0.0004468800000000 ] - [ -0.0073879800000000, 0.0022947500000000, 0.0062473000000000 ] - [ -0.0079925300000000, 0.0023587400000000, -0.0198754800000000 ] - [ 0.0009612400000000, 0.0008752500000000, -0.0024538300000000 ] - [ 0.0001453000000000, 0.0000950300000000, 0.0014316600000000 ] - [ 0.0004835500000000, 0.0001985300000000, 0.0001184200000000 ] - [ 0.0001966100000000, 0.0004218600000000, 0.0006056700000000 ] - [ -0.0007141900000000, 0.0002956800000000, -0.0002521400000000 ] - [ -0.0008039800000000, 0.0003023000000000, -0.0003648500000000 ] - [ 0.0015205900000000, -0.0022697000000000, -0.0007310900000000 ] - [ -0.0000834500000000, 0.0005151600000000, -0.0002334600000000 ] - [ 0.0122121700000000, -0.0537334600000000, -0.0570544900000000 ] - [ 0.0000028100000000, -0.0007148100000000, 0.0008695100000000 ] - [ 0.0000530700000000, -0.0001130800000000, 0.0003667600000000 ] - [ -0.0001000500000000, 0.0012783500000000, 0.0002907900000000 ] - [ -0.0001865800000000, 0.0002841900000000, 0.0003443900000000 ] - [ -0.0003318300000000, 0.0001850200000000, 0.0004319000000000 ] - [ -0.0000212100000000, -0.0001284600000000, 0.0003334700000000 ] - [ 0.0007808200000000, -0.0003324300000000, 0.0003707100000000 ] - [ -0.0001901500000000, 0.0013717300000000, -0.0009306000000000 ] - [ -0.0001728500000000, 0.0002193600000000, 0.0023249900000000 ] - [ 0.0103938800000000, 0.0025527000000000, -0.3276940300000000 ] - [ 0.0005582200000000, 0.0004015700000000, 0.0037322100000000 ] - [ -0.0000421900000000, 0.0005731400000000, -0.0009582800000000 ] - [ -0.0000528500000000, 0.0008626100000000, -0.0000590200000000 ] - [ -0.0002165600000000, 0.0004778900000000, -0.0007317500000000 ] - [ -0.0002396200000000, 0.0003953300000000, -0.0005490400000000 ] - [ 0.0021958200000000, 0.0020862700000000, 0.0009690200000000 ] - [ -0.0014154400000000, -0.0010908400000000, 0.0001970800000000 ] - [ 0.0000778400000000, -0.0009208500000000, -0.0002885500000000 ] - [ 0.0001447300000000, -0.0007954600000000, -0.0004379600000000 ] - [ 0.0002144700000000, -0.0003212900000000, 0.0011146800000000 ] - [ -0.0001801700000000, -0.0003019700000000, -0.0002337000000000 ] - [ -0.0006178500000000, -0.0005615400000000, -0.0006407000000000 ] - [ -0.0007079500000000, -0.0004305900000000, -0.0001041700000000 ] - [ 0.0010623400000000, 0.0002368500000000, -0.0000308900000000 ] - [ 0.0000954300000000, 0.0006457300000000, -0.0003940400000000 ] - [ -0.0006394400000000, 0.0000350100000000, -0.0007480200000000 ] - [ 0.0002509900000000, -0.0002171200000000, -0.0004995700000000 ] - [ -0.0015190800000000, 0.0001137500000000, -0.0013350300000000 ] - [ -0.0000437700000000, -0.0003414900000000, 0.0022571700000000 ] - [ 0.0003417900000000, 0.0001329400000000, 0.0005980200000000 ] - [ 0.0003245500000000, 0.0002596200000000, 0.0003557700000000 ] - [ -0.0010683800000000, 0.0003928400000000, -0.0007345000000000 ] - [ 0.0004145700000000, -0.0000718800000000, -0.0004161000000000 ] - [ 0.0009996400000000, -0.0003663800000000, -0.0007595800000000 ] - [ 0.0007132600000000, -0.0003819900000000, -0.0000180100000000 ] - [ -0.0002872500000000, 0.0002580100000000, 0.0006284400000000 ] - [ -0.0001311300000000, 0.0003019100000000, -0.0002095900000000 ] - [ 0.0003092500000000, 0.0004286000000000, -0.0007635100000000 ] - [ -0.0001677700000000, 0.0000212600000000, -0.0004765700000000 ] - [ -0.0003019600000000, -0.0004995600000000, -0.0006902400000000 ] - [ 0.0001526000000000, -0.0002059700000000, -0.0004826300000000 ] - [ 0.0195349400000000, 0.0151749900000000, 0.0002514800000000 ] - [ -0.0055728800000000, 0.0018123600000000, 0.0035075000000000 ] - [ -0.0015473900000000, -0.0015711400000000, -0.0014751600000000 ] - [ 0.0030179800000000, -0.0002060800000000, 0.0025319300000000 ] - [ -0.0005398300000000, 0.0008943600000000, -0.0021859200000000 ] - [ 0.0009021000000000, -0.0006325900000000, 0.0006701100000000 ] - [ -0.0019275100000000, 0.0010883700000000, -0.0005755600000000 ] - [ 0.0004341800000000, -0.0024964900000000, 0.0010745800000000 ] - [ 0.0003541300000000, -0.0004302800000000, -0.0012478300000000 ] - [ 0.0008572900000000, 0.0006945900000000, 0.0005022200000000 ] - [ 0.0070243500000000, 0.0025239000000000, -0.0073171200000000 ] - [ -0.0014326500000000, -0.0004548200000000, 0.0008291800000000 ] - [ 0.0004502200000000, 0.0012984700000000, 0.0010240300000000 ] - [ -0.0019608400000000, -0.0013938800000000, -0.0018585800000000 ] - [ -0.0097795100000000, 0.0602691600000000, 0.4545577700000000 ] - [ -0.0008516000000000, 0.0000432000000000, -0.0036052700000000 ] - [ -0.0001414800000000, -0.0009812000000000, 0.0017542300000000 ] - [ -0.0002621800000000, 0.0005974600000000, -0.0006863600000000 ] - [ -0.0016460000000000, 0.0015877200000000, 0.0036357300000000 ] - [ 0.0008100000000000, -0.0001647900000000, -0.0007596300000000 ] - [ -0.0001224600000000, 0.0001018500000000, 0.0033363600000000 ] - [ 0.0007782100000000, 0.0011224900000000, -0.0020481000000000 ] - [ 0.0015859600000000, 0.0007211400000000, 0.0004197600000000 ] - [ -0.0012298900000000, 0.0000132900000000, -0.0025390600000000 ] - [ -0.0001116400000000, -0.0001086000000000, 0.0011621700000000 ] - [ -0.0006140700000000, -0.0005317700000000, -0.0005400700000000 ] - [ 0.0001182200000000, -0.0006516900000000, 0.0002544500000000 ] - [ -0.0006210000000000, -0.0007927000000000, -0.0002170200000000 ] - [ 0.0010052000000000, 0.0010477500000000, 0.0011637700000000 ] - [ -0.0003788200000000, 0.0010864200000000, -0.0004525300000000 ] - [ 0.0006384700000000, 0.0001639000000000, 0.0009961000000000 ] - [ -0.0003860800000000, 0.0000106600000000, -0.0007706800000000 ] - [ -0.0002191500000000, 0.0003321700000000, 0.0004331200000000 ] - [ -0.0005777800000000, 0.0002352500000000, -0.0011041900000000 ] - [ 0.0004613700000000, 0.0004215900000000, 0.0002120200000000 ] - [ 0.0007213500000000, -0.0004316500000000, 0.0002095500000000 ] - [ -0.0004736800000000, 0.0003353000000000, 0.0006315200000000 ] - [ -0.0003722100000000, -0.0004014700000000, -0.0004269600000000 ] - [ -0.0078744900000000, -0.0016855700000000, 0.0008961900000000 ] - [ 0.0035243300000000, -0.0010132400000000, -0.0017120700000000 ] - [ -0.0124037800000000, -0.0108544800000000, -0.0449589600000000 ] - [ 0.0011805500000000, 0.0014432500000000, -0.0051328300000000 ] - [ 0.0009329500000000, -0.0003697900000000, 0.0001585700000000 ] - [ -0.0018304700000000, 0.0029366200000000, -0.0001162800000000 ] - [ 0.0005786500000000, -0.0008571100000000, 0.0006993700000000 ] - [ 0.0007165200000000, -0.0006140800000000, 0.0000001100000000 ] - [ 0.0008121300000000, 0.0002279100000000, 0.0005704000000000 ] - [ 0.0005640600000000, 0.0003996000000000, 0.0001003700000000 ] - [ 0.0016200000000000, -0.0016183600000000, 0.0003570800000000 ] - [ 0.0000491700000000, 0.0020977700000000, -0.0028859900000000 ] - [ -0.0000199800000000, -0.0007139500000000, 0.0005499000000000 ] - [ 0.0001734600000000, 0.0000544300000000, -0.0007876900000000 ] - [ 0.0010902900000000, -0.0009061100000000, 0.0007734100000000 ] - [ -0.0003336100000000, 0.0015248700000000, -0.0010945400000000 ] - [ 0.0013539800000000, -0.0009798200000000, 0.0033433200000000 ] - [ 0.0007494300000000, -0.0011883100000000, -0.0020469200000000 ] - [ -0.0023655700000000, -0.0030223500000000, 0.0010690000000000 ] - [ 0.0000105000000000, -0.0001360100000000, -0.0007772700000000 ] - [ 0.0014192800000000, 0.0006601500000000, 0.0002017800000000 ] - [ -0.0046444200000000, -0.0007945600000000, -0.0032223500000000 ] - [ -0.0024349500000000, -0.0097323200000000, -0.0046899700000000 ] - [ 0.0031856800000000, 0.0036817300000000, -0.0056338800000000 ] - [ -0.0023483900000000, -0.0013121800000000, -0.0002059100000000 ] - [ 0.0002244300000000, 0.0011235800000000, 0.0002500900000000 ] - [ -0.0017719200000000, 0.0025743800000000, 0.0004474400000000 ] - [ -0.0003530100000000, -0.0000561500000000, -0.0002029900000000 ] - [ -0.0004082600000000, -0.0009571700000000, 0.0005508500000000 ] - [ 0.0000506100000000, -0.0007435200000000, 0.0000988900000000 ] - [ -0.0000610900000000, -0.0004539100000000, 0.0007783600000000 ] - [ -0.0008967800000000, -0.0001989600000000, -0.0000898000000000 ] - [ 0.0013210900000000, -0.0159402500000000, 0.0074281100000000 ] - [ 0.0005716700000000, 0.0005836900000000, -0.0009496100000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013097000000000, -0.0006402400000000, 0.0002414200000000 ] - [ 0.0005497300000000, 0.0002250900000000, 0.0000861800000000 ] - [ 0.0017992500000000, -0.0004730800000000, 0.0002144100000000 ] - [ -0.0002303900000000, 0.0002302800000000, 0.0000703200000000 ] - [ -0.0017477300000000, -0.0004494200000000, 0.0003890900000000 ] - [ -0.0002995700000000, -0.0004889800000000, 0.0001396600000000 ] - [ -0.0006409700000000, -0.0009457800000000, -0.0000642800000000 ] - [ -0.0004988700000000, -0.0006581100000000, 0.0004536200000000 ] - [ -0.0006969100000000, 0.0009740900000000, -0.0001964900000000 ] - [ -0.0004674200000000, 0.0006826300000000, 0.0005839400000000 ] - [ 0.0051360800000000, -0.0015902400000000, -0.0033204200000000 ] - [ 0.0012975500000000, -0.0009475300000000, -0.0022297200000000 ] - [ -0.0002047300000000, -0.0011826400000000, 0.0000819600000000 ] - [ -0.0012119100000000, -0.0029868000000000, -0.0018983400000000 ] - [ 0.0041180700000000, 0.0006130800000000, -0.0054468100000000 ] - [ 0.0003932800000000, -0.0001302100000000, -0.0001075800000000 ] - [ -0.0053233400000000, -0.0034260800000000, 0.0000928400000000 ] - [ 0.0004695200000000, 0.0002718400000000, 0.0003675500000000 ] - [ -0.0009479800000000, 0.0004472900000000, -0.0001348700000000 ] - [ -0.0012979500000000, 0.0007081800000000, -0.0005116600000000 ] - [ 0.0002424500000000, -0.0001688000000000, -0.0006524500000000 ] - [ 0.0002513600000000, -0.0004259200000000, -0.0006376100000000 ] - [ 0.0002777900000000, -0.0015429300000000, 0.0000837400000000 ] - [ 0.0000655800000000, -0.0007197000000000, 0.0002532100000000 ] - [ 0.0006275500000000, -0.0006560200000000, 0.0008675100000000 ] - [ 0.0003325800000000, 0.0000362200000000, 0.0004838800000000 ] - [ -0.0018090700000000, 0.0006798800000000, 0.0000713000000000 ] - [ -0.0006474200000000, 0.0002690800000000, 0.0002712500000000 ] - [ -0.0016353300000000, 0.0003248600000000, 0.0008864700000000 ] - [ -0.0005406000000000, 0.0000366500000000, 0.0005069000000000 ] - [ -0.0017653100000000, -0.0000720600000000, 0.0022425900000000 ] - [ 0.0000694100000000, 0.0002791900000000, -0.0000242100000000 ] - [ 0.0002469000000000, -0.0005940200000000, 0.0004343500000000 ] - [ 0.0002377600000000, -0.0002783400000000, 0.0000176700000000 ] - [ -0.0003702800000000, 0.0010214400000000, -0.0003865200000000 ] - [ -0.0001973500000000, 0.0009299200000000, -0.0004418900000000 ] - [ 0.0000929300000000, 0.0078402200000000, -0.0000427100000000 ] - [ -0.0000582300000000, 0.0003795000000000, -0.0005949700000000 ] - [ 0.0009260400000000, 0.0011910100000000, 0.0005333200000000 ] - [ 0.0003700200000000, 0.0003245600000000, 0.0005223300000000 ] - [ 0.0001222200000000, -0.0006748800000000, -0.0003176700000000 ] - [ -0.0002105300000000, -0.0005701500000000, -0.0006220200000000 ] - [ -0.0000360400000000, -0.0006334400000000, -0.0011338200000000 ] - [ 0.0003037300000000, -0.0003212700000000, 0.0022507700000000 ] - [ -0.0009562700000000, 0.0003228600000000, -0.0000054100000000 ] - [ -0.0004829500000000, -0.0003638900000000, -0.0003586400000000 ] - [ 0.0006593600000000, 0.0005726700000000, -0.0003749400000000 ] - [ 0.0006009100000000, 0.0006049500000000, -0.0003325200000000 ] - [ -0.0001894200000000, 0.0001017400000000, -0.0005518100000000 ] - [ -0.0002954000000000, 0.0000792000000000, -0.0007309700000000 ] - [ -0.0004464400000000, -0.0002624700000000, 0.0003890400000000 ] - [ -0.0003406300000000, -0.0001246300000000, 0.0002048600000000 ] - [ 0.0008560300000000, 0.0000891500000000, -0.0009637600000000 ] - [ 0.0000936900000000, 0.0002185400000000, 0.0014146500000000 ] - [ -0.0006681700000000, 0.0003522700000000, -0.0004989200000000 ] - [ 0.0000721900000000, 0.0000773900000000, -0.0006663400000000 ] - [ 0.0006896700000000, 0.0000391300000000, -0.0003642400000000 ] - [ 0.0007476700000000, -0.0002712300000000, -0.0004249400000000 ] - [ -0.0000499900000000, 0.0007383900000000, -0.0008656400000000 ] - [ 0.0002940000000000, 0.0011665000000000, 0.0044552300000000 ] - [ -0.0008801700000000, 0.0001102700000000, -0.0003840600000000 ] - [ -0.0001778900000000, 0.0001754800000000, -0.0006791200000000 ] - [ 0.0003300800000000, 0.0004826900000000, -0.0005036400000000 ] - [ -0.0001192700000000, -0.0001662300000000, -0.0006853700000000 ] - [ 0.0018433700000000, -0.0006662300000000, -0.0013350100000000 ] - [ 0.0007053200000000, -0.0008537900000000, -0.0018923200000000 ] - [ 0.0001122700000000, -0.0009041300000000, -0.0006648900000000 ] - [ 0.0005912900000000, -0.0004265700000000, -0.0001742700000000 ] - [ 0.0975263400000000, -0.0148980500000000, 0.0217270900000000 ] - [ 0.0014922500000000, 0.0002925800000000, -0.0005050400000000 ] - [ -0.0030903000000000, 0.0009264700000000, 0.0001623000000000 ] - [ -0.0014063600000000, 0.0003247000000000, -0.0005161300000000 ] - [ -0.0040035000000000, 0.0037432700000000, -0.0016833800000000 ] - [ -0.0004624900000000, 0.0004791900000000, -0.0006381900000000 ] - [ -0.0021767000000000, -0.0026552200000000, 0.0010446100000000 ] - [ -0.0002745100000000, -0.0006456300000000, -0.0005783500000000 ] - [ -0.0004035800000000, 0.0011036900000000, 0.0001855200000000 ] - [ -0.0004429300000000, 0.0004526600000000, 0.0001366500000000 ] - [ -0.0009319600000000, 0.0011707500000000, 0.0002166400000000 ] - [ -0.0007200700000000, 0.0000993300000000, 0.0003363800000000 ] - [ -0.1264670000000000, 0.0147583000000000, -0.0367176700000000 ] - [ -0.0006860600000000, 0.0000579200000000, 0.0006077900000000 ] - [ 0.0012688400000000, 0.0017394400000000, -0.0003749900000000 ] - [ 0.0000906200000000, 0.0002569800000000, 0.0004465100000000 ] - [ 0.0014277500000000, 0.0008410300000000, 0.0001110900000000 ] - [ 0.0004091300000000, 0.0007085900000000, 0.0002259500000000 ] - [ 0.0004411300000000, 0.0007961500000000, -0.0002766000000000 ] - [ 0.0004188900000000, 0.0006540700000000, -0.0002019500000000 ] - [ 0.0020224300000000, -0.0012990000000000, 0.0006316800000000 ] - [ 0.0002479200000000, -0.0001671600000000, 0.0004654200000000 ] - [ 0.0024018500000000, -0.0001462600000000, 0.0035272800000000 ] - [ 0.0004487200000000, -0.0007909200000000, -0.0007079700000000 ] - [ -0.0000327100000000, 0.0001500200000000, 0.0002278700000000 ] - [ 0.0001999600000000, 0.0007380600000000, 0.0004410900000000 ] - [ 0.0163126900000000, -0.0373365700000000, 0.0533479400000000 ] - [ -0.0006716100000000, 0.0001602700000000, -0.0003305000000000 ] - [ 0.0093582000000000, -0.0037367400000000, -0.0039828200000000 ] - [ 0.0002268700000000, 0.0001104000000000, 0.0006319000000000 ] - [ -0.0014346500000000, 0.0026045100000000, 0.0032771600000000 ] - [ -0.0004445200000000, -0.0000864600000000, -0.0024037600000000 ] - [ 0.0018446700000000, -0.0034092600000000, -0.0008725500000000 ] - [ -0.0000499200000000, -0.0003383200000000, 0.0001996400000000 ] - [ -0.0016939900000000, -0.0011693900000000, 0.0007674400000000 ] - [ -0.0011329900000000, -0.0002143400000000, 0.0006441000000000 ] - [ -0.0009712300000000, 0.0003304500000000, -0.0003222100000000 ] - [ -0.0002714800000000, 0.0006536500000000, 0.0002695100000000 ] - [ 0.0015482400000000, 0.0004611800000000, -0.0003952200000000 ] - [ 0.0010375800000000, 0.0003164400000000, 0.0004707400000000 ] - [ 0.0000475700000000, -0.0053676200000000, -0.0000984200000000 ] - [ 0.0004988400000000, -0.0008200900000000, 0.0003835300000000 ] - [ 0.0008664400000000, -0.0003187600000000, 0.0003706300000000 ] - [ 0.0009179900000000, -0.0000701800000000, 0.0004547300000000 ] - [ 0.0024395200000000, -0.0005027500000000, -0.0018590900000000 ] - [ 0.0010783000000000, -0.0002092500000000, 0.0001235700000000 ] - [ -0.0072868100000000, 0.0396726600000000, -0.0315149100000000 ] - [ -0.0005165100000000, -0.0005228500000000, 0.0004595400000000 ] - [ 0.0022331200000000, -0.0004809000000000, -0.0000352600000000 ] - [ 0.0011068400000000, -0.0002421700000000, 0.0002203800000000 ] - [ 0.0057254500000000, 0.0025515500000000, 0.0006654000000000 ] - [ 0.0004418600000000, -0.0004038500000000, 0.0003369600000000 ] - [ 0.0012622000000000, 0.0015927000000000, -0.0023950600000000 ] - [ -0.0001911900000000, 0.0002001700000000, 0.0005589800000000 ] - [ -0.0002688500000000, 0.0004414900000000, 0.0004946400000000 ] - [ -0.0003632000000000, 0.0006494100000000, 0.0000470700000000 ] - [ -0.0005528600000000, 0.0006485100000000, 0.0005845800000000 ] - [ -0.0005570000000000, 0.0011929000000000, 0.0014094100000000 ] - [ -0.0004787400000000, -0.0016672700000000, 0.0030941400000000 ] - [ -0.0011027300000000, 0.0002380600000000, -0.0012019800000000 ] - [ -0.0003748500000000, 0.0005098600000000, 0.0004039100000000 ] - [ -0.0005348100000000, 0.0006658300000000, 0.0003508700000000 ] - [ 0.0011465800000000, -0.0021231300000000, -0.0007262700000000 ] - [ 0.0000347300000000, -0.0012760100000000, 0.0010040600000000 ] - [ 0.0004755100000000, -0.0008486300000000, 0.0003031300000000 ] - [ -0.0005479600000000, -0.0003592600000000, 0.0003140900000000 ] - [ 0.0017034600000000, 0.0017066100000000, -0.0009123700000000 ] - [ 0.0004507700000000, 0.0001257500000000, 0.0001795800000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005091900000000, 0.0012940900000000, 0.0001831400000000 ] - [ 0.0002540000000000, 0.0004614300000000, 0.0003521200000000 ] - [ -0.0027955300000000, 0.0008077600000000, 0.0001916800000000 ] - [ -0.0007587200000000, 0.0001140700000000, 0.0003675800000000 ] - [ 0.0019488300000000, -0.0006215700000000, 0.0000512400000000 ] - [ 0.0004941500000000, -0.0005843600000000, 0.0003100500000000 ] - [ -0.0001634400000000, 0.0002637600000000, 0.0004977400000000 ] - [ -0.0003085400000000, -0.0000281200000000, -0.0000191600000000 ] - [ 0.0005099300000000, 0.0000926100000000, 0.0006445500000000 ] - [ 0.0002780800000000, 0.0003889500000000, -0.0001407500000000 ] - [ -0.0041322100000000, 0.0012118200000000, 0.0035822900000000 ] - [ -0.0003025600000000, 0.0006123800000000, 0.0026912100000000 ] - [ 0.0002013500000000, 0.0011781200000000, -0.0007082700000000 ] - [ 0.0012219200000000, 0.0029871900000000, 0.0012576600000000 ] - [ -0.0050980100000000, -0.0009309100000000, 0.0046752100000000 ] - [ -0.0004111900000000, 0.0001457600000000, -0.0005003500000000 ] - [ 0.0060525800000000, 0.0038946800000000, 0.0005645900000000 ] - [ 0.0001855700000000, 0.0001263600000000, 0.0003263600000000 ] - [ -0.0005814700000000, 0.0002498000000000, -0.0005858000000000 ] - [ -0.0002280100000000, -0.0000132100000000, -0.0002070400000000 ] - [ 0.0001662300000000, -0.0004893500000000, -0.0006062100000000 ] - [ 0.0001555000000000, -0.0002222700000000, -0.0006193400000000 ] - [ -0.0002610900000000, 0.0007784000000000, 0.0006086600000000 ] - [ -0.0000476700000000, -0.0000459600000000, 0.0004403500000000 ] - [ -0.0006473000000000, 0.0014304800000000, -0.0001855400000000 ] - [ -0.0003447200000000, 0.0007105900000000, 0.0002121800000000 ] - [ 0.0011477700000000, -0.0003160000000000, 0.0006216000000000 ] - [ -0.0000220600000000, 0.0000977800000000, 0.0004214700000000 ] - [ 0.0023229400000000, -0.0006960600000000, -0.0001999300000000 ] - [ 0.0012143100000000, -0.0004047800000000, 0.0001853500000000 ] - [ 0.0018649300000000, 0.0007279200000000, -0.0016848000000000 ] - [ 0.0000400400000000, 0.0003824600000000, 0.0005959400000000 ] - [ 0.0002728600000000, 0.0001679400000000, 0.0001230800000000 ] - [ 0.0002829900000000, -0.0001467600000000, 0.0005534200000000 ] - [ 0.0002094700000000, 0.0006520700000000, -0.0003361800000000 ] - [ 0.0000361500000000, 0.0007436300000000, -0.0002772900000000 ] - [ -0.0004911600000000, -0.0072249500000000, -0.0011956100000000 ] - [ -0.0003478900000000, 0.0002707200000000, -0.0006613800000000 ] - [ -0.0015693400000000, -0.0016015400000000, 0.0001643300000000 ] - [ -0.0010257700000000, -0.0007230200000000, 0.0001704100000000 ] - [ 0.0000416700000000, -0.0009995600000000, -0.0004031700000000 ] - [ 0.0003767600000000, -0.0011048300000000, -0.0000937500000000 ] - [ -0.0000692100000000, -0.0000284300000000, 0.0017136900000000 ] - [ -0.0004182200000000, -0.0003342400000000, -0.0016982200000000 ] - [ -0.0004065900000000, -0.0013047400000000, -0.0007228500000000 ] - [ -0.0008845800000000, -0.0006157700000000, -0.0003605400000000 ] - [ 0.0007103500000000, 0.0004048400000000, -0.0003452300000000 ] - [ 0.0007686800000000, 0.0003727600000000, -0.0003883500000000 ] - [ -0.0005750700000000, -0.0001317900000000, -0.0007075700000000 ] - [ -0.0004670600000000, -0.0001099100000000, -0.0005251100000000 ] - [ -0.0001788800000000, 0.0000235800000000, 0.0001750900000000 ] - [ -0.0002842600000000, -0.0001145300000000, 0.0003674100000000 ] - [ -0.0002395400000000, 0.0001490700000000, 0.0015483900000000 ] - [ 0.0005295800000000, 0.0000191700000000, -0.0008565700000000 ] - [ 0.0014400600000000, -0.0003259900000000, -0.0007598800000000 ] - [ 0.0006954500000000, -0.0000485000000000, -0.0005903800000000 ] - [ 0.0008440200000000, -0.0007389300000000, -0.0003579700000000 ] - [ 0.0007850100000000, -0.0004261000000000, -0.0002941100000000 ] - [ -0.0004670800000000, -0.0003121700000000, 0.0014385900000000 ] - [ -0.0008116000000000, -0.0007567200000000, -0.0037945500000000 ] - [ 0.0012444000000000, 0.0005707700000000, -0.0008744000000000 ] - [ 0.0005411200000000, 0.0005036600000000, -0.0005775700000000 ] - [ -0.0006926200000000, -0.0011660900000000, -0.0007547500000000 ] - [ -0.0002386100000000, -0.0005122100000000, -0.0005707800000000 ] - [ -0.0018455200000000, 0.0012511900000000, 0.0003249700000000 ] - [ -0.0006753600000000, 0.0014529800000000, 0.0008924500000000 ] - [ 0.0003838200000000, 0.0005780100000000, -0.0003459200000000 ] - [ -0.0000902400000000, 0.0000930100000000, -0.0008309100000000 ] - [ -0.0981931600000000, 0.0152573000000000, -0.0238104800000000 ] - [ -0.0015205200000000, -0.0008874400000000, -0.0004953400000000 ] - [ 0.0025745100000000, -0.0012002400000000, -0.0011712600000000 ] - [ 0.0008967800000000, -0.0005961400000000, -0.0004984900000000 ] - [ 0.0045213100000000, -0.0034944500000000, 0.0006752200000000 ] - [ 0.0009885400000000, -0.0002071700000000, -0.0003670900000000 ] - [ 0.0016723800000000, 0.0029969700000000, -0.0020545300000000 ] - [ -0.0002333500000000, 0.0009741200000000, -0.0004199400000000 ] - [ 0.0000370900000000, -0.0005697600000000, 0.0000558700000000 ] - [ 0.0000731000000000, 0.0000932100000000, 0.0000925600000000 ] - [ -0.0003763900000000, -0.0015760500000000, 0.0001153300000000 ] - [ -0.0005904500000000, -0.0005009000000000, -0.0000174500000000 ] - [ 0.1276487800000000, -0.0144398300000000, 0.0381282300000000 ] - [ 0.0005164800000000, 0.0004330000000000, 0.0001508900000000 ] - [ -0.0007382700000000, -0.0018569500000000, 0.0011564900000000 ] - [ 0.0004311300000000, -0.0003596200000000, 0.0003101700000000 ] - [ -0.0011337600000000, 0.0005068100000000, 0.0002165500000000 ] - [ -0.0001077700000000, 0.0006371500000000, 0.0000930200000000 ] - [ 0.0000565900000000, -0.0002630900000000, -0.0002066100000000 ] - [ 0.0000767500000000, -0.0001148900000000, -0.0002857900000000 ] - [ -0.0023605800000000, 0.0009254200000000, 0.0001447500000000 ] - [ -0.0005795300000000, -0.0002253400000000, 0.0002961000000000 ] - [ -0.0027291400000000, -0.0012080900000000, -0.0032634700000000 ] - [ -0.0007443800000000, -0.0005540000000000, 0.0010363100000000 ] - [ 0.0005202100000000, 0.0017046800000000, 0.0004441600000000 ] - [ 0.0002845700000000, 0.0011122300000000, 0.0002255700000000 ] - [ -0.0160927600000000, 0.0375642600000000, -0.0524627100000000 ] - [ 0.0009546400000000, 0.0004295800000000, 0.0005562700000000 ] - [ -0.0097142700000000, 0.0044900200000000, 0.0035890900000000 ] - [ -0.0004381800000000, 0.0005840300000000, -0.0011280500000000 ] - [ 0.0027658600000000, -0.0022316300000000, -0.0029616300000000 ] - [ 0.0017607500000000, 0.0004998000000000, 0.0026646500000000 ] - [ -0.0025014900000000, 0.0033910400000000, 0.0011130300000000 ] - [ -0.0005937500000000, 0.0002880700000000, 0.0000280500000000 ] - [ 0.0014274000000000, 0.0006094000000000, -0.0005488900000000 ] - [ 0.0008545600000000, -0.0003773200000000, -0.0004154600000000 ] - [ 0.0002896300000000, -0.0001573500000000, -0.0001569800000000 ] - [ -0.0004309700000000, -0.0004917000000000, -0.0007614800000000 ] - [ -0.0012180600000000, -0.0000697300000000, 0.0011589700000000 ] - [ -0.0007098500000000, 0.0000729700000000, 0.0003001000000000 ] - [ 0.0013003200000000, 0.0040376200000000, 0.0007571600000000 ] - [ 0.0008576800000000, -0.0005254700000000, 0.0002839700000000 ] - [ 0.0009685800000000, 0.0008077400000000, 0.0002920500000000 ] - [ 0.0009163000000000, 0.0005582500000000, 0.0002041900000000 ] - [ -0.0022289500000000, -0.0001884700000000, 0.0013772000000000 ] - [ -0.0008767700000000, -0.0004878700000000, -0.0006134600000000 ] - [ 0.0082943300000000, -0.0399146700000000, 0.0310130900000000 ] - [ 0.0012179900000000, 0.0003556700000000, -0.0009543200000000 ] - [ -0.0015979300000000, 0.0005331900000000, 0.0002684000000000 ] - [ -0.0004648700000000, 0.0002918400000000, 0.0000098000000000 ] - [ -0.0047206400000000, -0.0035201000000000, -0.0002955800000000 ] - [ 0.0005654600000000, -0.0005281400000000, -0.0000176000000000 ] - [ -0.0017606600000000, -0.0021461600000000, 0.0019394300000000 ] - [ -0.0003015500000000, -0.0007369100000000, -0.0010606900000000 ] - [ -0.0002384600000000, -0.0003417400000000, 0.0002718900000000 ] - [ -0.0001468200000000, -0.0005420300000000, 0.0007158700000000 ] - [ 0.0007337000000000, -0.0011339000000000, 0.0001791800000000 ] - [ 0.0007295700000000, -0.0016974700000000, -0.0006500300000000 ] - [ -0.0005429700000000, 0.0026226300000000, -0.0027969900000000 ] - [ 0.0001034300000000, 0.0006880500000000, 0.0015334300000000 ] - [ -0.0009817700000000, 0.0008405700000000, 0.0002661800000000 ] - [ -0.0008206100000000, 0.0006787100000000, 0.0003166100000000 ] - [ -0.0016317300000000, 0.0002681800000000, 0.0014012900000000 ] - [ -0.0005220600000000, -0.0005715900000000, -0.0003401900000000 ] - [ -0.0023200700000000, 0.0003668900000000, 0.0003602600000000 ] - [ -0.0012886300000000, -0.0001262800000000, 0.0003455600000000 ] - [ -0.0013400200000000, -0.0022489300000000, 0.0011480200000000 ] - [ -0.0000774700000000, -0.0006584100000000, 0.0000470200000000 ]- atom: 81 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ -0.0003379300000000, -0.0020908600000000, -0.0005566500000000 ] - [ 0.0002586300000000, 0.0001519200000000, 0.0005799500000000 ] - [ -0.0016148300000000, 0.0014923900000000, 0.0000504000000000 ] - [ -0.0005206200000000, 0.0002435900000000, 0.0009029100000000 ] - [ 0.0011686300000000, -0.0000983600000000, -0.0001561800000000 ] - [ 0.0002824800000000, -0.0004114400000000, 0.0004734100000000 ] - [ -0.0006329100000000, -0.0006605100000000, 0.0002435500000000 ] - [ -0.0007759500000000, -0.0006345700000000, 0.0003063400000000 ] - [ 0.0006846100000000, 0.0000625300000000, 0.0006142600000000 ] - [ 0.0003347700000000, 0.0003604300000000, -0.0002285100000000 ] - [ -0.0039739400000000, 0.0030761500000000, 0.0050924700000000 ] - [ 0.0004046100000000, 0.0018323800000000, 0.0032730900000000 ] - [ -0.0017904000000000, 0.0001953200000000, 0.0007030900000000 ] - [ -0.0011069800000000, 0.0012631700000000, -0.0007569100000000 ] - [ 0.0014350000000000, 0.0147542400000000, -0.0020219800000000 ] - [ -0.0017380100000000, 0.0023232600000000, 0.0017173800000000 ] - [ 0.0066814400000000, 0.0085934800000000, -0.0021558500000000 ] - [ 0.0003829100000000, 0.0004668400000000, 0.0004403400000000 ] - [ -0.0005774200000000, 0.0002629300000000, -0.0004883400000000 ] - [ -0.0000612000000000, -0.0000382800000000, -0.0001555400000000 ] - [ 0.0004384700000000, -0.0020573400000000, -0.0007254700000000 ] - [ 0.0002162700000000, -0.0006077100000000, -0.0006689900000000 ] - [ 0.0001177200000000, -0.0012583400000000, 0.0001056000000000 ] - [ -0.0000061900000000, -0.0006496600000000, 0.0003954700000000 ] - [ -0.0003166700000000, 0.0003698100000000, -0.0003492400000000 ] - [ 0.0002753300000000, -0.0017074800000000, 0.0007829900000000 ] - [ 0.0012369400000000, -0.0003760900000000, 0.0005858700000000 ] - [ -0.0000211800000000, 0.0000596500000000, 0.0004427000000000 ] - [ 0.0010553500000000, -0.0002799500000000, 0.0001576700000000 ] - [ 0.0005062600000000, -0.0001784800000000, 0.0003796500000000 ] - [ -0.0002746200000000, 0.0007716000000000, -0.0010588900000000 ] - [ -0.0000014600000000, 0.0004087700000000, 0.0007946500000000 ] - [ -0.0002336700000000, -0.0006791600000000, -0.0002903400000000 ] - [ 0.0002211000000000, -0.0001707700000000, 0.0004572300000000 ] - [ 0.0001391200000000, 0.0005596600000000, -0.0005190000000000 ] - [ 0.0000665900000000, 0.0006942300000000, -0.0002366100000000 ] - [ 0.0006655100000000, -0.0068053800000000, -0.0007526600000000 ] - [ -0.0002621600000000, 0.0003468300000000, -0.0006115100000000 ] - [ 0.0004067100000000, -0.0017407900000000, 0.0019361900000000 ] - [ -0.0004472900000000, -0.0002628400000000, 0.0001916700000000 ] - [ 0.0001475600000000, -0.0010545800000000, -0.0003896500000000 ] - [ 0.0004770200000000, -0.0013465400000000, -0.0000104100000000 ] - [ -0.0002040500000000, 0.0001096600000000, 0.0026273800000000 ] - [ -0.0003102600000000, 0.0002493800000000, -0.0023863600000000 ] - [ -0.0001164400000000, -0.0012438100000000, -0.0010692300000000 ] - [ -0.0008170600000000, -0.0006449500000000, -0.0002882100000000 ] - [ 0.0008435300000000, 0.0002013000000000, -0.0002054800000000 ] - [ 0.0007354000000000, 0.0001819200000000, -0.0003967300000000 ] - [ -0.0001602500000000, -0.0003549500000000, -0.0007832300000000 ] - [ -0.0000614700000000, -0.0003487000000000, -0.0004214600000000 ] - [ -0.0003131100000000, -0.0001565100000000, 0.0001699100000000 ] - [ -0.0002698100000000, -0.0002061400000000, 0.0007439400000000 ] - [ 0.0000879000000000, 0.0002757800000000, 0.0010013500000000 ] - [ 0.0000469600000000, 0.0002866200000000, -0.0001020300000000 ] - [ 0.0008829300000000, -0.0003343900000000, -0.0007181400000000 ] - [ 0.0004846800000000, -0.0000706600000000, -0.0005650600000000 ] - [ 0.0010859400000000, -0.0009030500000000, -0.0004158800000000 ] - [ 0.0008778600000000, -0.0004638400000000, -0.0002072100000000 ] - [ 0.0000162300000000, 0.0006538000000000, 0.0004634600000000 ] - [ -0.0010456500000000, -0.0008408800000000, 0.0085733900000000 ] - [ 0.0011061200000000, 0.0008009800000000, -0.0008743300000000 ] - [ 0.0006966100000000, 0.0006629300000000, -0.0005857000000000 ] - [ -0.0003100800000000, -0.0011397400000000, -0.0008024100000000 ] - [ -0.0000130400000000, -0.0004456000000000, -0.0004906500000000 ] - [ -0.0060797000000000, -0.0001488300000000, 0.0025644900000000 ] - [ -0.0001179200000000, -0.0006265300000000, -0.0009824500000000 ] - [ -0.0004661200000000, -0.0012512100000000, -0.0010106400000000 ] - [ -0.0002129100000000, -0.0018045400000000, -0.0006742800000000 ] - [ -0.0669823000000000, 0.1982528100000000, -0.1372673600000000 ] - [ 0.0002039600000000, -0.0004796400000000, 0.0002571900000000 ] - [ 0.0001031100000000, 0.0002800600000000, -0.0008912700000000 ] - [ 0.0006089100000000, 0.0001132500000000, -0.0009211400000000 ] - [ 0.0062659100000000, -0.0039172200000000, 0.0023110300000000 ] - [ 0.0012832000000000, 0.0001815200000000, 0.0001343800000000 ] - [ -0.0011625900000000, 0.0005181500000000, -0.0001525100000000 ] - [ -0.0009214800000000, 0.0003758100000000, 0.0002044900000000 ] - [ 0.0001439800000000, 0.0009788300000000, 0.0009374000000000 ] - [ 0.0000203700000000, 0.0018784200000000, -0.0000555800000000 ] - [ 0.0004105000000000, 0.0006689700000000, 0.0011937500000000 ] - [ -0.0004884100000000, 0.0000322500000000, -0.0002327700000000 ] - [ 0.0758877900000000, -0.2555737400000000, 0.2121380500000000 ] - [ 0.0000529100000000, -0.0001603500000000, -0.0004856800000000 ] - [ 0.0016750200000000, -0.0007110300000000, 0.0010468400000000 ] - [ 0.0008948100000000, -0.0001499600000000, -0.0002825500000000 ] - [ -0.0008659500000000, 0.0010573000000000, 0.0002652600000000 ] - [ 0.0001028200000000, 0.0008803200000000, -0.0003550800000000 ] - [ 0.0003947300000000, 0.0008490900000000, -0.0001594000000000 ] - [ 0.0001878700000000, 0.0012885200000000, -0.0004029500000000 ] - [ -0.0025852100000000, -0.0004353100000000, -0.0010180400000000 ] - [ -0.0006322900000000, -0.0006622000000000, -0.0000862400000000 ] - [ -0.0010248300000000, -0.0010992100000000, -0.0012179500000000 ] - [ 0.0000673600000000, -0.0009089500000000, 0.0002672600000000 ] - [ -0.0001020300000000, 0.0024152500000000, 0.0007146900000000 ] - [ -0.0000651500000000, 0.0012825200000000, -0.0000660800000000 ] - [ -0.0300527900000000, 0.0168193000000000, -0.0534216800000000 ] - [ -0.0000000600000000, 0.0001122000000000, -0.0001971900000000 ] - [ -0.0136795600000000, 0.0024545200000000, 0.0043109500000000 ] - [ -0.0006814600000000, 0.0002105800000000, -0.0019072800000000 ] - [ 0.0026993000000000, -0.0004759600000000, 0.0020259300000000 ] - [ 0.0020820000000000, 0.0012848900000000, -0.0068023700000000 ] - [ -0.0029384600000000, 0.0036039200000000, 0.0008203000000000 ] - [ -0.0006157100000000, 0.0000443600000000, -0.0002943700000000 ] - [ 0.0022571400000000, 0.0036396800000000, -0.0044338600000000 ] - [ 0.0000103100000000, -0.0000570200000000, 0.0001865100000000 ] - [ 0.0021439600000000, 0.0009292700000000, -0.0002292700000000 ] - [ 0.0001860800000000, 0.0006625900000000, -0.0003168800000000 ] - [ -0.0001422700000000, -0.0001068800000000, 0.0005271300000000 ] - [ -0.0003643200000000, -0.0001277100000000, 0.0007735300000000 ] - [ -0.0000300300000000, 0.0041263500000000, 0.0005882100000000 ] - [ 0.0006660300000000, -0.0004615500000000, 0.0002104700000000 ] - [ 0.0004947900000000, 0.0010772000000000, 0.0003373400000000 ] - [ 0.0005463300000000, 0.0008127100000000, 0.0001077700000000 ] - [ 0.0001806500000000, -0.0007530700000000, 0.0006041600000000 ] - [ -0.0005948500000000, -0.0008778900000000, -0.0005486900000000 ] - [ 0.0345302900000000, 0.0192385500000000, -0.0331747400000000 ] - [ 0.0004430400000000, -0.0001872800000000, -0.0006151000000000 ] - [ -0.0003354800000000, -0.0005012500000000, 0.0004293900000000 ] - [ -0.0000551700000000, -0.0003335300000000, 0.0000976200000000 ] - [ -0.0025361900000000, -0.0058785800000000, 0.0020322000000000 ] - [ 0.0005572400000000, -0.0008396700000000, -0.0003922300000000 ] - [ -0.0000213600000000, -0.0011995800000000, 0.0010661600000000 ] - [ -0.0000524600000000, -0.0005140300000000, -0.0009149600000000 ] - [ 0.0002895000000000, 0.0003617200000000, 0.0004959800000000 ] - [ 0.0001577700000000, 0.0008754000000000, 0.0003298300000000 ] - [ 0.0016611400000000, -0.0005601400000000, -0.0012944700000000 ] - [ 0.0011811300000000, -0.0008319600000000, 0.0021786200000000 ] - [ -0.0034962700000000, 0.0009386800000000, -0.0042599500000000 ] - [ -0.0001334400000000, -0.0002985700000000, 0.0018454800000000 ] - [ -0.0009370100000000, 0.0019985500000000, 0.0003995400000000 ] - [ -0.0008199700000000, 0.0010604200000000, 0.0003068900000000 ] - [ -0.0015671000000000, -0.0004882000000000, 0.0014732900000000 ] - [ -0.0008713300000000, -0.0006337000000000, -0.0004847000000000 ] - [ -0.0020325800000000, 0.0003369800000000, 0.0004499900000000 ] - [ -0.0011383300000000, -0.0001388600000000, 0.0002352100000000 ] - [ -0.0001200000000000, 0.0000583900000000, 0.0001896400000000 ] - [ 0.0003806300000000, 0.0000456400000000, -0.0002687000000000 ]- atom: 81 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0011412800000000, 0.0027647700000000, 0.0009894200000000 ] - [ 0.0005459900000000, 0.0005343900000000, -0.0001477900000000 ] - [ 0.0006020100000000, -0.0007712900000000, 0.0005650300000000 ] - [ -0.0004673300000000, 0.0001003600000000, -0.0004723300000000 ] - [ -0.0009748200000000, -0.0009732700000000, 0.0006033300000000 ] - [ -0.0000903900000000, -0.0006610200000000, -0.0000293500000000 ] - [ -0.0001723500000000, -0.0000268700000000, 0.0001887800000000 ] - [ -0.0000289500000000, -0.0000518300000000, 0.0001280200000000 ] - [ -0.0008750400000000, 0.0010078500000000, -0.0001671100000000 ] - [ -0.0005245200000000, 0.0007112900000000, 0.0006717400000000 ] - [ 0.0049870300000000, -0.0033884800000000, -0.0047650500000000 ] - [ 0.0005870900000000, -0.0021742100000000, -0.0028480600000000 ] - [ 0.0017919600000000, -0.0001954200000000, -0.0013419900000000 ] - [ 0.0011087200000000, -0.0012657700000000, 0.0001290900000000 ] - [ -0.0015170500000000, -0.0147227000000000, 0.0013607300000000 ] - [ 0.0017371800000000, -0.0023151700000000, -0.0023568800000000 ] - [ -0.0060264800000000, -0.0082276500000000, 0.0028735700000000 ] - [ 0.0002736300000000, -0.0000675100000000, 0.0002511400000000 ] - [ -0.0009535400000000, 0.0004336000000000, -0.0002322300000000 ] - [ -0.0014716300000000, 0.0007366100000000, -0.0005644300000000 ] - [ -0.0000316500000000, 0.0014055300000000, -0.0005318600000000 ] - [ 0.0001905500000000, -0.0000433600000000, -0.0005888500000000 ] - [ -0.0001001000000000, 0.0004883900000000, 0.0005871200000000 ] - [ 0.0000243800000000, -0.0001185900000000, 0.0002968400000000 ] - [ 0.0003028900000000, 0.0003900500000000, 0.0010437000000000 ] - [ -0.0002914400000000, 0.0024729400000000, -0.0000881400000000 ] - [ -0.0019022300000000, 0.0007427800000000, 0.0001075500000000 ] - [ -0.0006508300000000, 0.0003084200000000, 0.0002490000000000 ] - [ -0.0003837600000000, -0.0000875100000000, 0.0005355300000000 ] - [ 0.0001657400000000, -0.0001894900000000, 0.0003123200000000 ] - [ 0.0003942800000000, -0.0001098400000000, 0.0016231800000000 ] - [ 0.0001109500000000, 0.0002525100000000, -0.0002292500000000 ] - [ 0.0007529400000000, 0.0002537300000000, 0.0008574800000000 ] - [ 0.0002987800000000, -0.0002554600000000, 0.0001077200000000 ] - [ -0.0003020600000000, 0.0011141200000000, -0.0002006900000000 ] - [ -0.0002295800000000, 0.0009801800000000, -0.0004841300000000 ] - [ -0.0010628900000000, 0.0074753100000000, -0.0004987900000000 ] - [ -0.0001431400000000, 0.0003026400000000, -0.0006468300000000 ] - [ -0.0010655400000000, 0.0013391800000000, -0.0012442500000000 ] - [ -0.0002082900000000, -0.0001373800000000, 0.0004995100000000 ] - [ 0.0000163200000000, -0.0006199900000000, -0.0003307900000000 ] - [ -0.0003129600000000, -0.0003273800000000, -0.0007078700000000 ] - [ 0.0000925500000000, -0.0007700800000000, -0.0020617000000000 ] - [ 0.0002020800000000, -0.0009114900000000, 0.0029475500000000 ] - [ -0.0012505800000000, 0.0002653100000000, 0.0003505000000000 ] - [ -0.0005493500000000, -0.0003340900000000, -0.0004321200000000 ] - [ 0.0005250600000000, 0.0007773400000000, -0.0005148900000000 ] - [ 0.0006326600000000, 0.0007966400000000, -0.0003238300000000 ] - [ -0.0006031000000000, 0.0003251300000000, -0.0004745100000000 ] - [ -0.0007032100000000, 0.0003202200000000, -0.0008363100000000 ] - [ -0.0003119800000000, -0.0000820400000000, 0.0004003000000000 ] - [ -0.0003560000000000, -0.0000321200000000, -0.0001759200000000 ] - [ 0.0005407800000000, -0.0000365500000000, -0.0004379900000000 ] - [ 0.0005803600000000, -0.0000467100000000, 0.0006738300000000 ] - [ -0.0001189400000000, 0.0003632200000000, -0.0005394700000000 ] - [ 0.0002816300000000, 0.0000987100000000, -0.0006929100000000 ] - [ 0.0004464500000000, 0.0002049600000000, -0.0003032000000000 ] - [ 0.0006543700000000, -0.0002328900000000, -0.0005132200000000 ] - [ -0.0005357100000000, -0.0002260000000000, 0.0000934600000000 ] - [ 0.0005091900000000, 0.0012841800000000, -0.0080103800000000 ] - [ -0.0007458500000000, -0.0001239800000000, -0.0003823900000000 ] - [ -0.0003379200000000, 0.0000142200000000, -0.0006722500000000 ] - [ -0.0000499100000000, 0.0004602300000000, -0.0004552500000000 ] - [ -0.0003461000000000, -0.0002320300000000, -0.0007666000000000 ] - [ 0.0061030400000000, 0.0007417600000000, -0.0035792200000000 ] - [ 0.0001485500000000, 0.0012105000000000, -0.0000356600000000 ] - [ 0.0009647600000000, 0.0009245900000000, 0.0000014700000000 ] - [ 0.0007174100000000, 0.0014818400000000, -0.0003289100000000 ] - [ 0.0675837200000000, -0.2064027700000000, 0.1467531400000000 ] - [ -0.0002356100000000, -0.0001021000000000, -0.0012746700000000 ] - [ -0.0006142000000000, -0.0005543600000000, -0.0001216500000000 ] - [ -0.0011323000000000, -0.0003850100000000, -0.0000878600000000 ] - [ -0.0057331000000000, 0.0041792600000000, -0.0032946500000000 ] - [ -0.0007641500000000, 0.0000901700000000, -0.0011458000000000 ] - [ 0.0006514300000000, -0.0001993700000000, -0.0008436500000000 ] - [ 0.0004204700000000, -0.0000580200000000, -0.0012121100000000 ] - [ -0.0005151200000000, -0.0004374900000000, -0.0007022900000000 ] - [ -0.0003925700000000, -0.0013443100000000, 0.0002876800000000 ] - [ -0.0017189400000000, -0.0010670800000000, -0.0008715200000000 ] - [ -0.0008220200000000, -0.0004311300000000, 0.0005580600000000 ] - [ -0.0764525700000000, 0.2629997000000000, -0.2233222000000000 ] - [ -0.0002232900000000, 0.0006478000000000, 0.0012584900000000 ] - [ -0.0011466600000000, 0.0006120000000000, -0.0002850900000000 ] - [ -0.0003796300000000, 0.0000499700000000, 0.0010465000000000 ] - [ 0.0011637700000000, 0.0002874300000000, 0.0000551800000000 ] - [ 0.0001996400000000, 0.0004628500000000, 0.0006785500000000 ] - [ 0.0001021700000000, -0.0003182200000000, -0.0003254100000000 ] - [ 0.0003077900000000, -0.0007584400000000, -0.0000819400000000 ] - [ 0.0022430600000000, 0.0000354800000000, 0.0017657300000000 ] - [ 0.0003009100000000, 0.0002707200000000, 0.0008517300000000 ] - [ 0.0007271500000000, -0.0002425400000000, 0.0015518400000000 ] - [ -0.0003683200000000, -0.0004355900000000, 0.0000537100000000 ] - [ 0.0005862800000000, -0.0005637900000000, -0.0000446200000000 ] - [ 0.0005503300000000, 0.0005645400000000, 0.0007357400000000 ] - [ 0.0307317100000000, -0.0163097900000000, 0.0547348500000000 ] - [ 0.0002861900000000, 0.0004779900000000, 0.0004347000000000 ] - [ 0.0133163400000000, -0.0017435400000000, -0.0047206700000000 ] - [ 0.0004760000000000, 0.0004826300000000, 0.0014227800000000 ] - [ -0.0013940700000000, 0.0008828700000000, -0.0017017400000000 ] - [ -0.0007671300000000, -0.0008947400000000, 0.0071334400000000 ] - [ 0.0022826300000000, -0.0036335900000000, -0.0005898700000000 ] - [ -0.0000283700000000, -0.0000947400000000, 0.0005265200000000 ] - [ -0.0025402800000000, -0.0041988900000000, 0.0046453900000000 ] - [ -0.0002946100000000, -0.0005318900000000, 0.0000504500000000 ] - [ -0.0028374900000000, -0.0007602700000000, -0.0002540800000000 ] - [ -0.0008797800000000, -0.0004905000000000, -0.0001661600000000 ] - [ 0.0004717500000000, 0.0004974900000000, 0.0002403300000000 ] - [ 0.0006967900000000, 0.0005195100000000, -0.0000120000000000 ] - [ 0.0013757000000000, -0.0054797700000000, 0.0000740000000000 ] - [ 0.0006877500000000, -0.0008825900000000, 0.0004601700000000 ] - [ 0.0013381900000000, -0.0005908200000000, 0.0003230500000000 ] - [ 0.0012871800000000, -0.0003282200000000, 0.0005537900000000 ] - [ 0.0000184000000000, 0.0000588400000000, -0.0010868800000000 ] - [ 0.0008051600000000, 0.0001855000000000, 0.0000645000000000 ] - [ -0.0342470700000000, -0.0192044100000000, 0.0329649500000000 ] - [ 0.0002524800000000, 0.0000146800000000, 0.0001363800000000 ] - [ 0.0009800400000000, 0.0005529000000000, -0.0001983400000000 ] - [ 0.0007028200000000, 0.0003845200000000, 0.0001344500000000 ] - [ 0.0035265200000000, 0.0049592900000000, -0.0017243300000000 ] - [ 0.0004470700000000, -0.0000922900000000, 0.0007182100000000 ] - [ -0.0004716600000000, 0.0006704700000000, -0.0015611100000000 ] - [ -0.0004444000000000, -0.0000136100000000, 0.0004325200000000 ] - [ -0.0008020100000000, -0.0002594900000000, 0.0002690200000000 ] - [ -0.0006718600000000, -0.0007723000000000, 0.0004302300000000 ] - [ -0.0014854500000000, 0.0000673900000000, 0.0020602500000000 ] - [ -0.0010060300000000, 0.0003498700000000, -0.0014081100000000 ] - [ 0.0024668600000000, -0.0000037200000000, 0.0045542100000000 ] - [ -0.0008706500000000, 0.0012308000000000, -0.0015157800000000 ] - [ -0.0004162700000000, -0.0006524100000000, 0.0002690100000000 ] - [ -0.0005332100000000, 0.0002842300000000, 0.0003620800000000 ] - [ 0.0010836800000000, -0.0013589600000000, -0.0008069600000000 ] - [ 0.0003885200000000, -0.0012158100000000, 0.0011565500000000 ] - [ 0.0002015600000000, -0.0008220700000000, 0.0002109000000000 ] - [ -0.0006950500000000, -0.0003449700000000, 0.0004274800000000 ] - [ 0.0004968300000000, -0.0005867700000000, 0.0000371200000000 ] - [ -0.0000084000000000, -0.0005778200000000, 0.0005013500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0012068000000000, 0.0032050800000000, 0.0016689500000000 ] - [ 0.0004896300000000, 0.0001103400000000, -0.0006295700000000 ] - [ -0.0004314500000000, 0.0031168800000000, 0.0039733300000000 ] - [ -0.0005708900000000, 0.0004377700000000, -0.0008792100000000 ] - [ -0.0005153200000000, -0.0006739800000000, 0.0008495000000000 ] - [ 0.0000132800000000, -0.0006426200000000, -0.0002886700000000 ] - [ -0.0005251700000000, -0.0002397300000000, 0.0004715500000000 ] - [ -0.0001322600000000, -0.0002981800000000, -0.0000858400000000 ] - [ -0.0007014700000000, 0.0009103200000000, 0.0003967200000000 ] - [ -0.0002095300000000, 0.0007122700000000, 0.0000403500000000 ] - [ -0.0021367100000000, 0.0016620200000000, 0.0071342100000000 ] - [ 0.0005021500000000, -0.0014939000000000, -0.0033251900000000 ] - [ 0.0017571000000000, 0.0005498200000000, -0.0018872000000000 ] - [ -0.0001999900000000, -0.0010089000000000, -0.0000929900000000 ] - [ -0.0071004500000000, -0.0061510200000000, 0.0140313500000000 ] - [ 0.0007181500000000, -0.0011428300000000, -0.0038349200000000 ] - [ -0.0067849200000000, -0.0070451800000000, 0.0043276500000000 ] - [ 0.0008176200000000, 0.0004583100000000, -0.0000880600000000 ] - [ -0.0006982800000000, 0.0002969800000000, -0.0004398200000000 ] - [ -0.0015671800000000, 0.0006407400000000, -0.0007131000000000 ] - [ -0.0000301200000000, 0.0010755200000000, -0.0003856400000000 ] - [ 0.0002120100000000, -0.0004369600000000, -0.0007331000000000 ] - [ 0.0000035900000000, 0.0000263300000000, 0.0005048900000000 ] - [ 0.0000113600000000, -0.0002966800000000, 0.0002352100000000 ] - [ 0.0010302500000000, -0.0028616400000000, 0.0022068100000000 ] - [ -0.0001369100000000, 0.0018135600000000, -0.0003468100000000 ] - [ -0.0005920600000000, 0.0004538300000000, 0.0004091500000000 ] - [ -0.0006110000000000, 0.0002973500000000, 0.0002065500000000 ] - [ -0.0000058400000000, -0.0001438000000000, 0.0005255800000000 ] - [ 0.0001962200000000, -0.0001816200000000, 0.0002619500000000 ] - [ 0.0009319800000000, 0.0005843800000000, 0.0028456900000000 ] - [ 0.0001801900000000, 0.0003023500000000, -0.0007924800000000 ] - [ 0.0005495400000000, 0.0001632600000000, 0.0017358300000000 ] - [ 0.0002184000000000, -0.0003488700000000, -0.0006476100000000 ] - [ -0.0001089800000000, 0.0008684900000000, 0.0000373700000000 ] - [ -0.0001993600000000, 0.0008983900000000, -0.0006103700000000 ] - [ -0.0011824100000000, 0.0093480000000000, -0.0010992200000000 ] - [ 0.0000366400000000, -0.0000699500000000, -0.0009268800000000 ] - [ -0.0008325500000000, 0.0022592800000000, -0.0003419200000000 ] - [ -0.0002538300000000, -0.0002310200000000, 0.0001881500000000 ] - [ 0.0001246300000000, -0.0008827800000000, -0.0003537000000000 ] - [ -0.0001946800000000, -0.0007757500000000, -0.0010536800000000 ] - [ -0.0001035400000000, -0.0004741200000000, -0.0021980200000000 ] - [ 0.0003738100000000, -0.0008205300000000, 0.0007203800000000 ] - [ -0.0011057600000000, -0.0003827500000000, 0.0009382800000000 ] - [ -0.0004805100000000, -0.0004218800000000, -0.0006236600000000 ] - [ 0.0005747300000000, 0.0006715200000000, -0.0004472100000000 ] - [ 0.0005193100000000, 0.0006628000000000, -0.0004831700000000 ] - [ -0.0001441100000000, -0.0000703900000000, -0.0002924800000000 ] - [ -0.0005945700000000, 0.0002500400000000, -0.0009420200000000 ] - [ -0.0002360500000000, -0.0001922300000000, 0.0012142100000000 ] - [ -0.0003922500000000, 0.0000157200000000, -0.0005887500000000 ] - [ 0.0001593300000000, -0.0000029100000000, -0.0003962000000000 ] - [ 0.0006600900000000, 0.0001258100000000, 0.0005068100000000 ] - [ -0.0000551200000000, 0.0002763800000000, -0.0005590500000000 ] - [ 0.0003735900000000, 0.0000039200000000, -0.0006983800000000 ] - [ 0.0004925200000000, -0.0000913200000000, 0.0000622600000000 ] - [ 0.0006832700000000, -0.0002872300000000, -0.0006268700000000 ] - [ 0.0003091700000000, 0.0011708300000000, -0.0026061100000000 ] - [ 0.0006613500000000, 0.0005783200000000, -0.0062459900000000 ] - [ 0.0002329400000000, 0.0004352500000000, -0.0003916900000000 ] - [ -0.0001844300000000, 0.0000964600000000, -0.0007431300000000 ] - [ -0.0001395100000000, 0.0000323800000000, -0.0005450600000000 ] - [ -0.0003118800000000, -0.0002268000000000, -0.0007852400000000 ] - [ 0.0033474000000000, 0.0034767000000000, -0.0002314100000000 ] - [ 0.0005773000000000, -0.0010572100000000, -0.0021178800000000 ] - [ 0.0005330200000000, -0.0005043100000000, -0.0002946700000000 ] - [ 0.0001678900000000, 0.0011561700000000, -0.0009620000000000 ] - [ 0.0301428900000000, -0.1535243100000000, 0.2389198700000000 ] - [ -0.0007329000000000, 0.0013115600000000, -0.0028381000000000 ] - [ 0.0009855800000000, -0.0011251600000000, -0.0005952000000000 ] - [ -0.0009157600000000, 0.0000439100000000, -0.0005830800000000 ] - [ 0.0003897800000000, 0.0015072600000000, 0.0012875100000000 ] - [ -0.0011200800000000, 0.0000373600000000, -0.0015197100000000 ] - [ 0.0004192800000000, -0.0001763100000000, -0.0006306200000000 ] - [ 0.0003387900000000, -0.0002594200000000, -0.0014002300000000 ] - [ -0.0006378600000000, 0.0015984800000000, -0.0011652000000000 ] - [ -0.0003233500000000, -0.0007308900000000, 0.0007156900000000 ] - [ -0.0010804000000000, -0.0003942400000000, -0.0012082700000000 ] - [ -0.0006777300000000, -0.0004117400000000, 0.0012350800000000 ] - [ -0.0391614200000000, 0.2369866300000000, -0.3098841700000000 ] - [ 0.0001423000000000, -0.0006285200000000, 0.0023370500000000 ] - [ -0.0011396800000000, 0.0004752800000000, -0.0010860800000000 ] - [ -0.0002125800000000, 0.0001235600000000, 0.0012907100000000 ] - [ 0.0003176700000000, 0.0004836400000000, -0.0006171200000000 ] - [ 0.0001329700000000, 0.0004455000000000, 0.0010858400000000 ] - [ 0.0000825400000000, 0.0005840700000000, -0.0007423800000000 ] - [ 0.0004304700000000, -0.0006296800000000, 0.0003202200000000 ] - [ -0.0000611200000000, -0.0010211700000000, -0.0010823800000000 ] - [ 0.0004310000000000, 0.0002276900000000, 0.0012910100000000 ] - [ 0.0005128300000000, -0.0004458100000000, 0.0006806700000000 ] - [ -0.0002828400000000, -0.0005624300000000, 0.0003846700000000 ] - [ 0.0004694500000000, 0.0003636500000000, 0.0000385400000000 ] - [ 0.0004909700000000, 0.0006445500000000, 0.0007903500000000 ] - [ 0.0427136700000000, -0.0382597800000000, 0.0311146900000000 ] - [ 0.0004863500000000, 0.0003868600000000, 0.0020475500000000 ] - [ -0.0025246500000000, 0.0011125400000000, -0.0020802400000000 ] - [ 0.0007613300000000, 0.0002697200000000, 0.0015955400000000 ] - [ 0.0042551400000000, 0.0081240600000000, 0.0061757600000000 ] - [ -0.0005346800000000, -0.0002617000000000, 0.0052285100000000 ] - [ -0.0002226100000000, -0.0009108000000000, -0.0005394500000000 ] - [ 0.0000038200000000, -0.0001049000000000, 0.0006247500000000 ] - [ -0.0010651600000000, -0.0035068500000000, 0.0014397700000000 ] - [ -0.0007718100000000, -0.0000730700000000, 0.0009758400000000 ] - [ -0.0024774800000000, -0.0011720300000000, -0.0012662500000000 ] - [ -0.0000567000000000, 0.0007126000000000, 0.0006853200000000 ] - [ -0.0002194800000000, 0.0003592100000000, 0.0008803500000000 ] - [ 0.0003908600000000, 0.0001967900000000, 0.0003455100000000 ] - [ 0.0017785000000000, -0.0070610700000000, 0.0003067900000000 ] - [ 0.0004759500000000, -0.0004581700000000, 0.0007943800000000 ] - [ 0.0010137600000000, 0.0000347600000000, -0.0001108700000000 ] - [ 0.0011944800000000, -0.0002062300000000, 0.0008689400000000 ] - [ -0.0017711500000000, -0.0004547300000000, -0.0011980500000000 ] - [ 0.0007119600000000, -0.0000458700000000, 0.0005393100000000 ] - [ -0.0252386800000000, -0.0526128600000000, 0.0115703100000000 ] - [ 0.0000807900000000, -0.0005302800000000, 0.0021445300000000 ] - [ 0.0000585300000000, 0.0004304600000000, -0.0004562100000000 ] - [ 0.0007275200000000, 0.0000714600000000, 0.0004548100000000 ] - [ 0.0043161200000000, 0.0039665200000000, -0.0030723900000000 ] - [ 0.0000819700000000, -0.0004837400000000, 0.0013046400000000 ] - [ -0.0003155500000000, 0.0004764200000000, -0.0020355300000000 ] - [ -0.0003399000000000, 0.0000805100000000, 0.0005751700000000 ] - [ -0.0006506200000000, 0.0003739100000000, 0.0003453400000000 ] - [ -0.0004002100000000, -0.0007651000000000, 0.0008802700000000 ] - [ -0.0009439800000000, -0.0029058700000000, 0.0014569200000000 ] - [ -0.0001188600000000, 0.0015753700000000, 0.0014564100000000 ] - [ 0.0038303700000000, -0.0016194000000000, 0.0037689000000000 ] - [ -0.0009133800000000, 0.0007793200000000, 0.0003387200000000 ] - [ -0.0005939500000000, -0.0002572900000000, 0.0000289800000000 ] - [ -0.0005331500000000, 0.0006757800000000, 0.0005981200000000 ] - [ -0.0013327100000000, 0.0000914900000000, -0.0005954900000000 ] - [ 0.0001458100000000, -0.0010801700000000, 0.0013733900000000 ] - [ 0.0002064600000000, -0.0006507600000000, 0.0000885100000000 ] - [ -0.0009405700000000, -0.0001845600000000, 0.0006288200000000 ] - [ 0.0005924400000000, -0.0002947100000000, -0.0000268400000000 ] - [ 0.0000025400000000, -0.0004278100000000, 0.0005620500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004004600000000, -0.0025161000000000, -0.0012390900000000 ] - [ 0.0003132400000000, 0.0005767600000000, 0.0010645400000000 ] - [ -0.0005631000000000, -0.0027215900000000, -0.0035563700000000 ] - [ -0.0004153000000000, -0.0000963700000000, 0.0013111300000000 ] - [ 0.0007050900000000, -0.0003988500000000, -0.0004028100000000 ] - [ 0.0001786800000000, -0.0004277900000000, 0.0007335000000000 ] - [ -0.0002757700000000, -0.0004463500000000, -0.0000390400000000 ] - [ -0.0006700200000000, -0.0003874200000000, 0.0005192800000000 ] - [ 0.0005083800000000, 0.0001610900000000, 0.0000468500000000 ] - [ 0.0000157000000000, 0.0003593200000000, 0.0004067100000000 ] - [ 0.0035294200000000, -0.0021897200000000, -0.0072680800000000 ] - [ 0.0004919600000000, 0.0011481100000000, 0.0037506400000000 ] - [ -0.0017535800000000, -0.0005484900000000, 0.0012507500000000 ] - [ 0.0002082200000000, 0.0010090100000000, -0.0005371500000000 ] - [ 0.0070473800000000, 0.0061332800000000, -0.0147375200000000 ] - [ -0.0007203700000000, 0.0011458900000000, 0.0032079100000000 ] - [ 0.0074313600000000, 0.0074049300000000, -0.0036042000000000 ] - [ -0.0001638700000000, -0.0000616000000000, 0.0007809200000000 ] - [ -0.0008335100000000, 0.0004001400000000, -0.0002810400000000 ] - [ 0.0000310100000000, 0.0000586100000000, -0.0000106400000000 ] - [ 0.0004366800000000, -0.0017247100000000, -0.0008728900000000 ] - [ 0.0001943300000000, -0.0002108200000000, -0.0005242900000000 ] - [ 0.0000137100000000, -0.0007912500000000, 0.0001880900000000 ] - [ 0.0000065800000000, -0.0004701300000000, 0.0004573900000000 ] - [ -0.0010508100000000, 0.0036251500000000, -0.0015159600000000 ] - [ 0.0001223400000000, -0.0010547000000000, 0.0010397600000000 ] - [ -0.0000850300000000, -0.0000832400000000, 0.0002816400000000 ] - [ -0.0000616500000000, 0.0000710700000000, 0.0004850800000000 ] - [ 0.0006753000000000, -0.0002237900000000, 0.0001681000000000 ] - [ 0.0004738900000000, -0.0001862000000000, 0.0004302300000000 ] - [ -0.0008104200000000, 0.0000789400000000, -0.0022848300000000 ] - [ -0.0000710700000000, 0.0003589600000000, 0.0013591500000000 ] - [ -0.0000288200000000, -0.0005875300000000, -0.0011729700000000 ] - [ 0.0003016600000000, -0.0000768100000000, 0.0012142200000000 ] - [ -0.0000546100000000, 0.0008061600000000, -0.0007582400000000 ] - [ 0.0000363000000000, 0.0007757200000000, -0.0001111100000000 ] - [ 0.0007953300000000, -0.0086191200000000, -0.0001685600000000 ] - [ -0.0004431000000000, 0.0007193900000000, -0.0003302500000000 ] - [ 0.0001770100000000, -0.0026611200000000, 0.0010362900000000 ] - [ -0.0003994200000000, -0.0001653500000000, 0.0005054000000000 ] - [ 0.0000376100000000, -0.0007904200000000, -0.0003673200000000 ] - [ 0.0003571500000000, -0.0008979200000000, 0.0003339500000000 ] - [ -0.0000079900000000, -0.0001877900000000, 0.0027613900000000 ] - [ -0.0004832000000000, 0.0001594400000000, -0.0001461100000000 ] - [ -0.0002664700000000, -0.0005924800000000, -0.0016522300000000 ] - [ -0.0008867700000000, -0.0005562200000000, -0.0000970700000000 ] - [ 0.0007931300000000, 0.0003070100000000, -0.0002742200000000 ] - [ 0.0008477500000000, 0.0003169000000000, -0.0002386100000000 ] - [ -0.0006228600000000, 0.0000435300000000, -0.0009645700000000 ] - [ -0.0001701800000000, -0.0002781800000000, -0.0003168800000000 ] - [ -0.0003898800000000, -0.0000447300000000, -0.0006487700000000 ] - [ -0.0002337800000000, -0.0002539400000000, 0.0011561000000000 ] - [ 0.0004719000000000, 0.0002417400000000, 0.0009583800000000 ] - [ -0.0000345800000000, 0.0001119800000000, 0.0000616000000000 ] - [ 0.0008172400000000, -0.0002459100000000, -0.0006986600000000 ] - [ 0.0003916300000000, 0.0000247800000000, -0.0005597700000000 ] - [ 0.0010375500000000, -0.0006038600000000, -0.0007834200000000 ] - [ 0.0008475500000000, -0.0004095200000000, -0.0000941800000000 ] - [ -0.0008297700000000, -0.0007475300000000, 0.0031685900000000 ] - [ -0.0011841100000000, -0.0001514800000000, 0.0068421100000000 ] - [ 0.0001234700000000, 0.0002397200000000, -0.0008647800000000 ] - [ 0.0005414800000000, 0.0005796500000000, -0.0005148600000000 ] - [ -0.0002184200000000, -0.0007056400000000, -0.0007121500000000 ] - [ -0.0000470300000000, -0.0004501700000000, -0.0004720800000000 ] - [ -0.0033136500000000, -0.0028892800000000, -0.0007905600000000 ] - [ -0.0005432700000000, 0.0016494400000000, 0.0011090900000000 ] - [ -0.0000282600000000, 0.0001926600000000, -0.0007100300000000 ] - [ 0.0003330600000000, -0.0014749700000000, -0.0000462500000000 ] - [ -0.0277387500000000, 0.1407767100000000, -0.2301251800000000 ] - [ 0.0007039100000000, -0.0019022700000000, 0.0018299100000000 ] - [ -0.0015003900000000, 0.0008515200000000, -0.0004169500000000 ] - [ 0.0003940200000000, -0.0003178400000000, -0.0004258800000000 ] - [ 0.0000994400000000, -0.0012185500000000, -0.0023067800000000 ] - [ 0.0016388700000000, 0.0002358300000000, 0.0005099200000000 ] - [ -0.0009178200000000, 0.0004861800000000, -0.0003806300000000 ] - [ -0.0008394900000000, 0.0005768300000000, 0.0003933900000000 ] - [ 0.0002666000000000, -0.0010725400000000, 0.0013951700000000 ] - [ -0.0000492500000000, 0.0012674200000000, -0.0004826100000000 ] - [ -0.0002333900000000, -0.0000098700000000, 0.0015326800000000 ] - [ -0.0006341000000000, 0.0000114300000000, -0.0009117600000000 ] - [ 0.0357313200000000, -0.2226522700000000, 0.3015146400000000 ] - [ -0.0003144200000000, 0.0011211700000000, -0.0015726200000000 ] - [ 0.0016455100000000, -0.0005693300000000, 0.0018495600000000 ] - [ 0.0007260900000000, -0.0002222100000000, -0.0005270600000000 ] - [ -0.0000141100000000, 0.0008562300000000, 0.0009424600000000 ] - [ 0.0001689200000000, 0.0008975900000000, -0.0007625900000000 ] - [ 0.0004131600000000, -0.0000609500000000, 0.0002582900000000 ] - [ 0.0000660200000000, 0.0011573900000000, -0.0008055100000000 ] - [ -0.0002607000000000, 0.0006307400000000, 0.0018534300000000 ] - [ -0.0007612300000000, -0.0006188900000000, -0.0005266500000000 ] - [ -0.0008057400000000, -0.0008944000000000, -0.0003367300000000 ] - [ -0.0000158800000000, -0.0007809000000000, -0.0000626300000000 ] - [ 0.0000166600000000, 0.0014795400000000, 0.0006315100000000 ] - [ -0.0000058700000000, 0.0012035400000000, -0.0001206500000000 ] - [ -0.0416421300000000, 0.0380302100000000, -0.0305539200000000 ] - [ -0.0002023300000000, 0.0002042900000000, -0.0018182700000000 ] - [ 0.0023317500000000, -0.0004211900000000, 0.0015875400000000 ] - [ -0.0009680700000000, 0.0004236800000000, -0.0020809900000000 ] - [ -0.0029921700000000, -0.0078025600000000, -0.0059032800000000 ] - [ 0.0018461600000000, 0.0006651100000000, -0.0049303300000000 ] - [ -0.0004122900000000, 0.0008480400000000, 0.0007682200000000 ] - [ -0.0006473300000000, 0.0000538600000000, -0.0003934100000000 ] - [ 0.0007778300000000, 0.0029339600000000, -0.0012058700000000 ] - [ 0.0004858700000000, -0.0005182800000000, -0.0007423800000000 ] - [ 0.0017800200000000, 0.0013399500000000, 0.0007844000000000 ] - [ -0.0006436400000000, -0.0005464500000000, -0.0011724700000000 ] - [ 0.0005491900000000, 0.0000308800000000, -0.0001130400000000 ] - [ -0.0000585000000000, 0.0001953300000000, 0.0004172300000000 ] - [ -0.0004300900000000, 0.0056550700000000, 0.0003608700000000 ] - [ 0.0008804500000000, -0.0008876500000000, -0.0001253400000000 ] - [ 0.0008234300000000, 0.0004477400000000, 0.0007723300000000 ] - [ 0.0006415200000000, 0.0006896700000000, -0.0002063000000000 ] - [ 0.0019738400000000, -0.0002388100000000, 0.0007152000000000 ] - [ -0.0005037000000000, -0.0006472600000000, -0.0010263600000000 ] - [ 0.0256801300000000, 0.0517593700000000, -0.0122979300000000 ] - [ 0.0006159000000000, 0.0003619300000000, -0.0026348000000000 ] - [ 0.0005889100000000, -0.0003782500000000, 0.0006878600000000 ] - [ -0.0000803800000000, -0.0000192400000000, -0.0002235900000000 ] - [ -0.0033153800000000, -0.0048807600000000, 0.0033794900000000 ] - [ 0.0009242100000000, -0.0004466100000000, -0.0009804800000000 ] - [ -0.0001782900000000, -0.0009987600000000, 0.0015504000000000 ] - [ -0.0001572600000000, -0.0006081200000000, -0.0010588000000000 ] - [ 0.0001353900000000, -0.0002772000000000, 0.0004178400000000 ] - [ -0.0001141500000000, 0.0008637900000000, -0.0001139400000000 ] - [ 0.0011161200000000, 0.0024242900000000, -0.0006903500000000 ] - [ 0.0002874200000000, -0.0020651400000000, -0.0006911800000000 ] - [ -0.0048757200000000, 0.0025690600000000, -0.0034679900000000 ] - [ -0.0000914600000000, 0.0001518700000000, -0.0000213100000000 ] - [ -0.0007609500000000, 0.0016022900000000, 0.0006403700000000 ] - [ -0.0008216500000000, 0.0006675400000000, 0.0000709000000000 ] - [ 0.0008523500000000, -0.0019378000000000, 0.0012589200000000 ] - [ -0.0006290700000000, -0.0007685500000000, -0.0007014100000000 ] - [ -0.0020339400000000, 0.0001632800000000, 0.0005736600000000 ] - [ -0.0008935800000000, -0.0003004200000000, 0.0000332800000000 ] - [ -0.0002184900000000, -0.0002363400000000, 0.0002577300000000 ] - [ 0.0003687100000000, -0.0001042000000000, -0.0003304900000000 ]- atom: 87 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011376700000000, 0.0002816200000000, -0.0006683200000000 ] - [ 0.0017714500000000, 0.0004511000000000, -0.0008163000000000 ] - [ -0.0009681000000000, 0.0000262400000000, 0.0004760100000000 ] - [ -0.0012166700000000, 0.0000918100000000, -0.0000276000000000 ] - [ 0.0003183100000000, -0.0003549700000000, 0.0001025600000000 ] - [ 0.0004072500000000, -0.0004433500000000, 0.0003638900000000 ] - [ -0.0013685000000000, 0.0007695100000000, 0.0009754500000000 ] - [ -0.0004345400000000, -0.0002493400000000, -0.0000390100000000 ] - [ 0.0024381000000000, 0.0015632200000000, 0.0001084800000000 ] - [ 0.0000168100000000, 0.0005779300000000, 0.0000792600000000 ] - [ 0.0002585400000000, -0.0008407000000000, 0.0004961400000000 ] - [ 0.0004309900000000, -0.0003048900000000, 0.0000207300000000 ] - [ 0.0191416200000000, -0.0015255900000000, 0.0098500200000000 ] - [ 0.0013624900000000, 0.0000113100000000, -0.0005082900000000 ] - [ 0.0000231800000000, 0.0005428600000000, -0.0003471800000000 ] - [ -0.0001568500000000, 0.0009637300000000, -0.0006221400000000 ] - [ 0.0000824800000000, -0.0000510100000000, 0.0003836700000000 ] - [ -0.0004706600000000, -0.0004277800000000, 0.0007386900000000 ] - [ -0.0008447700000000, 0.0002650300000000, -0.0002630000000000 ] - [ -0.0008199600000000, 0.0002872800000000, -0.0004439200000000 ] - [ -0.0003449100000000, 0.0003789200000000, -0.0005413100000000 ] - [ 0.0000848500000000, -0.0002912100000000, -0.0006751100000000 ] - [ -0.0001499200000000, 0.0002922700000000, 0.0005013000000000 ] - [ -0.0005381100000000, 0.0003620700000000, 0.0003985100000000 ] - [ 0.0014014000000000, -0.0044033800000000, 0.0034199800000000 ] - [ 0.0000371500000000, 0.0004283400000000, 0.0002550700000000 ] - [ -0.0001053200000000, 0.0003635700000000, -0.0011950800000000 ] - [ 0.0005981100000000, 0.0001310900000000, 0.0019674000000000 ] - [ 0.0003655200000000, -0.0000497800000000, 0.0003403800000000 ] - [ 0.0004170600000000, -0.0001594400000000, 0.0003124300000000 ] - [ 0.0001138400000000, 0.0000855100000000, 0.0007666500000000 ] - [ 0.0002069200000000, 0.0006362600000000, -0.0007224800000000 ] - [ -0.0003147700000000, 0.0000162900000000, 0.0019513000000000 ] - [ 0.0002840400000000, -0.0003918700000000, -0.0007974100000000 ] - [ -0.0003200400000000, 0.0007504100000000, -0.0004199900000000 ] - [ -0.0001792800000000, 0.0008145600000000, -0.0003791700000000 ] - [ -0.0001875700000000, 0.0000177800000000, -0.0006284600000000 ] - [ -0.0001149000000000, -0.0001158300000000, -0.0006113200000000 ] - [ -0.0015248700000000, -0.0009988800000000, 0.0000690900000000 ] - [ -0.0005839100000000, -0.0003687800000000, 0.0002740300000000 ] - [ -0.0000902700000000, -0.0014284100000000, 0.0001852500000000 ] - [ 0.0000786800000000, -0.0008268600000000, -0.0004538500000000 ] - [ -0.0002387100000000, -0.0002372400000000, 0.0003958000000000 ] - [ -0.0001430100000000, -0.0003100000000000, -0.0001072300000000 ] - [ -0.0008779500000000, -0.0008869900000000, -0.0005266700000000 ] - [ -0.0007067600000000, -0.0005724800000000, -0.0003438600000000 ] - [ 0.0002660800000000, 0.0004578400000000, -0.0002503200000000 ] - [ 0.0006092000000000, 0.0004277600000000, -0.0004461000000000 ] - [ -0.0018270100000000, -0.0027664600000000, -0.0010930600000000 ] - [ -0.0002097500000000, -0.0000732000000000, -0.0006505600000000 ] - [ 0.0084250200000000, 0.0012847500000000, -0.0002893900000000 ] - [ -0.0003854600000000, -0.0002378200000000, 0.0001534500000000 ] - [ 0.0002456300000000, 0.0003601000000000, 0.0006608300000000 ] - [ 0.0003402300000000, 0.0001348000000000, 0.0001232000000000 ] - [ 0.0002731200000000, 0.0000584000000000, -0.0006381200000000 ] - [ -0.0000791000000000, 0.0002058700000000, -0.0005948100000000 ] - [ 0.0005370000000000, 0.0003772600000000, -0.0010437400000000 ] - [ 0.0006900000000000, -0.0004030000000000, -0.0002873500000000 ] - [ -0.0001822800000000, 0.0008037500000000, 0.0011302900000000 ] - [ -0.0002287000000000, 0.0002401000000000, 0.0000370900000000 ] - [ -0.0000070800000000, 0.0001495100000000, -0.0005999100000000 ] - [ 0.0001707400000000, 0.0002702900000000, -0.0006796600000000 ] - [ -0.0004672200000000, -0.0004117600000000, -0.0008557300000000 ] - [ -0.0006814400000000, -0.0005062500000000, -0.0003672900000000 ] - [ -0.0043969300000000, -0.0025836700000000, -0.0000994400000000 ] - [ -0.0005113100000000, -0.0000566500000000, -0.0006565000000000 ] - [ 0.0903060200000000, -0.0340331400000000, 0.0158745900000000 ] - [ 0.0001574600000000, -0.0002835500000000, -0.0008062000000000 ] - [ -0.0003153100000000, -0.0006713000000000, -0.0003835500000000 ] - [ -0.0002373400000000, -0.0003569200000000, -0.0006722800000000 ] - [ 0.0042293200000000, -0.0004074900000000, -0.0032064200000000 ] - [ 0.0004537100000000, -0.0001368700000000, -0.0009041000000000 ] - [ -0.0011391300000000, 0.0003104700000000, -0.0014767500000000 ] - [ -0.0004851000000000, 0.0021973300000000, 0.0005161400000000 ] - [ -0.0001404800000000, 0.0007040900000000, -0.0006484300000000 ] - [ -0.0002835900000000, 0.0018452900000000, -0.0008622000000000 ] - [ -0.0170872400000000, 0.0350108500000000, 0.0032704400000000 ] - [ -0.0003143500000000, 0.0003519500000000, 0.0003952400000000 ] - [ -0.0004966500000000, -0.0005230100000000, -0.0011719200000000 ] - [ 0.0004919900000000, -0.0011630500000000, 0.0016430900000000 ] - [ 0.0001063600000000, 0.0005214200000000, 0.0002190700000000 ] - [ 0.0000851800000000, 0.0002708200000000, 0.0005683900000000 ] - [ -0.0002489200000000, -0.0003635700000000, 0.0003513000000000 ] - [ 0.0004910600000000, -0.0007130300000000, 0.0007814500000000 ] - [ -0.0057793900000000, -0.0000809400000000, 0.0035654900000000 ] - [ -0.0022065200000000, 0.0008794600000000, -0.0002602700000000 ] - [ -0.1043280400000000, 0.0425600100000000, -0.0653230400000000 ] - [ 0.0001248900000000, 0.0002926300000000, -0.0001087500000000 ] - [ 0.0005595500000000, -0.0009713700000000, 0.0014185100000000 ] - [ -0.0003661800000000, -0.0010187000000000, -0.0001850900000000 ] - [ -0.0002493200000000, -0.0011026900000000, -0.0002019500000000 ] - [ -0.0001904800000000, -0.0007857400000000, 0.0003677800000000 ] - [ 0.0007490600000000, 0.0009717500000000, 0.0006376400000000 ] - [ 0.0009208500000000, 0.0009778800000000, 0.0001723500000000 ] - [ 0.0002979300000000, 0.0006149900000000, 0.0001693100000000 ] - [ 0.0005328600000000, 0.0008693800000000, 0.0000591400000000 ] - [ 0.0008425400000000, 0.0001427300000000, 0.0000710300000000 ] - [ 0.0006063900000000, -0.0003018500000000, -0.0004354000000000 ] - [ -0.0005782700000000, 0.0034554300000000, -0.0019304100000000 ] - [ 0.0006122400000000, 0.0001539600000000, 0.0004191500000000 ] - [ -0.0002364300000000, -0.0002238400000000, 0.0006287400000000 ] - [ 0.0003512400000000, -0.0011194800000000, -0.0018100000000000 ] - [ 0.0031578200000000, 0.0001427100000000, -0.0010667100000000 ] - [ 0.0002145400000000, -0.0002375700000000, 0.0002369700000000 ] - [ 0.0059592400000000, 0.0016239700000000, -0.0000331600000000 ] - [ -0.0001148000000000, 0.0003543000000000, 0.0004668500000000 ] - [ -0.0035654300000000, -0.0033680600000000, -0.0001661300000000 ] - [ -0.0002792700000000, -0.0000163000000000, 0.0007479100000000 ] - [ 0.0006988500000000, -0.0003554200000000, 0.0006838300000000 ] - [ 0.0003181100000000, -0.0000501600000000, 0.0000518300000000 ] - [ 0.0056136100000000, 0.0024996400000000, 0.0013854400000000 ] - [ 0.0008851300000000, 0.0003340000000000, 0.0003536800000000 ] - [ -0.0018443500000000, 0.0029046000000000, -0.0003066100000000 ] - [ -0.0003124800000000, -0.0002412400000000, 0.0004600100000000 ] - [ 0.0005131300000000, 0.0002445200000000, -0.0000623700000000 ] - [ 0.0004476100000000, -0.0003709600000000, -0.0006028800000000 ] - [ -0.0003048900000000, 0.0004509800000000, 0.0004808300000000 ] - [ 0.0001748200000000, 0.0000467800000000, 0.0002723600000000 ] - [ 0.0004667200000000, -0.0002165700000000, -0.0001768100000000 ] - [ 0.0005632100000000, 0.0023182300000000, 0.0022449600000000 ] - [ -0.0002650900000000, -0.0006875600000000, -0.0000726800000000 ] - [ -0.0002670400000000, -0.0012592200000000, -0.0004125500000000 ] - [ -0.0006727600000000, -0.0437609500000000, 0.0326808700000000 ] - [ -0.0003912100000000, 0.0000680900000000, 0.0006329500000000 ] - [ 0.0015945500000000, 0.0008855000000000, 0.0004511100000000 ] - [ 0.0001404000000000, 0.0000137100000000, 0.0004760500000000 ] - [ 0.0006225600000000, 0.0006473700000000, 0.0002293600000000 ] - [ -0.0002696400000000, 0.0004450200000000, 0.0004946600000000 ] - [ 0.0001314100000000, 0.0002802100000000, 0.0002631200000000 ] - [ -0.0004752400000000, 0.0006743900000000, 0.0004714100000000 ] - [ 0.0000723200000000, -0.0003417200000000, 0.0002790400000000 ] - [ -0.0002188500000000, -0.0007843100000000, 0.0004435600000000 ] - [ -0.0007839000000000, -0.0001952700000000, 0.0004094900000000 ] - [ -0.0006152000000000, -0.0002990700000000, 0.0002596300000000 ] - [ 0.0001367400000000, -0.0008390100000000, 0.0002405300000000 ] - [ 0.0005766000000000, -0.0013860100000000, 0.0005940900000000 ]- atom: 87 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003399300000000, 0.0004021700000000, 0.0011276900000000 ] - [ -0.0009535800000000, 0.0002368800000000, 0.0012251400000000 ] - [ -0.0000215300000000, 0.0003212300000000, -0.0000470100000000 ] - [ 0.0002277900000000, 0.0002534100000000, 0.0004615800000000 ] - [ -0.0001282500000000, -0.0007141100000000, 0.0003384600000000 ] - [ -0.0002183400000000, -0.0006240700000000, 0.0000854700000000 ] - [ 0.0005372200000000, -0.0014545200000000, -0.0005319500000000 ] - [ -0.0003714100000000, -0.0004370900000000, 0.0004721500000000 ] - [ -0.0023790200000000, -0.0006484200000000, 0.0002931900000000 ] - [ -0.0002081000000000, 0.0004946500000000, 0.0003680000000000 ] - [ 0.0007411400000000, 0.0005072100000000, -0.0000666400000000 ] - [ 0.0005611800000000, -0.0000380200000000, 0.0004114100000000 ] - [ -0.0195103700000000, 0.0012472200000000, -0.0110302300000000 ] - [ -0.0013716600000000, -0.0000208000000000, -0.0001275100000000 ] - [ -0.0000444000000000, -0.0005104600000000, -0.0002758400000000 ] - [ 0.0001504900000000, -0.0009481300000000, -0.0000130200000000 ] - [ 0.0005785100000000, 0.0004555600000000, 0.0003073500000000 ] - [ 0.0011378900000000, 0.0008345800000000, -0.0000519200000000 ] - [ -0.0006859900000000, 0.0004325600000000, -0.0004560600000000 ] - [ -0.0007112700000000, 0.0004097800000000, -0.0002751300000000 ] - [ 0.0007508900000000, -0.0010335900000000, -0.0007168300000000 ] - [ 0.0003212600000000, -0.0003598400000000, -0.0005819800000000 ] - [ 0.0001682700000000, -0.0010668800000000, 0.0001899800000000 ] - [ 0.0005518300000000, -0.0011371800000000, 0.0002877800000000 ] - [ -0.0014526100000000, 0.0052639100000000, -0.0027509800000000 ] - [ -0.0000548800000000, 0.0003391000000000, 0.0004371600000000 ] - [ -0.0005525400000000, 0.0000020300000000, 0.0018798600000000 ] - [ -0.0012661400000000, 0.0002381100000000, -0.0012633000000000 ] - [ 0.0002961100000000, -0.0003133200000000, 0.0003537700000000 ] - [ 0.0002537400000000, -0.0002073900000000, 0.0003798400000000 ] - [ -0.0000004300000000, 0.0005800800000000, -0.0002073700000000 ] - [ -0.0000989400000000, 0.0000225800000000, 0.0012985300000000 ] - [ 0.0008420000000000, -0.0004444700000000, -0.0013944800000000 ] - [ 0.0002366200000000, -0.0000343200000000, 0.0013639400000000 ] - [ 0.0001553700000000, 0.0009236400000000, -0.0003007600000000 ] - [ 0.0000151600000000, 0.0008601500000000, -0.0003400800000000 ] - [ -0.0002181200000000, 0.0006349000000000, -0.0006277200000000 ] - [ -0.0002883400000000, 0.0007702500000000, -0.0006488900000000 ] - [ 0.0008726600000000, 0.0006050900000000, 0.0006250100000000 ] - [ -0.0000717200000000, -0.0000293300000000, 0.0004184600000000 ] - [ 0.0002596200000000, -0.0002539800000000, -0.0009053600000000 ] - [ 0.0000853400000000, -0.0008491500000000, -0.0002658300000000 ] - [ 0.0001273600000000, -0.0004214600000000, 0.0001704400000000 ] - [ 0.0000337900000000, -0.0003508200000000, 0.0006739500000000 ] - [ -0.0004844700000000, -0.0000935700000000, -0.0001928300000000 ] - [ -0.0006605000000000, -0.0004063000000000, -0.0003764400000000 ] - [ 0.0011008800000000, 0.0005207200000000, -0.0004682900000000 ] - [ 0.0007588600000000, 0.0005513800000000, -0.0002734400000000 ] - [ 0.0011413100000000, 0.0026624800000000, -0.0001670300000000 ] - [ -0.0005557900000000, 0.0000443200000000, -0.0006065200000000 ] - [ -0.0091085400000000, -0.0016104900000000, 0.0008191400000000 ] - [ -0.0002409100000000, -0.0000018100000000, 0.0004196400000000 ] - [ 0.0003780500000000, -0.0001180900000000, -0.0000924500000000 ] - [ 0.0002856100000000, 0.0001044300000000, 0.0004471000000000 ] - [ 0.0004914200000000, -0.0000296400000000, -0.0006193700000000 ] - [ 0.0008407000000000, -0.0001761000000000, -0.0006620100000000 ] - [ 0.0010057000000000, -0.0010599800000000, 0.0003222300000000 ] - [ 0.0008423200000000, -0.0002944200000000, -0.0004310800000000 ] - [ -0.0003349200000000, -0.0003743300000000, -0.0005856100000000 ] - [ -0.0002913200000000, 0.0001862000000000, 0.0005322300000000 ] - [ 0.0003741400000000, 0.0005352000000000, -0.0006585800000000 ] - [ 0.0001903600000000, 0.0004093300000000, -0.0005770000000000 ] - [ 0.0001068200000000, -0.0002657000000000, -0.0004022100000000 ] - [ 0.0003162900000000, -0.0001739300000000, -0.0008876800000000 ] - [ 0.0044365500000000, 0.0031983200000000, -0.0009174500000000 ] - [ 0.0005448700000000, 0.0006443700000000, -0.0003563800000000 ] - [ -0.0891579000000000, 0.0323772400000000, -0.0167104200000000 ] - [ 0.0003453400000000, -0.0000435800000000, -0.0001974400000000 ] - [ 0.0002909400000000, 0.0000912400000000, -0.0006288500000000 ] - [ 0.0002177900000000, -0.0002187200000000, -0.0003440000000000 ] - [ -0.0047369500000000, 0.0001657400000000, 0.0021621700000000 ] - [ -0.0009765600000000, -0.0001321200000000, -0.0001057600000000 ] - [ 0.0016476900000000, -0.0000429600000000, 0.0004538700000000 ] - [ 0.0009939100000000, -0.0019039700000000, -0.0015161300000000 ] - [ -0.0003755400000000, -0.0003803000000000, -0.0003423300000000 ] - [ -0.0002172300000000, -0.0015103300000000, -0.0001487200000000 ] - [ 0.0164408900000000, -0.0347101400000000, -0.0029975100000000 ] - [ -0.0000573400000000, 0.0001845200000000, -0.0001617700000000 ] - [ -0.0008182400000000, 0.0001293100000000, 0.0015046500000000 ] - [ -0.0018051700000000, 0.0007774500000000, -0.0013187300000000 ] - [ -0.0002781900000000, -0.0000392600000000, 0.0005507800000000 ] - [ -0.0002570100000000, 0.0002107300000000, 0.0002049200000000 ] - [ 0.0007773300000000, 0.0002592800000000, 0.0003995700000000 ] - [ 0.0000240600000000, 0.0006095600000000, -0.0000141700000000 ] - [ 0.0060860300000000, 0.0014618200000000, -0.0033087600000000 ] - [ 0.0025044300000000, 0.0004752400000000, 0.0005717600000000 ] - [ 0.1043628600000000, -0.0403634300000000, 0.0657298500000000 ] - [ 0.0003711100000000, 0.0002431500000000, -0.0003813400000000 ] - [ -0.0008806200000000, 0.0005781200000000, -0.0006408400000000 ] - [ 0.0000362300000000, 0.0006209500000000, 0.0009443200000000 ] - [ -0.0000414400000000, -0.0002486200000000, 0.0005226700000000 ] - [ -0.0001102800000000, -0.0005592700000000, -0.0000470000000000 ] - [ -0.0002625300000000, 0.0008783200000000, 0.0000319300000000 ] - [ -0.0004320200000000, 0.0008737300000000, 0.0004926900000000 ] - [ -0.0000186100000000, -0.0000278400000000, 0.0000631900000000 ] - [ -0.0002580000000000, -0.0002858300000000, 0.0001761500000000 ] - [ -0.0010446900000000, 0.0005492300000000, -0.0005533000000000 ] - [ -0.0008065100000000, 0.0009880900000000, -0.0000496200000000 ] - [ 0.0019103600000000, -0.0031173700000000, 0.0022702100000000 ] - [ 0.0007004900000000, 0.0002445700000000, -0.0000979700000000 ] - [ -0.0004111100000000, 0.0001767600000000, -0.0003936000000000 ] - [ -0.0009831000000000, 0.0010577300000000, 0.0020219100000000 ] - [ -0.0034596200000000, -0.0007392200000000, 0.0013111900000000 ] - [ -0.0004994500000000, -0.0003510700000000, -0.0000029200000000 ] - [ -0.0067708200000000, -0.0014572100000000, -0.0004863700000000 ] - [ -0.0005851300000000, -0.0001858100000000, -0.0009529000000000 ] - [ 0.0038841500000000, 0.0037175800000000, 0.0009347000000000 ] - [ 0.0006118100000000, 0.0004083600000000, 0.0000176000000000 ] - [ 0.0006509600000000, -0.0009891400000000, -0.0000205100000000 ] - [ 0.0010269500000000, -0.0012925200000000, 0.0006224000000000 ] - [ -0.0037309500000000, -0.0019412400000000, -0.0007001100000000 ] - [ 0.0009497100000000, 0.0001525300000000, 0.0003034000000000 ] - [ 0.0020448900000000, -0.0036106600000000, -0.0001755300000000 ] - [ 0.0005222100000000, -0.0004547100000000, -0.0009521000000000 ] - [ 0.0001831800000000, -0.0004206100000000, -0.0004266600000000 ] - [ 0.0002430500000000, 0.0001938900000000, 0.0001306300000000 ] - [ 0.0009555300000000, -0.0004173400000000, -0.0002354900000000 ] - [ 0.0004708500000000, 0.0000020900000000, -0.0000426900000000 ] - [ 0.0005328600000000, -0.0007194700000000, 0.0005078400000000 ] - [ 0.0004320300000000, -0.0032852300000000, -0.0019436300000000 ] - [ -0.0002264500000000, 0.0001491500000000, -0.0004187300000000 ] - [ -0.0002282000000000, 0.0007203300000000, -0.0000738400000000 ] - [ 0.0004230700000000, 0.0441919800000000, -0.0322461800000000 ] - [ -0.0001208100000000, 0.0000347900000000, 0.0001282700000000 ] - [ -0.0014281200000000, -0.0013788600000000, 0.0003148200000000 ] - [ 0.0000299800000000, -0.0005016100000000, 0.0002946900000000 ] - [ -0.0016233100000000, 0.0002741500000000, 0.0000944500000000 ] - [ -0.0007338800000000, 0.0004872400000000, -0.0001720400000000 ] - [ -0.0014824200000000, 0.0010702700000000, 0.0004037900000000 ] - [ -0.0008787700000000, 0.0006728300000000, 0.0001950100000000 ] - [ -0.0005697700000000, -0.0015108000000000, 0.0003885100000000 ] - [ -0.0002685900000000, -0.0010650200000000, 0.0002223700000000 ] - [ -0.0010517600000000, -0.0002888600000000, 0.0002505800000000 ] - [ -0.0012186800000000, -0.0001874700000000, 0.0003985300000000 ] - [ 0.0002401700000000, 0.0003135600000000, -0.0000145600000000 ] - [ -0.0001992400000000, 0.0008489600000000, -0.0003531300000000 ]- atom: 87 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0009089700000000, 0.0017119200000000, -0.0031433800000000 ] - [ -0.0016727500000000, 0.0002651700000000, 0.0042933700000000 ] - [ -0.0004186600000000, 0.0001455500000000, 0.0001332200000000 ] - [ -0.0002788100000000, 0.0001889600000000, 0.0001669300000000 ] - [ 0.0003524000000000, -0.0015622200000000, 0.0011024600000000 ] - [ 0.0003776700000000, -0.0014395800000000, -0.0007396100000000 ] - [ 0.0034665800000000, -0.0012795100000000, -0.0015368700000000 ] - [ -0.0003287300000000, -0.0001530000000000, 0.0005182400000000 ] - [ 0.0007836900000000, 0.0010321700000000, 0.0003451400000000 ] - [ 0.0000831300000000, 0.0005466100000000, 0.0005313700000000 ] - [ -0.0010467900000000, -0.0015104700000000, 0.0000407400000000 ] - [ 0.0002321700000000, -0.0004074300000000, 0.0003574500000000 ] - [ -0.0129675800000000, 0.0134531500000000, -0.0090095300000000 ] - [ -0.0028765200000000, 0.0002020200000000, 0.0027178000000000 ] - [ 0.0031058100000000, -0.0044847800000000, -0.0026367100000000 ] - [ 0.0008652400000000, -0.0021154100000000, 0.0005773500000000 ] - [ -0.0007839200000000, -0.0008562800000000, 0.0006978000000000 ] - [ -0.0006160200000000, -0.0006372700000000, 0.0004536300000000 ] - [ -0.0010486200000000, 0.0000710300000000, -0.0005261600000000 ] - [ -0.0008669800000000, 0.0003260900000000, -0.0003711400000000 ] - [ 0.0002784300000000, -0.0001412300000000, -0.0006725900000000 ] - [ 0.0002328300000000, -0.0001440100000000, -0.0005764900000000 ] - [ -0.0000231000000000, 0.0003920500000000, 0.0004183300000000 ] - [ 0.0009886900000000, 0.0004775100000000, 0.0014448100000000 ] - [ 0.0034411200000000, -0.0111475600000000, 0.0027917000000000 ] - [ -0.0001009900000000, 0.0006377600000000, 0.0004337400000000 ] - [ 0.0023541000000000, -0.0004058500000000, 0.0015942400000000 ] - [ -0.0004560800000000, 0.0003980200000000, -0.0015525000000000 ] - [ 0.0026872200000000, -0.0012502100000000, -0.0001967900000000 ] - [ 0.0007817500000000, -0.0004297600000000, 0.0002715100000000 ] - [ -0.0008402600000000, -0.0002395600000000, 0.0018988600000000 ] - [ 0.0000314600000000, 0.0002612000000000, 0.0002657600000000 ] - [ -0.0001259200000000, 0.0001880600000000, -0.0002935800000000 ] - [ 0.0002736900000000, -0.0002230800000000, 0.0010431800000000 ] - [ -0.0000574300000000, 0.0007229300000000, -0.0003542900000000 ] - [ 0.0000201700000000, 0.0008296400000000, -0.0003126000000000 ] - [ -0.0003213600000000, 0.0001328200000000, -0.0007275900000000 ] - [ -0.0006604400000000, -0.0003708700000000, -0.0003002900000000 ] - [ -0.0001209100000000, -0.0000729700000000, 0.0003669700000000 ] - [ -0.0002411300000000, -0.0001891200000000, 0.0003742700000000 ] - [ -0.0008710800000000, -0.0002140100000000, -0.0001019500000000 ] - [ 0.0001291700000000, -0.0005224100000000, -0.0002626600000000 ] - [ 0.0002874600000000, -0.0006518100000000, 0.0003828900000000 ] - [ 0.0000827400000000, -0.0004005100000000, 0.0008007100000000 ] - [ -0.0012988800000000, -0.0005772800000000, -0.0005066700000000 ] - [ -0.0008344400000000, -0.0005401100000000, -0.0001253300000000 ] - [ 0.0007315600000000, 0.0005979200000000, -0.0003832900000000 ] - [ 0.0006785100000000, 0.0005564400000000, -0.0003036100000000 ] - [ -0.0080238200000000, 0.0068669700000000, -0.0010896100000000 ] - [ -0.0004611100000000, 0.0001664500000000, -0.0005382600000000 ] - [ -0.0018286300000000, 0.0077705500000000, 0.0155724000000000 ] - [ -0.0003868300000000, 0.0000475100000000, -0.0000877000000000 ] - [ 0.0008170800000000, -0.0005312900000000, -0.0002607300000000 ] - [ 0.0003501000000000, 0.0000031900000000, 0.0000890600000000 ] - [ 0.0007381600000000, -0.0001178100000000, -0.0006588600000000 ] - [ 0.0013355500000000, -0.0003705900000000, -0.0007386500000000 ] - [ 0.0007574400000000, -0.0008932200000000, -0.0004258900000000 ] - [ 0.0007581500000000, -0.0001887300000000, -0.0003455800000000 ] - [ -0.0006785800000000, -0.0007248100000000, 0.0024368700000000 ] - [ -0.0002247300000000, 0.0001787000000000, 0.0000812200000000 ] - [ -0.0012210300000000, -0.0010590500000000, -0.0003907400000000 ] - [ -0.0000989300000000, 0.0000736300000000, -0.0006034400000000 ] - [ 0.0003915300000000, 0.0001646500000000, -0.0005519600000000 ] - [ 0.0004677200000000, 0.0002229100000000, -0.0007047900000000 ] - [ 0.0008185000000000, 0.0016788500000000, 0.0006014300000000 ] - [ -0.0001425800000000, 0.0006493400000000, -0.0000729800000000 ] - [ -0.0690891000000000, 0.2904142200000000, -0.0529429900000000 ] - [ 0.0009054400000000, 0.0018063900000000, 0.0002851800000000 ] - [ -0.0015250400000000, -0.0010629400000000, -0.0008382000000000 ] - [ -0.0019552400000000, -0.0021174100000000, 0.0003586100000000 ] - [ -0.0022748700000000, -0.0067247100000000, 0.0071042100000000 ] - [ -0.0005930200000000, -0.0009321200000000, 0.0003462700000000 ] - [ 0.0031549300000000, -0.0000597600000000, 0.0011720500000000 ] - [ 0.0018831100000000, -0.0024748400000000, -0.0016727900000000 ] - [ 0.0018210500000000, -0.0007618400000000, -0.0028595900000000 ] - [ 0.0002456400000000, -0.0028089300000000, 0.0000770000000000 ] - [ 0.0273908100000000, 0.0591523000000000, 0.0105431100000000 ] - [ -0.0005473600000000, -0.0008021500000000, -0.0007483400000000 ] - [ -0.0000231200000000, -0.0010715700000000, 0.0004338900000000 ] - [ -0.0007191900000000, -0.0024191200000000, -0.0003578400000000 ] - [ 0.0002787200000000, 0.0009575100000000, 0.0007464700000000 ] - [ 0.0001640600000000, 0.0014521900000000, -0.0004850000000000 ] - [ -0.0017239100000000, 0.0009700700000000, 0.0025386300000000 ] - [ -0.0005120900000000, 0.0010143200000000, -0.0003151500000000 ] - [ 0.0009211700000000, -0.0031304300000000, -0.0154343200000000 ] - [ 0.0015380900000000, -0.0015757000000000, 0.0021310600000000 ] - [ 0.0889615400000000, -0.4267102200000000, 0.0991019100000000 ] - [ 0.0003310200000000, -0.0008420200000000, -0.0003513200000000 ] - [ -0.0025813400000000, 0.0011060800000000, -0.0014854100000000 ] - [ -0.0004457100000000, 0.0007738000000000, 0.0009888800000000 ] - [ -0.0023345200000000, 0.0008839200000000, 0.0008861200000000 ] - [ -0.0005494900000000, -0.0003271700000000, 0.0001275000000000 ] - [ -0.0001254000000000, 0.0005371400000000, 0.0003075700000000 ] - [ -0.0001546500000000, 0.0004676200000000, 0.0003747600000000 ] - [ 0.0013120400000000, 0.0008612400000000, 0.0002302700000000 ] - [ 0.0012633300000000, 0.0011900300000000, -0.0000299200000000 ] - [ -0.0022362700000000, 0.0013585200000000, -0.0006864200000000 ] - [ -0.0013265300000000, 0.0014822000000000, -0.0001885800000000 ] - [ -0.0017237700000000, 0.0088098000000000, -0.0011378900000000 ] - [ 0.0006756300000000, 0.0001553800000000, 0.0001432500000000 ] - [ -0.0021094200000000, 0.0003123300000000, -0.0004863400000000 ] - [ -0.0018549500000000, 0.0010216000000000, 0.0024606500000000 ] - [ -0.0005912900000000, -0.0005606100000000, -0.0000666700000000 ] - [ 0.0000059700000000, -0.0004156500000000, -0.0001703800000000 ] - [ -0.0013455500000000, -0.0027531000000000, 0.0003418000000000 ] - [ -0.0001634500000000, -0.0002923000000000, -0.0008916900000000 ] - [ 0.0041227700000000, 0.0134267600000000, 0.0027728200000000 ] - [ 0.0004127000000000, 0.0007252400000000, -0.0004860400000000 ] - [ 0.0011090900000000, -0.0010348400000000, 0.0008475000000000 ] - [ 0.0024135900000000, -0.0006343900000000, -0.0008427100000000 ] - [ 0.0024533300000000, -0.0049464400000000, -0.0003143000000000 ] - [ 0.0008970500000000, -0.0000828400000000, 0.0002812400000000 ] - [ 0.0030537200000000, 0.0031512000000000, 0.0001075800000000 ] - [ 0.0003349600000000, -0.0000742900000000, -0.0005573400000000 ] - [ 0.0008663700000000, 0.0010318200000000, 0.0002297300000000 ] - [ 0.0015409600000000, 0.0016978000000000, -0.0019357500000000 ] - [ -0.0011585600000000, 0.0041355400000000, -0.0031385400000000 ] - [ 0.0001779400000000, 0.0007845100000000, -0.0001581700000000 ] - [ 0.0017792700000000, 0.0003967500000000, -0.0013521500000000 ] - [ 0.0013558100000000, 0.0000137800000000, 0.0002256600000000 ] - [ -0.0010983100000000, 0.0011396400000000, 0.0003916000000000 ] - [ -0.0006022900000000, 0.0014298800000000, 0.0000268300000000 ] - [ -0.0344197900000000, 0.0555027700000000, -0.0582735400000000 ] - [ -0.0002192500000000, -0.0009164400000000, -0.0001429900000000 ] - [ 0.0009579200000000, -0.0008066200000000, -0.0002909700000000 ] - [ 0.0004650100000000, -0.0003904400000000, 0.0000376600000000 ] - [ -0.0015451900000000, 0.0014403600000000, 0.0000461100000000 ] - [ -0.0007170000000000, 0.0007674500000000, -0.0003151000000000 ] - [ -0.0010785000000000, 0.0006536800000000, 0.0004631300000000 ] - [ -0.0008488200000000, 0.0005207100000000, 0.0001819200000000 ] - [ 0.0015142300000000, 0.0003122400000000, 0.0003402900000000 ] - [ 0.0000723900000000, -0.0007104100000000, 0.0001940600000000 ] - [ -0.0010367800000000, 0.0000423300000000, 0.0002698900000000 ] - [ -0.0012760100000000, 0.0005028400000000, 0.0006067000000000 ] - [ -0.0006131500000000, -0.0008731100000000, 0.0008917100000000 ] - [ -0.0009458800000000, 0.0008025000000000, -0.0013578500000000 ]- atom: 87 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ -0.0000960600000000, -0.0010037900000000, 0.0035637900000000 ] - [ 0.0024620400000000, 0.0004219300000000, -0.0038373500000000 ] - [ -0.0005738800000000, 0.0001955400000000, 0.0002999800000000 ] - [ -0.0007132800000000, 0.0001551000000000, 0.0002617100000000 ] - [ -0.0001586900000000, 0.0004870700000000, -0.0006586400000000 ] - [ -0.0001818400000000, 0.0003617100000000, 0.0011850800000000 ] - [ -0.0042515200000000, 0.0005971900000000, 0.0019520200000000 ] - [ -0.0004757200000000, -0.0005300100000000, -0.0000808800000000 ] - [ -0.0005978800000000, -0.0001404100000000, 0.0000590800000000 ] - [ -0.0002724400000000, 0.0005242500000000, -0.0000826500000000 ] - [ 0.0020320200000000, 0.0011541400000000, 0.0003908500000000 ] - [ 0.0007550800000000, 0.0000601700000000, 0.0000740700000000 ] - [ 0.0130211500000000, -0.0134440400000000, 0.0083897000000000 ] - [ 0.0028516500000000, -0.0002156500000000, -0.0033180200000000 ] - [ -0.0031001400000000, 0.0044693900000000, 0.0019867700000000 ] - [ -0.0008654100000000, 0.0021042100000000, -0.0012029800000000 ] - [ 0.0014321400000000, 0.0012479000000000, -0.0000032900000000 ] - [ 0.0012592800000000, 0.0010248500000000, 0.0002440000000000 ] - [ -0.0004854000000000, 0.0006252500000000, -0.0001945600000000 ] - [ -0.0006656000000000, 0.0003700300000000, -0.0003492600000000 ] - [ 0.0001244800000000, -0.0005010800000000, -0.0005847100000000 ] - [ 0.0001727600000000, -0.0005039000000000, -0.0006805300000000 ] - [ 0.0000372800000000, -0.0011454300000000, 0.0002773200000000 ] - [ -0.0009640400000000, -0.0012300000000000, -0.0007420000000000 ] - [ -0.0034194500000000, 0.0118531300000000, -0.0020817500000000 ] - [ 0.0000818500000000, 0.0001319700000000, 0.0002594800000000 ] - [ -0.0029791900000000, 0.0007602000000000, -0.0009109000000000 ] - [ -0.0002071600000000, -0.0000362900000000, 0.0022372100000000 ] - [ -0.0020082200000000, 0.0008793000000000, 0.0008863200000000 ] - [ -0.0001050400000000, 0.0000591600000000, 0.0004197500000000 ] - [ 0.0009501300000000, 0.0008970500000000, -0.0013328100000000 ] - [ 0.0000762500000000, 0.0004037600000000, 0.0002965400000000 ] - [ 0.0006309900000000, -0.0006120400000000, 0.0008692100000000 ] - [ 0.0002463800000000, -0.0002031100000000, -0.0004742400000000 ] - [ -0.0001071300000000, 0.0009511300000000, -0.0003663800000000 ] - [ -0.0001830600000000, 0.0008447000000000, -0.0004065000000000 ] - [ -0.0000860300000000, 0.0005152400000000, -0.0005309600000000 ] - [ 0.0002509300000000, 0.0010124800000000, -0.0009539400000000 ] - [ -0.0005439900000000, -0.0003333600000000, 0.0003223600000000 ] - [ -0.0004160600000000, -0.0002113100000000, 0.0003178500000000 ] - [ 0.0010249000000000, -0.0014565200000000, -0.0006132600000000 ] - [ 0.0000341500000000, -0.0011500400000000, -0.0004566000000000 ] - [ -0.0003974700000000, -0.0000112700000000, 0.0001848200000000 ] - [ -0.0001916200000000, -0.0002618400000000, -0.0002318900000000 ] - [ -0.0000747800000000, -0.0004038500000000, -0.0002167100000000 ] - [ -0.0005350600000000, -0.0004401500000000, -0.0005926200000000 ] - [ 0.0006348000000000, 0.0003825000000000, -0.0003379200000000 ] - [ 0.0006887700000000, 0.0004228700000000, -0.0004165000000000 ] - [ 0.0072067600000000, -0.0068343700000000, -0.0001794400000000 ] - [ -0.0003051000000000, -0.0001938700000000, -0.0007185000000000 ] - [ 0.0012539700000000, -0.0081472200000000, -0.0148580000000000 ] - [ -0.0002419000000000, -0.0002829900000000, 0.0006491400000000 ] - [ -0.0001888000000000, 0.0007658900000000, 0.0008258900000000 ] - [ 0.0002759400000000, 0.0002344700000000, 0.0004784200000000 ] - [ 0.0000278300000000, 0.0001460000000000, -0.0005990000000000 ] - [ -0.0005638100000000, 0.0003970100000000, -0.0005200600000000 ] - [ 0.0007742600000000, 0.0001909300000000, -0.0002911100000000 ] - [ 0.0007727800000000, -0.0005075900000000, -0.0003737200000000 ] - [ 0.0001559500000000, 0.0011425400000000, -0.0018663200000000 ] - [ -0.0002949200000000, 0.0002467300000000, 0.0004844100000000 ] - [ 0.0015758800000000, 0.0017323400000000, -0.0008663400000000 ] - [ 0.0004561600000000, 0.0006009500000000, -0.0006537500000000 ] - [ -0.0007490200000000, -0.0008397700000000, -0.0007057000000000 ] - [ -0.0008271500000000, -0.0008991900000000, -0.0005521400000000 ] - [ -0.0008171000000000, -0.0011136000000000, -0.0016063300000000 ] - [ 0.0001694700000000, -0.0000595500000000, -0.0009346400000000 ] - [ 0.0679079700000000, -0.2683499400000000, 0.0464426200000000 ] - [ -0.0003950200000000, -0.0021076100000000, -0.0012802800000000 ] - [ 0.0014834200000000, 0.0004682900000000, -0.0001752000000000 ] - [ 0.0019066600000000, 0.0015154100000000, -0.0013649900000000 ] - [ 0.0017532500000000, 0.0064054300000000, -0.0081205700000000 ] - [ 0.0000759300000000, 0.0006512000000000, -0.0013510000000000 ] - [ -0.0026335000000000, 0.0003131600000000, -0.0021970900000000 ] - [ -0.0013604900000000, 0.0027411300000000, 0.0006607400000000 ] - [ -0.0023136700000000, 0.0010843600000000, 0.0018422700000000 ] - [ -0.0007393400000000, 0.0031098700000000, -0.0010796900000000 ] - [ -0.0271351000000000, -0.0577305500000000, -0.0101986600000000 ] - [ 0.0001700900000000, 0.0013236700000000, 0.0009707800000000 ] - [ -0.0012768000000000, 0.0006633700000000, -0.0001210600000000 ] - [ -0.0005895300000000, 0.0019951600000000, 0.0006838700000000 ] - [ -0.0004467900000000, -0.0004620200000000, 0.0000232400000000 ] - [ -0.0003310200000000, -0.0009527500000000, 0.0012468800000000 ] - [ 0.0022296400000000, -0.0010715000000000, -0.0017650200000000 ] - [ 0.0010187900000000, -0.0011065700000000, 0.0010705800000000 ] - [ -0.0006694200000000, 0.0045435500000000, 0.0155898900000000 ] - [ -0.0012352900000000, 0.0028956400000000, -0.0017850300000000 ] - [ -0.0871910400000000, 0.4032263200000000, -0.0926465900000000 ] - [ 0.0001643100000000, 0.0013604200000000, -0.0001354600000000 ] - [ 0.0022515400000000, -0.0014949600000000, 0.0022612700000000 ] - [ 0.0001118200000000, -0.0011621900000000, -0.0002242600000000 ] - [ 0.0020267300000000, -0.0022217300000000, -0.0005576200000000 ] - [ 0.0002441200000000, -0.0010142800000000, 0.0001941300000000 ] - [ 0.0006097000000000, 0.0013078200000000, 0.0003624100000000 ] - [ 0.0006407700000000, 0.0013760800000000, 0.0002946800000000 ] - [ -0.0010217000000000, -0.0002660200000000, 0.0000039200000000 ] - [ -0.0009689400000000, -0.0005885000000000, 0.0002618100000000 ] - [ 0.0020250400000000, -0.0006561900000000, 0.0002047700000000 ] - [ 0.0011165200000000, -0.0007844100000000, -0.0002955000000000 ] - [ 0.0030167100000000, -0.0083659300000000, 0.0014552700000000 ] - [ 0.0006362900000000, 0.0002428500000000, 0.0001798400000000 ] - [ 0.0014405900000000, -0.0003497700000000, 0.0007209800000000 ] - [ 0.0012059700000000, -0.0010687200000000, -0.0022286200000000 ] - [ 0.0003311500000000, -0.0000259000000000, 0.0002905200000000 ] - [ -0.0002862600000000, -0.0001756000000000, 0.0004021700000000 ] - [ 0.0006917900000000, 0.0029145300000000, -0.0008160700000000 ] - [ -0.0005319600000000, 0.0004577400000000, 0.0004016400000000 ] - [ -0.0038028400000000, -0.0131716400000000, -0.0020824200000000 ] - [ -0.0000817300000000, -0.0003278800000000, 0.0012450400000000 ] - [ 0.0002468700000000, -0.0003131800000000, -0.0001744200000000 ] - [ -0.0010449700000000, -0.0007077700000000, 0.0014992200000000 ] - [ -0.0005958900000000, 0.0053988900000000, 0.0009715800000000 ] - [ 0.0009360900000000, 0.0005651100000000, 0.0003778500000000 ] - [ -0.0028742100000000, -0.0038564600000000, -0.0006021600000000 ] - [ -0.0001301000000000, -0.0006163900000000, 0.0000712600000000 ] - [ -0.0001649400000000, -0.0011939700000000, -0.0007128500000000 ] - [ -0.0008342100000000, -0.0018524900000000, 0.0014433200000000 ] - [ 0.0018008800000000, -0.0040700600000000, 0.0033708000000000 ] - [ 0.0004631300000000, -0.0007254000000000, 0.0003857700000000 ] - [ -0.0007694500000000, -0.0013182900000000, 0.0016742700000000 ] - [ -0.0003486300000000, -0.0009119700000000, 0.0001172000000000 ] - [ 0.0005979300000000, -0.0016688900000000, -0.0008751200000000 ] - [ 0.0001035500000000, -0.0019501600000000, -0.0005123600000000 ] - [ 0.0332695900000000, -0.0541819200000000, 0.0575888700000000 ] - [ -0.0002968800000000, 0.0010076500000000, 0.0008988900000000 ] - [ -0.0007679300000000, 0.0003275600000000, 0.0010565100000000 ] - [ -0.0002903300000000, -0.0000988200000000, 0.0007267800000000 ] - [ 0.0005469300000000, -0.0005018000000000, 0.0002787000000000 ] - [ -0.0002877300000000, 0.0001673800000000, 0.0006362500000000 ] - [ -0.0002754600000000, 0.0006842200000000, 0.0002068700000000 ] - [ -0.0005065500000000, 0.0008211000000000, 0.0004843400000000 ] - [ -0.0019907400000000, -0.0021536100000000, 0.0003291100000000 ] - [ -0.0005553400000000, -0.0011344100000000, 0.0004728200000000 ] - [ -0.0007977800000000, -0.0005263400000000, 0.0003922500000000 ] - [ -0.0005615700000000, -0.0009849200000000, 0.0000544700000000 ] - [ 0.0009804900000000, 0.0003299800000000, -0.0006564400000000 ] - [ 0.0013068000000000, -0.0013332500000000, 0.0015791100000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006686600000000, -0.0025764100000000, -0.0001898900000000 ] - [ 0.0016636100000000, 0.0014793300000000, -0.0018180000000000 ] - [ -0.0004886300000000, 0.0001892400000000, 0.0005230900000000 ] - [ -0.0009150100000000, 0.0000828300000000, -0.0001351000000000 ] - [ 0.0000826700000000, 0.0005107400000000, 0.0004302100000000 ] - [ 0.0001923400000000, -0.0008755400000000, -0.0001923600000000 ] - [ -0.0022177400000000, 0.0001592400000000, 0.0019818700000000 ] - [ -0.0002839500000000, -0.0005063700000000, -0.0004183600000000 ] - [ -0.0003217600000000, 0.0007571000000000, 0.0027181200000000 ] - [ -0.0004149600000000, 0.0007931200000000, -0.0010726400000000 ] - [ 0.0004423600000000, -0.0004780400000000, 0.0007226000000000 ] - [ 0.0005741400000000, -0.0001342600000000, -0.0002374000000000 ] - [ 0.0082682500000000, -0.0028754700000000, 0.0196210100000000 ] - [ 0.0068600100000000, 0.0022152200000000, -0.0072618900000000 ] - [ -0.0001658100000000, 0.0010301600000000, 0.0013767000000000 ] - [ 0.0002761600000000, 0.0004820400000000, -0.0019608000000000 ] - [ 0.0008495500000000, 0.0007003600000000, 0.0000663100000000 ] - [ -0.0003558800000000, -0.0004366800000000, 0.0007086600000000 ] - [ -0.0007982300000000, 0.0003052900000000, -0.0002127000000000 ] - [ -0.0008334100000000, 0.0003357100000000, -0.0004865000000000 ] - [ 0.0000935000000000, -0.0001025200000000, -0.0004791800000000 ] - [ 0.0001538800000000, -0.0005111100000000, -0.0007902200000000 ] - [ 0.0002990000000000, -0.0012997000000000, 0.0001366900000000 ] - [ -0.0007147000000000, 0.0001276200000000, 0.0002652700000000 ] - [ 0.0027226700000000, -0.0025444600000000, 0.0012051400000000 ] - [ 0.0000843800000000, 0.0000873000000000, 0.0002306400000000 ] - [ -0.0087009600000000, 0.0024811300000000, 0.0006824900000000 ] - [ 0.0015884400000000, -0.0005457100000000, -0.0002643600000000 ] - [ 0.0003566600000000, -0.0001768700000000, 0.0005415600000000 ] - [ 0.0000807900000000, -0.0000591500000000, 0.0002630100000000 ] - [ 0.0003006600000000, 0.0010386300000000, 0.0017618700000000 ] - [ 0.0002470500000000, 0.0005305300000000, -0.0015374300000000 ] - [ 0.0017134600000000, -0.0001742700000000, 0.0020563000000000 ] - [ 0.0001977800000000, -0.0005034600000000, -0.0017031900000000 ] - [ -0.0001283200000000, 0.0008201300000000, -0.0002435200000000 ] - [ -0.0001960400000000, 0.0008328900000000, -0.0005210700000000 ] - [ -0.0001219100000000, 0.0000407900000000, -0.0005919400000000 ] - [ -0.0002205400000000, 0.0002860700000000, -0.0005673500000000 ] - [ -0.0006693400000000, -0.0004153700000000, 0.0004389200000000 ] - [ -0.0003777300000000, -0.0002152700000000, 0.0002226600000000 ] - [ 0.0001615200000000, -0.0007265700000000, -0.0000248600000000 ] - [ -0.0000858200000000, -0.0009795800000000, -0.0005674800000000 ] - [ 0.0000440400000000, -0.0003246600000000, 0.0007079700000000 ] - [ -0.0002546700000000, -0.0002720600000000, -0.0004363900000000 ] - [ -0.0008376200000000, -0.0006005500000000, -0.0002625100000000 ] - [ -0.0006730600000000, -0.0005378200000000, -0.0005154900000000 ] - [ 0.0005428300000000, 0.0004817900000000, -0.0002067000000000 ] - [ 0.0006565300000000, 0.0004413500000000, -0.0005377300000000 ] - [ -0.0004769000000000, -0.0009035800000000, 0.0002803200000000 ] - [ -0.0005399700000000, 0.0001042200000000, -0.0009056500000000 ] - [ -0.0027143300000000, 0.0085277500000000, -0.0194622900000000 ] - [ -0.0006269900000000, 0.0003561400000000, -0.0029315300000000 ] - [ 0.0002039000000000, 0.0003274300000000, 0.0006773700000000 ] - [ 0.0003541400000000, 0.0001543200000000, -0.0000052700000000 ] - [ 0.0004082100000000, 0.0000000100000000, -0.0006300500000000 ] - [ -0.0001644700000000, 0.0002169300000000, -0.0005888400000000 ] - [ 0.0004083000000000, -0.0005657000000000, -0.0003475100000000 ] - [ 0.0007728100000000, -0.0002763700000000, -0.0005081700000000 ] - [ 0.0000039500000000, 0.0006298100000000, 0.0007824900000000 ] - [ -0.0002477200000000, 0.0002244900000000, -0.0000328600000000 ] - [ -0.0001476000000000, 0.0001629800000000, -0.0005133600000000 ] - [ 0.0003637600000000, 0.0004496300000000, -0.0007600800000000 ] - [ -0.0010275200000000, -0.0009363100000000, -0.0007406600000000 ] - [ 0.0001235900000000, -0.0001265500000000, -0.0005912200000000 ] - [ -0.0014013200000000, 0.0020577400000000, 0.0011864000000000 ] - [ 0.0005034500000000, -0.0005183300000000, -0.0016043500000000 ] - [ 0.0169210000000000, -0.0505645900000000, 0.1019418500000000 ] - [ -0.0017060500000000, -0.0007175700000000, -0.0029924400000000 ] - [ 0.0003155200000000, -0.0005468200000000, -0.0000762000000000 ] - [ -0.0000414100000000, 0.0000326700000000, -0.0009862700000000 ] - [ -0.0029490700000000, -0.0012252500000000, 0.0029120400000000 ] - [ 0.0009133400000000, 0.0011357200000000, -0.0024636300000000 ] - [ -0.0017404600000000, 0.0034487000000000, 0.0010960200000000 ] - [ 0.0007677900000000, -0.0012990800000000, -0.0014229400000000 ] - [ -0.0006878800000000, 0.0000409600000000, 0.0000291000000000 ] - [ 0.0002727000000000, 0.0020746200000000, -0.0016746500000000 ] - [ 0.0032312500000000, 0.0258373300000000, -0.0214711100000000 ] - [ 0.0006239800000000, 0.0011289400000000, 0.0013977600000000 ] - [ -0.0025634200000000, 0.0003427800000000, -0.0005120100000000 ] - [ 0.0010140500000000, -0.0009247200000000, 0.0024677400000000 ] - [ -0.0001215100000000, 0.0003160100000000, -0.0001179700000000 ] - [ -0.0000434400000000, 0.0000768200000000, 0.0009539700000000 ] - [ 0.0002784700000000, 0.0000365200000000, -0.0006523100000000 ] - [ 0.0001824800000000, -0.0006037900000000, 0.0013159800000000 ] - [ 0.0043533700000000, -0.0058864300000000, 0.0453518900000000 ] - [ -0.0009792700000000, 0.0007598500000000, 0.0050673000000000 ] - [ -0.0646794100000000, 0.0731962100000000, -0.1379222800000000 ] - [ 0.0003840400000000, 0.0002279000000000, 0.0028356600000000 ] - [ 0.0006135800000000, -0.0016228600000000, -0.0005759100000000 ] - [ -0.0002242600000000, 0.0001942600000000, 0.0011688600000000 ] - [ -0.0002646400000000, -0.0010978500000000, -0.0006347300000000 ] - [ 0.0000926500000000, -0.0007835000000000, 0.0007068200000000 ] - [ 0.0008409900000000, 0.0012882500000000, 0.0003756800000000 ] - [ 0.0002571500000000, 0.0008094700000000, 0.0003462300000000 ] - [ -0.0003895500000000, 0.0002588600000000, 0.0000991800000000 ] - [ 0.0005157800000000, 0.0005485900000000, 0.0000945400000000 ] - [ 0.0015944200000000, -0.0010604800000000, -0.0002602300000000 ] - [ -0.0005722200000000, 0.0008276900000000, -0.0002336200000000 ] - [ -0.0009875300000000, 0.0020774700000000, -0.0011265600000000 ] - [ 0.0004731700000000, 0.0004306800000000, 0.0006958100000000 ] - [ 0.0042935500000000, -0.0025130200000000, 0.0000344800000000 ] - [ -0.0016603900000000, 0.0009489600000000, 0.0007168300000000 ] - [ 0.0010912000000000, -0.0007609900000000, -0.0008614100000000 ] - [ -0.0006025500000000, -0.0001039900000000, 0.0008475000000000 ] - [ -0.0006319800000000, -0.0001472300000000, -0.0039059500000000 ] - [ -0.0007476600000000, 0.0006748700000000, 0.0015569400000000 ] - [ 0.0008920900000000, 0.0049790800000000, -0.0014515400000000 ] - [ -0.0006232900000000, -0.0012842300000000, 0.0022319100000000 ] - [ 0.0009773200000000, 0.0000084200000000, 0.0003950100000000 ] - [ 0.0004018400000000, -0.0009120000000000, 0.0001869200000000 ] - [ 0.0015996700000000, 0.0012307000000000, -0.0007910900000000 ] - [ 0.0011091600000000, 0.0001229400000000, 0.0008401200000000 ] - [ 0.0006807400000000, -0.0009608300000000, -0.0039087100000000 ] - [ -0.0005443300000000, -0.0007986900000000, 0.0015557600000000 ] - [ 0.0002084900000000, 0.0000539900000000, -0.0002399500000000 ] - [ 0.0002121900000000, -0.0005282200000000, -0.0002495600000000 ] - [ 0.0003761000000000, 0.0012328800000000, -0.0013668500000000 ] - [ 0.0004988600000000, -0.0009802000000000, 0.0012258500000000 ] - [ -0.0004543400000000, -0.0018468800000000, -0.0004493400000000 ] - [ 0.0006088200000000, 0.0020919200000000, 0.0028124800000000 ] - [ -0.0000751700000000, -0.0004839200000000, -0.0002283000000000 ] - [ -0.0004210100000000, -0.0011004600000000, -0.0002233900000000 ] - [ 0.0325788700000000, -0.0548343500000000, 0.0124197400000000 ] - [ 0.0001203000000000, 0.0006571900000000, 0.0027815400000000 ] - [ 0.0022391900000000, -0.0005086400000000, -0.0013980300000000 ] - [ -0.0007318300000000, 0.0000668100000000, 0.0012056800000000 ] - [ -0.0002984100000000, 0.0007025800000000, -0.0005165500000000 ] - [ -0.0003932600000000, 0.0002122800000000, 0.0010262000000000 ] - [ -0.0003774300000000, 0.0005371800000000, 0.0000053900000000 ] - [ -0.0005160000000000, 0.0008359400000000, 0.0006895300000000 ] - [ 0.0001251400000000, -0.0006876100000000, 0.0000661900000000 ] - [ -0.0003700400000000, -0.0009365000000000, 0.0006265300000000 ] - [ -0.0008393000000000, -0.0002756700000000, 0.0003022500000000 ] - [ -0.0005821900000000, -0.0002907100000000, 0.0003573000000000 ] - [ 0.0002269300000000, 0.0002590700000000, 0.0000102700000000 ] - [ 0.0007929500000000, -0.0016393300000000, 0.0012319100000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001224300000000, 0.0032318000000000, 0.0006657400000000 ] - [ -0.0008513700000000, -0.0007930800000000, 0.0022151800000000 ] - [ -0.0004958600000000, 0.0001543100000000, -0.0000880100000000 ] - [ -0.0000708700000000, 0.0002600600000000, 0.0005649900000000 ] - [ 0.0001068000000000, -0.0015670900000000, 0.0000165300000000 ] - [ -0.0000022100000000, -0.0001897100000000, 0.0006369800000000 ] - [ 0.0013873700000000, -0.0008385100000000, -0.0015374400000000 ] - [ -0.0005174600000000, -0.0001831300000000, 0.0008488000000000 ] - [ 0.0000954500000000, 0.0003077000000000, -0.0022665800000000 ] - [ 0.0002139600000000, 0.0002801800000000, 0.0015086700000000 ] - [ 0.0005572300000000, 0.0001488900000000, -0.0002908000000000 ] - [ 0.0004180900000000, -0.0002051300000000, 0.0006668100000000 ] - [ -0.0088842400000000, 0.0024906100000000, -0.0207873900000000 ] - [ -0.0067682000000000, -0.0021965400000000, 0.0065629500000000 ] - [ 0.0001355300000000, -0.0009923500000000, -0.0019810000000000 ] - [ -0.0002846900000000, -0.0004681800000000, 0.0013125600000000 ] - [ -0.0001819600000000, -0.0002895300000000, 0.0006217900000000 ] - [ 0.0010186500000000, 0.0008450300000000, -0.0000176900000000 ] - [ -0.0007309600000000, 0.0003929000000000, -0.0005064700000000 ] - [ -0.0006977000000000, 0.0003616900000000, -0.0002322700000000 ] - [ 0.0003148400000000, -0.0005513800000000, -0.0007766000000000 ] - [ 0.0002530500000000, -0.0001428900000000, -0.0004676200000000 ] - [ -0.0002777600000000, 0.0005185600000000, 0.0005536600000000 ] - [ 0.0007281500000000, -0.0009014000000000, 0.0004212200000000 ] - [ -0.0027806800000000, 0.0034452100000000, -0.0005575300000000 ] - [ -0.0001010000000000, 0.0006721100000000, 0.0004621900000000 ] - [ 0.0079455900000000, -0.0020970200000000, 0.0000423000000000 ] - [ -0.0022729900000000, 0.0009189700000000, 0.0009651900000000 ] - [ 0.0003071200000000, -0.0001870400000000, 0.0001536800000000 ] - [ 0.0005855000000000, -0.0003060900000000, 0.0004295500000000 ] - [ -0.0001863700000000, -0.0003704700000000, -0.0011910100000000 ] - [ -0.0001355800000000, 0.0001307700000000, 0.0020983100000000 ] - [ -0.0011836000000000, -0.0002524400000000, -0.0014763600000000 ] - [ 0.0003229400000000, 0.0000757900000000, 0.0022589800000000 ] - [ -0.0000332000000000, 0.0008550600000000, -0.0004736900000000 ] - [ 0.0000321200000000, 0.0008415400000000, -0.0001996900000000 ] - [ -0.0002830500000000, 0.0006114500000000, -0.0006631700000000 ] - [ -0.0001824900000000, 0.0003736800000000, -0.0006930700000000 ] - [ 0.0000164200000000, 0.0000172300000000, 0.0002541000000000 ] - [ -0.0002762900000000, -0.0001817800000000, 0.0004696400000000 ] - [ 0.0000123500000000, -0.0009497700000000, -0.0007011900000000 ] - [ 0.0002469800000000, -0.0006995300000000, -0.0001524100000000 ] - [ -0.0001544600000000, -0.0003347600000000, -0.0001436400000000 ] - [ 0.0001441400000000, -0.0003887200000000, 0.0010010100000000 ] - [ -0.0005236200000000, -0.0003752900000000, -0.0004522500000000 ] - [ -0.0006936100000000, -0.0004412600000000, -0.0002076800000000 ] - [ 0.0008273000000000, 0.0004970100000000, -0.0005137100000000 ] - [ 0.0007119400000000, 0.0005376100000000, -0.0001820100000000 ] - [ -0.0002045400000000, 0.0008312200000000, -0.0015258400000000 ] - [ -0.0002310800000000, -0.0001328800000000, -0.0003537800000000 ] - [ 0.0020228800000000, -0.0085879300000000, 0.0201531700000000 ] - [ -0.0000005000000000, -0.0005964000000000, 0.0034938900000000 ] - [ 0.0004196400000000, -0.0000871500000000, -0.0001093900000000 ] - [ 0.0002717000000000, 0.0000852300000000, 0.0005763200000000 ] - [ 0.0003574000000000, 0.0000283000000000, -0.0006266000000000 ] - [ 0.0009279800000000, -0.0001880500000000, -0.0006683200000000 ] - [ 0.0011246200000000, -0.0001329900000000, -0.0003625700000000 ] - [ 0.0007594100000000, -0.0004212100000000, -0.0002128600000000 ] - [ -0.0005216000000000, -0.0002011900000000, -0.0002422800000000 ] - [ -0.0002728500000000, 0.0002008100000000, 0.0006039800000000 ] - [ 0.0005161500000000, 0.0005234500000000, -0.0007439700000000 ] - [ 0.0000010400000000, 0.0002325600000000, -0.0004974300000000 ] - [ 0.0006587800000000, 0.0002504300000000, -0.0005147700000000 ] - [ -0.0004867900000000, -0.0005553300000000, -0.0006672200000000 ] - [ 0.0014333400000000, -0.0014923700000000, -0.0022191900000000 ] - [ -0.0004561400000000, 0.0011031100000000, 0.0005830000000000 ] - [ -0.0164846400000000, 0.0500915200000000, -0.1021462200000000 ] - [ 0.0021897900000000, 0.0003642100000000, 0.0019661300000000 ] - [ -0.0003338800000000, -0.0000347200000000, -0.0009295900000000 ] - [ 0.0000196100000000, -0.0006021500000000, -0.0000381200000000 ] - [ 0.0024126200000000, 0.0009775400000000, -0.0039287200000000 ] - [ -0.0014263300000000, -0.0013880100000000, 0.0014328200000000 ] - [ 0.0022370700000000, -0.0031456200000000, -0.0020906200000000 ] - [ -0.0002577500000000, 0.0015749900000000, 0.0004098400000000 ] - [ 0.0001685800000000, 0.0002807000000000, -0.0010127900000000 ] - [ -0.0007738800000000, -0.0017407000000000, 0.0006624500000000 ] - [ -0.0036276000000000, -0.0257599300000000, 0.0214904000000000 ] - [ -0.0009823100000000, -0.0005766700000000, -0.0011521300000000 ] - [ 0.0012318500000000, -0.0007310700000000, 0.0008292400000000 ] - [ -0.0023258200000000, 0.0005343100000000, -0.0021331200000000 ] - [ -0.0000517300000000, 0.0001658100000000, 0.0008825300000000 ] - [ -0.0001274200000000, 0.0003994900000000, -0.0001723900000000 ] - [ 0.0002546400000000, -0.0001402200000000, 0.0013984200000000 ] - [ 0.0003335600000000, 0.0004997500000000, -0.0005422000000000 ] - [ -0.0039551300000000, 0.0070697600000000, -0.0438280400000000 ] - [ 0.0012730400000000, 0.0006006100000000, -0.0047845300000000 ] - [ 0.0663776100000000, -0.0723541800000000, 0.1358552300000000 ] - [ 0.0001119600000000, 0.0003191900000000, -0.0033072200000000 ] - [ -0.0009327000000000, 0.0012210200000000, 0.0013365400000000 ] - [ -0.0001008600000000, -0.0005856600000000, -0.0003979000000000 ] - [ -0.0000271000000000, -0.0002527300000000, 0.0009544900000000 ] - [ -0.0003896300000000, -0.0005633300000000, -0.0003835600000000 ] - [ -0.0003522100000000, 0.0005665300000000, 0.0002886200000000 ] - [ 0.0002286100000000, 0.0010433000000000, 0.0003240900000000 ] - [ 0.0006615200000000, 0.0003242100000000, 0.0001307800000000 ] - [ -0.0002369700000000, 0.0000309500000000, 0.0001434800000000 ] - [ -0.0017839900000000, 0.0017376100000000, -0.0002264500000000 ] - [ 0.0003699500000000, -0.0001370300000000, -0.0002470900000000 ] - [ 0.0023304100000000, -0.0017684300000000, 0.0014756900000000 ] - [ 0.0008387600000000, -0.0000269300000000, -0.0003730100000000 ] - [ -0.0048814900000000, 0.0024408800000000, 0.0001907000000000 ] - [ 0.0010258900000000, -0.0010008000000000, -0.0004892200000000 ] - [ -0.0013787600000000, 0.0001785500000000, 0.0010993000000000 ] - [ 0.0003081400000000, -0.0004836100000000, -0.0006065400000000 ] - [ -0.0000542300000000, 0.0003383300000000, 0.0034196900000000 ] - [ 0.0000357900000000, -0.0005030800000000, -0.0020298900000000 ] - [ -0.0005677000000000, -0.0046058200000000, 0.0022161000000000 ] - [ 0.0009480800000000, 0.0016553300000000, -0.0014458200000000 ] - [ 0.0003771300000000, -0.0013482600000000, 0.0002627000000000 ] - [ 0.0009391500000000, -0.0004395200000000, 0.0004958900000000 ] - [ 0.0001880300000000, -0.0007115200000000, 0.0014433700000000 ] - [ 0.0007312300000000, 0.0003635600000000, -0.0001785200000000 ] - [ -0.0004769500000000, 0.0002298100000000, 0.0034168700000000 ] - [ 0.0007486600000000, 0.0000937200000000, -0.0020310400000000 ] - [ 0.0004873900000000, -0.0002312000000000, -0.0002531400000000 ] - [ 0.0004795800000000, 0.0003469400000000, -0.0002159800000000 ] - [ 0.0002727000000000, -0.0011938200000000, 0.0016004400000000 ] - [ 0.0001489900000000, 0.0010138100000000, -0.0009836000000000 ] - [ 0.0014437300000000, 0.0008946700000000, 0.0007726800000000 ] - [ 0.0003946900000000, -0.0030339700000000, -0.0024903100000000 ] - [ -0.0004146100000000, -0.0000564300000000, -0.0002657100000000 ] - [ -0.0000750000000000, 0.0005616100000000, -0.0002610400000000 ] - [ -0.0335627400000000, 0.0555568200000000, -0.0114495100000000 ] - [ -0.0006325300000000, -0.0005409500000000, -0.0019991600000000 ] - [ -0.0020950200000000, 0.0000222200000000, 0.0021879300000000 ] - [ 0.0008880500000000, -0.0005553500000000, -0.0004294900000000 ] - [ -0.0007027900000000, 0.0002246100000000, 0.0008392000000000 ] - [ -0.0006107400000000, 0.0007170400000000, -0.0006986900000000 ] - [ -0.0009811400000000, 0.0008099000000000, 0.0006592600000000 ] - [ -0.0008394500000000, 0.0005125200000000, -0.0000211400000000 ] - [ -0.0006248500000000, -0.0011731200000000, 0.0005992300000000 ] - [ -0.0001197500000000, -0.0009157100000000, 0.0000423200000000 ] - [ -0.0009975300000000, -0.0002116300000000, 0.0003557800000000 ] - [ -0.0012547100000000, -0.0001969300000000, 0.0003030900000000 ] - [ 0.0001493000000000, -0.0007794400000000, 0.0002119700000000 ] - [ -0.0004193800000000, 0.0011021400000000, -0.0009924400000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006136400000000, 0.0005859400000000, 0.0001347500000000 ] - [ 0.0002192900000000, 0.0004015500000000, 0.0001833600000000 ] - [ 0.0057597500000000, -0.0032906400000000, 0.0001069900000000 ] - [ -0.0002948700000000, 0.0004038600000000, -0.0001845000000000 ] - [ -0.0005532400000000, -0.0015208000000000, 0.0004583200000000 ] - [ 0.0000407500000000, -0.0006821600000000, 0.0001620400000000 ] - [ -0.0007916200000000, -0.0005827700000000, 0.0005087000000000 ] - [ -0.0013814900000000, -0.0009677600000000, -0.0002410900000000 ] - [ -0.0003000300000000, 0.0004380100000000, -0.0007341400000000 ] - [ -0.0003865600000000, -0.0000265400000000, 0.0017862100000000 ] - [ 0.0005198300000000, 0.0000409200000000, 0.0001303100000000 ] - [ 0.0004718300000000, 0.0004040200000000, 0.0002427600000000 ] - [ -0.0011584000000000, 0.0000472800000000, -0.0005882200000000 ] - [ -0.0039579200000000, 0.0005435000000000, 0.0000908200000000 ] - [ 0.0009077600000000, -0.0025926600000000, -0.0010809300000000 ] - [ -0.0000200500000000, -0.0002189300000000, -0.0002775900000000 ] - [ 0.0005632700000000, 0.0005386700000000, 0.0003581100000000 ] - [ 0.0003593600000000, 0.0002850000000000, 0.0003215500000000 ] - [ -0.0006121100000000, 0.0003115600000000, -0.0003594100000000 ] - [ 0.0000643300000000, 0.0001156200000000, -0.0004648100000000 ] - [ 0.0005108500000000, 0.0001896100000000, 0.0004125700000000 ] - [ 0.0001649300000000, -0.0003708400000000, -0.0017357800000000 ] - [ -0.0014227400000000, -0.0012129900000000, 0.0005877100000000 ] - [ -0.0000451900000000, -0.0005738600000000, 0.0002641000000000 ] - [ -0.0001415500000000, 0.0006121800000000, 0.0002995200000000 ] - [ -0.0001555100000000, 0.0005322700000000, 0.0003800900000000 ] - [ -0.0051002500000000, 0.0019505900000000, -0.0008231100000000 ] - [ -0.0004426400000000, 0.0001673300000000, 0.0003098400000000 ] - [ 0.0002001400000000, -0.0004168000000000, 0.0002866600000000 ] - [ 0.0003234900000000, -0.0003916900000000, 0.0003431200000000 ] - [ -0.0001093500000000, 0.0003610300000000, 0.0004390000000000 ] - [ -0.0000186000000000, 0.0003848600000000, 0.0002686900000000 ] - [ 0.0000046500000000, -0.0000608800000000, 0.0014106200000000 ] - [ 0.0000513300000000, -0.0003214900000000, -0.0004529000000000 ] - [ 0.0006092900000000, -0.0001871100000000, 0.0007111200000000 ] - [ 0.0005188600000000, 0.0005631700000000, -0.0002284300000000 ] - [ 0.0002845600000000, 0.0017497500000000, -0.0007075400000000 ] - [ -0.0001927800000000, 0.0005154400000000, -0.0006625500000000 ] - [ 0.0005262000000000, 0.0003993800000000, 0.0004523600000000 ] - [ 0.0010446300000000, 0.0012272200000000, 0.0002593500000000 ] - [ 0.0001444800000000, -0.0006922100000000, -0.0006040900000000 ] - [ -0.0011151800000000, 0.0007111600000000, 0.0012159800000000 ] - [ -0.0001024000000000, -0.0003388400000000, 0.0000138300000000 ] - [ 0.0007578600000000, -0.0001722000000000, 0.0018316300000000 ] - [ -0.0003563800000000, -0.0001186700000000, -0.0005639300000000 ] - [ -0.0005383700000000, -0.0003941400000000, -0.0003486800000000 ] - [ 0.0009237900000000, 0.0005838100000000, -0.0002835300000000 ] - [ 0.0383143500000000, 0.0512521000000000, 0.0524960300000000 ] - [ -0.0011963300000000, 0.0004523900000000, -0.0007655900000000 ] - [ -0.0008547600000000, 0.0001851700000000, -0.0006288300000000 ] - [ -0.0005425300000000, -0.0000206100000000, -0.0004358400000000 ] - [ -0.0004138200000000, -0.0001450400000000, 0.0003564900000000 ] - [ 0.0003217000000000, 0.0000794000000000, 0.0000212500000000 ] - [ 0.0002394400000000, -0.0001704000000000, 0.0002454200000000 ] - [ -0.0002371800000000, -0.0016238500000000, -0.0007444900000000 ] - [ 0.0003786900000000, -0.0000965800000000, -0.0006673100000000 ] - [ 0.0008390400000000, 0.0002571000000000, -0.0028531400000000 ] - [ 0.0014214700000000, -0.0003343600000000, -0.0005430200000000 ] - [ -0.0002630000000000, 0.0002566300000000, 0.0000587800000000 ] - [ -0.0003541000000000, 0.0002236100000000, 0.0004662800000000 ] - [ 0.0003164500000000, 0.0002543600000000, -0.0005540300000000 ] - [ 0.0002966900000000, 0.0002288700000000, -0.0007146200000000 ] - [ 0.2668340900000000, 0.1192091800000000, -0.0717106200000000 ] - [ 0.0000778000000000, -0.0002647200000000, -0.0006675000000000 ] - [ -0.0006070100000000, 0.0008383100000000, 0.0002113500000000 ] - [ -0.0025946300000000, 0.0000252400000000, -0.0017070600000000 ] - [ -0.0006227400000000, -0.0001322100000000, -0.0012713000000000 ] - [ -0.0006091400000000, -0.0001886900000000, -0.0010474800000000 ] - [ 0.0000582100000000, 0.0003333600000000, -0.0009392600000000 ] - [ -0.0000034600000000, 0.0000615400000000, -0.0008239300000000 ] - [ -0.0007326500000000, -0.0000747900000000, -0.0005051500000000 ] - [ -0.0010952900000000, -0.0006506500000000, 0.0004782500000000 ] - [ 0.0111756000000000, -0.0133140200000000, -0.0084737800000000 ] - [ 0.0005847800000000, -0.0001575200000000, -0.0005419300000000 ] - [ -0.0020713900000000, -0.0031090000000000, 0.0012964900000000 ] - [ -0.0004649100000000, -0.0004584100000000, -0.0004718700000000 ] - [ 0.0005743500000000, 0.0002628000000000, 0.0005357500000000 ] - [ 0.0004563300000000, 0.0003838300000000, 0.0002792300000000 ] - [ 0.0022685400000000, -0.0004229600000000, -0.0005997000000000 ] - [ -0.0003301200000000, -0.0001135300000000, 0.0007849900000000 ] - [ -0.0003626400000000, -0.0003115300000000, 0.0006107000000000 ] - [ -0.0001274500000000, -0.0001355500000000, 0.0006332600000000 ] - [ 0.0013169900000000, 0.0007545800000000, -0.0005297900000000 ] - [ 0.0004558000000000, 0.0001652700000000, 0.0004452400000000 ] - [ 0.0039793200000000, -0.0000784600000000, 0.0007625500000000 ] - [ 0.0003842800000000, 0.0007349100000000, 0.0001341600000000 ] - [ 0.0007527200000000, 0.0001302700000000, 0.0003547300000000 ] - [ 0.0009249700000000, 0.0001946200000000, -0.0002297500000000 ] - [ -0.0007486500000000, 0.0045522600000000, 0.0053525800000000 ] - [ -0.0002052100000000, 0.0000322200000000, 0.0002969900000000 ] - [ 0.0000215700000000, -0.0002042400000000, 0.0004772500000000 ] - [ -0.0000069300000000, -0.0002493200000000, 0.0002028800000000 ] - [ -0.3312777900000000, -0.1823333000000000, 0.0169662500000000 ] - [ -0.0002078700000000, 0.0008314000000000, 0.0004057100000000 ] - [ 0.0002044300000000, -0.0007675500000000, 0.0000841700000000 ] - [ 0.0002036900000000, 0.0001049800000000, 0.0002322900000000 ] - [ -0.0053611800000000, 0.0038570900000000, -0.0007284000000000 ] - [ -0.0003753000000000, 0.0003938200000000, -0.0000447700000000 ] - [ 0.0006332700000000, 0.0001286300000000, 0.0004562900000000 ] - [ 0.0008200200000000, 0.0000522000000000, -0.0000036700000000 ] - [ 0.0143577800000000, 0.0235709400000000, 0.0059458400000000 ] - [ -0.0004885100000000, 0.0001132200000000, 0.0003027100000000 ] - [ -0.0001829600000000, -0.0009531200000000, -0.0010295300000000 ] - [ 0.0007571500000000, -0.0016845100000000, 0.0013772500000000 ] - [ -0.0001620900000000, -0.0001389300000000, -0.0009822300000000 ] - [ 0.0009042000000000, 0.0003898600000000, 0.0000962300000000 ] - [ 0.0004956100000000, 0.0003087700000000, 0.0004602000000000 ] - [ 0.0011942200000000, 0.0007786800000000, -0.0003823800000000 ] - [ 0.0022762700000000, -0.0039376700000000, -0.0000188700000000 ] - [ 0.0006207500000000, -0.0009044600000000, 0.0004455300000000 ] - [ 0.0014517900000000, -0.0004221400000000, 0.0019522900000000 ] - [ 0.0008372100000000, 0.0000808300000000, -0.0009828000000000 ] - [ 0.0004105000000000, -0.0004949700000000, -0.0003109300000000 ] - [ 0.0009292500000000, -0.0005939100000000, -0.0004540600000000 ] - [ 0.0001957000000000, -0.0002409800000000, -0.0002114400000000 ] - [ 0.0002355500000000, -0.0002666100000000, -0.0000230500000000 ] - [ 0.0005132200000000, 0.0001035800000000, 0.0002318900000000 ] - [ 0.0003867200000000, 0.0003784600000000, -0.0001026000000000 ] - [ 0.0007693100000000, -0.0007931700000000, -0.0000476100000000 ] - [ 0.0006002000000000, -0.0005476500000000, 0.0002315000000000 ] - [ 0.0000716200000000, 0.0019477200000000, -0.0006193100000000 ] - [ -0.0002235600000000, 0.0001106400000000, -0.0001187400000000 ] - [ 0.0004227100000000, -0.0000289400000000, 0.0009080000000000 ] - [ 0.0006775100000000, 0.0000434500000000, 0.0006096100000000 ] - [ 0.0003626000000000, -0.0008108000000000, -0.0000019700000000 ] - [ 0.0014741400000000, -0.0009738200000000, 0.0014813600000000 ] - [ -0.0012597600000000, 0.0001912000000000, 0.0006345200000000 ] - [ -0.0017678000000000, -0.0001400300000000, -0.0009404500000000 ] - [ -0.0010999800000000, 0.0010274600000000, -0.0012658700000000 ] - [ -0.0011638700000000, 0.0019330900000000, 0.0021485500000000 ] - [ -0.0005745100000000, -0.0010830800000000, 0.0004064200000000 ] - [ -0.0005745200000000, -0.0010196100000000, 0.0002968400000000 ] - [ -0.0014712400000000, 0.0017902600000000, 0.0003335000000000 ] - [ -0.0010612200000000, -0.0000602100000000, 0.0004487600000000 ] - [ 0.0023029000000000, 0.0024014900000000, -0.0009915300000000 ] - [ 0.0004342200000000, 0.0001163400000000, 0.0001009300000000 ]- atom: 93 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014223100000000, 0.0001012400000000, 0.0002995600000000 ] - [ 0.0005850700000000, 0.0002843000000000, 0.0002515500000000 ] - [ -0.0066336700000000, 0.0033837500000000, 0.0002244900000000 ] - [ -0.0006933800000000, -0.0000602600000000, 0.0006171800000000 ] - [ 0.0007426000000000, 0.0004465900000000, -0.0000130300000000 ] - [ 0.0001511500000000, -0.0003902200000000, 0.0002843200000000 ] - [ -0.0000110400000000, -0.0001037700000000, -0.0000739200000000 ] - [ 0.0005788400000000, 0.0002794200000000, 0.0006708300000000 ] - [ 0.0001113200000000, 0.0006416500000000, 0.0011786000000000 ] - [ 0.0001911000000000, 0.0011011600000000, -0.0013316300000000 ] - [ 0.0004697000000000, -0.0003860500000000, 0.0003014800000000 ] - [ 0.0005177600000000, -0.0007493900000000, 0.0001878500000000 ] - [ 0.0011622600000000, -0.0000457200000000, -0.0000455100000000 ] - [ 0.0039493300000000, -0.0005395300000000, -0.0007264600000000 ] - [ -0.0008984900000000, 0.0025821800000000, 0.0004400000000000 ] - [ 0.0000199600000000, 0.0002163800000000, -0.0003530800000000 ] - [ 0.0000895000000000, -0.0001420300000000, 0.0003349200000000 ] - [ 0.0002953900000000, 0.0001130500000000, 0.0003709800000000 ] - [ -0.0009208700000000, 0.0003841800000000, -0.0003596200000000 ] - [ -0.0016001400000000, 0.0005863600000000, -0.0002484100000000 ] - [ -0.0001055200000000, -0.0008407000000000, -0.0016710000000000 ] - [ 0.0002444900000000, -0.0002850500000000, 0.0004751900000000 ] - [ 0.0014315800000000, 0.0004409700000000, 0.0001078100000000 ] - [ 0.0000638300000000, -0.0001943600000000, 0.0004288200000000 ] - [ 0.0001244100000000, 0.0001514700000000, 0.0003941000000000 ] - [ 0.0001383400000000, 0.0002335400000000, 0.0003121300000000 ] - [ 0.0043927800000000, -0.0015602000000000, 0.0015035700000000 ] - [ -0.0002305400000000, 0.0002009300000000, 0.0003822300000000 ] - [ 0.0004720400000000, 0.0000475100000000, 0.0004044000000000 ] - [ 0.0003498700000000, 0.0000232600000000, 0.0003490700000000 ] - [ 0.0002179100000000, 0.0003007200000000, 0.0001277900000000 ] - [ 0.0001274000000000, 0.0002769600000000, 0.0002994400000000 ] - [ 0.0005158100000000, -0.0003646200000000, -0.0008417700000000 ] - [ 0.0004689700000000, -0.0001052100000000, 0.0010178200000000 ] - [ -0.0007668500000000, 0.0018630300000000, -0.0014332300000000 ] - [ -0.0006901600000000, 0.0011141900000000, -0.0004886500000000 ] - [ -0.0006986300000000, -0.0011097700000000, -0.0005484900000000 ] - [ -0.0002135400000000, 0.0001329300000000, -0.0005944000000000 ] - [ -0.0011833700000000, -0.0007956400000000, 0.0002424200000000 ] - [ -0.0016936500000000, -0.0016264300000000, 0.0004381600000000 ] - [ 0.0000190600000000, -0.0009846900000000, -0.0001120900000000 ] - [ 0.0012924600000000, -0.0024108600000000, -0.0019543500000000 ] - [ -0.0000068800000000, -0.0003235700000000, 0.0005538900000000 ] - [ -0.0008658000000000, -0.0004953200000000, -0.0012621200000000 ] - [ -0.0010151900000000, -0.0008642700000000, -0.0001549200000000 ] - [ -0.0008301800000000, -0.0005861000000000, -0.0003705500000000 ] - [ 0.0004426100000000, 0.0003950300000000, -0.0004348200000000 ] - [ -0.0387661900000000, -0.0525085200000000, -0.0560136000000000 ] - [ 0.0004416400000000, -0.0004855700000000, -0.0004933300000000 ] - [ 0.0000869200000000, -0.0002114000000000, -0.0006315800000000 ] - [ -0.0000830800000000, -0.0002162300000000, 0.0009963600000000 ] - [ -0.0002128700000000, -0.0000932200000000, 0.0002112600000000 ] - [ 0.0003052900000000, 0.0001587600000000, 0.0005451600000000 ] - [ 0.0003877600000000, 0.0004071500000000, 0.0003210300000000 ] - [ 0.0010152400000000, 0.0016434800000000, -0.0005118000000000 ] - [ 0.0003880500000000, 0.0001243100000000, -0.0005896200000000 ] - [ 0.0006997600000000, -0.0009855600000000, 0.0021805400000000 ] - [ 0.0001095700000000, -0.0003627700000000, -0.0001735400000000 ] - [ -0.0002568800000000, 0.0001692200000000, 0.0005077300000000 ] - [ -0.0001647500000000, 0.0002012100000000, 0.0000989300000000 ] - [ 0.0000412900000000, 0.0004222200000000, -0.0007034600000000 ] - [ 0.0000617600000000, 0.0004483600000000, -0.0005413400000000 ] - [ -0.2838659700000000, -0.1326270900000000, 0.0747871000000000 ] - [ -0.0004381100000000, -0.0004123600000000, -0.0005879300000000 ] - [ 0.0006459700000000, -0.0002489100000000, -0.0012227400000000 ] - [ 0.0026375500000000, 0.0005662100000000, 0.0006775100000000 ] - [ 0.0011285700000000, -0.0001800400000000, 0.0002693200000000 ] - [ 0.0011107200000000, -0.0001264700000000, 0.0000395700000000 ] - [ -0.0000854800000000, -0.0009250600000000, -0.0000673300000000 ] - [ -0.0000294800000000, -0.0006500800000000, -0.0001874100000000 ] - [ 0.0002118000000000, -0.0001938500000000, -0.0005078500000000 ] - [ 0.0005712500000000, 0.0003786400000000, -0.0014843200000000 ] - [ -0.0105517100000000, 0.0135002900000000, 0.0074144600000000 ] - [ -0.0000668900000000, 0.0004326100000000, -0.0004654500000000 ] - [ 0.0015690000000000, 0.0034162400000000, -0.0023011200000000 ] - [ -0.0000349000000000, 0.0007772100000000, -0.0005354000000000 ] - [ -0.0009568900000000, 0.0002668600000000, -0.0003077600000000 ] - [ -0.0008309400000000, 0.0001452800000000, -0.0000469100000000 ] - [ -0.0035656500000000, 0.0000180400000000, 0.0009199600000000 ] - [ -0.0009820900000000, -0.0002874600000000, -0.0004595300000000 ] - [ 0.0001896900000000, 0.0008025200000000, 0.0001580400000000 ] - [ -0.0000432700000000, 0.0006241000000000, 0.0001366600000000 ] - [ -0.0008044500000000, -0.0008494600000000, 0.0012948900000000 ] - [ 0.0000555300000000, -0.0002635500000000, 0.0003211500000000 ] - [ -0.0036562800000000, 0.0014099000000000, -0.0004293000000000 ] - [ -0.0000834800000000, 0.0006078500000000, 0.0001898600000000 ] - [ -0.0002594200000000, 0.0003948000000000, -0.0008382100000000 ] - [ -0.0004279600000000, 0.0003314700000000, -0.0002569500000000 ] - [ 0.0004071100000000, -0.0049097400000000, -0.0045551500000000 ] - [ -0.0001241800000000, -0.0004232700000000, 0.0004672000000000 ] - [ -0.0003221700000000, -0.0011380000000000, -0.0001507900000000 ] - [ -0.0002941400000000, -0.0010933500000000, 0.0001217100000000 ] - [ 0.3501578400000000, 0.1995160800000000, -0.0177592100000000 ] - [ 0.0006953200000000, 0.0010165700000000, 0.0002599500000000 ] - [ 0.0000744600000000, 0.0013676100000000, 0.0001452200000000 ] - [ 0.0000778900000000, 0.0004869300000000, -0.0000007600000000 ] - [ 0.0051239400000000, -0.0031502700000000, 0.0002485100000000 ] - [ 0.0001671800000000, 0.0002993200000000, -0.0004416500000000 ] - [ 0.0006764600000000, 0.0002748100000000, -0.0001305000000000 ] - [ 0.0004896700000000, 0.0003506000000000, 0.0003298500000000 ] - [ -0.0150560700000000, -0.0236421900000000, -0.0056775600000000 ] - [ -0.0001529400000000, -0.0001701200000000, -0.0000747000000000 ] - [ -0.0001004300000000, 0.0003613600000000, 0.0012672100000000 ] - [ -0.0010505500000000, 0.0010945900000000, -0.0011387700000000 ] - [ -0.0005391000000000, 0.0003040800000000, 0.0004931000000000 ] - [ -0.0016079400000000, -0.0002277000000000, -0.0005804600000000 ] - [ -0.0001655300000000, 0.0000795700000000, 0.0003082400000000 ] - [ -0.0008590200000000, -0.0003869100000000, 0.0011450500000000 ] - [ -0.0009447900000000, 0.0026388800000000, 0.0006890100000000 ] - [ 0.0007343300000000, -0.0004399800000000, 0.0002199800000000 ] - [ 0.0003651800000000, 0.0009162200000000, -0.0013196700000000 ] - [ 0.0010021700000000, 0.0003967900000000, 0.0016520800000000 ] - [ -0.0002012600000000, -0.0002014500000000, -0.0001761700000000 ] - [ -0.0007166300000000, -0.0001028600000000, -0.0000353200000000 ] - [ 0.0005001300000000, 0.0000772700000000, -0.0002761300000000 ] - [ 0.0004627200000000, 0.0000995800000000, -0.0004641000000000 ] - [ 0.0001328000000000, -0.0000503500000000, 0.0000009100000000 ] - [ 0.0002578800000000, -0.0003248800000000, 0.0003311600000000 ] - [ 0.0002393100000000, -0.0001380700000000, 0.0003721000000000 ] - [ 0.0004062000000000, -0.0003841100000000, 0.0000922100000000 ] - [ -0.0005697400000000, -0.0024682300000000, 0.0001317100000000 ] - [ -0.0002727400000000, -0.0006410400000000, -0.0003682700000000 ] - [ -0.0009364500000000, 0.0001259700000000, -0.0001446300000000 ] - [ -0.0011888400000000, 0.0000531400000000, 0.0001579600000000 ] - [ -0.0001936000000000, 0.0003228700000000, 0.0007723900000000 ] - [ -0.0013036300000000, 0.0004834800000000, -0.0007035900000000 ] - [ 0.0002527900000000, 0.0007364500000000, -0.0003091500000000 ] - [ 0.0007582600000000, 0.0010775200000000, 0.0012576400000000 ] - [ -0.0002561000000000, 0.0003204900000000, 0.0019294000000000 ] - [ -0.0001939000000000, -0.0005911400000000, -0.0014925700000000 ] - [ 0.0000919100000000, -0.0007624800000000, 0.0002602300000000 ] - [ 0.0000914800000000, -0.0008281100000000, 0.0003698600000000 ] - [ -0.0003759900000000, -0.0022929400000000, 0.0003244000000000 ] - [ -0.0007741300000000, -0.0004236000000000, 0.0002099700000000 ] - [ -0.0019234600000000, -0.0029194700000000, 0.0012198300000000 ] - [ -0.0000622200000000, -0.0006460900000000, 0.0001286800000000 ]- atom: 93 displacement: [ -0.0049999999991861, 0.0086602540383143, 0.0000000000000000 ] forces: - [ 0.0013860100000000, 0.0004811400000000, 0.0004254600000000 ] - [ 0.0005643100000000, 0.0003106400000000, 0.0001870900000000 ] - [ -0.0066934900000000, 0.0085366100000000, 0.0015413200000000 ] - [ -0.0005695000000000, 0.0001828000000000, 0.0005514100000000 ] - [ -0.0003099900000000, -0.0012807800000000, 0.0003921900000000 ] - [ 0.0000246700000000, -0.0006326700000000, 0.0002241500000000 ] - [ -0.0005474500000000, -0.0002418200000000, 0.0002482900000000 ] - [ -0.0004727700000000, 0.0000088400000000, 0.0002066400000000 ] - [ -0.0002000100000000, 0.0009088200000000, 0.0000703500000000 ] - [ -0.0006004400000000, 0.0010566700000000, 0.0005098000000000 ] - [ 0.0007056100000000, -0.0005171900000000, 0.0002657400000000 ] - [ 0.0008238700000000, -0.0009638200000000, 0.0002106700000000 ] - [ 0.0006496900000000, -0.0000221500000000, -0.0002750300000000 ] - [ 0.0019385000000000, -0.0001055300000000, -0.0003839600000000 ] - [ 0.0001337600000000, -0.0016828500000000, -0.0010648000000000 ] - [ -0.0002479600000000, -0.0010258200000000, 0.0003204500000000 ] - [ 0.0002277100000000, -0.0003066000000000, 0.0003949200000000 ] - [ 0.0003422000000000, 0.0000917600000000, 0.0003495300000000 ] - [ -0.0008115200000000, 0.0003231000000000, -0.0002541600000000 ] - [ -0.0010615600000000, -0.0010609700000000, -0.0015588900000000 ] - [ 0.0000365700000000, 0.0009305400000000, -0.0008478600000000 ] - [ 0.0000343100000000, 0.0011880700000000, -0.0000736100000000 ] - [ 0.0000101800000000, 0.0006764400000000, 0.0004337300000000 ] - [ -0.0000563900000000, -0.0001130300000000, 0.0003926700000000 ] - [ 0.0001191800000000, 0.0001059600000000, 0.0004652200000000 ] - [ 0.0002109900000000, 0.0001080000000000, 0.0003187800000000 ] - [ -0.0011599800000000, 0.0009340000000000, 0.0001785000000000 ] - [ -0.0003556800000000, 0.0002549700000000, 0.0003289000000000 ] - [ 0.0001162100000000, -0.0002128300000000, 0.0003961600000000 ] - [ 0.0001231800000000, -0.0002323200000000, 0.0003155700000000 ] - [ 0.0001286000000000, 0.0002437900000000, 0.0001933400000000 ] - [ 0.0001200400000000, 0.0002552500000000, 0.0003254000000000 ] - [ 0.0003645300000000, -0.0001760100000000, -0.0001388200000000 ] - [ 0.0003829700000000, -0.0000649300000000, 0.0008783100000000 ] - [ -0.0008904000000000, 0.0004936000000000, 0.0004650100000000 ] - [ -0.0000277100000000, 0.0007060700000000, -0.0004811700000000 ] - [ -0.0004369400000000, -0.0020146000000000, -0.0005850100000000 ] - [ -0.0001286000000000, 0.0000817400000000, -0.0006027000000000 ] - [ -0.0005155100000000, -0.0004232600000000, 0.0000456800000000 ] - [ -0.0004137800000000, -0.0009710100000000, 0.0012647900000000 ] - [ 0.0000921800000000, -0.0008490600000000, -0.0002092900000000 ] - [ 0.0028201100000000, -0.0022718700000000, -0.0028536300000000 ] - [ -0.0001121000000000, -0.0003207700000000, 0.0001158600000000 ] - [ -0.0004318800000000, -0.0014357500000000, 0.0008450800000000 ] - [ -0.0005257900000000, -0.0010268000000000, 0.0002111300000000 ] - [ -0.0006462800000000, -0.0005266700000000, -0.0004953100000000 ] - [ 0.0006301900000000, 0.0005935800000000, -0.0002858600000000 ] - [ 0.0114260900000000, 0.1085785100000000, 0.1629437600000000 ] - [ 0.0002704600000000, -0.0001988600000000, -0.0003728600000000 ] - [ 0.0001581300000000, -0.0001844500000000, -0.0007610000000000 ] - [ -0.0002480500000000, -0.0000439200000000, 0.0001381600000000 ] - [ -0.0002493500000000, -0.0000758200000000, 0.0002459400000000 ] - [ 0.0003066200000000, 0.0001047700000000, 0.0002852900000000 ] - [ 0.0001728900000000, -0.0000464400000000, 0.0002155100000000 ] - [ -0.0015645700000000, 0.0002944600000000, -0.0008532700000000 ] - [ 0.0002183900000000, 0.0000595100000000, -0.0006054000000000 ] - [ 0.0007110100000000, 0.0013780600000000, 0.0014469700000000 ] - [ 0.0003662500000000, -0.0002359000000000, -0.0003577000000000 ] - [ -0.0002609600000000, 0.0001873500000000, 0.0003481500000000 ] - [ -0.0001083900000000, 0.0000045800000000, 0.0002432500000000 ] - [ -0.0001777200000000, -0.0000423300000000, -0.0005120400000000 ] - [ -0.0001150300000000, 0.0000078200000000, -0.0006949000000000 ] - [ -0.0090991200000000, 0.0177670200000000, 0.0141353000000000 ] - [ -0.0001832200000000, -0.0001997000000000, -0.0006242100000000 ] - [ 0.0012943000000000, 0.0001767900000000, -0.0010598100000000 ] - [ 0.0029101600000000, 0.0018163400000000, 0.0006535500000000 ] - [ 0.0007668600000000, 0.0004581300000000, -0.0000921500000000 ] - [ 0.0009322400000000, 0.0006255500000000, -0.0001428000000000 ] - [ 0.0013068800000000, -0.0016545700000000, 0.0010910600000000 ] - [ 0.0002896700000000, -0.0007009100000000, -0.0000652000000000 ] - [ -0.0000583100000000, -0.0006161800000000, -0.0002816600000000 ] - [ 0.0002149000000000, -0.0008873500000000, -0.0003302100000000 ] - [ -0.0044836200000000, 0.0008103100000000, -0.0020811000000000 ] - [ -0.0001368800000000, 0.0006504300000000, -0.0002854800000000 ] - [ -0.0005584000000000, -0.0003905600000000, -0.0002273000000000 ] - [ -0.0003431500000000, 0.0000013100000000, -0.0004458500000000 ] - [ -0.0007820200000000, 0.0000601600000000, -0.0002875600000000 ] - [ -0.0009520200000000, 0.0000148800000000, 0.0000086700000000 ] - [ -0.0017167800000000, -0.0008928200000000, 0.0004388200000000 ] - [ -0.0008000800000000, -0.0004142400000000, -0.0002878800000000 ] - [ -0.0006230200000000, 0.0016265600000000, -0.0002142600000000 ] - [ -0.0002262500000000, 0.0006994800000000, 0.0000200900000000 ] - [ 0.0003132800000000, 0.0001193000000000, 0.0001729900000000 ] - [ 0.0002765900000000, 0.0000361200000000, 0.0003458200000000 ] - [ 0.0004436500000000, 0.0000993700000000, 0.0004078700000000 ] - [ 0.0000538900000000, 0.0005701800000000, 0.0002122900000000 ] - [ 0.0000362700000000, -0.0000321300000000, -0.0002269300000000 ] - [ -0.0000451800000000, -0.0001314000000000, -0.0003510800000000 ] - [ 0.0011629900000000, -0.0001327400000000, 0.0015050600000000 ] - [ 0.0000265100000000, -0.0002909200000000, 0.0001821600000000 ] - [ 0.0000861600000000, -0.0005408300000000, 0.0002052100000000 ] - [ 0.0001506400000000, -0.0004196700000000, 0.0002293800000000 ] - [ 0.0018931300000000, -0.1383924300000000, -0.1814970800000000 ] - [ 0.0003887300000000, 0.0006668300000000, 0.0003345400000000 ] - [ -0.0009119600000000, 0.0019897600000000, -0.0004446400000000 ] - [ -0.0001718600000000, 0.0005725600000000, -0.0000694000000000 ] - [ 0.0035907800000000, 0.0031212000000000, 0.0009463100000000 ] - [ 0.0001862900000000, 0.0002518700000000, -0.0002510000000000 ] - [ 0.0004410600000000, 0.0005135500000000, 0.0001745900000000 ] - [ 0.0003575700000000, 0.0006618500000000, 0.0002201700000000 ] - [ 0.0052519100000000, -0.0024388400000000, -0.0001290000000000 ] - [ -0.0001969800000000, -0.0004356400000000, 0.0000125500000000 ] - [ -0.0009551800000000, -0.0006534600000000, 0.0015462200000000 ] - [ -0.0016686900000000, -0.0001731600000000, -0.0014606600000000 ] - [ -0.0008056800000000, -0.0001519500000000, 0.0000577700000000 ] - [ -0.0017249600000000, -0.0011201300000000, -0.0005115200000000 ] - [ 0.0001658500000000, 0.0003609100000000, 0.0002396700000000 ] - [ 0.0001236400000000, 0.0005228600000000, 0.0002981300000000 ] - [ -0.0031398400000000, 0.0032652400000000, 0.0008997500000000 ] - [ 0.0005839600000000, -0.0005206600000000, 0.0003270800000000 ] - [ 0.0006503700000000, -0.0004817300000000, -0.0003562700000000 ] - [ 0.0006886000000000, -0.0003834200000000, 0.0016651600000000 ] - [ -0.0000818400000000, -0.0001153400000000, -0.0002556900000000 ] - [ -0.0003604600000000, 0.0000407800000000, -0.0003716100000000 ] - [ -0.0000593200000000, 0.0006173300000000, -0.0005463000000000 ] - [ 0.0003184900000000, 0.0001315500000000, -0.0004039800000000 ] - [ 0.0004715200000000, 0.0005252900000000, -0.0000992100000000 ] - [ 0.0003627100000000, 0.0007055400000000, 0.0000293500000000 ] - [ 0.0003643300000000, 0.0001238300000000, 0.0002627500000000 ] - [ 0.0004100700000000, -0.0003284300000000, 0.0001251200000000 ] - [ 0.0000989000000000, 0.0001601700000000, -0.0002670900000000 ] - [ -0.0001391200000000, -0.0001710200000000, -0.0002960300000000 ] - [ -0.0005637700000000, -0.0000867700000000, 0.0001348800000000 ] - [ -0.0007677300000000, -0.0002498800000000, 0.0002522600000000 ] - [ -0.0003601000000000, 0.0001562700000000, 0.0007152400000000 ] - [ -0.0016439900000000, -0.0000401500000000, -0.0010395100000000 ] - [ -0.0003380400000000, 0.0006537000000000, 0.0004891800000000 ] - [ -0.0001275200000000, 0.0017269400000000, -0.0009345300000000 ] - [ -0.0000301800000000, 0.0000904700000000, -0.0000433000000000 ] - [ 0.0000875000000000, -0.0001242500000000, 0.0010340100000000 ] - [ -0.0001581700000000, -0.0003759200000000, -0.0000131400000000 ] - [ -0.0002148700000000, -0.0004053400000000, 0.0008081100000000 ] - [ 0.0012627100000000, 0.0028870900000000, 0.0008444800000000 ] - [ -0.0007676900000000, -0.0002206400000000, 0.0003114200000000 ] - [ 0.0011920900000000, -0.0005808800000000, -0.0000528800000000 ] - [ 0.0003652100000000, -0.0003040900000000, 0.0000374000000000 ]- atom: 93 displacement: [ 0.0049999999991861, -0.0086602540383143, 0.0000000000000000 ] forces: - [ -0.0005744200000000, 0.0002099300000000, 0.0000128400000000 ] - [ 0.0002402900000000, 0.0003759500000000, 0.0002450500000000 ] - [ 0.0062017100000000, -0.0087603600000000, -0.0013650100000000 ] - [ -0.0004192900000000, 0.0001613500000000, -0.0001208500000000 ] - [ 0.0004961600000000, 0.0001997900000000, 0.0000562300000000 ] - [ 0.0001666800000000, -0.0004414100000000, 0.0002206500000000 ] - [ -0.0002573300000000, -0.0004435700000000, 0.0001857300000000 ] - [ -0.0003338000000000, -0.0006942500000000, 0.0002241900000000 ] - [ 0.0000067400000000, 0.0001639700000000, 0.0003686000000000 ] - [ 0.0004076100000000, 0.0000197400000000, -0.0000546100000000 ] - [ 0.0002856500000000, 0.0001706600000000, 0.0001665200000000 ] - [ 0.0001680300000000, 0.0006144700000000, 0.0002190200000000 ] - [ -0.0006458300000000, 0.0000197600000000, -0.0003635600000000 ] - [ -0.0019374600000000, 0.0001016300000000, -0.0002442300000000 ] - [ -0.0001235300000000, 0.0016630900000000, 0.0004251500000000 ] - [ 0.0002481900000000, 0.0010237800000000, -0.0009574000000000 ] - [ 0.0004241000000000, 0.0007000000000000, 0.0002990000000000 ] - [ 0.0003127800000000, 0.0003056900000000, 0.0003425200000000 ] - [ -0.0007207800000000, 0.0003735100000000, -0.0004648900000000 ] - [ -0.0004760700000000, 0.0017358600000000, 0.0008306100000000 ] - [ 0.0003730500000000, -0.0015826200000000, -0.0004082900000000 ] - [ 0.0003709300000000, -0.0018359600000000, -0.0011850500000000 ] - [ 0.0000061900000000, -0.0014331100000000, 0.0002609500000000 ] - [ 0.0000744700000000, -0.0006534800000000, 0.0002996700000000 ] - [ -0.0001368400000000, 0.0006619700000000, 0.0002277800000000 ] - [ -0.0002269200000000, 0.0006578100000000, 0.0003725800000000 ] - [ 0.0004527200000000, -0.0005487100000000, 0.0005062900000000 ] - [ -0.0003176300000000, 0.0001132600000000, 0.0003619700000000 ] - [ 0.0005549000000000, -0.0001564400000000, 0.0002952700000000 ] - [ 0.0005483800000000, -0.0001369200000000, 0.0003757400000000 ] - [ -0.0000198100000000, 0.0004171800000000, 0.0003742300000000 ] - [ -0.0000105900000000, 0.0004061800000000, 0.0002405500000000 ] - [ 0.0001553700000000, -0.0002501700000000, 0.0007022200000000 ] - [ 0.0001374300000000, -0.0003612300000000, -0.0003132700000000 ] - [ 0.0007308800000000, 0.0011881900000000, -0.0011792500000000 ] - [ -0.0001424300000000, 0.0009691900000000, -0.0002388400000000 ] - [ 0.0000256600000000, 0.0026452700000000, -0.0006733500000000 ] - [ -0.0002770500000000, 0.0005688600000000, -0.0006543900000000 ] - [ -0.0001386900000000, 0.0000245500000000, 0.0006466100000000 ] - [ -0.0002401000000000, 0.0005733700000000, -0.0005755400000000 ] - [ 0.0000714800000000, -0.0008235400000000, -0.0005118500000000 ] - [ -0.0026059000000000, 0.0005721000000000, 0.0021045500000000 ] - [ 0.0000026000000000, -0.0003416300000000, 0.0004477300000000 ] - [ 0.0003288000000000, 0.0007758800000000, -0.0002686800000000 ] - [ -0.0008426200000000, 0.0000460900000000, -0.0009225400000000 ] - [ -0.0007206300000000, -0.0004532700000000, -0.0002266300000000 ] - [ 0.0007385600000000, 0.0003863700000000, -0.0004345800000000 ] - [ -0.0069619100000000, -0.1086501400000000, -0.1601677800000000 ] - [ -0.0010432600000000, 0.0001778000000000, -0.0008795200000000 ] - [ -0.0009220300000000, 0.0001587500000000, -0.0005011300000000 ] - [ -0.0003787600000000, -0.0001937800000000, 0.0004246300000000 ] - [ -0.0003769200000000, -0.0001620400000000, 0.0003194700000000 ] - [ 0.0003204700000000, 0.0001332300000000, 0.0002794800000000 ] - [ 0.0004532500000000, 0.0002826400000000, 0.0003514700000000 ] - [ 0.0023180600000000, -0.0002721900000000, -0.0004016300000000 ] - [ 0.0005484900000000, -0.0000317200000000, -0.0006521900000000 ] - [ 0.0007906100000000, -0.0020581900000000, -0.0022039600000000 ] - [ 0.0011658600000000, -0.0004597300000000, -0.0003628500000000 ] - [ -0.0002586300000000, 0.0002386500000000, 0.0002162300000000 ] - [ -0.0004095300000000, 0.0004199000000000, 0.0003218900000000 ] - [ 0.0005360400000000, 0.0007179100000000, -0.0007436000000000 ] - [ 0.0004719100000000, 0.0006660900000000, -0.0005625800000000 ] - [ 0.0118566000000000, -0.0174829100000000, -0.0162376000000000 ] - [ -0.0001770300000000, -0.0004782200000000, -0.0006338400000000 ] - [ -0.0012523400000000, 0.0004081500000000, 0.0000418000000000 ] - [ -0.0028701800000000, -0.0012313900000000, -0.0016653600000000 ] - [ -0.0002687400000000, -0.0007738000000000, -0.0009182000000000 ] - [ -0.0004276200000000, -0.0009369200000000, -0.0008630500000000 ] - [ -0.0013273500000000, 0.0010596100000000, -0.0020912600000000 ] - [ -0.0003230100000000, 0.0001139000000000, -0.0009489300000000 ] - [ -0.0004616200000000, 0.0003442700000000, -0.0007297700000000 ] - [ -0.0007348100000000, 0.0006094600000000, -0.0006752400000000 ] - [ 0.0050785000000000, -0.0006382100000000, 0.0010141400000000 ] - [ 0.0006545100000000, -0.0003807300000000, -0.0007276600000000 ] - [ 0.0000526600000000, 0.0006973500000000, -0.0007734900000000 ] - [ -0.0001549500000000, 0.0003182500000000, -0.0005641600000000 ] - [ 0.0004141200000000, 0.0004667200000000, 0.0005170000000000 ] - [ 0.0005743200000000, 0.0005123600000000, 0.0002234300000000 ] - [ 0.0003988200000000, 0.0004863400000000, -0.0001127800000000 ] - [ -0.0005115200000000, 0.0000118000000000, 0.0006142800000000 ] - [ 0.0004476200000000, -0.0011333900000000, 0.0009796200000000 ] - [ 0.0000562500000000, -0.0002123100000000, 0.0007530700000000 ] - [ 0.0002000900000000, -0.0002144400000000, 0.0005896200000000 ] - [ 0.0002331700000000, -0.0001341200000000, 0.0004237500000000 ] - [ -0.0001207600000000, 0.0012349900000000, -0.0000793700000000 ] - [ 0.0002470100000000, 0.0007730900000000, 0.0001146500000000 ] - [ 0.0004615100000000, 0.0005599300000000, -0.0002561300000000 ] - [ 0.0005410400000000, 0.0006569700000000, -0.0001360700000000 ] - [ -0.0014949800000000, -0.0002212700000000, -0.0007023800000000 ] - [ -0.0003534700000000, -0.0000965400000000, 0.0005872500000000 ] - [ -0.0003852000000000, -0.0008017100000000, 0.0001220000000000 ] - [ -0.0004489900000000, -0.0009223100000000, 0.0000960700000000 ] - [ -0.0082242600000000, 0.1407828900000000, 0.1797983400000000 ] - [ 0.0000979300000000, 0.0011821800000000, 0.0003349700000000 ] - [ 0.0011865500000000, -0.0013840900000000, 0.0006703600000000 ] - [ 0.0004546400000000, 0.0000180000000000, 0.0003021700000000 ] - [ -0.0038445400000000, -0.0024210400000000, -0.0014425300000000 ] - [ -0.0003952000000000, 0.0004432300000000, -0.0002326400000000 ] - [ 0.0008695600000000, -0.0001121300000000, 0.0001522700000000 ] - [ 0.0009514400000000, -0.0002583600000000, 0.0001071900000000 ] - [ -0.0058105900000000, 0.0025413000000000, 0.0004009800000000 ] - [ -0.0004445900000000, 0.0003829800000000, 0.0002199300000000 ] - [ 0.0006695700000000, 0.0000626100000000, -0.0013119000000000 ] - [ 0.0013845600000000, -0.0004159800000000, 0.0016976000000000 ] - [ 0.0001032800000000, 0.0003175500000000, -0.0005431900000000 ] - [ 0.0010233000000000, 0.0012846100000000, 0.0000243600000000 ] - [ 0.0001645400000000, 0.0000292300000000, 0.0005294800000000 ] - [ 0.0002099500000000, -0.0001289400000000, 0.0004654200000000 ] - [ 0.0044233600000000, -0.0045535100000000, -0.0002343400000000 ] - [ 0.0007720100000000, -0.0008279300000000, 0.0003420800000000 ] - [ 0.0012045900000000, 0.0009566100000000, 0.0010319500000000 ] - [ 0.0011481200000000, 0.0008549500000000, -0.0009928100000000 ] - [ 0.0002917100000000, -0.0005799300000000, -0.0002327500000000 ] - [ 0.0005714900000000, -0.0007344200000000, -0.0001182100000000 ] - [ 0.0007526900000000, -0.0007779900000000, 0.0000560200000000 ] - [ 0.0003812200000000, -0.0002985500000000, -0.0000818300000000 ] - [ 0.0001737100000000, -0.0004702500000000, 0.0003290600000000 ] - [ 0.0002821300000000, -0.0006465800000000, 0.0001992500000000 ] - [ 0.0006448000000000, -0.0010502400000000, 0.0000606600000000 ] - [ 0.0005967000000000, -0.0006018500000000, 0.0002010100000000 ] - [ -0.0005926500000000, -0.0006826200000000, -0.0002227500000000 ] - [ -0.0003572400000000, -0.0003604200000000, -0.0001900100000000 ] - [ 0.0000548900000000, 0.0001833500000000, 0.0006352100000000 ] - [ 0.0002557600000000, 0.0003444500000000, 0.0005146100000000 ] - [ 0.0005284400000000, -0.0006403300000000, 0.0000591400000000 ] - [ 0.0018161900000000, -0.0004440300000000, 0.0018112800000000 ] - [ -0.0006699900000000, 0.0002788500000000, -0.0001603600000000 ] - [ -0.0008822300000000, -0.0007968000000000, 0.0012541800000000 ] - [ -0.0013322800000000, 0.0012527400000000, 0.0007092600000000 ] - [ -0.0014357800000000, 0.0014648800000000, -0.0003662200000000 ] - [ -0.0003257800000000, -0.0014731800000000, 0.0006754700000000 ] - [ -0.0002703400000000, -0.0014381400000000, -0.0001356200000000 ] - [ -0.0030784800000000, -0.0033392000000000, -0.0001858800000000 ] - [ -0.0010687400000000, -0.0002639600000000, 0.0003487500000000 ] - [ -0.0008057500000000, 0.0000560700000000, 0.0002774200000000 ] - [ 0.0000063600000000, -0.0002268700000000, 0.0001938700000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002037100000000, 0.0003559600000000, 0.0005352600000000 ] - [ 0.0004254100000000, 0.0003373100000000, -0.0001043400000000 ] - [ -0.0029200600000000, 0.0040130900000000, 0.0038853400000000 ] - [ -0.0005520100000000, 0.0003366600000000, -0.0006094100000000 ] - [ 0.0000433200000000, -0.0004743600000000, 0.0004154000000000 ] - [ 0.0001260900000000, -0.0005776000000000, 0.0000180500000000 ] - [ -0.0000519300000000, -0.0001774800000000, -0.0000040900000000 ] - [ -0.0008535100000000, -0.0006900800000000, 0.0004619000000000 ] - [ -0.0004598200000000, -0.0000204000000000, -0.0001924900000000 ] - [ 0.0008710900000000, 0.0012744000000000, 0.0002095700000000 ] - [ 0.0004759200000000, -0.0002058000000000, 0.0001092900000000 ] - [ 0.0004190000000000, 0.0001108500000000, 0.0002831700000000 ] - [ 0.0001899300000000, -0.0000498400000000, -0.0013751200000000 ] - [ -0.0009261600000000, 0.0001004700000000, 0.0009456800000000 ] - [ -0.0000112100000000, -0.0005361500000000, -0.0001442800000000 ] - [ 0.0001408500000000, 0.0005799100000000, -0.0010550100000000 ] - [ 0.0003548900000000, 0.0003150200000000, 0.0004273300000000 ] - [ 0.0003309300000000, 0.0001843600000000, 0.0002683700000000 ] - [ -0.0007540900000000, 0.0004499500000000, -0.0005513300000000 ] - [ -0.0007622800000000, 0.0002870300000000, -0.0000592500000000 ] - [ 0.0011560300000000, -0.0007386900000000, -0.0016277700000000 ] - [ -0.0004963600000000, -0.0002656900000000, -0.0015671800000000 ] - [ 0.0000226200000000, -0.0004342300000000, 0.0005873200000000 ] - [ -0.0000305200000000, -0.0004875000000000, 0.0001693100000000 ] - [ -0.0000927700000000, 0.0006804900000000, 0.0002737700000000 ] - [ 0.0000161900000000, 0.0001750600000000, 0.0003946700000000 ] - [ -0.0003367100000000, 0.0000508200000000, 0.0004131900000000 ] - [ -0.0003260500000000, 0.0002152100000000, 0.0002070500000000 ] - [ 0.0004117200000000, -0.0001558300000000, 0.0003043900000000 ] - [ 0.0003085700000000, -0.0002364400000000, 0.0003822800000000 ] - [ 0.0000451000000000, 0.0003052900000000, 0.0004935800000000 ] - [ 0.0000373700000000, 0.0003826000000000, 0.0000690300000000 ] - [ 0.0005047000000000, -0.0001268200000000, 0.0007199100000000 ] - [ 0.0000663600000000, -0.0003190600000000, -0.0004117000000000 ] - [ 0.0006244100000000, 0.0022744700000000, -0.0003823400000000 ] - [ 0.0006099500000000, 0.0004638900000000, -0.0006740000000000 ] - [ -0.0002421100000000, 0.0004609000000000, -0.0007455400000000 ] - [ -0.0002047900000000, 0.0004405200000000, -0.0006718400000000 ] - [ -0.0006050300000000, -0.0008291000000000, -0.0000440500000000 ] - [ -0.0001200700000000, 0.0012565500000000, -0.0001788700000000 ] - [ 0.0000493200000000, -0.0006193800000000, -0.0007795800000000 ] - [ 0.0004427100000000, -0.0014340700000000, 0.0002321400000000 ] - [ -0.0001448000000000, -0.0003203100000000, -0.0003239400000000 ] - [ 0.0002016100000000, 0.0003305600000000, 0.0015892900000000 ] - [ -0.0008972200000000, 0.0000050900000000, -0.0002278600000000 ] - [ -0.0005870200000000, -0.0007028500000000, -0.0005971800000000 ] - [ 0.0006779800000000, 0.0004671700000000, -0.0007671600000000 ] - [ 0.0243707100000000, 0.2025367400000000, 0.3159084500000000 ] - [ -0.0016940700000000, 0.0007405300000000, -0.0002964700000000 ] - [ 0.0005840300000000, -0.0006072400000000, -0.0001166800000000 ] - [ -0.0003661700000000, -0.0002003900000000, 0.0005457000000000 ] - [ -0.0003009700000000, -0.0000524400000000, 0.0000105600000000 ] - [ 0.0003275800000000, 0.0000770100000000, -0.0000541100000000 ] - [ 0.0003164400000000, 0.0001620400000000, 0.0006547200000000 ] - [ 0.0006235200000000, 0.0000882200000000, -0.0003744500000000 ] - [ 0.0004531100000000, -0.0000327700000000, -0.0008721300000000 ] - [ -0.0021439800000000, 0.0005331300000000, -0.0037009500000000 ] - [ 0.0007252300000000, -0.0003644600000000, -0.0008494100000000 ] - [ -0.0002416900000000, 0.0002333100000000, -0.0000450800000000 ] - [ -0.0002980300000000, 0.0002304100000000, 0.0006416800000000 ] - [ 0.0003682300000000, 0.0005821700000000, -0.0006325400000000 ] - [ 0.0001112100000000, 0.0001869300000000, -0.0006323600000000 ] - [ -0.0367217500000000, -0.0018488800000000, 0.0465113900000000 ] - [ -0.0002382400000000, -0.0003820800000000, -0.0009060800000000 ] - [ 0.0022899400000000, -0.0000147100000000, -0.0017504600000000 ] - [ -0.0042224300000000, 0.0006158600000000, 0.0012052500000000 ] - [ -0.0003535400000000, -0.0005159000000000, -0.0011309400000000 ] - [ 0.0005744800000000, -0.0000280300000000, -0.0001177000000000 ] - [ 0.0001303900000000, -0.0005766600000000, 0.0000099600000000 ] - [ -0.0002499100000000, 0.0000748500000000, -0.0010620600000000 ] - [ -0.0002637100000000, 0.0000657700000000, -0.0007458900000000 ] - [ -0.0004751300000000, -0.0001703500000000, -0.0002476200000000 ] - [ -0.0010541500000000, -0.0003420200000000, -0.0012132400000000 ] - [ 0.0001369100000000, -0.0001709200000000, -0.0010457300000000 ] - [ -0.0004258900000000, 0.0001473500000000, -0.0002030100000000 ] - [ -0.0000749200000000, 0.0000336200000000, -0.0008478100000000 ] - [ 0.0008153500000000, 0.0001790500000000, 0.0003549800000000 ] - [ -0.0008690200000000, 0.0004209600000000, -0.0000306300000000 ] - [ -0.0009552500000000, -0.0001437200000000, -0.0006713900000000 ] - [ -0.0004163700000000, -0.0001993600000000, 0.0009545900000000 ] - [ -0.0001955100000000, 0.0006200600000000, 0.0000901200000000 ] - [ 0.0000226700000000, -0.0001601500000000, 0.0008436400000000 ] - [ 0.0003781900000000, -0.0000810500000000, 0.0001379700000000 ] - [ 0.0001586700000000, 0.0000258900000000, 0.0006832400000000 ] - [ 0.0003210500000000, 0.0008333900000000, -0.0002816300000000 ] - [ 0.0000648100000000, 0.0005931200000000, 0.0005842200000000 ] - [ 0.0005508900000000, 0.0004058100000000, -0.0001960400000000 ] - [ 0.0000881500000000, 0.0002171200000000, -0.0002323700000000 ] - [ 0.0000069300000000, -0.0005673500000000, 0.0003863600000000 ] - [ -0.0000882700000000, -0.0000934800000000, 0.0008451000000000 ] - [ -0.0002112100000000, -0.0006761700000000, 0.0003954300000000 ] - [ -0.0001486600000000, -0.0006838700000000, -0.0000780700000000 ] - [ 0.0148047800000000, -0.2064799700000000, -0.3635523200000000 ] - [ 0.0003160000000000, 0.0009669200000000, 0.0010745700000000 ] - [ -0.0000103400000000, 0.0001439100000000, -0.0002214700000000 ] - [ 0.0003802000000000, 0.0002148000000000, 0.0004630300000000 ] - [ 0.0005225800000000, 0.0012034000000000, -0.0013594500000000 ] - [ -0.0000561600000000, 0.0003471200000000, 0.0002691300000000 ] - [ 0.0007003800000000, 0.0000475300000000, 0.0004001600000000 ] - [ 0.0006741100000000, 0.0002200400000000, -0.0000554800000000 ] - [ 0.0017007300000000, 0.0013827200000000, -0.0043048200000000 ] - [ -0.0004013300000000, 0.0001413400000000, 0.0006171400000000 ] - [ -0.0020100400000000, 0.0004129400000000, 0.0017744300000000 ] - [ 0.0029373500000000, -0.0020238800000000, 0.0011214000000000 ] - [ -0.0012138100000000, -0.0000091700000000, -0.0001777600000000 ] - [ 0.0011145300000000, 0.0005950500000000, -0.0003986100000000 ] - [ 0.0001541200000000, 0.0001682800000000, 0.0006498600000000 ] - [ 0.0003020700000000, 0.0001945900000000, 0.0000746100000000 ] - [ 0.0011982600000000, -0.0009840300000000, -0.0003565100000000 ] - [ 0.0006591900000000, -0.0008004700000000, 0.0007512100000000 ] - [ 0.0034243400000000, -0.0004062000000000, 0.0022375700000000 ] - [ -0.0010683600000000, 0.0009492200000000, 0.0015172300000000 ] - [ 0.0000434100000000, -0.0004042000000000, -0.0002697200000000 ] - [ 0.0003837700000000, -0.0004268700000000, -0.0002177800000000 ] - [ 0.0004056500000000, 0.0000322800000000, -0.0005711700000000 ] - [ 0.0003351600000000, -0.0002515200000000, 0.0001141100000000 ] - [ 0.0002377500000000, -0.0001983900000000, 0.0002121900000000 ] - [ 0.0004156500000000, 0.0001005600000000, 0.0000636800000000 ] - [ 0.0005178500000000, -0.0006307100000000, -0.0002040000000000 ] - [ 0.0005223000000000, -0.0004187300000000, 0.0004982600000000 ] - [ -0.0001917900000000, -0.0002298800000000, -0.0005117400000000 ] - [ -0.0003585700000000, -0.0001669100000000, 0.0000503300000000 ] - [ -0.0000303800000000, 0.0000638300000000, 0.0009234300000000 ] - [ -0.0002597000000000, 0.0000975500000000, -0.0000586900000000 ] - [ -0.0005876400000000, 0.0003165500000000, 0.0014253500000000 ] - [ 0.0011522100000000, -0.0009494800000000, -0.0005473800000000 ] - [ -0.0002733300000000, 0.0010383300000000, 0.0007025800000000 ] - [ -0.0008591000000000, -0.0011715700000000, 0.0000427200000000 ] - [ -0.0020047200000000, -0.0000787000000000, 0.0015129400000000 ] - [ 0.0000219400000000, 0.0021655600000000, 0.0022600100000000 ] - [ -0.0002068900000000, -0.0014486800000000, 0.0003630300000000 ] - [ -0.0003167100000000, -0.0005679600000000, 0.0003630700000000 ] - [ -0.0011353800000000, -0.0007691000000000, -0.0003611800000000 ] - [ -0.0010244600000000, -0.0001720600000000, 0.0007476300000000 ] - [ 0.0001121600000000, -0.0000812200000000, -0.0003289900000000 ] - [ 0.0001813300000000, -0.0002761100000000, 0.0005379600000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005965300000000, 0.0003329100000000, -0.0001013700000000 ] - [ 0.0003789700000000, 0.0003490100000000, 0.0005373300000000 ] - [ 0.0019792100000000, -0.0036906600000000, -0.0034041600000000 ] - [ -0.0004371400000000, 0.0000095900000000, 0.0010345700000000 ] - [ 0.0001420100000000, -0.0006061600000000, 0.0000327500000000 ] - [ 0.0000657500000000, -0.0004956000000000, 0.0004266500000000 ] - [ -0.0007516400000000, -0.0005088400000000, 0.0004379900000000 ] - [ 0.0000420500000000, -0.0000013800000000, -0.0000325000000000 ] - [ 0.0002672900000000, 0.0010967800000000, 0.0006287500000000 ] - [ -0.0010542400000000, -0.0001960200000000, 0.0002513500000000 ] - [ 0.0005140200000000, -0.0001382000000000, 0.0003202900000000 ] - [ 0.0005707000000000, -0.0004524800000000, 0.0001499300000000 ] - [ -0.0001899800000000, 0.0000508300000000, 0.0007340800000000 ] - [ 0.0009035000000000, -0.0000975500000000, -0.0015673600000000 ] - [ 0.0000201600000000, 0.0005085700000000, -0.0005046800000000 ] - [ -0.0001410500000000, -0.0005755400000000, 0.0004195800000000 ] - [ 0.0003012000000000, 0.0000844800000000, 0.0002657000000000 ] - [ 0.0003233500000000, 0.0002135600000000, 0.0004237600000000 ] - [ -0.0007777500000000, 0.0002457600000000, -0.0001687000000000 ] - [ -0.0007645600000000, 0.0004012900000000, -0.0006574300000000 ] - [ -0.0007487200000000, 0.0000899600000000, 0.0003644100000000 ] - [ 0.0008916200000000, -0.0003932600000000, 0.0002890600000000 ] - [ -0.0000152200000000, -0.0003321900000000, 0.0001110500000000 ] - [ 0.0000482700000000, -0.0002810400000000, 0.0005225100000000 ] - [ 0.0000746500000000, 0.0000851200000000, 0.0004190400000000 ] - [ -0.0000341900000000, 0.0005897100000000, 0.0002987700000000 ] - [ -0.0003884900000000, 0.0003405500000000, 0.0002658500000000 ] - [ -0.0003459500000000, 0.0001530000000000, 0.0004842300000000 ] - [ 0.0002590200000000, -0.0002139700000000, 0.0003865900000000 ] - [ 0.0003635300000000, -0.0001330700000000, 0.0003099200000000 ] - [ 0.0000630100000000, 0.0003561900000000, 0.0000729100000000 ] - [ 0.0000710000000000, 0.0002797600000000, 0.0004974600000000 ] - [ 0.0000156500000000, -0.0002982400000000, -0.0001499900000000 ] - [ 0.0004517300000000, -0.0001084500000000, 0.0009701800000000 ] - [ -0.0007872600000000, -0.0005955300000000, -0.0003402900000000 ] - [ -0.0007819500000000, 0.0012112100000000, -0.0000460700000000 ] - [ -0.0001605600000000, 0.0001941700000000, -0.0005114800000000 ] - [ -0.0002012000000000, 0.0002091100000000, -0.0005851100000000 ] - [ -0.0000477800000000, 0.0004333300000000, 0.0007365900000000 ] - [ -0.0005287300000000, -0.0016307800000000, 0.0008691800000000 ] - [ 0.0001145200000000, -0.0010554900000000, 0.0000601600000000 ] - [ -0.0002783700000000, -0.0002402900000000, -0.0009343500000000 ] - [ 0.0000344500000000, -0.0003416500000000, 0.0008846000000000 ] - [ -0.0003054900000000, -0.0009921500000000, -0.0009937200000000 ] - [ -0.0004692500000000, -0.0009846800000000, -0.0004932000000000 ] - [ -0.0007798500000000, -0.0002783200000000, -0.0001239500000000 ] - [ 0.0006888500000000, 0.0005118100000000, 0.0000472300000000 ] - [ -0.0198391600000000, -0.1859737000000000, -0.3020130700000000 ] - [ 0.0009283600000000, -0.0007697600000000, -0.0009651800000000 ] - [ -0.0013455500000000, 0.0005788500000000, -0.0011357200000000 ] - [ -0.0002611400000000, -0.0000363000000000, 0.0000118300000000 ] - [ -0.0003256300000000, -0.0001855900000000, 0.0005562100000000 ] - [ 0.0002994300000000, 0.0001608900000000, 0.0006164100000000 ] - [ 0.0003095400000000, 0.0000738200000000, -0.0000859700000000 ] - [ 0.0001383400000000, -0.0000793000000000, -0.0008782500000000 ] - [ 0.0003134900000000, 0.0000597900000000, -0.0003856500000000 ] - [ 0.0037038700000000, -0.0012297500000000, 0.0030080200000000 ] - [ 0.0008129000000000, -0.0003322000000000, 0.0001235400000000 ] - [ -0.0002780800000000, 0.0001931300000000, 0.0006069500000000 ] - [ -0.0002224400000000, 0.0001949000000000, -0.0000721900000000 ] - [ -0.0000086600000000, 0.0000945000000000, -0.0006235800000000 ] - [ 0.0002474000000000, 0.0004882400000000, -0.0006245100000000 ] - [ 0.0382865700000000, 0.0026444100000000, -0.0490829100000000 ] - [ -0.0001212500000000, -0.0002942200000000, -0.0003510600000000 ] - [ -0.0022474500000000, 0.0006023500000000, 0.0007333900000000 ] - [ 0.0042128100000000, -0.0000155900000000, -0.0021951000000000 ] - [ 0.0008509100000000, 0.0002000900000000, 0.0001205700000000 ] - [ -0.0000741300000000, -0.0002885700000000, -0.0008874100000000 ] - [ -0.0001602500000000, -0.0000126800000000, -0.0010188600000000 ] - [ 0.0002154400000000, -0.0006590900000000, 0.0000456700000000 ] - [ -0.0002580300000000, -0.0003335000000000, -0.0002687100000000 ] - [ -0.0000507400000000, -0.0001056900000000, -0.0007538400000000 ] - [ 0.0016519100000000, 0.0004768500000000, 0.0001145400000000 ] - [ 0.0003811600000000, 0.0004427900000000, 0.0000335000000000 ] - [ -0.0000862500000000, 0.0001461000000000, -0.0007911500000000 ] - [ -0.0004247000000000, 0.0002832300000000, -0.0001613800000000 ] - [ -0.0011879400000000, 0.0003531200000000, -0.0001211400000000 ] - [ 0.0004929100000000, 0.0001116600000000, 0.0002611700000000 ] - [ -0.0003464400000000, -0.0002631500000000, 0.0009900700000000 ] - [ -0.0008928700000000, -0.0002021700000000, -0.0006218500000000 ] - [ 0.0000213100000000, -0.0001293700000000, 0.0006819800000000 ] - [ -0.0001923500000000, 0.0006441700000000, -0.0000695100000000 ] - [ 0.0001406000000000, -0.0000104900000000, 0.0006220100000000 ] - [ 0.0003528300000000, -0.0001233500000000, 0.0000852600000000 ] - [ 0.0000179600000000, 0.0004992300000000, 0.0006150200000000 ] - [ 0.0002348000000000, 0.0007503200000000, -0.0002573900000000 ] - [ -0.0000540100000000, 0.0001208900000000, -0.0002834100000000 ] - [ 0.0004094300000000, 0.0003105000000000, -0.0002552600000000 ] - [ -0.0003359800000000, 0.0002226300000000, 0.0004391600000000 ] - [ -0.0002408800000000, -0.0002959500000000, -0.0000770100000000 ] - [ -0.0000869800000000, -0.0006641900000000, -0.0000645600000000 ] - [ -0.0001505000000000, -0.0006576500000000, 0.0004020000000000 ] - [ -0.0196672900000000, 0.1911653900000000, 0.3508137100000000 ] - [ 0.0001697100000000, 0.0008832900000000, -0.0004019600000000 ] - [ 0.0002915000000000, 0.0004424200000000, 0.0004508700000000 ] - [ -0.0000952900000000, 0.0003751500000000, -0.0002281100000000 ] - [ -0.0007635600000000, -0.0004606400000000, 0.0008746000000000 ] - [ -0.0001528000000000, 0.0003460800000000, -0.0007501300000000 ] - [ 0.0006091900000000, 0.0003563500000000, -0.0000689700000000 ] - [ 0.0006378400000000, 0.0001823400000000, 0.0003785100000000 ] - [ -0.0021711900000000, -0.0012316000000000, 0.0045889800000000 ] - [ -0.0002418300000000, -0.0001946400000000, -0.0003843800000000 ] - [ 0.0017243500000000, -0.0010057800000000, -0.0015445500000000 ] - [ -0.0031828700000000, 0.0014098400000000, -0.0008698200000000 ] - [ 0.0005107700000000, 0.0001743700000000, -0.0003104600000000 ] - [ -0.0017995300000000, -0.0004269000000000, -0.0000900600000000 ] - [ 0.0001767200000000, 0.0002204700000000, 0.0001211600000000 ] - [ 0.0000360300000000, 0.0001998500000000, 0.0006845600000000 ] - [ 0.0001681100000000, -0.0003773800000000, 0.0010199300000000 ] - [ 0.0006970300000000, -0.0005455100000000, -0.0000820000000000 ] - [ -0.0016179000000000, 0.0008884400000000, -0.0016084100000000 ] - [ 0.0028793600000000, -0.0004609700000000, -0.0008472600000000 ] - [ 0.0001662400000000, -0.0002926500000000, -0.0002165200000000 ] - [ -0.0001685300000000, -0.0002697700000000, -0.0002726700000000 ] - [ 0.0002923900000000, -0.0001967400000000, 0.0000821500000000 ] - [ 0.0003629000000000, 0.0000827600000000, -0.0005972400000000 ] - [ 0.0004083700000000, 0.0002496700000000, 0.0000216700000000 ] - [ 0.0002289600000000, -0.0000449200000000, 0.0001644200000000 ] - [ 0.0004902100000000, -0.0003016900000000, 0.0005277500000000 ] - [ 0.0004854200000000, -0.0005123100000000, -0.0001714300000000 ] - [ -0.0003024500000000, -0.0002822800000000, 0.0000207700000000 ] - [ -0.0001383300000000, -0.0003623700000000, -0.0005344600000000 ] - [ -0.0004778300000000, 0.0000334000000000, -0.0001532500000000 ] - [ -0.0002478900000000, 0.0000002300000000, 0.0008226700000000 ] - [ 0.0007560800000000, -0.0008044300000000, -0.0006512600000000 ] - [ -0.0009759900000000, 0.0004527300000000, 0.0013051100000000 ] - [ -0.0007365500000000, -0.0001094700000000, -0.0003687800000000 ] - [ -0.0001556600000000, 0.0020851700000000, 0.0002688100000000 ] - [ 0.0006528500000000, 0.0014282800000000, -0.0008516100000000 ] - [ -0.0013665700000000, -0.0008118500000000, -0.0015858900000000 ] - [ -0.0002788200000000, -0.0004009800000000, 0.0003053400000000 ] - [ -0.0001696200000000, -0.0012785500000000, 0.0003052100000000 ] - [ -0.0007083300000000, 0.0002940000000000, 0.0010153200000000 ] - [ -0.0008134500000000, -0.0003117100000000, -0.0000855200000000 ] - [ 0.0002760900000000, -0.0004290800000000, 0.0005481300000000 ] - [ 0.0001899500000000, -0.0002534000000000, -0.0003056600000000 ]