# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1a7d7a39-6837-474e-8d5f-f9b122e4feb4/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 Ca2Al2O5 / Ima2 (46) / materials id 10444](https://mdr.nims.go.jp/datasets/34688028-28d5-49d8-bebb-e6454ff4e268) ## 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: "Ima2" number: 46 Hall_symbol: "I 2 -2a"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -7.168070235000000, 2.700753210000000, 2.611085630000000 ] # a - [ 7.168070235000000, -2.700753210000000, 2.611085630000000 ] # b - [ 7.168070235000000, 2.700753210000000, -2.611085630000000 ] # c points: - symbol: O # 1 coordinates: [ 0.499504990000000, 0.262994250000000, 0.258264920000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.004729330000000, 0.241240070000000, 0.741735080000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.004729330000000, 0.762994250000000, 0.263489260000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.499504990000000, 0.741240070000000, 0.736510740000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.981216400000000, 0.865046550000000, 0.616169850000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.248876700000000, 0.365046550000000, 0.383830150000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.577328070000000, 0.378514190000000, 0.917334660000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.461179530000000, 0.659993410000000, 0.082665340000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.577328070000000, 0.159993410000000, 0.698813880000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.461179530000000, 0.878514190000000, 0.301186120000000 ] mass: 15.999400 - symbol: Al # 11 coordinates: [ 0.503519840000000, 0.003519840000000, 0.500000000000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.503519840000000, 0.503519840000000, 0.000000000000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.379999150000000, 0.203905370000000, 0.676093780000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.527811590000000, 0.703905370000000, 0.323906220000000 ] mass: 26.981539 - symbol: Ca # 15 coordinates: [ 0.021888260000000, 0.889642250000000, 0.918039210000000 ] mass: 40.078000 - symbol: Ca # 16 coordinates: [ 0.971603040000000, 0.103849050000000, 0.081960790000000 ] mass: 40.078000 - symbol: Ca # 17 coordinates: [ 0.971603040000000, 0.389642250000000, 0.367753990000000 ] mass: 40.078000 - symbol: Ca # 18 coordinates: [ 0.021888260000000, 0.603849050000000, 0.632246010000000 ] mass: 40.078000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.185133539098895, 0.191491230412080 ] # a* - [ 0.069753780809599, 0.000000000000000, 0.191491230412080 ] # b* - [ 0.069753780809599, 0.185133539098895, 0.000000000000000 ] # c*unit_cell: lattice: - [ 14.336140470000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.401506420000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.222171260000000 ] # c points: - symbol: O # 1 coordinates: [ 0.510877090000000, 0.747387830000000, 0.752117160000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.989122910000000, 0.752612170000000, 0.252117160000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.510877090000000, 0.752612170000000, 0.252117160000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.989122910000000, 0.747387830000000, 0.752117160000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.750000000000000, 0.866169850000000, 0.115046550000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.750000000000000, 0.633830150000000, 0.615046550000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.859260390000000, 0.058074270000000, 0.519253800000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.640739610000000, 0.441925730000000, 0.019253800000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.640739610000000, 0.058074270000000, 0.519253800000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.859260390000000, 0.441925730000000, 0.019253800000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.010877090000000, 0.247387830000000, 0.252117160000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.489122910000000, 0.252612170000000, 0.752117160000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 13 coordinates: [ 0.010877090000000, 0.252612170000000, 0.752117160000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 14 coordinates: [ 0.489122910000000, 0.247387830000000, 0.252117160000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 15 coordinates: [ 0.250000000000000, 0.366169850000000, 0.615046550000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 16 coordinates: [ 0.250000000000000, 0.133830150000000, 0.115046550000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 17 coordinates: [ 0.359260390000000, 0.558074270000000, 0.019253800000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 18 coordinates: [ 0.140739610000000, 0.941925730000000, 0.519253800000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 19 coordinates: [ 0.140739610000000, 0.558074270000000, 0.019253800000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 20 coordinates: [ 0.359260390000000, 0.941925730000000, 0.519253800000000 ] mass: 15.999400 reduced_to: 10 - symbol: Al # 21 coordinates: [ 0.500000000000000, 0.000000000000000, 0.503519840000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.003519840000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 23 coordinates: [ 0.750000000000000, 0.926093780000000, 0.453905370000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.750000000000000, 0.573906220000000, 0.953905370000000 ] mass: 26.981539 reduced_to: 24 - symbol: Al # 25 coordinates: [ 0.000000000000000, 0.500000000000000, 0.003519840000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.503519840000000 ] mass: 26.981539 reduced_to: 22 - symbol: Al # 27 coordinates: [ 0.250000000000000, 0.426093780000000, 0.953905370000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 28 coordinates: [ 0.250000000000000, 0.073906220000000, 0.453905370000000 ] mass: 26.981539 reduced_to: 24 - symbol: Ca # 29 coordinates: [ 0.892896600000000, 0.025142610000000, 0.996745650000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 30 coordinates: [ 0.607103400000000, 0.474857390000000, 0.496745650000000 ] mass: 40.078000 reduced_to: 30 - symbol: Ca # 31 coordinates: [ 0.892896600000000, 0.474857390000000, 0.496745650000000 ] mass: 40.078000 reduced_to: 31 - symbol: Ca # 32 coordinates: [ 0.607103400000000, 0.025142610000000, 0.996745650000000 ] mass: 40.078000 reduced_to: 32 - symbol: Ca # 33 coordinates: [ 0.392896600000000, 0.525142610000000, 0.496745650000000 ] mass: 40.078000 reduced_to: 29 - symbol: Ca # 34 coordinates: [ 0.107103400000000, 0.974857390000000, 0.996745650000000 ] mass: 40.078000 reduced_to: 30 - symbol: Ca # 35 coordinates: [ 0.392896600000000, 0.974857390000000, 0.996745650000000 ] mass: 40.078000 reduced_to: 31 - symbol: Ca # 36 coordinates: [ 0.107103400000000, 0.525142610000000, 0.496745650000000 ] mass: 40.078000 reduced_to: 32supercell: lattice: - [ 14.336140470000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.803012839999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.444342519999999 ] # c points: - symbol: O # 1 coordinates: [ 0.510877090000000, 0.373693915000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.510877090000000, 0.873693915000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.510877090000000, 0.373693915000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.510877090000000, 0.873693915000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.989122910000000, 0.376306085000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.989122910000000, 0.876306085000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.989122910000000, 0.376306085000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 8 coordinates: [ 0.989122910000000, 0.876306085000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 9 coordinates: [ 0.510877090000000, 0.376306085000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.510877090000000, 0.876306085000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.510877090000000, 0.376306085000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 12 coordinates: [ 0.510877090000000, 0.876306085000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 13 coordinates: [ 0.989122910000000, 0.373693915000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.989122910000000, 0.873693915000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.989122910000000, 0.373693915000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.989122910000000, 0.873693915000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.750000000000000, 0.433084925000000, 0.057523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.750000000000000, 0.933084925000000, 0.057523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.750000000000000, 0.433084925000000, 0.557523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.750000000000000, 0.933084925000000, 0.557523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.750000000000000, 0.316915075000000, 0.307523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.750000000000000, 0.816915075000000, 0.307523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.750000000000000, 0.316915075000000, 0.807523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 24 coordinates: [ 0.750000000000000, 0.816915075000000, 0.807523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 25 coordinates: [ 0.859260390000000, 0.029037135000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.859260390000000, 0.529037135000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.859260390000000, 0.029037135000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.859260390000000, 0.529037135000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.640739610000000, 0.220962865000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.640739610000000, 0.720962865000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.640739610000000, 0.220962865000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 32 coordinates: [ 0.640739610000000, 0.720962865000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 33 coordinates: [ 0.640739610000000, 0.029037135000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.640739610000000, 0.529037135000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.640739610000000, 0.029037135000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.640739610000000, 0.529037135000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.859260390000000, 0.220962865000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.859260390000000, 0.720962865000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.859260390000000, 0.220962865000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.859260390000000, 0.720962865000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.010877090000000, 0.123693915000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 42 coordinates: [ 0.010877090000000, 0.623693915000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 43 coordinates: [ 0.010877090000000, 0.123693915000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 44 coordinates: [ 0.010877090000000, 0.623693915000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 45 coordinates: [ 0.489122910000000, 0.126306085000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 46 coordinates: [ 0.489122910000000, 0.626306085000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 47 coordinates: [ 0.489122910000000, 0.126306085000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 48 coordinates: [ 0.489122910000000, 0.626306085000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 49 coordinates: [ 0.010877090000000, 0.126306085000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 50 coordinates: [ 0.010877090000000, 0.626306085000000, 0.376058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 51 coordinates: [ 0.010877090000000, 0.126306085000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 52 coordinates: [ 0.010877090000000, 0.626306085000000, 0.876058580000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 53 coordinates: [ 0.489122910000000, 0.123693915000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 54 coordinates: [ 0.489122910000000, 0.623693915000000, 0.126058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 55 coordinates: [ 0.489122910000000, 0.123693915000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 56 coordinates: [ 0.489122910000000, 0.623693915000000, 0.626058580000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 57 coordinates: [ 0.250000000000000, 0.183084925000000, 0.307523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 58 coordinates: [ 0.250000000000000, 0.683084925000000, 0.307523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 59 coordinates: [ 0.250000000000000, 0.183084925000000, 0.807523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 60 coordinates: [ 0.250000000000000, 0.683084925000000, 0.807523275000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 61 coordinates: [ 0.250000000000000, 0.066915075000000, 0.057523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 62 coordinates: [ 0.250000000000000, 0.566915075000000, 0.057523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 63 coordinates: [ 0.250000000000000, 0.066915075000000, 0.557523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 64 coordinates: [ 0.250000000000000, 0.566915075000000, 0.557523275000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 65 coordinates: [ 0.359260390000000, 0.279037135000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 66 coordinates: [ 0.359260390000000, 0.779037135000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 67 coordinates: [ 0.359260390000000, 0.279037135000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 68 coordinates: [ 0.359260390000000, 0.779037135000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 69 coordinates: [ 0.140739610000000, 0.470962865000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 70 coordinates: [ 0.140739610000000, 0.970962865000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 71 coordinates: [ 0.140739610000000, 0.470962865000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 72 coordinates: [ 0.140739610000000, 0.970962865000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 73 coordinates: [ 0.140739610000000, 0.279037135000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 74 coordinates: [ 0.140739610000000, 0.779037135000000, 0.009626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 75 coordinates: [ 0.140739610000000, 0.279037135000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 76 coordinates: [ 0.140739610000000, 0.779037135000000, 0.509626900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 77 coordinates: [ 0.359260390000000, 0.470962865000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 78 coordinates: [ 0.359260390000000, 0.970962865000000, 0.259626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 79 coordinates: [ 0.359260390000000, 0.470962865000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 80 coordinates: [ 0.359260390000000, 0.970962865000000, 0.759626900000000 ] mass: 15.999400 reduced_to: 37 - symbol: Al # 81 coordinates: [ 0.500000000000000, 0.000000000000000, 0.251759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 82 coordinates: [ 0.500000000000000, 0.500000000000000, 0.251759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 83 coordinates: [ 0.500000000000000, 0.000000000000000, 0.751759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.751759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 85 coordinates: [ 0.500000000000000, 0.250000000000000, 0.001759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 86 coordinates: [ 0.500000000000000, 0.750000000000000, 0.001759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 87 coordinates: [ 0.500000000000000, 0.250000000000000, 0.501759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 88 coordinates: [ 0.500000000000000, 0.750000000000000, 0.501759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 89 coordinates: [ 0.750000000000000, 0.463046890000000, 0.226952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 90 coordinates: [ 0.750000000000000, 0.963046890000000, 0.226952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 91 coordinates: [ 0.750000000000000, 0.463046890000000, 0.726952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 92 coordinates: [ 0.750000000000000, 0.963046890000000, 0.726952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 93 coordinates: [ 0.750000000000000, 0.286953110000000, 0.476952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 94 coordinates: [ 0.750000000000000, 0.786953110000000, 0.476952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 95 coordinates: [ 0.750000000000000, 0.286953110000000, 0.976952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 96 coordinates: [ 0.750000000000000, 0.786953110000000, 0.976952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 97 coordinates: [ 0.000000000000000, 0.250000000000000, 0.001759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 98 coordinates: [ 0.000000000000000, 0.750000000000000, 0.001759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 99 coordinates: [ 0.000000000000000, 0.250000000000000, 0.501759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 100 coordinates: [ 0.000000000000000, 0.750000000000000, 0.501759920000000 ] mass: 26.981539 reduced_to: 81 - symbol: Al # 101 coordinates: [ 0.000000000000000, 0.000000000000000, 0.251759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 102 coordinates: [ 0.000000000000000, 0.500000000000000, 0.251759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 103 coordinates: [ 0.000000000000000, 0.000000000000000, 0.751759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 104 coordinates: [ 0.000000000000000, 0.500000000000000, 0.751759920000000 ] mass: 26.981539 reduced_to: 85 - symbol: Al # 105 coordinates: [ 0.250000000000000, 0.213046890000000, 0.476952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 106 coordinates: [ 0.250000000000000, 0.713046890000000, 0.476952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 107 coordinates: [ 0.250000000000000, 0.213046890000000, 0.976952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 108 coordinates: [ 0.250000000000000, 0.713046890000000, 0.976952685000000 ] mass: 26.981539 reduced_to: 89 - symbol: Al # 109 coordinates: [ 0.250000000000000, 0.036953110000000, 0.226952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 110 coordinates: [ 0.250000000000000, 0.536953110000000, 0.226952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 111 coordinates: [ 0.250000000000000, 0.036953110000000, 0.726952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Al # 112 coordinates: [ 0.250000000000000, 0.536953110000000, 0.726952685000000 ] mass: 26.981539 reduced_to: 93 - symbol: Ca # 113 coordinates: [ 0.892896600000000, 0.012571305000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 114 coordinates: [ 0.892896600000000, 0.512571305000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 115 coordinates: [ 0.892896600000000, 0.012571305000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 116 coordinates: [ 0.892896600000000, 0.512571305000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 117 coordinates: [ 0.607103400000000, 0.237428695000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 118 coordinates: [ 0.607103400000000, 0.737428695000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 119 coordinates: [ 0.607103400000000, 0.237428695000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 120 coordinates: [ 0.607103400000000, 0.737428695000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 121 coordinates: [ 0.892896600000000, 0.237428695000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 122 coordinates: [ 0.892896600000000, 0.737428695000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 123 coordinates: [ 0.892896600000000, 0.237428695000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 124 coordinates: [ 0.892896600000000, 0.737428695000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 125 coordinates: [ 0.607103400000000, 0.012571305000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 125 - symbol: Ca # 126 coordinates: [ 0.607103400000000, 0.512571305000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 125 - symbol: Ca # 127 coordinates: [ 0.607103400000000, 0.012571305000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 125 - symbol: Ca # 128 coordinates: [ 0.607103400000000, 0.512571305000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 125 - symbol: Ca # 129 coordinates: [ 0.392896600000000, 0.262571305000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 130 coordinates: [ 0.392896600000000, 0.762571305000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 131 coordinates: [ 0.392896600000000, 0.262571305000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 132 coordinates: [ 0.392896600000000, 0.762571305000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 113 - symbol: Ca # 133 coordinates: [ 0.107103400000000, 0.487428695000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 134 coordinates: [ 0.107103400000000, 0.987428695000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 135 coordinates: [ 0.107103400000000, 0.487428695000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 136 coordinates: [ 0.107103400000000, 0.987428695000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 117 - symbol: Ca # 137 coordinates: [ 0.392896600000000, 0.487428695000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 138 coordinates: [ 0.392896600000000, 0.987428695000000, 0.498372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 139 coordinates: [ 0.392896600000000, 0.487428695000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 140 coordinates: [ 0.392896600000000, 0.987428695000000, 0.998372825000000 ] mass: 40.078000 reduced_to: 121 - symbol: Ca # 141 coordinates: [ 0.107103400000000, 0.262571305000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 125 - symbol: Ca # 142 coordinates: [ 0.107103400000000, 0.762571305000000, 0.248372825000000 ] mass: 40.078000 reduced_to: 125 - symbol: Ca # 143 coordinates: [ 0.107103400000000, 0.262571305000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 125 - symbol: Ca # 144 coordinates: [ 0.107103400000000, 0.762571305000000, 0.748372825000000 ] mass: 40.078000 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0826964400000000, 0.0001022100000000, 0.0004621200000000 ] - [ -0.0016281500000000, -0.0000038100000000, -0.0000446700000000 ] - [ -0.0013821400000000, 0.0000203400000000, -0.0000307300000000 ] - [ -0.0007592400000000, 0.0000194800000000, -0.0000367300000000 ] - [ 0.0011941100000000, -0.0000017200000000, -0.0000830100000000 ] - [ 0.0007275500000000, -0.0000458000000000, -0.0000590800000000 ] - [ 0.0011949300000000, 0.0000072300000000, -0.0000091300000000 ] - [ 0.0007272900000000, -0.0000257400000000, -0.0000242900000000 ] - [ -0.0074637700000000, -0.0001465000000000, -0.0003570300000000 ] - [ -0.0011160100000000, 0.0000174900000000, -0.0002006500000000 ] - [ -0.0074634500000000, 0.0001385500000000, 0.0003013100000000 ] - [ -0.0011150200000000, -0.0000130600000000, 0.0001172900000000 ] - [ 0.0015986000000000, 0.0000444900000000, 0.0000097200000000 ] - [ 0.0008594200000000, 0.0000112300000000, -0.0000134900000000 ] - [ 0.0008426600000000, 0.0000377100000000, -0.0000411000000000 ] - [ 0.0006011300000000, 0.0000155400000000, -0.0000416600000000 ] - [ 0.0008081600000000, -0.0003493100000000, -0.0017657900000000 ] - [ 0.0002043700000000, 0.0000117400000000, -0.0004160300000000 ] - [ 0.0023026900000000, 0.0006109400000000, 0.0017814600000000 ] - [ 0.0004441500000000, -0.0001251200000000, 0.0003077600000000 ] - [ 0.0040484700000000, -0.0005630100000000, -0.0010204300000000 ] - [ 0.0005567500000000, 0.0002091000000000, -0.0001649700000000 ] - [ 0.0002798300000000, -0.0001861000000000, 0.0003573900000000 ] - [ 0.0001274300000000, -0.0001171200000000, 0.0000376200000000 ] - [ 0.0010020500000000, -0.0001983700000000, -0.0001190000000000 ] - [ 0.0025969500000000, 0.0005206900000000, -0.0001376500000000 ] - [ 0.0006967000000000, -0.0000704500000000, 0.0002305900000000 ] - [ 0.0010203000000000, 0.0003681900000000, 0.0004181000000000 ] - [ -0.0009011000000000, -0.0001318300000000, -0.0014223800000000 ] - [ -0.0007866800000000, 0.0003997400000000, -0.0005149200000000 ] - [ 0.0058887700000000, -0.0096040900000000, 0.0081767500000000 ] - [ -0.0006928900000000, 0.0028548700000000, 0.0000442600000000 ] - [ -0.0008337500000000, -0.0025079200000000, 0.0000922000000000 ] - [ 0.0076220500000000, 0.0109789500000000, -0.0085934100000000 ] - [ -0.0007890800000000, -0.0003970300000000, 0.0005971200000000 ] - [ -0.0009755700000000, 0.0001661400000000, 0.0010441600000000 ] - [ 0.0009631000000000, -0.0003543300000000, -0.0001470500000000 ] - [ 0.0006825500000000, 0.0000958800000000, -0.0001028600000000 ] - [ 0.0026441400000000, -0.0004871900000000, 0.0003839400000000 ] - [ 0.0010300600000000, 0.0001062400000000, 0.0001855100000000 ] - [ 0.0009352500000000, -0.0000036000000000, -0.0000765900000000 ] - [ 0.0010702400000000, 0.0000099300000000, -0.0000323600000000 ] - [ 0.0010708200000000, 0.0000447300000000, -0.0000531600000000 ] - [ 0.0009351800000000, 0.0000226200000000, -0.0000430800000000 ] - [ -0.0060011800000000, 0.0035869800000000, 0.0001417900000000 ] - [ -0.0057772600000000, -0.0033480900000000, -0.0001871200000000 ] - [ -0.0011903400000000, 0.0001496000000000, -0.0000179400000000 ] - [ -0.0010768400000000, -0.0001909200000000, -0.0000376600000000 ] - [ 0.0012591300000000, -0.0000290300000000, 0.0000129200000000 ] - [ 0.0012246700000000, -0.0000379500000000, -0.0000360600000000 ] - [ 0.0007476400000000, -0.0000209400000000, -0.0000479900000000 ] - [ 0.0007752800000000, -0.0000357600000000, -0.0000534900000000 ] - [ -0.0030239200000000, 0.0004903400000000, 0.0002880400000000 ] - [ -0.0026677600000000, -0.0004007000000000, 0.0002993400000000 ] - [ -0.0026680200000000, 0.0004544600000000, -0.0003364500000000 ] - [ -0.0030234400000000, -0.0003766000000000, -0.0003032100000000 ] - [ 0.0025231800000000, 0.0019278500000000, 0.0003813600000000 ] - [ 0.0010755100000000, -0.0019010400000000, -0.0004088800000000 ] - [ 0.0003456100000000, 0.0003836000000000, -0.0004889900000000 ] - [ 0.0000600000000000, -0.0004637300000000, -0.0002347400000000 ] - [ 0.0001948700000000, 0.0004594600000000, 0.0003254300000000 ] - [ 0.0013559100000000, -0.0013216400000000, 0.0022102700000000 ] - [ 0.0011108400000000, 0.0022435900000000, -0.0007470100000000 ] - [ 0.0029653000000000, -0.0016460300000000, -0.0011786600000000 ] - [ -0.0009135100000000, 0.0001763900000000, 0.0016966500000000 ] - [ -0.0007340400000000, -0.0002848800000000, 0.0001729600000000 ] - [ 0.0123427900000000, 0.0081632100000000, -0.0104845900000000 ] - [ -0.0009179500000000, -0.0005236100000000, -0.0001477900000000 ] - [ 0.0026522900000000, -0.0001314600000000, 0.0001528200000000 ] - [ 0.0009674100000000, 0.0003869000000000, 0.0002044400000000 ] - [ 0.0010157300000000, 0.0000526900000000, -0.0003146400000000 ] - [ 0.0007039900000000, 0.0001710500000000, -0.0001993700000000 ] - [ 0.0009476900000000, 0.0000850500000000, 0.0001709600000000 ] - [ 0.0007105400000000, -0.0002986500000000, 0.0001132500000000 ] - [ 0.0027373900000000, 0.0000389100000000, -0.0001088600000000 ] - [ 0.0010341500000000, -0.0004127900000000, -0.0000744600000000 ] - [ 0.0151319900000000, -0.0099988600000000, 0.0112706400000000 ] - [ -0.0008572900000000, 0.0005234700000000, 0.0002038100000000 ] - [ -0.0010092200000000, -0.0002897100000000, -0.0010159900000000 ] - [ -0.0007356300000000, 0.0002224900000000, -0.0001920900000000 ] - [ 0.0023860400000000, -0.0005264200000000, -0.0005483600000000 ] - [ 0.0218010200000000, -0.0011872900000000, 0.0011905100000000 ] - [ 0.0012453600000000, -0.0001966200000000, 0.0000436800000000 ] - [ 0.0021735200000000, 0.0000843400000000, 0.0000448000000000 ] - [ 0.0025077700000000, -0.0001110100000000, -0.0000187800000000 ] - [ 0.0012503700000000, 0.0002121300000000, -0.0000059600000000 ] - [ 0.0218429100000000, 0.0013901700000000, -0.0014073800000000 ] - [ 0.0024738500000000, 0.0004706000000000, 0.0006370100000000 ] - [ -0.0050908000000000, 0.0004045200000000, 0.0024012000000000 ] - [ -0.0009707000000000, 0.0002999300000000, 0.0006290600000000 ] - [ -0.0004793200000000, -0.0006323500000000, -0.0017987000000000 ] - [ -0.0003476400000000, 0.0002943600000000, -0.0006576000000000 ] - [ -0.0059844200000000, 0.0000541800000000, -0.0013094900000000 ] - [ -0.0011241100000000, -0.0003837000000000, -0.0002159200000000 ] - [ -0.0005663300000000, 0.0006568000000000, 0.0005232500000000 ] - [ -0.0002886600000000, -0.0001112700000000, 0.0002399700000000 ] - [ -0.0013423700000000, -0.0000698300000000, 0.0000788100000000 ] - [ -0.0010021200000000, -0.0000314500000000, 0.0000374200000000 ] - [ -0.0027798800000000, -0.0001667400000000, 0.0000010100000000 ] - [ -0.0013893300000000, -0.0000459600000000, 0.0000122000000000 ] - [ -0.0013718000000000, 0.0000920600000000, 0.0000112900000000 ] - [ -0.0027174000000000, 0.0001378800000000, 0.0000446000000000 ] - [ -0.0009864100000000, 0.0000416800000000, 0.0000401700000000 ] - [ -0.0013925100000000, 0.0000323000000000, 0.0000312100000000 ] - [ -0.0050382300000000, -0.0026992100000000, -0.0009369900000000 ] - [ -0.0003451200000000, 0.0017294700000000, 0.0002554100000000 ] - [ -0.0008539900000000, -0.0003499000000000, -0.0002855800000000 ] - [ 0.0000111800000000, 0.0011271700000000, -0.0003676700000000 ] - [ -0.0003884000000000, -0.0017981100000000, -0.0008210000000000 ] - [ -0.0048565900000000, 0.0024966600000000, -0.0007652800000000 ] - [ -0.0001297700000000, -0.0008602400000000, 0.0010388300000000 ] - [ -0.0006580600000000, 0.0002656700000000, 0.0015840600000000 ] - [ -0.0012044300000000, 0.0004745500000000, -0.0000532000000000 ] - [ -0.0019044200000000, -0.0004437600000000, -0.0002267500000000 ] - [ -0.0006721500000000, 0.0001526900000000, 0.0001074300000000 ] - [ -0.0011826100000000, -0.0001479100000000, 0.0003311000000000 ] - [ 0.0088156300000000, 0.0007090600000000, -0.0004458200000000 ] - [ 0.0023467700000000, -0.0021123800000000, 0.0001921500000000 ] - [ 0.0018346300000000, -0.0001374400000000, -0.0017331300000000 ] - [ 0.0008876400000000, -0.0002586300000000, -0.0003889500000000 ] - [ -0.0020997200000000, 0.0005004100000000, 0.0005129700000000 ] - [ -0.0012117500000000, -0.0004544000000000, 0.0001204700000000 ] - [ -0.0011585800000000, 0.0001144600000000, -0.0003675000000000 ] - [ -0.0006959500000000, -0.0001434900000000, -0.0000848900000000 ] - [ 0.0023262800000000, 0.0020259700000000, 0.0000108600000000 ] - [ 0.0089242100000000, -0.0001598300000000, 0.0009486300000000 ] - [ 0.0008962300000000, 0.0003241000000000, 0.0003114000000000 ] - [ 0.0017592800000000, 0.0000246700000000, 0.0015668100000000 ] - [ 0.0059552900000000, -0.0033713300000000, -0.0027388000000000 ] - [ 0.0012984700000000, 0.0014020400000000, -0.0003543200000000 ] - [ 0.0020216400000000, -0.0003811800000000, 0.0019440800000000 ] - [ 0.0008637100000000, 0.0003057700000000, 0.0002067700000000 ] - [ -0.0019977700000000, 0.0002254300000000, 0.0001446700000000 ] - [ -0.0012518600000000, -0.0002712900000000, 0.0000284000000000 ] - [ -0.0012768100000000, -0.0000392400000000, -0.0002802700000000 ] - [ -0.0007700700000000, -0.0000626800000000, -0.0000624300000000 ] - [ 0.0056991500000000, 0.0030001600000000, 0.0023550200000000 ] - [ 0.0013041600000000, -0.0013278500000000, 0.0002608700000000 ] - [ 0.0019335300000000, 0.0003657300000000, -0.0018101000000000 ] - [ 0.0008135500000000, -0.0003162800000000, -0.0001672000000000 ] - [ -0.0019746700000000, -0.0002155700000000, -0.0004162000000000 ] - [ -0.0011886400000000, 0.0002560200000000, -0.0001530100000000 ] - [ -0.0012212200000000, -0.0000861600000000, 0.0003627800000000 ] - [ -0.0008155200000000, 0.0001429500000000, 0.0001476700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0831091600000000, -0.0001898600000000, -0.0004863300000000 ] - [ 0.0016616000000000, 0.0000506300000000, -0.0000285100000000 ] - [ 0.0014249500000000, 0.0000283000000000, -0.0000414300000000 ] - [ 0.0008000700000000, 0.0000271300000000, -0.0000358400000000 ] - [ -0.0012354100000000, -0.0000467900000000, 0.0000061700000000 ] - [ -0.0007672100000000, -0.0000016800000000, -0.0000167900000000 ] - [ -0.0012343300000000, -0.0000527100000000, -0.0000639600000000 ] - [ -0.0007678300000000, -0.0000234700000000, -0.0000489800000000 ] - [ 0.0075007700000000, 0.0001006900000000, 0.0004533100000000 ] - [ 0.0011540300000000, -0.0000675800000000, 0.0001312300000000 ] - [ 0.0075000100000000, -0.0001928000000000, -0.0005414700000000 ] - [ 0.0011544200000000, -0.0000325500000000, -0.0001928900000000 ] - [ -0.0016379300000000, 0.0000039300000000, -0.0000829100000000 ] - [ -0.0008992500000000, 0.0000350300000000, -0.0000596900000000 ] - [ -0.0008838000000000, 0.0000100900000000, -0.0000316900000000 ] - [ -0.0006410500000000, 0.0000316600000000, -0.0000311200000000 ] - [ -0.0008136500000000, 0.0004546700000000, 0.0016607900000000 ] - [ -0.0002076300000000, 0.0000941100000000, 0.0003149200000000 ] - [ -0.0022990600000000, -0.0005017800000000, -0.0018727300000000 ] - [ -0.0004502900000000, 0.0002318000000000, -0.0004083000000000 ] - [ -0.0040176500000000, 0.0004501700000000, 0.0009068700000000 ] - [ -0.0005604600000000, -0.0003132900000000, 0.0000642500000000 ] - [ -0.0002886300000000, 0.0000775300000000, -0.0004572800000000 ] - [ -0.0001312800000000, 0.0000093800000000, -0.0001386600000000 ] - [ -0.0009977300000000, 0.0002389400000000, 0.0001903300000000 ] - [ -0.0025892200000000, -0.0004748400000000, 0.0002080500000000 ] - [ -0.0006924900000000, 0.0001118700000000, -0.0001572400000000 ] - [ -0.0010171800000000, -0.0003230900000000, -0.0003439600000000 ] - [ 0.0008846000000000, 0.0000951900000000, 0.0014880100000000 ] - [ 0.0007759600000000, -0.0004448800000000, 0.0005859200000000 ] - [ -0.0058760300000000, 0.0094622800000000, -0.0080252600000000 ] - [ 0.0006812800000000, -0.0028815500000000, 0.0000222800000000 ] - [ 0.0008185900000000, 0.0025394100000000, -0.0000120200000000 ] - [ -0.0075998600000000, -0.0108212800000000, 0.0085864100000000 ] - [ 0.0007764700000000, 0.0004433100000000, -0.0005224500000000 ] - [ 0.0009571200000000, -0.0001269900000000, -0.0009658400000000 ] - [ -0.0009586900000000, 0.0003102000000000, 0.0002182800000000 ] - [ -0.0006778300000000, -0.0001387200000000, 0.0001736100000000 ] - [ -0.0026348100000000, 0.0004423200000000, -0.0003093700000000 ] - [ -0.0010240100000000, -0.0001494800000000, -0.0001127600000000 ] - [ -0.0008961300000000, 0.0000503100000000, 0.0000015000000000 ] - [ -0.0010335300000000, 0.0000387100000000, -0.0000414900000000 ] - [ -0.0010325400000000, 0.0000009300000000, -0.0000190400000000 ] - [ -0.0008969900000000, 0.0000260100000000, -0.0000294900000000 ] - [ 0.0059828300000000, -0.0035235700000000, -0.0002145100000000 ] - [ 0.0057595400000000, 0.0031951200000000, 0.0001069100000000 ] - [ 0.0011538300000000, -0.0001924000000000, -0.0000598000000000 ] - [ 0.0010409800000000, 0.0001391600000000, -0.0000345400000000 ] - [ -0.0012212100000000, -0.0000202100000000, -0.0000854900000000 ] - [ -0.0011859800000000, -0.0000084400000000, -0.0000345100000000 ] - [ -0.0007085300000000, -0.0000276700000000, -0.0000222700000000 ] - [ -0.0007387800000000, -0.0000100800000000, -0.0000198200000000 ] - [ 0.0029888900000000, -0.0004406400000000, -0.0003596600000000 ] - [ 0.0026325800000000, 0.0004377200000000, -0.0003638000000000 ] - [ 0.0026319100000000, -0.0003969900000000, 0.0002548700000000 ] - [ 0.0029888000000000, 0.0004220900000000, 0.0002307700000000 ] - [ -0.0025310900000000, -0.0018283700000000, -0.0004799300000000 ] - [ -0.0010738600000000, 0.0020152600000000, 0.0003102700000000 ] - [ -0.0003410600000000, -0.0002805200000000, 0.0003918800000000 ] - [ -0.0000585900000000, 0.0005697400000000, 0.0001360500000000 ] - [ -0.0001982800000000, -0.0005683700000000, -0.0004289700000000 ] - [ -0.0013589400000000, 0.0012224900000000, -0.0023220500000000 ] - [ -0.0011111000000000, -0.0023588600000000, 0.0006506100000000 ] - [ -0.0029827800000000, 0.0015429500000000, 0.0010799800000000 ] - [ 0.0009306000000000, -0.0001277900000000, -0.0016353700000000 ] - [ 0.0007420800000000, 0.0003253900000000, -0.0000990700000000 ] - [ -0.0124557100000000, -0.0082194500000000, 0.0107047000000000 ] - [ 0.0009317600000000, 0.0005685100000000, 0.0002141000000000 ] - [ -0.0026584900000000, 0.0000908000000000, -0.0000796100000000 ] - [ -0.0009691100000000, -0.0004298500000000, -0.0001342900000000 ] - [ -0.0010200300000000, -0.0000949500000000, 0.0003884600000000 ] - [ -0.0007079000000000, -0.0002140800000000, 0.0002739600000000 ] - [ -0.0009518900000000, -0.0000450100000000, -0.0000992400000000 ] - [ -0.0007147300000000, 0.0003445000000000, -0.0000407000000000 ] - [ -0.0027449700000000, 0.0000043700000000, 0.0001815200000000 ] - [ -0.0010389500000000, 0.0004568000000000, 0.0001474700000000 ] - [ -0.0152879900000000, 0.0100928900000000, -0.0113638500000000 ] - [ 0.0008754400000000, -0.0005693300000000, -0.0001270400000000 ] - [ 0.0010249500000000, 0.0002439300000000, 0.0010927600000000 ] - [ 0.0007433600000000, -0.0002635700000000, 0.0002631800000000 ] - [ -0.0023797900000000, 0.0005138600000000, 0.0005780500000000 ] - [ -0.0217459000000000, 0.0011889900000000, -0.0011251700000000 ] - [ -0.0012458700000000, 0.0001923900000000, 0.0000239600000000 ] - [ -0.0021818400000000, -0.0000382900000000, 0.0000333600000000 ] - [ -0.0025165200000000, 0.0000672200000000, 0.0000687800000000 ] - [ -0.0012509800000000, -0.0002077000000000, 0.0000642300000000 ] - [ -0.0217766900000000, -0.0013733100000000, 0.0014375700000000 ] - [ -0.0024674600000000, -0.0004603500000000, -0.0005415600000000 ] - [ 0.0050910000000000, -0.0004277300000000, -0.0023734600000000 ] - [ 0.0009734300000000, -0.0003066500000000, -0.0006117600000000 ] - [ 0.0004856200000000, 0.0006255400000000, 0.0018034700000000 ] - [ 0.0003507900000000, -0.0003001500000000, 0.0006695400000000 ] - [ 0.0059635300000000, -0.0000281700000000, 0.0012974700000000 ] - [ 0.0011237400000000, 0.0003888000000000, 0.0002257300000000 ] - [ 0.0005704500000000, -0.0006503400000000, -0.0005062500000000 ] - [ 0.0002907600000000, 0.0001166200000000, -0.0002272300000000 ] - [ 0.0013422000000000, 0.0000718900000000, -0.0000140300000000 ] - [ 0.0010019300000000, 0.0000294400000000, 0.0000255700000000 ] - [ 0.0027795600000000, 0.0001650800000000, 0.0000602800000000 ] - [ 0.0013892400000000, 0.0000460500000000, 0.0000503100000000 ] - [ 0.0013706300000000, -0.0000891900000000, 0.0000534600000000 ] - [ 0.0027166300000000, -0.0001394300000000, 0.0000182500000000 ] - [ 0.0009856800000000, -0.0000410600000000, 0.0000200600000000 ] - [ 0.0013931500000000, -0.0000327900000000, 0.0000323500000000 ] - [ 0.0050401000000000, 0.0027013600000000, 0.0009565100000000 ] - [ 0.0003404500000000, -0.0017420500000000, -0.0002401900000000 ] - [ 0.0008520900000000, 0.0003439400000000, 0.0003013600000000 ] - [ -0.0000153200000000, -0.0011363700000000, 0.0003830200000000 ] - [ 0.0003806200000000, 0.0018124400000000, 0.0008344600000000 ] - [ 0.0048534900000000, -0.0024928100000000, 0.0007745000000000 ] - [ 0.0001268200000000, 0.0008711700000000, -0.0010274900000000 ] - [ 0.0006571400000000, -0.0002612100000000, -0.0015772800000000 ] - [ 0.0012628700000000, -0.0004438700000000, 0.0000650000000000 ] - [ 0.0019586500000000, 0.0004691800000000, 0.0002378100000000 ] - [ 0.0007311900000000, -0.0001230100000000, -0.0000946100000000 ] - [ 0.0012406200000000, 0.0001746100000000, -0.0003177200000000 ] - [ -0.0086480700000000, -0.0009828200000000, 0.0002344700000000 ] - [ -0.0023869400000000, 0.0020882300000000, -0.0001852900000000 ] - [ -0.0018741500000000, 0.0000934800000000, 0.0017486900000000 ] - [ -0.0009418700000000, 0.0002301300000000, 0.0004003400000000 ] - [ 0.0021507700000000, -0.0005257000000000, -0.0004977200000000 ] - [ 0.0012681700000000, 0.0004246800000000, -0.0001071500000000 ] - [ 0.0012174700000000, -0.0001428100000000, 0.0003778100000000 ] - [ 0.0007537700000000, 0.0001148200000000, 0.0000967100000000 ] - [ -0.0023659000000000, -0.0019994400000000, 0.0000095300000000 ] - [ -0.0087515800000000, 0.0004605400000000, -0.0006918000000000 ] - [ -0.0009517600000000, -0.0002944400000000, -0.0002961300000000 ] - [ -0.0017988400000000, 0.0000188800000000, -0.0015559700000000 ] - [ -0.0062325500000000, 0.0031745800000000, 0.0025045100000000 ] - [ -0.0012554500000000, -0.0013721600000000, 0.0003574700000000 ] - [ -0.0019911400000000, 0.0004015500000000, -0.0019316200000000 ] - [ -0.0008104800000000, -0.0002781700000000, -0.0001954000000000 ] - [ 0.0019421300000000, -0.0002568000000000, -0.0001326400000000 ] - [ 0.0011925700000000, 0.0002437600000000, -0.0000160600000000 ] - [ 0.0012184800000000, 0.0000098500000000, 0.0002941100000000 ] - [ 0.0007114600000000, 0.0000347700000000, 0.0000761200000000 ] - [ -0.0059861500000000, -0.0027764100000000, -0.0020792000000000 ] - [ -0.0012631000000000, 0.0012954500000000, -0.0002402100000000 ] - [ -0.0019007800000000, -0.0003863700000000, 0.0018238700000000 ] - [ -0.0007601600000000, 0.0002880900000000, 0.0001801500000000 ] - [ 0.0019173100000000, 0.0002465500000000, 0.0004305500000000 ] - [ 0.0011290300000000, -0.0002267300000000, 0.0001664900000000 ] - [ 0.0011646500000000, 0.0001151400000000, -0.0003518600000000 ] - [ 0.0007570500000000, -0.0001155500000000, -0.0001355300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003031900000000, -0.1540243500000000, 0.0593054100000000 ] - [ -0.0000027500000000, 0.0097065500000000, -0.0005091500000000 ] - [ 0.0000152100000000, -0.0010900200000000, -0.0007010200000000 ] - [ 0.0000162900000000, 0.0012089100000000, -0.0001741200000000 ] - [ 0.0000101000000000, -0.0005563800000000, -0.0001376900000000 ] - [ -0.0000203400000000, 0.0004007200000000, 0.0000176700000000 ] - [ 0.0000051200000000, -0.0005549900000000, -0.0001868100000000 ] - [ -0.0000405600000000, 0.0004006900000000, 0.0000347400000000 ] - [ -0.0001476900000000, -0.0093655300000000, -0.0028232000000000 ] - [ 0.0000098100000000, 0.0025017500000000, 0.0000528000000000 ] - [ 0.0001419600000000, -0.0093819500000000, -0.0017921500000000 ] - [ -0.0000210100000000, 0.0025014900000000, 0.0000200700000000 ] - [ -0.0000391300000000, -0.0007380300000000, 0.0002868900000000 ] - [ -0.0000075200000000, 0.0005523500000000, -0.0000907000000000 ] - [ -0.0000332600000000, -0.0003094300000000, -0.0001000200000000 ] - [ -0.0000116400000000, 0.0003527000000000, -0.0001161100000000 ] - [ 0.0007952400000000, -0.0016689700000000, -0.0013077300000000 ] - [ -0.0003829300000000, 0.0009728500000000, 0.0003809600000000 ] - [ 0.0014380500000000, -0.0030605000000000, 0.0003407600000000 ] - [ -0.0004769300000000, 0.0018337000000000, -0.0000094200000000 ] - [ -0.0016437700000000, -0.0033956500000000, 0.0006202500000000 ] - [ 0.0004941000000000, 0.0017911900000000, -0.0002844600000000 ] - [ -0.0003855900000000, -0.0010364200000000, -0.0001755600000000 ] - [ 0.0002044700000000, 0.0006946800000000, -0.0001859300000000 ] - [ -0.0005044200000000, 0.0004357300000000, 0.0001129800000000 ] - [ 0.0015597800000000, -0.0006463200000000, 0.0001458200000000 ] - [ -0.0002554900000000, 0.0002562900000000, -0.0000964100000000 ] - [ 0.0002196100000000, -0.0001397700000000, 0.0000945600000000 ] - [ -0.0004143400000000, -0.0009630700000000, 0.0016530300000000 ] - [ 0.0003455000000000, 0.0009415000000000, -0.0008256400000000 ] - [ -0.0113368100000000, 0.0039144700000000, -0.0073488900000000 ] - [ 0.0017808500000000, 0.0036712200000000, 0.0009477400000000 ] - [ -0.0020783100000000, 0.0035613600000000, 0.0009285700000000 ] - [ 0.0132803200000000, 0.0051469800000000, -0.0079177300000000 ] - [ -0.0003598600000000, 0.0009544300000000, -0.0006383800000000 ] - [ 0.0002832900000000, -0.0007448400000000, 0.0009465700000000 ] - [ -0.0001766200000000, -0.0003613700000000, 0.0000333300000000 ] - [ 0.0002195500000000, 0.0002886200000000, -0.0000910700000000 ] - [ -0.0015348400000000, -0.0005581400000000, 0.0000324900000000 ] - [ 0.0005277300000000, 0.0003420100000000, 0.0001758600000000 ] - [ 0.0000179900000000, -0.0000192500000000, 0.0000800800000000 ] - [ 0.0000415800000000, 0.0001699300000000, -0.0001922500000000 ] - [ 0.0000053600000000, 0.0001704200000000, -0.0002114900000000 ] - [ -0.0000071700000000, -0.0000211500000000, 0.0000640100000000 ] - [ 0.0034978600000000, 0.0326263800000000, 0.0017140000000000 ] - [ -0.0033241200000000, 0.0292522900000000, 0.0016649300000000 ] - [ 0.0001522500000000, 0.0000592600000000, -0.0001264900000000 ] - [ -0.0001838500000000, -0.0000043500000000, -0.0001128600000000 ] - [ 0.0000239200000000, 0.0000850800000000, 0.0000917200000000 ] - [ 0.0000354400000000, 0.0000830800000000, 0.0000903800000000 ] - [ 0.0000174300000000, -0.0000448300000000, -0.0001057100000000 ] - [ 0.0000324400000000, 0.0000026500000000, -0.0001052000000000 ] - [ 0.0003794600000000, 0.0007908000000000, 0.0035448200000000 ] - [ -0.0004457200000000, 0.0015633800000000, -0.0036792900000000 ] - [ 0.0003990100000000, 0.0015787300000000, -0.0037173300000000 ] - [ -0.0004860600000000, 0.0007683000000000, 0.0035486700000000 ] - [ 0.0021865100000000, 0.0005374900000000, 0.0000744800000000 ] - [ -0.0011260100000000, 0.0010508000000000, -0.0000133800000000 ] - [ 0.0003262500000000, 0.0000593600000000, -0.0004274600000000 ] - [ -0.0001635000000000, 0.0002268500000000, 0.0000571800000000 ] - [ 0.0003863000000000, 0.0000594500000000, 0.0003728400000000 ] - [ -0.0008516800000000, 0.0005435600000000, -0.0013521200000000 ] - [ 0.0009901300000000, 0.0010575700000000, -0.0005581100000000 ] - [ -0.0025473000000000, 0.0005429800000000, 0.0008883900000000 ] - [ 0.0001147100000000, -0.0013308000000000, 0.0009162900000000 ] - [ -0.0002433800000000, 0.0010609300000000, -0.0003787600000000 ] - [ 0.0105179900000000, -0.0013552600000000, -0.0058881600000000 ] - [ -0.0012870400000000, 0.0027662700000000, 0.0010202000000000 ] - [ -0.0013653700000000, -0.0004800600000000, 0.0001113600000000 ] - [ 0.0005736300000000, 0.0005822700000000, 0.0001090800000000 ] - [ -0.0002710100000000, -0.0004852700000000, 0.0001454100000000 ] - [ 0.0003009900000000, 0.0003672300000000, -0.0001192600000000 ] - [ 0.0002519200000000, -0.0003987600000000, -0.0000117500000000 ] - [ -0.0002667000000000, 0.0004806200000000, -0.0000104900000000 ] - [ 0.0014237400000000, -0.0005022400000000, 0.0000455100000000 ] - [ -0.0005935100000000, 0.0006715900000000, 0.0001267700000000 ] - [ -0.0124645400000000, -0.0007670900000000, -0.0063576000000000 ] - [ 0.0016433400000000, 0.0027772200000000, 0.0011180700000000 ] - [ -0.0000578400000000, -0.0012933400000000, 0.0004703800000000 ] - [ 0.0002448700000000, 0.0009739700000000, -0.0003271800000000 ] - [ 0.0004189700000000, -0.0082670200000000, -0.0058595800000000 ] - [ -0.0013151700000000, 0.0341301800000000, -0.0112358000000000 ] - [ -0.0000720300000000, -0.0022786300000000, 0.0010933800000000 ] - [ 0.0000918300000000, 0.0027252200000000, -0.0009794700000000 ] - [ -0.0000884500000000, 0.0029116500000000, -0.0007920200000000 ] - [ 0.0000935800000000, -0.0022538800000000, 0.0010526000000000 ] - [ 0.0013321200000000, 0.0352176600000000, -0.0119428400000000 ] - [ -0.0002810800000000, -0.0079350800000000, -0.0055580100000000 ] - [ -0.0044585200000000, 0.0050932900000000, 0.0003318800000000 ] - [ 0.0016563300000000, -0.0019613400000000, -0.0001626200000000 ] - [ -0.0006378800000000, 0.0010431900000000, -0.0004775700000000 ] - [ 0.0006146000000000, -0.0010939700000000, 0.0003320700000000 ] - [ 0.0043723900000000, 0.0045122000000000, -0.0006691900000000 ] - [ -0.0016859000000000, -0.0019889400000000, -0.0001467400000000 ] - [ 0.0009334600000000, 0.0013617500000000, 0.0001498100000000 ] - [ -0.0005754900000000, -0.0010252900000000, 0.0001759900000000 ] - [ -0.0000067300000000, 0.0003514400000000, 0.0000784500000000 ] - [ -0.0000140900000000, -0.0003529600000000, 0.0001188100000000 ] - [ 0.0000486800000000, 0.0003844700000000, 0.0000084700000000 ] - [ 0.0000187100000000, -0.0003824400000000, -0.0000530000000000 ] - [ -0.0000122700000000, -0.0003858800000000, -0.0000686400000000 ] - [ -0.0000892000000000, 0.0003913200000000, -0.0000197900000000 ] - [ 0.0000096800000000, -0.0003312500000000, 0.0001208800000000 ] - [ 0.0000007400000000, 0.0003307700000000, 0.0000850200000000 ] - [ -0.0030984200000000, -0.0007688900000000, -0.0006095100000000 ] - [ 0.0010911900000000, -0.0011129800000000, -0.0002244600000000 ] - [ -0.0005652900000000, 0.0003917600000000, -0.0000408600000000 ] - [ 0.0002668000000000, -0.0006948600000000, 0.0002682400000000 ] - [ -0.0011554500000000, -0.0009335100000000, -0.0005984700000000 ] - [ 0.0027946700000000, -0.0010421500000000, 0.0004840200000000 ] - [ -0.0003979300000000, -0.0006050300000000, 0.0006962000000000 ] - [ 0.0003431300000000, 0.0006668300000000, -0.0009148200000000 ] - [ 0.0004310500000000, -0.0006027500000000, 0.0000007400000000 ] - [ -0.0003934300000000, 0.0004698400000000, -0.0001771000000000 ] - [ 0.0001767000000000, -0.0001920700000000, -0.0000307600000000 ] - [ -0.0002792600000000, 0.0001989700000000, 0.0002775500000000 ] - [ 0.0010380900000000, 0.0083634100000000, -0.0020685500000000 ] - [ -0.0015298400000000, -0.0051750700000000, 0.0018246100000000 ] - [ -0.0001440700000000, 0.0012882600000000, 0.0019223000000000 ] - [ -0.0003077600000000, -0.0013459000000000, -0.0007748200000000 ] - [ 0.0004801800000000, 0.0003604500000000, -0.0003101700000000 ] - [ -0.0004237900000000, -0.0006158800000000, 0.0000643800000000 ] - [ 0.0002874100000000, 0.0002997300000000, 0.0002750300000000 ] - [ -0.0000760100000000, -0.0002906400000000, -0.0000346700000000 ] - [ 0.0019408200000000, -0.0052292500000000, 0.0019699800000000 ] - [ -0.0006135800000000, 0.0089995900000000, -0.0018315900000000 ] - [ 0.0002485100000000, -0.0013441100000000, -0.0006520600000000 ] - [ 0.0001000300000000, 0.0011550000000000, 0.0018425600000000 ] - [ -0.0031269300000000, 0.0091621600000000, -0.0031564300000000 ] - [ 0.0019840400000000, -0.0042731000000000, 0.0018758000000000 ] - [ 0.0000404400000000, 0.0011436600000000, 0.0015235200000000 ] - [ 0.0003074800000000, -0.0012924600000000, -0.0005138400000000 ] - [ 0.0004268300000000, 0.0008322600000000, -0.0001336800000000 ] - [ -0.0004212300000000, -0.0007115000000000, 0.0000189900000000 ] - [ 0.0002998300000000, 0.0003638100000000, 0.0002446200000000 ] - [ -0.0002477200000000, -0.0003630500000000, -0.0000472200000000 ] - [ 0.0031598600000000, 0.0090360900000000, -0.0029164800000000 ] - [ -0.0021329500000000, -0.0044101700000000, 0.0019986000000000 ] - [ 0.0000894600000000, 0.0011765900000000, 0.0014941200000000 ] - [ -0.0002812000000000, -0.0013372800000000, -0.0004950200000000 ] - [ -0.0004681100000000, 0.0008442600000000, -0.0003354300000000 ] - [ 0.0003264000000000, -0.0006415600000000, 0.0001241800000000 ] - [ -0.0003633700000000, 0.0003782200000000, 0.0002876000000000 ] - [ 0.0001843900000000, -0.0003856200000000, -0.0000871700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000084200000000, 0.1540922800000000, -0.0594547100000000 ] - [ 0.0000516500000000, -0.0096572400000000, 0.0004356700000000 ] - [ 0.0000238100000000, 0.0011385800000000, 0.0006267000000000 ] - [ 0.0000247700000000, -0.0011614500000000, 0.0001017500000000 ] - [ -0.0000504800000000, 0.0005082500000000, 0.0000611100000000 ] - [ -0.0000188900000000, -0.0004478400000000, -0.0000937700000000 ] - [ -0.0000419500000000, 0.0005093700000000, 0.0001117900000000 ] - [ 0.0000018300000000, -0.0004483200000000, -0.0001078500000000 ] - [ 0.0001843700000000, 0.0093217700000000, 0.0030048600000000 ] - [ 0.0000303100000000, -0.0025489400000000, -0.0001365300000000 ] - [ -0.0001052000000000, 0.0093047500000000, 0.0014596700000000 ] - [ 0.0000635600000000, -0.0025482400000000, -0.0000822300000000 ] - [ 0.0000009600000000, 0.0007854100000000, -0.0003603800000000 ] - [ -0.0000319000000000, -0.0005052200000000, 0.0000165500000000 ] - [ -0.0000060200000000, 0.0003581100000000, 0.0000276200000000 ] - [ -0.0000278700000000, -0.0003052900000000, 0.0000422500000000 ] - [ -0.0007983400000000, 0.0017710000000000, 0.0012022300000000 ] - [ 0.0003852700000000, -0.0008692400000000, -0.0004853300000000 ] - [ -0.0014304200000000, 0.0031540000000000, -0.0004398700000000 ] - [ 0.0004810600000000, -0.0017268500000000, -0.0000876700000000 ] - [ 0.0016350800000000, 0.0032980700000000, -0.0007110300000000 ] - [ -0.0004880400000000, -0.0018914800000000, 0.0001837700000000 ] - [ 0.0003783100000000, 0.0009320200000000, 0.0000778100000000 ] - [ -0.0002048400000000, -0.0007972500000000, 0.0000888100000000 ] - [ 0.0005168400000000, -0.0003906800000000, -0.0000417200000000 ] - [ -0.0015475800000000, 0.0006852600000000, -0.0000742200000000 ] - [ 0.0002633700000000, -0.0002143500000000, 0.0001696100000000 ] - [ -0.0002126000000000, 0.0001823700000000, -0.0000209800000000 ] - [ 0.0003952300000000, 0.0009342000000000, -0.0015924500000000 ] - [ -0.0003536200000000, -0.0009893200000000, 0.0008925200000000 ] - [ 0.0113936700000000, -0.0039366900000000, 0.0074714700000000 ] - [ -0.0017789200000000, -0.0037125100000000, -0.0008660700000000 ] - [ 0.0020828400000000, -0.0035165800000000, -0.0008648300000000 ] - [ -0.0131889800000000, -0.0051043000000000, 0.0079258700000000 ] - [ 0.0003508200000000, -0.0009041400000000, 0.0007148100000000 ] - [ -0.0003052300000000, 0.0007755300000000, -0.0008649900000000 ] - [ 0.0001836500000000, 0.0003201900000000, 0.0000386800000000 ] - [ -0.0002101800000000, -0.0003321700000000, 0.0001619300000000 ] - [ 0.0015469700000000, 0.0005170300000000, 0.0000372000000000 ] - [ -0.0005138800000000, -0.0003855300000000, -0.0001031400000000 ] - [ 0.0000216800000000, 0.0000686500000000, -0.0001552300000000 ] - [ -0.0000021500000000, -0.0001235800000000, 0.0001182400000000 ] - [ 0.0000349200000000, -0.0001223500000000, 0.0001373500000000 ] - [ 0.0000477000000000, 0.0000673300000000, -0.0001368000000000 ] - [ -0.0036147300000000, -0.0332385700000000, -0.0017958100000000 ] - [ 0.0032182400000000, -0.0288066900000000, -0.0017344300000000 ] - [ -0.0001913700000000, -0.0000933300000000, 0.0000497600000000 ] - [ 0.0001456700000000, -0.0000551300000000, 0.0000380900000000 ] - [ 0.0000154100000000, -0.0001303500000000, -0.0001645800000000 ] - [ 0.0000055700000000, -0.0001320800000000, -0.0001627500000000 ] - [ 0.0000242000000000, -0.0000019400000000, 0.0000354300000000 ] - [ 0.0000070200000000, -0.0000505800000000, 0.0000318500000000 ] - [ -0.0004210600000000, -0.0007205600000000, -0.0036372000000000 ] - [ 0.0004051000000000, -0.0015293900000000, 0.0035816900000000 ] - [ -0.0004400200000000, -0.0015146300000000, 0.0036651500000000 ] - [ 0.0004436300000000, -0.0007432200000000, -0.0036003600000000 ] - [ -0.0021849800000000, -0.0004258300000000, -0.0001671800000000 ] - [ 0.0011230700000000, -0.0009594000000000, -0.0000909400000000 ] - [ -0.0003182400000000, 0.0000484900000000, 0.0003274600000000 ] - [ 0.0001631900000000, -0.0001307100000000, -0.0001533200000000 ] - [ -0.0003909800000000, -0.0001562000000000, -0.0004766900000000 ] - [ 0.0008584200000000, -0.0006530000000000, 0.0012566700000000 ] - [ -0.0009896500000000, -0.0011458400000000, 0.0004607900000000 ] - [ 0.0025414600000000, -0.0006492900000000, -0.0009858400000000 ] - [ -0.0000951900000000, 0.0013802900000000, -0.0008472900000000 ] - [ 0.0002461100000000, -0.0010242100000000, 0.0004453100000000 ] - [ -0.0104872200000000, 0.0014605000000000, 0.0059555300000000 ] - [ 0.0012752700000000, -0.0027249000000000, -0.0009386200000000 ] - [ 0.0013663100000000, 0.0004405900000000, -0.0000390900000000 ] - [ -0.0005801200000000, -0.0006202500000000, -0.0000384100000000 ] - [ 0.0002679400000000, 0.0004438800000000, -0.0000724000000000 ] - [ -0.0003056600000000, -0.0004066800000000, 0.0001925100000000 ] - [ -0.0002551300000000, 0.0004406800000000, 0.0000841300000000 ] - [ 0.0002620100000000, -0.0004399700000000, 0.0000822900000000 ] - [ -0.0014214500000000, 0.0005450900000000, 0.0000269300000000 ] - [ 0.0005850600000000, -0.0006314500000000, -0.0000542600000000 ] - [ 0.0124754400000000, 0.0006515100000000, 0.0064266500000000 ] - [ -0.0016550400000000, -0.0028185200000000, -0.0010575200000000 ] - [ 0.0000766100000000, 0.0012426400000000, -0.0003987600000000 ] - [ -0.0002429600000000, -0.0010091800000000, 0.0004021100000000 ] - [ -0.0004229800000000, 0.0082800400000000, 0.0059711000000000 ] - [ 0.0010887700000000, -0.0322737700000000, 0.0093326100000000 ] - [ 0.0000714800000000, 0.0022716800000000, -0.0010367100000000 ] - [ -0.0000942400000000, -0.0026511200000000, 0.0010576600000000 ] - [ 0.0000863400000000, -0.0029810500000000, 0.0008414900000000 ] - [ -0.0000942000000000, 0.0022603800000000, -0.0009823300000000 ] - [ -0.0015714300000000, -0.0370805700000000, 0.0140883400000000 ] - [ 0.0002783500000000, 0.0079172600000000, 0.0055694100000000 ] - [ 0.0044718600000000, -0.0050878600000000, -0.0003218800000000 ] - [ -0.0016640900000000, 0.0019536000000000, 0.0001806900000000 ] - [ 0.0006422200000000, -0.0010484200000000, 0.0004836400000000 ] - [ -0.0006142300000000, 0.0010852500000000, -0.0003227200000000 ] - [ -0.0043497400000000, -0.0045094400000000, 0.0006926900000000 ] - [ 0.0016768200000000, 0.0019929100000000, 0.0001571300000000 ] - [ -0.0009301800000000, -0.0013576900000000, -0.0001363900000000 ] - [ 0.0005742600000000, 0.0010330100000000, -0.0001630600000000 ] - [ 0.0000053800000000, -0.0003512300000000, -0.0000146600000000 ] - [ 0.0000123200000000, 0.0003528600000000, -0.0000561500000000 ] - [ -0.0000528200000000, -0.0003885000000000, 0.0000539100000000 ] - [ -0.0000204700000000, 0.0003844800000000, 0.0001159400000000 ] - [ 0.0000105500000000, 0.0003867700000000, 0.0001331300000000 ] - [ 0.0000851700000000, -0.0003884500000000, 0.0000819800000000 ] - [ -0.0000117300000000, 0.0003296500000000, -0.0000609300000000 ] - [ -0.0000022300000000, -0.0003290100000000, -0.0000219500000000 ] - [ 0.0030762800000000, 0.0007507600000000, 0.0006141600000000 ] - [ -0.0010806200000000, 0.0011164700000000, 0.0002392300000000 ] - [ 0.0005605300000000, -0.0004034100000000, 0.0000574400000000 ] - [ -0.0002650300000000, 0.0006978400000000, -0.0002559600000000 ] - [ 0.0011632700000000, 0.0009283300000000, 0.0006126600000000 ] - [ -0.0028180300000000, 0.0010578000000000, -0.0004683300000000 ] - [ 0.0004008400000000, 0.0006046400000000, -0.0006827600000000 ] - [ -0.0003475400000000, -0.0006543700000000, 0.0009251300000000 ] - [ -0.0003732500000000, 0.0006312700000000, 0.0000111000000000 ] - [ 0.0004491600000000, -0.0004380400000000, 0.0001891200000000 ] - [ -0.0001179200000000, 0.0002211800000000, 0.0000436100000000 ] - [ 0.0003392100000000, -0.0001681500000000, -0.0002648900000000 ] - [ -0.0008500500000000, -0.0086734400000000, 0.0018785200000000 ] - [ 0.0014519300000000, 0.0051439300000000, -0.0017899100000000 ] - [ 0.0001040800000000, -0.0013428600000000, -0.0019026600000000 ] - [ 0.0002494900000000, 0.0013203800000000, 0.0007804200000000 ] - [ -0.0004209500000000, -0.0003919700000000, 0.0003223300000000 ] - [ 0.0004784100000000, 0.0005875900000000, -0.0000506400000000 ] - [ -0.0002278700000000, -0.0003299400000000, -0.0002644900000000 ] - [ 0.0001331700000000, 0.0002634500000000, 0.0000453200000000 ] - [ -0.0020228500000000, 0.0052575500000000, -0.0019788500000000 ] - [ 0.0008221100000000, -0.0086606800000000, 0.0020557200000000 ] - [ -0.0003088800000000, 0.0013704200000000, 0.0006717100000000 ] - [ -0.0001409200000000, -0.0010982200000000, -0.0018316800000000 ] - [ 0.0030189700000000, -0.0092974600000000, 0.0030570300000000 ] - [ -0.0019047100000000, 0.0043026800000000, -0.0018425900000000 ] - [ 0.0000013600000000, -0.0011348000000000, -0.0014999300000000 ] - [ -0.0002469200000000, 0.0013270000000000, 0.0005195400000000 ] - [ -0.0004886100000000, -0.0008603500000000, 0.0001466200000000 ] - [ 0.0003590600000000, 0.0006790600000000, -0.0000071800000000 ] - [ -0.0003640800000000, -0.0003933600000000, -0.0002322800000000 ] - [ 0.0001883100000000, 0.0003329300000000, 0.0000612500000000 ] - [ -0.0032796800000000, -0.0088948100000000, 0.0030485900000000 ] - [ 0.0022138200000000, 0.0043782900000000, -0.0020097500000000 ] - [ -0.0000459700000000, -0.0011857900000000, -0.0014896200000000 ] - [ 0.0003419500000000, 0.0013024600000000, 0.0005129700000000 ] - [ 0.0004050800000000, -0.0008140500000000, 0.0003477800000000 ] - [ -0.0003864700000000, 0.0006738400000000, -0.0001103900000000 ] - [ 0.0003001400000000, -0.0003494600000000, -0.0002751100000000 ] - [ -0.0002438900000000, 0.0004161100000000, 0.0000984000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006996100000000, 0.0594470000000000, -0.1704686200000000 ] - [ 0.0000096400000000, -0.0004484900000000, -0.0012089500000000 ] - [ 0.0000266900000000, -0.0006412700000000, 0.0108821300000000 ] - [ 0.0000208000000000, -0.0001147700000000, 0.0009967300000000 ] - [ -0.0000490800000000, 0.0001245300000000, 0.0000588700000000 ] - [ -0.0000328300000000, -0.0000948200000000, -0.0000228200000000 ] - [ 0.0000242400000000, 0.0000751500000000, 0.0000571300000000 ] - [ -0.0000007400000000, -0.0000806100000000, -0.0000234800000000 ] - [ 0.0004422700000000, 0.0016009800000000, 0.0372847900000000 ] - [ 0.0001753300000000, -0.0000761300000000, 0.0000649700000000 ] - [ -0.0003841200000000, 0.0029011300000000, 0.0380110200000000 ] - [ -0.0001452300000000, -0.0001187100000000, 0.0000551700000000 ] - [ -0.0000662500000000, 0.0003473000000000, -0.0007174200000000 ] - [ -0.0000435600000000, -0.0000294800000000, -0.0003603100000000 ] - [ -0.0000159700000000, -0.0000395900000000, 0.0004370900000000 ] - [ -0.0000152000000000, -0.0000550800000000, 0.0002609800000000 ] - [ -0.0012922400000000, 0.0004791000000000, 0.0011193800000000 ] - [ -0.0003530700000000, 0.0001128600000000, 0.0001978500000000 ] - [ 0.0023728800000000, 0.0001251500000000, -0.0001036400000000 ] - [ 0.0005130000000000, -0.0002799300000000, -0.0001550000000000 ] - [ -0.0015637000000000, 0.0006126400000000, -0.0026561000000000 ] - [ -0.0003293500000000, -0.0001658800000000, -0.0008899900000000 ] - [ 0.0004691700000000, -0.0002449500000000, 0.0015547500000000 ] - [ 0.0001779100000000, -0.0001848400000000, 0.0006020800000000 ] - [ -0.0003196600000000, -0.0000022100000000, -0.0002152300000000 ] - [ -0.0014786700000000, 0.0000592300000000, -0.0002933800000000 ] - [ 0.0002759900000000, -0.0000446200000000, 0.0003319500000000 ] - [ 0.0005827100000000, 0.0001736500000000, 0.0004908700000000 ] - [ -0.0016007300000000, 0.0010914900000000, 0.0027275300000000 ] - [ -0.0003866500000000, -0.0008285500000000, 0.0010446400000000 ] - [ 0.0094807600000000, -0.0073709400000000, 0.0016073800000000 ] - [ 0.0005316600000000, 0.0024682400000000, -0.0011809400000000 ] - [ -0.0004225800000000, 0.0022759100000000, -0.0013068900000000 ] - [ -0.0101418600000000, -0.0078060100000000, 0.0010809800000000 ] - [ 0.0002888600000000, -0.0008189400000000, 0.0011089000000000 ] - [ 0.0013767600000000, 0.0011286700000000, 0.0025222900000000 ] - [ -0.0004958100000000, 0.0001237200000000, 0.0004236600000000 ] - [ -0.0002303500000000, -0.0001271300000000, 0.0003632200000000 ] - [ 0.0013716400000000, 0.0000217200000000, -0.0005697800000000 ] - [ 0.0002784500000000, 0.0000083400000000, -0.0003224800000000 ] - [ 0.0000137200000000, 0.0001241700000000, -0.0000581200000000 ] - [ 0.0000031800000000, -0.0001496000000000, 0.0000916300000000 ] - [ 0.0000254900000000, -0.0001308900000000, 0.0000899300000000 ] - [ -0.0000183600000000, 0.0001427800000000, -0.0000598400000000 ] - [ -0.0001890700000000, -0.0016845100000000, -0.0072049300000000 ] - [ 0.0001356600000000, -0.0018131900000000, -0.0066635700000000 ] - [ -0.0000415900000000, 0.0000587000000000, 0.0022522000000000 ] - [ -0.0000185100000000, 0.0000574200000000, 0.0022048000000000 ] - [ 0.0000685200000000, -0.0001519100000000, -0.0005040800000000 ] - [ 0.0000195800000000, -0.0001504600000000, -0.0005459200000000 ] - [ 0.0000077300000000, 0.0000458100000000, 0.0003283400000000 ] - [ 0.0000028100000000, 0.0000451600000000, 0.0003655500000000 ] - [ 0.0002464200000000, 0.0035897400000000, 0.0006023300000000 ] - [ 0.0002743700000000, -0.0036563800000000, 0.0013040800000000 ] - [ -0.0003519200000000, -0.0036165300000000, 0.0012904700000000 ] - [ -0.0003439100000000, 0.0036246100000000, 0.0005808100000000 ] - [ 0.0013465100000000, 0.0005374600000000, -0.0025678800000000 ] - [ 0.0007443100000000, -0.0011661500000000, -0.0011377600000000 ] - [ -0.0004530900000000, -0.0000424900000000, 0.0012820800000000 ] - [ -0.0002550600000000, 0.0004512500000000, 0.0008172900000000 ] - [ 0.0004494600000000, 0.0002977200000000, 0.0001498500000000 ] - [ 0.0011682600000000, -0.0009281500000000, 0.0012223500000000 ] - [ -0.0009307200000000, -0.0013634800000000, -0.0001067000000000 ] - [ -0.0026777900000000, 0.0013319700000000, 0.0000667600000000 ] - [ 0.0020085900000000, 0.0009544500000000, 0.0027835100000000 ] - [ 0.0003554800000000, -0.0003063800000000, 0.0007092000000000 ] - [ -0.0124333400000000, -0.0053834500000000, 0.0017320000000000 ] - [ -0.0001377400000000, 0.0002378600000000, -0.0007828000000000 ] - [ 0.0013963300000000, -0.0000001800000000, -0.0003126400000000 ] - [ 0.0002319700000000, 0.0000490500000000, -0.0001366600000000 ] - [ -0.0005544200000000, -0.0000293500000000, 0.0004898500000000 ] - [ -0.0002417400000000, -0.0001303200000000, 0.0003072300000000 ] - [ 0.0004322400000000, 0.0001568500000000, 0.0004132800000000 ] - [ 0.0002066400000000, -0.0001723000000000, 0.0003243700000000 ] - [ -0.0012872100000000, -0.0001047700000000, -0.0005291200000000 ] - [ -0.0002082100000000, 0.0001870500000000, -0.0003685500000000 ] - [ 0.0132480300000000, -0.0059535700000000, 0.0011964800000000 ] - [ 0.0000627500000000, 0.0001204000000000, -0.0007021400000000 ] - [ -0.0017656300000000, 0.0008820100000000, 0.0026424600000000 ] - [ -0.0002629000000000, -0.0002699000000000, 0.0007263600000000 ] - [ -0.0005309200000000, -0.0008837300000000, 0.0024931900000000 ] - [ 0.0013615800000000, -0.0116182600000000, 0.0322734000000000 ] - [ 0.0001058400000000, 0.0009980200000000, -0.0020327300000000 ] - [ 0.0007093300000000, -0.0061521800000000, -0.0080679300000000 ] - [ -0.0006699900000000, -0.0061376000000000, -0.0080175300000000 ] - [ -0.0001033200000000, 0.0010137300000000, -0.0020415700000000 ] - [ -0.0017480300000000, -0.0160638300000000, 0.0366060500000000 ] - [ 0.0005670300000000, -0.0008716100000000, 0.0025562200000000 ] - [ 0.0039208800000000, -0.0018477000000000, -0.0000225900000000 ] - [ 0.0009383500000000, -0.0002433000000000, 0.0000863600000000 ] - [ -0.0014015900000000, 0.0000142100000000, -0.0013689800000000 ] - [ -0.0005487000000000, 0.0004297000000000, -0.0005110000000000 ] - [ -0.0039072300000000, -0.0016066600000000, 0.0034987900000000 ] - [ -0.0008915800000000, -0.0000599200000000, 0.0012386900000000 ] - [ 0.0013068800000000, 0.0000418100000000, -0.0017808100000000 ] - [ 0.0004757800000000, 0.0002457900000000, -0.0008559000000000 ] - [ 0.0000252400000000, -0.0000934100000000, -0.0003205500000000 ] - [ 0.0000272300000000, 0.0000963000000000, -0.0002910700000000 ] - [ -0.0000568700000000, -0.0000300000000000, 0.0003818800000000 ] - [ -0.0000020900000000, 0.0000317800000000, 0.0003569400000000 ] - [ 0.0000187000000000, 0.0000512100000000, 0.0003374500000000 ] - [ 0.0000609900000000, -0.0000505900000000, 0.0003785800000000 ] - [ -0.0000236500000000, 0.0000787600000000, -0.0002719000000000 ] - [ 0.0000014900000000, -0.0000768700000000, -0.0003334100000000 ] - [ 0.0031935300000000, 0.0018309100000000, 0.0031256800000000 ] - [ 0.0002598600000000, -0.0007436600000000, 0.0016086700000000 ] - [ -0.0012180800000000, -0.0006919900000000, -0.0013318000000000 ] - [ -0.0002748800000000, 0.0005161700000000, -0.0010456300000000 ] - [ -0.0004846400000000, -0.0005187900000000, 0.0001691800000000 ] - [ -0.0029400700000000, 0.0016942700000000, 0.0000418700000000 ] - [ 0.0003824000000000, 0.0003214600000000, -0.0006610900000000 ] - [ 0.0011022900000000, -0.0006135800000000, -0.0010581000000000 ] - [ -0.0003226200000000, 0.0003138400000000, 0.0003305700000000 ] - [ -0.0004136500000000, -0.0002676000000000, 0.0007637400000000 ] - [ 0.0001944900000000, -0.0000444700000000, -0.0002836100000000 ] - [ 0.0004198600000000, 0.0001106900000000, -0.0006353100000000 ] - [ 0.0004388400000000, -0.0023159500000000, 0.0100886600000000 ] - [ -0.0002475100000000, 0.0019746700000000, 0.0011064700000000 ] - [ -0.0019800900000000, 0.0023129100000000, -0.0044278100000000 ] - [ -0.0002978200000000, -0.0006977900000000, -0.0012740800000000 ] - [ 0.0004513800000000, -0.0002763100000000, 0.0004050600000000 ] - [ 0.0004073600000000, 0.0003321200000000, 0.0002304000000000 ] - [ -0.0003241400000000, 0.0000630200000000, -0.0005253100000000 ] - [ -0.0001314000000000, -0.0001030000000000, -0.0002414600000000 ] - [ 0.0002447300000000, 0.0020077300000000, 0.0013510700000000 ] - [ 0.0002676500000000, -0.0015472400000000, 0.0109093900000000 ] - [ 0.0001958400000000, -0.0007085400000000, -0.0013033400000000 ] - [ 0.0018532200000000, 0.0023786900000000, -0.0041943200000000 ] - [ -0.0031035400000000, -0.0039107600000000, 0.0079234700000000 ] - [ -0.0002584600000000, 0.0011843100000000, 0.0007875700000000 ] - [ 0.0024103300000000, 0.0020179700000000, -0.0044496600000000 ] - [ 0.0003962500000000, -0.0004947500000000, -0.0009724500000000 ] - [ 0.0004707800000000, -0.0001361900000000, 0.0007035000000000 ] - [ 0.0001881800000000, 0.0001325600000000, 0.0003576900000000 ] - [ -0.0003845200000000, -0.0000602200000000, -0.0005814100000000 ] - [ -0.0001483500000000, -0.0000187700000000, -0.0002819600000000 ] - [ 0.0025768100000000, -0.0030711700000000, 0.0083698900000000 ] - [ 0.0002724500000000, 0.0011005900000000, 0.0009418300000000 ] - [ -0.0022101900000000, 0.0018747000000000, -0.0041553000000000 ] - [ -0.0003314300000000, -0.0005215200000000, -0.0010210600000000 ] - [ -0.0004650200000000, -0.0002325500000000, 0.0003790400000000 ] - [ -0.0002777200000000, 0.0002284600000000, 0.0002037900000000 ] - [ 0.0002954400000000, 0.0000834900000000, -0.0004683700000000 ] - [ 0.0001295100000000, -0.0000637000000000, -0.0002588300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002438100000000, -0.0593092500000000, 0.1702916700000000 ] - [ 0.0000245400000000, 0.0004937500000000, 0.0011355600000000 ] - [ 0.0000144100000000, 0.0006869300000000, -0.0109546400000000 ] - [ 0.0000203500000000, 0.0001613900000000, -0.0010692900000000 ] - [ 0.0000078700000000, -0.0001718600000000, -0.0001322900000000 ] - [ -0.0000063600000000, 0.0000475700000000, -0.0000511400000000 ] - [ -0.0000633900000000, -0.0001220400000000, -0.0001334600000000 ] - [ -0.0000395000000000, 0.0000318300000000, -0.0000525300000000 ] - [ -0.0004037500000000, -0.0016501600000000, -0.0380781500000000 ] - [ -0.0001358700000000, 0.0000266700000000, -0.0001285900000000 ] - [ 0.0004236300000000, -0.0029269500000000, -0.0373538600000000 ] - [ 0.0001854100000000, 0.0000707100000000, -0.0001382100000000 ] - [ 0.0000272300000000, -0.0002998300000000, 0.0006423900000000 ] - [ 0.0000046100000000, 0.0000773700000000, 0.0002863700000000 ] - [ -0.0000247800000000, 0.0000882500000000, -0.0005097900000000 ] - [ -0.0000247800000000, 0.0001029100000000, -0.0003339900000000 ] - [ 0.0012956000000000, -0.0003785300000000, -0.0012064700000000 ] - [ 0.0003536300000000, -0.0000159900000000, -0.0002918800000000 ] - [ -0.0023728700000000, -0.0000320000000000, -0.0000016500000000 ] - [ -0.0005171900000000, 0.0003774200000000, 0.0000558600000000 ] - [ 0.0015514300000000, -0.0007025500000000, 0.0025680000000000 ] - [ 0.0003256000000000, 0.0000687700000000, 0.0007917200000000 ] - [ -0.0004651700000000, 0.0001464900000000, -0.0016551000000000 ] - [ -0.0001780800000000, 0.0000878200000000, -0.0007000500000000 ] - [ 0.0003248800000000, 0.0000439800000000, 0.0002881900000000 ] - [ 0.0014817900000000, -0.0000185500000000, 0.0003653200000000 ] - [ -0.0002692100000000, 0.0000846200000000, -0.0002613400000000 ] - [ -0.0005734000000000, -0.0001308600000000, -0.0004212100000000 ] - [ 0.0016091600000000, -0.0011436200000000, -0.0026521200000000 ] - [ 0.0003832600000000, 0.0007938300000000, -0.0009672200000000 ] - [ -0.0094552200000000, 0.0073000900000000, -0.0015728200000000 ] - [ -0.0005482200000000, -0.0024989700000000, 0.0012431400000000 ] - [ 0.0004047300000000, -0.0022471000000000, 0.0013901400000000 ] - [ 0.0101533400000000, 0.0078717600000000, -0.0009588100000000 ] - [ -0.0002929700000000, 0.0008535600000000, -0.0010424100000000 ] - [ -0.0013692200000000, -0.0010739600000000, -0.0024535600000000 ] - [ 0.0005063700000000, -0.0001663100000000, -0.0003501600000000 ] - [ 0.0002380700000000, 0.0000861200000000, -0.0002916700000000 ] - [ -0.0013667400000000, -0.0000629800000000, 0.0006385300000000 ] - [ -0.0002726900000000, -0.0000481700000000, 0.0003926600000000 ] - [ 0.0000264200000000, -0.0000774400000000, -0.0000137100000000 ] - [ 0.0000349600000000, 0.0001975100000000, -0.0001631900000000 ] - [ 0.0000148500000000, 0.0001779500000000, -0.0001657400000000 ] - [ 0.0000573400000000, -0.0000934600000000, -0.0000151100000000 ] - [ 0.0001680000000000, 0.0018265300000000, 0.0071408400000000 ] - [ -0.0001574400000000, 0.0015862900000000, 0.0065784900000000 ] - [ 0.0000021800000000, -0.0001177100000000, -0.0023278900000000 ] - [ -0.0000203500000000, -0.0000932800000000, -0.0022795900000000 ] - [ -0.0000293100000000, 0.0001037300000000, 0.0004307100000000 ] - [ 0.0000208600000000, 0.0001033000000000, 0.0004737600000000 ] - [ 0.0000329500000000, -0.0000950500000000, -0.0003990700000000 ] - [ 0.0000345200000000, -0.0000917700000000, -0.0004384100000000 ] - [ -0.0002851200000000, -0.0035590100000000, -0.0006554000000000 ] - [ -0.0003142600000000, 0.0037257400000000, -0.0013623700000000 ] - [ 0.0003108200000000, 0.0036444900000000, -0.0013781400000000 ] - [ 0.0003040200000000, -0.0035582700000000, -0.0006761100000000 ] - [ -0.0013528000000000, -0.0004430200000000, 0.0024799200000000 ] - [ -0.0007383600000000, 0.0012655600000000, 0.0010391100000000 ] - [ 0.0004469100000000, 0.0001330000000000, -0.0013802300000000 ] - [ 0.0002539300000000, -0.0003543700000000, -0.0009099800000000 ] - [ -0.0004551200000000, -0.0004013600000000, -0.0002447400000000 ] - [ -0.0011692000000000, 0.0008317300000000, -0.0013097300000000 ] - [ 0.0009360900000000, 0.0012663400000000, 0.0000068900000000 ] - [ 0.0026669100000000, -0.0014221500000000, -0.0001629200000000 ] - [ -0.0020228700000000, -0.0009227500000000, -0.0027107500000000 ] - [ -0.0003525200000000, 0.0003470600000000, -0.0006335500000000 ] - [ 0.0123999300000000, 0.0054063400000000, -0.0017004200000000 ] - [ 0.0001511300000000, -0.0001965800000000, 0.0008440900000000 ] - [ -0.0013985400000000, -0.0000401000000000, 0.0003854800000000 ] - [ -0.0002338600000000, -0.0000902700000000, 0.0002079300000000 ] - [ 0.0005461700000000, -0.0000111400000000, -0.0004184200000000 ] - [ 0.0002371900000000, 0.0000901000000000, -0.0002355400000000 ] - [ -0.0004408100000000, -0.0001172100000000, -0.0003409300000000 ] - [ -0.0002105000000000, 0.0002151700000000, -0.0002519100000000 ] - [ 0.0012856500000000, 0.0001466600000000, 0.0006006800000000 ] - [ 0.0002057700000000, -0.0001459100000000, 0.0004390600000000 ] - [ -0.0132681500000000, 0.0059275100000000, -0.0010689600000000 ] - [ -0.0000447500000000, -0.0001623200000000, 0.0007827500000000 ] - [ 0.0017495800000000, -0.0009127400000000, -0.0025744200000000 ] - [ 0.0002647700000000, 0.0002283800000000, -0.0006589700000000 ] - [ 0.0005379600000000, 0.0008710300000000, -0.0024873500000000 ] - [ -0.0015807300000000, 0.0135148100000000, -0.0337821000000000 ] - [ -0.0001059700000000, -0.0009893600000000, 0.0021021400000000 ] - [ -0.0007039700000000, 0.0061008400000000, 0.0081190000000000 ] - [ 0.0006747100000000, 0.0061893200000000, 0.0080931800000000 ] - [ 0.0001030800000000, -0.0010214100000000, 0.0020969100000000 ] - [ 0.0015095700000000, 0.0140259500000000, -0.0348415400000000 ] - [ -0.0005604200000000, 0.0008844400000000, -0.0024392000000000 ] - [ -0.0039043200000000, 0.0018353600000000, 0.0000240000000000 ] - [ -0.0009373500000000, 0.0002336400000000, -0.0000760300000000 ] - [ 0.0013917900000000, -0.0000209900000000, 0.0013863700000000 ] - [ 0.0005455800000000, -0.0004382800000000, 0.0005271200000000 ] - [ 0.0039271200000000, 0.0016154300000000, -0.0034787600000000 ] - [ 0.0008944900000000, 0.0000692400000000, -0.0012284200000000 ] - [ -0.0013192700000000, -0.0000371600000000, 0.0017915900000000 ] - [ -0.0004797900000000, -0.0002388800000000, 0.0008650300000000 ] - [ -0.0000253600000000, 0.0000952300000000, 0.0003811000000000 ] - [ -0.0000274700000000, -0.0000980300000000, 0.0003506300000000 ] - [ 0.0000575800000000, 0.0000285500000000, -0.0003188100000000 ] - [ 0.0000021000000000, -0.0000327300000000, -0.0002924200000000 ] - [ -0.0000186500000000, -0.0000493400000000, -0.0002749300000000 ] - [ -0.0000605900000000, 0.0000509300000000, -0.0003179600000000 ] - [ 0.0000231600000000, -0.0000789500000000, 0.0003338100000000 ] - [ -0.0000010100000000, 0.0000781500000000, 0.0003973200000000 ] - [ -0.0032132900000000, -0.0018408400000000, -0.0031186300000000 ] - [ -0.0002669500000000, 0.0007318500000000, -0.0015910100000000 ] - [ 0.0012263000000000, 0.0006890500000000, 0.0013434500000000 ] - [ 0.0002760500000000, -0.0005243500000000, 0.0010546600000000 ] - [ 0.0004766900000000, 0.0005320300000000, -0.0001615600000000 ] - [ 0.0029194900000000, -0.0016814800000000, -0.0000322400000000 ] - [ -0.0003818500000000, -0.0003095000000000, 0.0006820800000000 ] - [ -0.0010915300000000, 0.0006176500000000, 0.0010752500000000 ] - [ 0.0003812900000000, -0.0002864800000000, -0.0003178800000000 ] - [ 0.0004712700000000, 0.0002945200000000, -0.0007503700000000 ] - [ -0.0001379000000000, 0.0000728600000000, 0.0002942600000000 ] - [ -0.0003627900000000, -0.0000859200000000, 0.0006446300000000 ] - [ -0.0002899800000000, 0.0021000700000000, -0.0102922700000000 ] - [ 0.0002042200000000, -0.0019915100000000, -0.0011102400000000 ] - [ 0.0019006300000000, -0.0023127800000000, 0.0044417000000000 ] - [ 0.0002406800000000, 0.0006645100000000, 0.0012909300000000 ] - [ -0.0003917400000000, 0.0002486400000000, -0.0003959600000000 ] - [ -0.0003494100000000, -0.0003589500000000, -0.0002190900000000 ] - [ 0.0003812200000000, -0.0000885500000000, 0.0005389800000000 ] - [ 0.0001879600000000, 0.0000751300000000, 0.0002542300000000 ] - [ -0.0002865400000000, -0.0019880300000000, -0.0013226500000000 ] - [ -0.0001112400000000, 0.0017694700000000, -0.0106970500000000 ] - [ -0.0002544700000000, 0.0007437900000000, 0.0013126000000000 ] - [ -0.0019318900000000, -0.0023777500000000, 0.0042035700000000 ] - [ 0.0029802100000000, 0.0038307800000000, -0.0081079500000000 ] - [ 0.0003058500000000, -0.0011499400000000, -0.0007955800000000 ] - [ -0.0023263600000000, -0.0019674200000000, 0.0044603100000000 ] - [ -0.0003380200000000, 0.0005174800000000, 0.0009885200000000 ] - [ -0.0005285200000000, 0.0001080100000000, -0.0006888100000000 ] - [ -0.0002497100000000, -0.0001605700000000, -0.0003456100000000 ] - [ 0.0003260500000000, 0.0000309900000000, 0.0005918300000000 ] - [ 0.0000913300000000, -0.0000076500000000, 0.0002930300000000 ] - [ -0.0027134300000000, 0.0031637900000000, -0.0081876700000000 ] - [ -0.0002265000000000, -0.0011350100000000, -0.0009123100000000 ] - [ 0.0022958900000000, -0.0019251600000000, 0.0041636300000000 ] - [ 0.0003907400000000, 0.0004992300000000, 0.0010289800000000 ] - [ 0.0004059700000000, 0.0002609600000000, -0.0003682200000000 ] - [ 0.0002165300000000, -0.0001990800000000, -0.0001930800000000 ] - [ -0.0003515200000000, -0.0000567100000000, 0.0004822800000000 ] - [ -0.0001866700000000, 0.0000894100000000, 0.0002719400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008359500000000, 0.0008200400000000, -0.0013289300000000 ] - [ 0.0002269800000000, -0.0003591400000000, -0.0003895400000000 ] - [ 0.0023188200000000, 0.0014429900000000, 0.0023308600000000 ] - [ 0.0004686700000000, -0.0004507200000000, 0.0004791200000000 ] - [ 0.0040230300000000, -0.0016754100000000, 0.0015307200000000 ] - [ 0.0005366800000000, 0.0004721400000000, 0.0002934200000000 ] - [ 0.0002613500000000, -0.0004074100000000, -0.0005065800000000 ] - [ 0.0001075200000000, 0.0001833300000000, -0.0002141600000000 ] - [ 0.0040436100000000, 0.0016034800000000, -0.0015844900000000 ] - [ 0.0005806400000000, -0.0005103900000000, -0.0003621600000000 ] - [ 0.0003068300000000, 0.0003557200000000, 0.0004295900000000 ] - [ 0.0001509100000000, -0.0002264800000000, 0.0001414300000000 ] - [ 0.0007850900000000, -0.0007737800000000, 0.0012587600000000 ] - [ 0.0001835400000000, 0.0004082500000000, 0.0003180600000000 ] - [ 0.0022830700000000, -0.0014273400000000, -0.0024168900000000 ] - [ 0.0004251900000000, 0.0005075600000000, -0.0005521400000000 ] - [ -0.1067561000000000, -0.0007944700000000, 0.0005156500000000 ] - [ -0.0024759700000000, 0.0000510800000000, -0.0000445000000000 ] - [ -0.0019189500000000, 0.0000409300000000, -0.0000555600000000 ] - [ -0.0011699200000000, 0.0000493900000000, -0.0000489300000000 ] - [ -0.0052061000000000, -0.0000277500000000, -0.0001029800000000 ] - [ -0.0019072300000000, -0.0000479700000000, -0.0000513600000000 ] - [ -0.0052071300000000, -0.0000435000000000, -0.0000187400000000 ] - [ -0.0019077100000000, -0.0000455800000000, -0.0000531900000000 ] - [ -0.0012065600000000, -0.0006585900000000, 0.0005110200000000 ] - [ 0.0027277200000000, 0.0062007300000000, 0.0126073700000000 ] - [ -0.0010892200000000, -0.0005164100000000, -0.0006330800000000 ] - [ -0.0018198100000000, 0.0000901000000000, -0.0025230700000000 ] - [ 0.0032077400000000, 0.0146321200000000, 0.0039208700000000 ] - [ -0.0021288700000000, -0.0038044100000000, 0.0004107000000000 ] - [ -0.0011815800000000, -0.0000698000000000, 0.0001301500000000 ] - [ -0.0011057400000000, -0.0007944700000000, -0.0002877600000000 ] - [ -0.0012061100000000, 0.0006977300000000, -0.0004420200000000 ] - [ 0.0027576500000000, -0.0061416900000000, -0.0124732600000000 ] - [ -0.0010899300000000, 0.0005549000000000, 0.0007037600000000 ] - [ -0.0018066900000000, -0.0000667700000000, 0.0025769200000000 ] - [ 0.0031617900000000, -0.0147295500000000, -0.0038521300000000 ] - [ -0.0021416100000000, 0.0037973400000000, -0.0003351900000000 ] - [ -0.0011919600000000, 0.0000426400000000, -0.0000686100000000 ] - [ -0.0011029300000000, 0.0007616300000000, 0.0003559200000000 ] - [ 0.0010896500000000, -0.0010998600000000, 0.0007046900000000 ] - [ 0.0025536800000000, 0.0022173200000000, 0.0013275700000000 ] - [ 0.0000765900000000, -0.0001396200000000, -0.0002902500000000 ] - [ 0.0003624200000000, 0.0003455200000000, -0.0004894600000000 ] - [ 0.0001787500000000, 0.0003659500000000, -0.0004883200000000 ] - [ 0.0013417300000000, -0.0008800600000000, -0.0012045200000000 ] - [ 0.0010975500000000, 0.0009683400000000, 0.0008993900000000 ] - [ 0.0029355100000000, -0.0025515700000000, 0.0026175400000000 ] - [ 0.0002136500000000, -0.0004112900000000, 0.0004161800000000 ] - [ 0.0013733000000000, 0.0008291600000000, 0.0011333900000000 ] - [ 0.0011256600000000, -0.0010130400000000, -0.0009663300000000 ] - [ 0.0030124300000000, 0.0025375100000000, -0.0027257600000000 ] - [ 0.0010601500000000, 0.0011476000000000, -0.0007785200000000 ] - [ 0.0025007400000000, -0.0021554200000000, -0.0013716400000000 ] - [ 0.0000416000000000, 0.0001879300000000, 0.0002180400000000 ] - [ 0.0003249500000000, -0.0002986100000000, 0.0004102200000000 ] - [ 0.0014131300000000, 0.0000445300000000, -0.0000465900000000 ] - [ 0.0013867900000000, 0.0000470800000000, -0.0000475100000000 ] - [ 0.0013868300000000, 0.0000468800000000, -0.0000509000000000 ] - [ 0.0014133400000000, 0.0000477000000000, -0.0000495200000000 ] - [ 0.0013333400000000, -0.0000487700000000, -0.0000493200000000 ] - [ 0.0018776400000000, -0.0000439000000000, -0.0000455900000000 ] - [ 0.0009619100000000, -0.0000448000000000, -0.0000469400000000 ] - [ 0.0012524500000000, -0.0000464800000000, -0.0000498300000000 ] - [ 0.0022147100000000, 0.0006591700000000, 0.0002457300000000 ] - [ 0.0017135600000000, -0.0002243600000000, 0.0001067200000000 ] - [ 0.0011718900000000, 0.0003434700000000, 0.0000151600000000 ] - [ 0.0011180800000000, -0.0000426300000000, 0.0000232600000000 ] - [ 0.0020981900000000, 0.0001985600000000, 0.0004773400000000 ] - [ 0.0011891300000000, 0.0001829800000000, 0.0001913400000000 ] - [ 0.0017950000000000, 0.0000984500000000, -0.0005049200000000 ] - [ 0.0011349400000000, 0.0001719300000000, -0.0002032900000000 ] - [ 0.0022131400000000, -0.0006342500000000, -0.0001759800000000 ] - [ 0.0017128000000000, 0.0002618400000000, -0.0000350900000000 ] - [ 0.0011666700000000, -0.0003119100000000, 0.0000553700000000 ] - [ 0.0011138700000000, 0.0000761500000000, 0.0000453700000000 ] - [ 0.0021003600000000, -0.0002326400000000, -0.0004017000000000 ] - [ 0.0011938300000000, -0.0002123900000000, -0.0001203700000000 ] - [ 0.0017960800000000, -0.0001340800000000, 0.0005699200000000 ] - [ 0.0011398000000000, -0.0002003500000000, 0.0002723900000000 ] - [ -0.0002064600000000, -0.0002303700000000, 0.0008396300000000 ] - [ -0.0040461400000000, 0.0001162500000000, 0.0023459400000000 ] - [ -0.0001661000000000, -0.0002034000000000, -0.0008075600000000 ] - [ -0.0010193300000000, -0.0000666800000000, -0.0023375900000000 ] - [ -0.0043147500000000, -0.0019161800000000, -0.0006862000000000 ] - [ -0.0012113900000000, 0.0024145100000000, -0.0000300700000000 ] - [ -0.0000695200000000, -0.0007402500000000, 0.0004324700000000 ] - [ -0.0001919100000000, 0.0008204400000000, 0.0004363400000000 ] - [ 0.0251950700000000, -0.0000163200000000, -0.0001878300000000 ] - [ 0.0022686100000000, -0.0000098500000000, 0.0000045600000000 ] - [ 0.0044541800000000, 0.0000156400000000, 0.0000005600000000 ] - [ 0.0019626200000000, -0.0000099200000000, 0.0000068200000000 ] - [ 0.0014167100000000, 0.0000021200000000, 0.0000254900000000 ] - [ 0.0022288600000000, 0.0000047300000000, 0.0000067000000000 ] - [ 0.0245002100000000, 0.0001947900000000, 0.0000728600000000 ] - [ 0.0051119300000000, 0.0000005200000000, 0.0000076700000000 ] - [ -0.0042841100000000, 0.0019474500000000, 0.0007526000000000 ] - [ -0.0012160600000000, -0.0024443700000000, 0.0000854700000000 ] - [ -0.0000578900000000, 0.0007415700000000, -0.0003684600000000 ] - [ -0.0001890600000000, -0.0008228500000000, -0.0003705100000000 ] - [ -0.0002003200000000, 0.0002262300000000, -0.0007793500000000 ] - [ -0.0040235100000000, -0.0001182500000000, -0.0023126900000000 ] - [ -0.0001611300000000, 0.0001962800000000, 0.0008711000000000 ] - [ -0.0010181500000000, 0.0000776100000000, 0.0024272400000000 ] - [ -0.0015395700000000, -0.0000047700000000, 0.0000063900000000 ] - [ -0.0015452200000000, -0.0000059200000000, 0.0000059600000000 ] - [ -0.0023762700000000, -0.0000037700000000, 0.0000066300000000 ] - [ -0.0021902200000000, -0.0000060200000000, 0.0000066900000000 ] - [ -0.0016145800000000, 0.0000049600000000, 0.0000053500000000 ] - [ -0.0024264200000000, 0.0000053200000000, 0.0000043800000000 ] - [ -0.0014963700000000, 0.0000056000000000, 0.0000066600000000 ] - [ -0.0021107300000000, 0.0000049300000000, 0.0000075800000000 ] - [ 0.0007294100000000, 0.0000197300000000, -0.0001052200000000 ] - [ 0.0006692700000000, 0.0004208400000000, -0.0015563400000000 ] - [ 0.0005274300000000, 0.0018712400000000, 0.0000139500000000 ] - [ 0.0239084600000000, 0.0066410500000000, -0.0036692900000000 ] - [ -0.0003233000000000, -0.0032380500000000, 0.0039224600000000 ] - [ 0.0005855000000000, 0.0027343300000000, 0.0007329100000000 ] - [ 0.0008371900000000, -0.0005544000000000, -0.0019929700000000 ] - [ 0.0009711500000000, 0.0009867600000000, -0.0008283100000000 ] - [ -0.0002294000000000, 0.0032147300000000, -0.0039137300000000 ] - [ 0.0006525300000000, -0.0027561800000000, -0.0007284200000000 ] - [ 0.0009193600000000, 0.0005295600000000, 0.0020004100000000 ] - [ 0.0010360200000000, -0.0010205900000000, 0.0008513400000000 ] - [ 0.0006667800000000, 0.0000005700000000, 0.0001187600000000 ] - [ 0.0006006300000000, -0.0003873200000000, 0.0015812400000000 ] - [ 0.0004623700000000, -0.0018680000000000, -0.0000013100000000 ] - [ 0.0225473400000000, -0.0059677400000000, 0.0032274400000000 ] - [ -0.0017584400000000, -0.0006749600000000, 0.0007487900000000 ] - [ -0.0014208700000000, 0.0006388700000000, 0.0004273000000000 ] - [ -0.0013515700000000, -0.0004246900000000, -0.0005575800000000 ] - [ -0.0012255100000000, 0.0005514600000000, -0.0004528600000000 ] - [ -0.0012593900000000, 0.0000012800000000, -0.0002468300000000 ] - [ -0.0007865900000000, -0.0000523600000000, -0.0000835100000000 ] - [ -0.0033830000000000, -0.0000347900000000, 0.0001635800000000 ] - [ -0.0013119300000000, 0.0001072900000000, 0.0000203500000000 ] - [ -0.0012040000000000, -0.0000265400000000, 0.0002615500000000 ] - [ -0.0007302400000000, 0.0000237100000000, 0.0000972600000000 ] - [ -0.0033034900000000, 0.0000145800000000, -0.0001515100000000 ] - [ -0.0012557300000000, -0.0001388200000000, -0.0000071100000000 ] - [ -0.0018160400000000, 0.0007069500000000, -0.0007402400000000 ] - [ -0.0014797400000000, -0.0006165400000000, -0.0004190100000000 ] - [ -0.0014090800000000, 0.0004573400000000, 0.0005738800000000 ] - [ -0.0012866100000000, -0.0005318400000000, 0.0004718400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003826200000000, -0.0016984400000000, 0.0003913700000000 ] - [ -0.0000250100000000, 0.0009393500000000, 0.0000279700000000 ] - [ 0.0005721900000000, -0.0030843900000000, 0.0000385000000000 ] - [ -0.0001630400000000, 0.0018001100000000, -0.0003681400000000 ] - [ -0.0005294900000000, -0.0033628900000000, -0.0006920400000000 ] - [ 0.0002442500000000, 0.0018183300000000, 0.0000811500000000 ] - [ -0.0001493600000000, -0.0010032000000000, 0.0001554100000000 ] - [ -0.0000822100000000, 0.0007225600000000, 0.0000953700000000 ] - [ 0.0005294900000000, -0.0033628900000000, -0.0006920400000000 ] - [ -0.0002442500000000, 0.0018183300000000, 0.0000811500000000 ] - [ 0.0001493600000000, -0.0010032000000000, 0.0001554100000000 ] - [ 0.0000822100000000, 0.0007225600000000, 0.0000953700000000 ] - [ 0.0003826200000000, -0.0016984400000000, 0.0003913700000000 ] - [ 0.0000250100000000, 0.0009393500000000, 0.0000279700000000 ] - [ -0.0005721900000000, -0.0030843900000000, 0.0000385000000000 ] - [ 0.0001630400000000, 0.0018001100000000, -0.0003681400000000 ] - [ 0.0000000000000000, -0.1655801900000000, -0.0806930900000000 ] - [ 0.0000000000000000, 0.0031971100000000, 0.0000820200000000 ] - [ 0.0000000000000000, -0.0019681600000000, 0.0000011700000000 ] - [ 0.0000000000000000, 0.0009930500000000, 0.0003249200000000 ] - [ 0.0000000000000000, -0.0014621200000000, -0.0102905200000000 ] - [ 0.0000000000000000, 0.0015967100000000, 0.0002233100000000 ] - [ 0.0000000000000000, -0.0014724200000000, 0.0092826400000000 ] - [ 0.0000000000000000, 0.0015975300000000, -0.0012191800000000 ] - [ -0.0002421100000000, 0.0013956200000000, -0.0006730700000000 ] - [ 0.0079687700000000, -0.0010903400000000, 0.0099379000000000 ] - [ -0.0002164600000000, 0.0014539200000000, 0.0008543500000000 ] - [ 0.0001186500000000, -0.0015522800000000, -0.0016182100000000 ] - [ 0.0150416400000000, 0.0149235800000000, 0.0054076700000000 ] - [ -0.0031755800000000, 0.0044368000000000, -0.0008429600000000 ] - [ 0.0008458600000000, 0.0001047600000000, -0.0002616500000000 ] - [ -0.0000746200000000, 0.0005289900000000, 0.0004358100000000 ] - [ 0.0002421100000000, 0.0013956200000000, -0.0006730700000000 ] - [ -0.0079687700000000, -0.0010903400000000, 0.0099379000000000 ] - [ 0.0002164600000000, 0.0014539200000000, 0.0008543500000000 ] - [ -0.0001186500000000, -0.0015522800000000, -0.0016182100000000 ] - [ -0.0150416400000000, 0.0149235800000000, 0.0054076700000000 ] - [ 0.0031755800000000, 0.0044368000000000, -0.0008429600000000 ] - [ -0.0008458600000000, 0.0001047600000000, -0.0002616500000000 ] - [ 0.0000746200000000, 0.0005289900000000, 0.0004358100000000 ] - [ -0.0019379000000000, 0.0010244900000000, -0.0012485700000000 ] - [ 0.0018930800000000, 0.0004968600000000, 0.0004573800000000 ] - [ -0.0004985500000000, 0.0002004100000000, 0.0003638400000000 ] - [ 0.0003505000000000, 0.0000257800000000, -0.0001272300000000 ] - [ 0.0004956000000000, 0.0000880900000000, -0.0003857900000000 ] - [ -0.0012853100000000, 0.0005772000000000, 0.0008425100000000 ] - [ 0.0022786700000000, 0.0010808100000000, 0.0012764000000000 ] - [ -0.0016087900000000, 0.0005744900000000, -0.0014117000000000 ] - [ -0.0004956000000000, 0.0000880900000000, -0.0003857900000000 ] - [ 0.0012853100000000, 0.0005772000000000, 0.0008425100000000 ] - [ -0.0022786700000000, 0.0010808100000000, 0.0012764000000000 ] - [ 0.0016087900000000, 0.0005744900000000, -0.0014117000000000 ] - [ 0.0019379000000000, 0.0010244900000000, -0.0012485700000000 ] - [ -0.0018930800000000, 0.0004968600000000, 0.0004573800000000 ] - [ 0.0004985500000000, 0.0002004100000000, 0.0003638400000000 ] - [ -0.0003505000000000, 0.0000257800000000, -0.0001272300000000 ] - [ 0.0000000000000000, 0.0000155700000000, -0.0001082900000000 ] - [ 0.0000000000000000, 0.0000384800000000, -0.0000036100000000 ] - [ 0.0000000000000000, 0.0000363200000000, 0.0000425500000000 ] - [ 0.0000000000000000, 0.0000114000000000, -0.0001189700000000 ] - [ 0.0000000000000000, 0.0000657800000000, -0.0001037000000000 ] - [ 0.0000000000000000, -0.0001437000000000, -0.0000848100000000 ] - [ 0.0000000000000000, -0.0000325100000000, 0.0000176900000000 ] - [ 0.0000000000000000, -0.0001067500000000, 0.0000067100000000 ] - [ 0.0002705200000000, -0.0004718600000000, -0.0000253900000000 ] - [ -0.0002489800000000, 0.0005448300000000, -0.0000327000000000 ] - [ 0.0000148500000000, -0.0002966400000000, 0.0001243900000000 ] - [ -0.0001240200000000, 0.0003706700000000, 0.0001343200000000 ] - [ 0.0001038200000000, -0.0005333100000000, 0.0000068500000000 ] - [ -0.0001158000000000, 0.0005049400000000, -0.0000858800000000 ] - [ -0.0000150500000000, -0.0005042700000000, 0.0000213400000000 ] - [ -0.0001950400000000, 0.0005225000000000, 0.0001760700000000 ] - [ -0.0002705200000000, -0.0004718600000000, -0.0000253900000000 ] - [ 0.0002489800000000, 0.0005448300000000, -0.0000327000000000 ] - [ -0.0000148500000000, -0.0002966400000000, 0.0001243900000000 ] - [ 0.0001240200000000, 0.0003706700000000, 0.0001343200000000 ] - [ -0.0001038200000000, -0.0005333100000000, 0.0000068500000000 ] - [ 0.0001158000000000, 0.0005049400000000, -0.0000858800000000 ] - [ 0.0000150500000000, -0.0005042700000000, 0.0000213400000000 ] - [ 0.0001950400000000, 0.0005225000000000, 0.0001760700000000 ] - [ -0.0005045400000000, -0.0015155800000000, 0.0005156300000000 ] - [ 0.0036754400000000, 0.0020620600000000, 0.0003168900000000 ] - [ -0.0005649800000000, -0.0015264800000000, -0.0004874000000000 ] - [ 0.0006679600000000, 0.0014868800000000, 0.0004348600000000 ] - [ -0.0070976400000000, 0.0027922100000000, 0.0002171400000000 ] - [ 0.0025523700000000, -0.0018714000000000, 0.0002376500000000 ] - [ -0.0007705100000000, 0.0009103700000000, -0.0002496500000000 ] - [ 0.0002645700000000, -0.0009178400000000, -0.0003739800000000 ] - [ 0.0000000000000000, 0.0272461700000000, 0.0159960200000000 ] - [ 0.0000000000000000, -0.0024225300000000, 0.0005665400000000 ] - [ 0.0000000000000000, 0.0057507000000000, 0.0002676200000000 ] - [ 0.0000000000000000, -0.0020990400000000, -0.0002303500000000 ] - [ 0.0000000000000000, 0.0003716100000000, 0.0019342800000000 ] - [ 0.0000000000000000, -0.0010385100000000, -0.0005642000000000 ] - [ 0.0000000000000000, 0.0947784700000000, 0.0370781300000000 ] - [ 0.0000000000000000, -0.0061745400000000, 0.0012542900000000 ] - [ 0.0070976400000000, 0.0027922100000000, 0.0002171400000000 ] - [ -0.0025523700000000, -0.0018714000000000, 0.0002376500000000 ] - [ 0.0007705100000000, 0.0009103700000000, -0.0002496500000000 ] - [ -0.0002645700000000, -0.0009178400000000, -0.0003739800000000 ] - [ 0.0005045400000000, -0.0015155800000000, 0.0005156300000000 ] - [ -0.0036754400000000, 0.0020620600000000, 0.0003168900000000 ] - [ 0.0005649800000000, -0.0015264800000000, -0.0004874000000000 ] - [ -0.0006679600000000, 0.0014868800000000, 0.0004348600000000 ] - [ 0.0000000000000000, 0.0001053100000000, 0.0000406500000000 ] - [ 0.0000000000000000, -0.0000540400000000, -0.0000598300000000 ] - [ 0.0000000000000000, 0.0000248400000000, 0.0000137400000000 ] - [ 0.0000000000000000, -0.0000259000000000, 0.0000594000000000 ] - [ 0.0000000000000000, -0.0001239100000000, 0.0001250400000000 ] - [ 0.0000000000000000, 0.0001471900000000, -0.0000196500000000 ] - [ 0.0000000000000000, -0.0000802400000000, -0.0001051600000000 ] - [ 0.0000000000000000, 0.0001641600000000, -0.0000021800000000 ] - [ 0.0002384500000000, -0.0008725500000000, -0.0000741700000000 ] - [ 0.0000288500000000, 0.0011030800000000, -0.0014685200000000 ] - [ 0.0012366500000000, -0.0051909600000000, 0.0001366500000000 ] - [ 0.0059177900000000, 0.0099361900000000, -0.0003007200000000 ] - [ -0.0038054300000000, -0.0000974800000000, 0.0040034100000000 ] - [ 0.0011902000000000, -0.0029448900000000, -0.0011581400000000 ] - [ -0.0023086400000000, 0.0004135200000000, -0.0027230300000000 ] - [ 0.0003489100000000, -0.0009589000000000, 0.0010066600000000 ] - [ 0.0038054300000000, -0.0000974800000000, 0.0040034100000000 ] - [ -0.0011902000000000, -0.0029448900000000, -0.0011581400000000 ] - [ 0.0023086400000000, 0.0004135200000000, -0.0027230300000000 ] - [ -0.0003489100000000, -0.0009589000000000, 0.0010066600000000 ] - [ -0.0002384500000000, -0.0008725500000000, -0.0000741700000000 ] - [ -0.0000288500000000, 0.0011030800000000, -0.0014685200000000 ] - [ -0.0012366500000000, -0.0051909600000000, 0.0001366500000000 ] - [ -0.0059177900000000, 0.0099361900000000, -0.0003007200000000 ] - [ -0.0003028000000000, 0.0006160800000000, 0.0003157400000000 ] - [ 0.0004728600000000, -0.0006680200000000, -0.0000973300000000 ] - [ -0.0003904700000000, 0.0005787400000000, -0.0002701500000000 ] - [ 0.0002876600000000, -0.0005386700000000, 0.0001746000000000 ] - [ -0.0002754500000000, 0.0004424900000000, -0.0001893200000000 ] - [ 0.0000916200000000, -0.0004576500000000, -0.0000538500000000 ] - [ -0.0007976100000000, 0.0009900500000000, 0.0000983800000000 ] - [ 0.0004222100000000, -0.0009866000000000, 0.0000767800000000 ] - [ 0.0002754500000000, 0.0004424900000000, -0.0001893200000000 ] - [ -0.0000916200000000, -0.0004576500000000, -0.0000538500000000 ] - [ 0.0007976100000000, 0.0009900500000000, 0.0000983800000000 ] - [ -0.0004222100000000, -0.0009866000000000, 0.0000767800000000 ] - [ 0.0003028000000000, 0.0006160800000000, 0.0003157400000000 ] - [ -0.0004728600000000, -0.0006680200000000, -0.0000973300000000 ] - [ 0.0003904700000000, 0.0005787400000000, -0.0002701500000000 ] - [ -0.0002876600000000, -0.0005386700000000, 0.0001746000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004279200000000, 0.0017494600000000, -0.0004687000000000 ] - [ 0.0000664000000000, -0.0008947900000000, -0.0001012900000000 ] - [ -0.0005337900000000, 0.0031364800000000, -0.0001171200000000 ] - [ 0.0001997400000000, -0.0017533700000000, 0.0002907500000000 ] - [ 0.0004775800000000, 0.0033248400000000, 0.0006250100000000 ] - [ -0.0002810400000000, -0.0018665800000000, -0.0001496300000000 ] - [ 0.0001072300000000, 0.0009583800000000, -0.0002333500000000 ] - [ 0.0000401600000000, -0.0007725400000000, -0.0001731000000000 ] - [ -0.0004775800000000, 0.0033248400000000, 0.0006250100000000 ] - [ 0.0002810400000000, -0.0018665800000000, -0.0001496300000000 ] - [ -0.0001072300000000, 0.0009583800000000, -0.0002333500000000 ] - [ -0.0000401600000000, -0.0007725400000000, -0.0001731000000000 ] - [ -0.0004279200000000, 0.0017494600000000, -0.0004687000000000 ] - [ -0.0000664000000000, -0.0008947900000000, -0.0001012900000000 ] - [ 0.0005337900000000, 0.0031364800000000, -0.0001171200000000 ] - [ -0.0001997400000000, -0.0017533700000000, 0.0002907500000000 ] - [ 0.0000000000000000, 0.1718363800000000, 0.0847028600000000 ] - [ 0.0000000000000000, -0.0031034000000000, -0.0001746000000000 ] - [ 0.0000000000000000, 0.0020603000000000, -0.0001030400000000 ] - [ 0.0000000000000000, -0.0008984100000000, -0.0004258700000000 ] - [ 0.0000000000000000, 0.0014162300000000, 0.0101906200000000 ] - [ 0.0000000000000000, -0.0016887500000000, -0.0003087100000000 ] - [ 0.0000000000000000, 0.0014046700000000, -0.0094079400000000 ] - [ 0.0000000000000000, -0.0016892100000000, 0.0011178100000000 ] - [ 0.0002589600000000, -0.0013536000000000, 0.0007519000000000 ] - [ -0.0079468400000000, 0.0010597100000000, -0.0098600900000000 ] - [ 0.0002313500000000, -0.0014130100000000, -0.0007870900000000 ] - [ -0.0001042000000000, 0.0015926300000000, 0.0016891400000000 ] - [ -0.0152514700000000, -0.0151145900000000, -0.0054124400000000 ] - [ 0.0031228300000000, -0.0044563000000000, 0.0009078700000000 ] - [ -0.0008537800000000, -0.0001416200000000, 0.0003261200000000 ] - [ 0.0000605600000000, -0.0005741400000000, -0.0003685300000000 ] - [ -0.0002589600000000, -0.0013536000000000, 0.0007519000000000 ] - [ 0.0079468400000000, 0.0010597100000000, -0.0098600900000000 ] - [ -0.0002313500000000, -0.0014130100000000, -0.0007870900000000 ] - [ 0.0001042000000000, 0.0015926300000000, 0.0016891400000000 ] - [ 0.0152514700000000, -0.0151145900000000, -0.0054124400000000 ] - [ -0.0031228300000000, -0.0044563000000000, 0.0009078700000000 ] - [ 0.0008537800000000, -0.0001416200000000, 0.0003261200000000 ] - [ -0.0000605600000000, -0.0005741400000000, -0.0003685300000000 ] - [ 0.0019849700000000, -0.0009774100000000, 0.0011821700000000 ] - [ -0.0018563800000000, -0.0004561000000000, -0.0005271500000000 ] - [ 0.0005390400000000, -0.0001513300000000, -0.0004416100000000 ] - [ -0.0003112300000000, 0.0000207500000000, 0.0000506700000000 ] - [ -0.0005358700000000, -0.0001329700000000, 0.0003121400000000 ] - [ 0.0012517700000000, -0.0006291200000000, -0.0009203100000000 ] - [ -0.0023307400000000, -0.0011323600000000, -0.0013577000000000 ] - [ 0.0015734000000000, -0.0006267100000000, 0.0013407100000000 ] - [ 0.0005358700000000, -0.0001329700000000, 0.0003121400000000 ] - [ -0.0012517700000000, -0.0006291200000000, -0.0009203100000000 ] - [ 0.0023307400000000, -0.0011323600000000, -0.0013577000000000 ] - [ -0.0015734000000000, -0.0006267100000000, 0.0013407100000000 ] - [ -0.0019849700000000, -0.0009774100000000, 0.0011821700000000 ] - [ 0.0018563800000000, -0.0004561000000000, -0.0005271500000000 ] - [ -0.0005390400000000, -0.0001513300000000, -0.0004416100000000 ] - [ 0.0003112300000000, 0.0000207500000000, 0.0000506700000000 ] - [ 0.0000000000000000, 0.0000845500000000, 0.0000080000000000 ] - [ 0.0000000000000000, 0.0000547100000000, -0.0000925900000000 ] - [ 0.0000000000000000, 0.0000543400000000, -0.0001341700000000 ] - [ 0.0000000000000000, 0.0000794800000000, 0.0000255100000000 ] - [ 0.0000000000000000, -0.0001599700000000, 0.0000075800000000 ] - [ 0.0000000000000000, 0.0000467000000000, -0.0000139800000000 ] - [ 0.0000000000000000, -0.0000606700000000, -0.0001156300000000 ] - [ 0.0000000000000000, 0.0000107000000000, -0.0001062500000000 ] - [ -0.0002575900000000, 0.0005141600000000, 0.0000984400000000 ] - [ 0.0002611900000000, -0.0005059700000000, 0.0001046600000000 ] - [ -0.0000024900000000, 0.0003387300000000, -0.0000536800000000 ] - [ 0.0001379800000000, -0.0003320600000000, -0.0000643300000000 ] - [ -0.0001191400000000, 0.0004938300000000, 0.0000660600000000 ] - [ 0.0001029200000000, -0.0005465800000000, 0.0001575000000000 ] - [ 0.0000023100000000, 0.0004662700000000, 0.0000496100000000 ] - [ 0.0001840300000000, -0.0005619400000000, -0.0001048800000000 ] - [ 0.0002575900000000, 0.0005141600000000, 0.0000984400000000 ] - [ -0.0002611900000000, -0.0005059700000000, 0.0001046600000000 ] - [ 0.0000024900000000, 0.0003387300000000, -0.0000536800000000 ] - [ -0.0001379800000000, -0.0003320600000000, -0.0000643300000000 ] - [ 0.0001191400000000, 0.0004938300000000, 0.0000660600000000 ] - [ -0.0001029200000000, -0.0005465800000000, 0.0001575000000000 ] - [ -0.0000023100000000, 0.0004662700000000, 0.0000496100000000 ] - [ -0.0001840300000000, -0.0005619400000000, -0.0001048800000000 ] - [ 0.0005056100000000, 0.0015173300000000, -0.0004579700000000 ] - [ -0.0036999600000000, -0.0020645900000000, -0.0002559900000000 ] - [ 0.0005667800000000, 0.0015285300000000, 0.0005553600000000 ] - [ -0.0006691600000000, -0.0014878200000000, -0.0003675600000000 ] - [ 0.0071234000000000, -0.0028067900000000, -0.0001624500000000 ] - [ -0.0025372000000000, 0.0018775700000000, -0.0001783200000000 ] - [ 0.0007668800000000, -0.0009154200000000, 0.0003151900000000 ] - [ -0.0002663500000000, 0.0009230400000000, 0.0004399200000000 ] - [ 0.0000000000000000, -0.0274537600000000, -0.0161735700000000 ] - [ 0.0000000000000000, 0.0024149900000000, -0.0005609400000000 ] - [ 0.0000000000000000, -0.0057506200000000, -0.0002547200000000 ] - [ 0.0000000000000000, 0.0020920800000000, 0.0002517100000000 ] - [ 0.0000000000000000, -0.0003681200000000, -0.0018952000000000 ] - [ 0.0000000000000000, 0.0010510200000000, 0.0005743200000000 ] - [ 0.0000000000000000, -0.1003603600000000, -0.0406374600000000 ] - [ 0.0000000000000000, 0.0061463800000000, -0.0012292200000000 ] - [ -0.0071234000000000, -0.0028067900000000, -0.0001624500000000 ] - [ 0.0025372000000000, 0.0018775700000000, -0.0001783200000000 ] - [ -0.0007668800000000, -0.0009154200000000, 0.0003151900000000 ] - [ 0.0002663500000000, 0.0009230400000000, 0.0004399200000000 ] - [ -0.0005056100000000, 0.0015173300000000, -0.0004579700000000 ] - [ 0.0036999600000000, -0.0020645900000000, -0.0002559900000000 ] - [ -0.0005667800000000, 0.0015285300000000, 0.0005553600000000 ] - [ 0.0006691600000000, -0.0014878200000000, -0.0003675600000000 ] - [ 0.0000000000000000, -0.0001100200000000, -0.0000235700000000 ] - [ 0.0000000000000000, 0.0000513900000000, 0.0000749700000000 ] - [ 0.0000000000000000, -0.0000318500000000, -0.0000009300000000 ] - [ 0.0000000000000000, 0.0000238000000000, -0.0000467300000000 ] - [ 0.0000000000000000, 0.0001266400000000, -0.0001133600000000 ] - [ 0.0000000000000000, -0.0001414000000000, 0.0000343200000000 ] - [ 0.0000000000000000, 0.0000875700000000, 0.0001218900000000 ] - [ 0.0000000000000000, -0.0001572200000000, 0.0000199400000000 ] - [ -0.0001777000000000, 0.0008988400000000, 0.0000876500000000 ] - [ 0.0000357400000000, -0.0010775700000000, 0.0014938900000000 ] - [ -0.0011831200000000, 0.0052286400000000, -0.0001253100000000 ] - [ -0.0056891800000000, -0.0099200200000000, 0.0002435800000000 ] - [ 0.0037499100000000, 0.0000546500000000, -0.0040128900000000 ] - [ -0.0012445400000000, 0.0029327000000000, 0.0011571100000000 ] - [ 0.0022464000000000, -0.0004450400000000, 0.0027492700000000 ] - [ -0.0004040500000000, 0.0009372000000000, -0.0009867700000000 ] - [ -0.0037499100000000, 0.0000546500000000, -0.0040128900000000 ] - [ 0.0012445400000000, 0.0029327000000000, 0.0011571100000000 ] - [ -0.0022464000000000, -0.0004450400000000, 0.0027492700000000 ] - [ 0.0004040500000000, 0.0009372000000000, -0.0009867700000000 ] - [ 0.0001777000000000, 0.0008988400000000, 0.0000876500000000 ] - [ -0.0000357400000000, -0.0010775700000000, 0.0014938900000000 ] - [ 0.0011831200000000, 0.0052286400000000, -0.0001253100000000 ] - [ 0.0056891800000000, -0.0099200200000000, 0.0002435800000000 ] - [ 0.0003637500000000, -0.0005911300000000, -0.0003055300000000 ] - [ -0.0004123600000000, 0.0006990600000000, 0.0001068900000000 ] - [ 0.0004508800000000, -0.0005544100000000, 0.0002844300000000 ] - [ -0.0002284000000000, 0.0005674900000000, -0.0001617900000000 ] - [ 0.0002158100000000, -0.0004714600000000, 0.0002028800000000 ] - [ -0.0001523900000000, 0.0004303900000000, 0.0000662000000000 ] - [ 0.0007346300000000, -0.0010181900000000, -0.0000896500000000 ] - [ -0.0004862700000000, 0.0009607500000000, -0.0000654000000000 ] - [ -0.0002158100000000, -0.0004714600000000, 0.0002028800000000 ] - [ 0.0001523900000000, 0.0004303900000000, 0.0000662000000000 ] - [ -0.0007346300000000, -0.0010181900000000, -0.0000896500000000 ] - [ 0.0004862700000000, 0.0009607500000000, -0.0000654000000000 ] - [ -0.0003637500000000, -0.0005911300000000, -0.0003055300000000 ] - [ 0.0004123600000000, 0.0006990600000000, 0.0001068900000000 ] - [ -0.0004508800000000, -0.0005544100000000, 0.0002844300000000 ] - [ 0.0002284000000000, 0.0005674900000000, -0.0001617900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016958800000000, -0.0012337200000000, 0.0011248900000000 ] - [ -0.0003441900000000, 0.0004581300000000, 0.0002070900000000 ] - [ 0.0018509600000000, 0.0004123700000000, -0.0000769700000000 ] - [ 0.0003803000000000, 0.0000608800000000, -0.0001380100000000 ] - [ 0.0009385900000000, -0.0006913600000000, -0.0026560100000000 ] - [ 0.0000948800000000, 0.0002149100000000, -0.0008770200000000 ] - [ -0.0004250200000000, 0.0001044100000000, 0.0015717100000000 ] - [ -0.0001081100000000, 0.0001155500000000, 0.0006187700000000 ] - [ -0.0009385900000000, -0.0006913600000000, -0.0026560100000000 ] - [ -0.0000948800000000, 0.0002149100000000, -0.0008770200000000 ] - [ 0.0004250200000000, 0.0001044100000000, 0.0015717100000000 ] - [ 0.0001081100000000, 0.0001155500000000, 0.0006187700000000 ] - [ 0.0016958800000000, -0.0012337200000000, 0.0011248900000000 ] - [ 0.0003441900000000, 0.0004581300000000, 0.0002070900000000 ] - [ -0.0018509600000000, 0.0004123700000000, -0.0000769700000000 ] - [ -0.0003803000000000, 0.0000608800000000, -0.0001380100000000 ] - [ 0.0000000000000000, -0.0827534100000000, -0.2111363800000000 ] - [ 0.0000000000000000, 0.0001727800000000, -0.0009819700000000 ] - [ 0.0000000000000000, 0.0000999100000000, 0.0057134900000000 ] - [ 0.0000000000000000, 0.0004170100000000, 0.0008687000000000 ] - [ 0.0000000000000000, -0.0094546300000000, 0.0181762100000000 ] - [ 0.0000000000000000, 0.0011307400000000, 0.0000622700000000 ] - [ 0.0000000000000000, 0.0101064600000000, 0.0179568200000000 ] - [ 0.0000000000000000, -0.0003069400000000, 0.0000668200000000 ] - [ 0.0003327600000000, -0.0003606200000000, -0.0006042000000000 ] - [ 0.0139852000000000, 0.0083790600000000, 0.0120417900000000 ] - [ -0.0004594800000000, 0.0008190900000000, 0.0005888400000000 ] - [ -0.0031593200000000, -0.0019499400000000, 0.0036970100000000 ] - [ 0.0039528300000000, 0.0056898300000000, -0.0049361900000000 ] - [ 0.0002992100000000, -0.0010556700000000, -0.0016721200000000 ] - [ -0.0012173900000000, -0.0008148000000000, 0.0029493300000000 ] - [ -0.0002267900000000, 0.0005154300000000, 0.0014979200000000 ] - [ -0.0003327600000000, -0.0003606200000000, -0.0006042000000000 ] - [ -0.0139852000000000, 0.0083790600000000, 0.0120417900000000 ] - [ 0.0004594800000000, 0.0008190900000000, 0.0005888400000000 ] - [ 0.0031593200000000, -0.0019499400000000, 0.0036970100000000 ] - [ -0.0039528300000000, 0.0056898300000000, -0.0049361900000000 ] - [ -0.0002992100000000, -0.0010556700000000, -0.0016721200000000 ] - [ 0.0012173900000000, -0.0008148000000000, 0.0029493300000000 ] - [ 0.0002267900000000, 0.0005154300000000, 0.0014979200000000 ] - [ -0.0003417200000000, 0.0000638600000000, -0.0011299400000000 ] - [ 0.0004550300000000, 0.0001470500000000, -0.0025653200000000 ] - [ -0.0001609200000000, 0.0001261300000000, 0.0008288500000000 ] - [ -0.0004178200000000, -0.0003535800000000, 0.0012986800000000 ] - [ -0.0003998900000000, -0.0004496400000000, 0.0001587300000000 ] - [ -0.0022932500000000, 0.0012831700000000, 0.0012308000000000 ] - [ 0.0006810300000000, 0.0004884000000000, -0.0000881000000000 ] - [ 0.0011141000000000, -0.0009657000000000, 0.0000857000000000 ] - [ 0.0003998900000000, -0.0004496400000000, 0.0001587300000000 ] - [ 0.0022932500000000, 0.0012831700000000, 0.0012308000000000 ] - [ -0.0006810300000000, 0.0004884000000000, -0.0000881000000000 ] - [ -0.0011141000000000, -0.0009657000000000, 0.0000857000000000 ] - [ 0.0003417200000000, 0.0000638600000000, -0.0011299400000000 ] - [ -0.0004550300000000, 0.0001470500000000, -0.0025653200000000 ] - [ 0.0001609200000000, 0.0001261300000000, 0.0008288500000000 ] - [ 0.0004178200000000, -0.0003535800000000, 0.0012986800000000 ] - [ 0.0000000000000000, -0.0000295500000000, -0.0000597700000000 ] - [ 0.0000000000000000, 0.0001298300000000, -0.0000693900000000 ] - [ 0.0000000000000000, 0.0000863200000000, -0.0000665600000000 ] - [ 0.0000000000000000, -0.0000167800000000, -0.0000562800000000 ] - [ 0.0000000000000000, 0.0000121800000000, -0.0002335700000000 ] - [ 0.0000000000000000, -0.0000060500000000, -0.0003772600000000 ] - [ 0.0000000000000000, -0.0001122400000000, 0.0001518200000000 ] - [ 0.0000000000000000, -0.0000982100000000, 0.0002977400000000 ] - [ 0.0001140500000000, -0.0000341800000000, -0.0004349900000000 ] - [ 0.0000575300000000, 0.0000451100000000, -0.0003048500000000 ] - [ -0.0001543600000000, -0.0001210000000000, 0.0004679100000000 ] - [ -0.0001359400000000, 0.0001718800000000, 0.0004377000000000 ] - [ 0.0003796300000000, -0.0000323100000000, -0.0002343500000000 ] - [ 0.0000700500000000, 0.0000697100000000, -0.0001445600000000 ] - [ -0.0003908900000000, -0.0001057800000000, 0.0003206400000000 ] - [ -0.0001679900000000, 0.0000270800000000, 0.0002042700000000 ] - [ -0.0001140500000000, -0.0000341800000000, -0.0004349900000000 ] - [ -0.0000575300000000, 0.0000451100000000, -0.0003048500000000 ] - [ 0.0001543600000000, -0.0001210000000000, 0.0004679100000000 ] - [ 0.0001359400000000, 0.0001718800000000, 0.0004377000000000 ] - [ -0.0003796300000000, -0.0000323100000000, -0.0002343500000000 ] - [ -0.0000700500000000, 0.0000697100000000, -0.0001445600000000 ] - [ 0.0003908900000000, -0.0001057800000000, 0.0003206400000000 ] - [ 0.0001679900000000, 0.0000270800000000, 0.0002042700000000 ] - [ 0.0004312600000000, -0.0001366600000000, 0.0006477300000000 ] - [ 0.0068067000000000, 0.0007786900000000, 0.0017020100000000 ] - [ -0.0005996400000000, -0.0003115700000000, -0.0005184200000000 ] - [ -0.0024939100000000, 0.0001008500000000, -0.0011617300000000 ] - [ -0.0022137800000000, 0.0001894900000000, 0.0016191500000000 ] - [ -0.0005292400000000, 0.0003287500000000, 0.0011277000000000 ] - [ 0.0005796500000000, 0.0004262600000000, -0.0014448300000000 ] - [ 0.0003408200000000, -0.0005491600000000, -0.0013746500000000 ] - [ 0.0000000000000000, 0.0172708100000000, 0.1087533400000000 ] - [ 0.0000000000000000, -0.0002291100000000, 0.0014389400000000 ] - [ 0.0000000000000000, 0.0047344300000000, -0.0109536000000000 ] - [ 0.0000000000000000, -0.0007235600000000, -0.0010823000000000 ] - [ 0.0000000000000000, 0.0009064300000000, -0.0090146700000000 ] - [ 0.0000000000000000, -0.0008940600000000, -0.0012865500000000 ] - [ 0.0000000000000000, 0.0387644400000000, 0.0443679300000000 ] - [ 0.0000000000000000, 0.0009188400000000, 0.0009337800000000 ] - [ 0.0022137800000000, 0.0001894900000000, 0.0016191500000000 ] - [ 0.0005292400000000, 0.0003287500000000, 0.0011277000000000 ] - [ -0.0005796500000000, 0.0004262600000000, -0.0014448300000000 ] - [ -0.0003408200000000, -0.0005491600000000, -0.0013746500000000 ] - [ -0.0004312600000000, -0.0001366600000000, 0.0006477300000000 ] - [ -0.0068067000000000, 0.0007786900000000, 0.0017020100000000 ] - [ 0.0005996400000000, -0.0003115700000000, -0.0005184200000000 ] - [ 0.0024939100000000, 0.0001008500000000, -0.0011617300000000 ] - [ 0.0000000000000000, 0.0000997700000000, -0.0000777200000000 ] - [ 0.0000000000000000, 0.0000116500000000, -0.0001540800000000 ] - [ 0.0000000000000000, -0.0000505700000000, 0.0001097200000000 ] - [ 0.0000000000000000, -0.0000294200000000, 0.0001767800000000 ] - [ 0.0000000000000000, -0.0000028500000000, 0.0002364600000000 ] - [ 0.0000000000000000, -0.0001325100000000, 0.0003292800000000 ] - [ 0.0000000000000000, 0.0000034100000000, -0.0002327000000000 ] - [ 0.0000000000000000, 0.0001560400000000, -0.0003075700000000 ] - [ -0.0001336700000000, 0.0001686800000000, -0.0007478100000000 ] - [ -0.0008163600000000, 0.0000783300000000, -0.0049026100000000 ] - [ 0.0005847100000000, -0.0010608200000000, 0.0006069300000000 ] - [ -0.0049716600000000, -0.0011097600000000, 0.0101472700000000 ] - [ 0.0045414500000000, 0.0044257900000000, 0.0009849200000000 ] - [ 0.0015220400000000, -0.0038019100000000, 0.0010372900000000 ] - [ -0.0037147000000000, -0.0018639800000000, -0.0022691400000000 ] - [ -0.0005646900000000, 0.0012571500000000, -0.0007548600000000 ] - [ -0.0045414500000000, 0.0044257900000000, 0.0009849200000000 ] - [ -0.0015220400000000, -0.0038019100000000, 0.0010372900000000 ] - [ 0.0037147000000000, -0.0018639800000000, -0.0022691400000000 ] - [ 0.0005646900000000, 0.0012571500000000, -0.0007548600000000 ] - [ 0.0001336700000000, 0.0001686800000000, -0.0007478100000000 ] - [ 0.0008163600000000, 0.0000783300000000, -0.0049026100000000 ] - [ -0.0005847100000000, -0.0010608200000000, 0.0006069300000000 ] - [ 0.0049716600000000, -0.0011097600000000, 0.0101472700000000 ] - [ 0.0004761500000000, 0.0003613500000000, 0.0003653800000000 ] - [ 0.0004196200000000, -0.0003092400000000, 0.0003998300000000 ] - [ -0.0005109900000000, -0.0001158300000000, -0.0004054200000000 ] - [ -0.0002503500000000, 0.0001756600000000, -0.0002996800000000 ] - [ -0.0004534700000000, 0.0000806900000000, -0.0008013700000000 ] - [ -0.0001226800000000, -0.0000751500000000, -0.0003262700000000 ] - [ 0.0005929400000000, 0.0000008000000000, 0.0008066600000000 ] - [ 0.0001763200000000, -0.0001527500000000, 0.0003190900000000 ] - [ 0.0004534700000000, 0.0000806900000000, -0.0008013700000000 ] - [ 0.0001226800000000, -0.0000751500000000, -0.0003262700000000 ] - [ -0.0005929400000000, 0.0000008000000000, 0.0008066600000000 ] - [ -0.0001763200000000, -0.0001527500000000, 0.0003190900000000 ] - [ -0.0004761500000000, 0.0003613500000000, 0.0003653800000000 ] - [ -0.0004196200000000, -0.0003092400000000, 0.0003998300000000 ] - [ 0.0005109900000000, -0.0001158300000000, -0.0004054200000000 ] - [ 0.0002503500000000, 0.0001756600000000, -0.0002996800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017275000000000, 0.0012745500000000, -0.0012000800000000 ] - [ 0.0003832600000000, -0.0004103200000000, -0.0002818600000000 ] - [ -0.0018040900000000, -0.0003686800000000, 0.0000206800000000 ] - [ -0.0003366000000000, -0.0000160100000000, 0.0000706300000000 ] - [ -0.0009877700000000, 0.0006396000000000, 0.0025660100000000 ] - [ -0.0001374300000000, -0.0002564700000000, 0.0007971300000000 ] - [ 0.0003905300000000, -0.0001498500000000, -0.0016408500000000 ] - [ 0.0000678100000000, -0.0001598100000000, -0.0006880400000000 ] - [ 0.0009877700000000, 0.0006396000000000, 0.0025660100000000 ] - [ 0.0001374300000000, -0.0002564700000000, 0.0007971300000000 ] - [ -0.0003905300000000, -0.0001498500000000, -0.0016408500000000 ] - [ -0.0000678100000000, -0.0001598100000000, -0.0006880400000000 ] - [ -0.0017275000000000, 0.0012745500000000, -0.0012000800000000 ] - [ -0.0003832600000000, -0.0004103200000000, -0.0002818600000000 ] - [ 0.0018040900000000, -0.0003686800000000, 0.0000206800000000 ] - [ 0.0003366000000000, -0.0000160100000000, 0.0000706300000000 ] - [ 0.0000000000000000, 0.0826347200000000, 0.2030521000000000 ] - [ 0.0000000000000000, -0.0000787000000000, 0.0008770600000000 ] - [ 0.0000000000000000, 0.0000012500000000, -0.0058097300000000 ] - [ 0.0000000000000000, -0.0003234400000000, -0.0009653000000000 ] - [ 0.0000000000000000, 0.0092298600000000, -0.0180605500000000 ] - [ 0.0000000000000000, -0.0012168900000000, -0.0001652200000000 ] - [ 0.0000000000000000, -0.0103824900000000, -0.0182792600000000 ] - [ 0.0000000000000000, 0.0002166400000000, -0.0001597100000000 ] - [ -0.0002943500000000, 0.0003926600000000, 0.0006669800000000 ] - [ -0.0137954600000000, -0.0082488900000000, -0.0118671000000000 ] - [ 0.0004988500000000, -0.0007875900000000, -0.0005066500000000 ] - [ 0.0032282300000000, 0.0019996000000000, -0.0036372400000000 ] - [ -0.0039116600000000, -0.0056278800000000, 0.0050735500000000 ] - [ -0.0003288900000000, 0.0010122500000000, 0.0017424900000000 ] - [ 0.0011622900000000, 0.0007706700000000, -0.0028686300000000 ] - [ 0.0001869300000000, -0.0005437400000000, -0.0014232100000000 ] - [ 0.0002943500000000, 0.0003926600000000, 0.0006669800000000 ] - [ 0.0137954600000000, -0.0082488900000000, -0.0118671000000000 ] - [ -0.0004988500000000, -0.0007875900000000, -0.0005066500000000 ] - [ -0.0032282300000000, 0.0019996000000000, -0.0036372400000000 ] - [ 0.0039116600000000, -0.0056278800000000, 0.0050735500000000 ] - [ 0.0003288900000000, 0.0010122500000000, 0.0017424900000000 ] - [ -0.0011622900000000, 0.0007706700000000, -0.0028686300000000 ] - [ -0.0001869300000000, -0.0005437400000000, -0.0014232100000000 ] - [ 0.0003756200000000, -0.0000146000000000, 0.0010458100000000 ] - [ -0.0004089400000000, -0.0000987100000000, 0.0024835500000000 ] - [ 0.0002072600000000, -0.0000850000000000, -0.0008976500000000 ] - [ 0.0004652400000000, 0.0004027100000000, -0.0013672600000000 ] - [ 0.0003547900000000, 0.0004004500000000, -0.0002357000000000 ] - [ 0.0022411200000000, -0.0013230300000000, -0.0013009300000000 ] - [ -0.0007114500000000, -0.0005287100000000, 0.0000280300000000 ] - [ -0.0011424300000000, 0.0009113000000000, -0.0001437200000000 ] - [ -0.0003547900000000, 0.0004004500000000, -0.0002357000000000 ] - [ -0.0022411200000000, -0.0013230300000000, -0.0013009300000000 ] - [ 0.0007114500000000, -0.0005287100000000, 0.0000280300000000 ] - [ 0.0011424300000000, 0.0009113000000000, -0.0001437200000000 ] - [ -0.0003756200000000, -0.0000146000000000, 0.0010458100000000 ] - [ 0.0004089400000000, -0.0000987100000000, 0.0024835500000000 ] - [ -0.0002072600000000, -0.0000850000000000, -0.0008976500000000 ] - [ -0.0004652400000000, 0.0004027100000000, -0.0013672600000000 ] - [ 0.0000000000000000, 0.0001189500000000, -0.0000425600000000 ] - [ 0.0000000000000000, -0.0000383800000000, -0.0000305700000000 ] - [ 0.0000000000000000, 0.0000039100000000, -0.0000285300000000 ] - [ 0.0000000000000000, 0.0001059200000000, -0.0000405800000000 ] - [ 0.0000000000000000, -0.0001031700000000, 0.0001326100000000 ] - [ 0.0000000000000000, -0.0000826700000000, 0.0002767500000000 ] - [ 0.0000000000000000, 0.0000187700000000, -0.0002509500000000 ] - [ 0.0000000000000000, 0.0000087000000000, -0.0003950600000000 ] - [ -0.0000785300000000, 0.0000644000000000, 0.0005058600000000 ] - [ -0.0000207800000000, -0.0000118700000000, 0.0003748500000000 ] - [ 0.0001870900000000, 0.0001531400000000, -0.0003958600000000 ] - [ 0.0001678700000000, -0.0001393800000000, -0.0003658100000000 ] - [ -0.0004145800000000, -0.0000005500000000, 0.0003027000000000 ] - [ -0.0001046400000000, -0.0001005400000000, 0.0002123400000000 ] - [ 0.0003547400000000, 0.0000741800000000, -0.0002458600000000 ] - [ 0.0001330600000000, -0.0000581700000000, -0.0001289300000000 ] - [ 0.0000785300000000, 0.0000644000000000, 0.0005058600000000 ] - [ 0.0000207800000000, -0.0000118700000000, 0.0003748500000000 ] - [ -0.0001870900000000, 0.0001531400000000, -0.0003958600000000 ] - [ -0.0001678700000000, -0.0001393800000000, -0.0003658100000000 ] - [ 0.0004145800000000, -0.0000005500000000, 0.0003027000000000 ] - [ 0.0001046400000000, -0.0001005400000000, 0.0002123400000000 ] - [ -0.0003547400000000, 0.0000741800000000, -0.0002458600000000 ] - [ -0.0001330600000000, -0.0000581700000000, -0.0001289300000000 ] - [ -0.0004296700000000, 0.0001367700000000, -0.0005777400000000 ] - [ -0.0067818800000000, -0.0007717100000000, -0.0016282000000000 ] - [ 0.0006013400000000, 0.0003096200000000, 0.0005693900000000 ] - [ 0.0025085400000000, -0.0000974700000000, 0.0012082900000000 ] - [ 0.0021718800000000, -0.0001796500000000, -0.0015555200000000 ] - [ 0.0005230300000000, -0.0003292600000000, -0.0010634600000000 ] - [ -0.0005688800000000, -0.0004251500000000, 0.0015035900000000 ] - [ -0.0003368500000000, 0.0005430100000000, 0.0014335700000000 ] - [ 0.0000000000000000, -0.0156147100000000, -0.1009279000000000 ] - [ 0.0000000000000000, 0.0002171300000000, -0.0014108400000000 ] - [ 0.0000000000000000, -0.0047605700000000, 0.0110346800000000 ] - [ 0.0000000000000000, 0.0007178500000000, 0.0010906700000000 ] - [ 0.0000000000000000, -0.0008926100000000, 0.0090091800000000 ] - [ 0.0000000000000000, 0.0008961400000000, 0.0012973300000000 ] - [ 0.0000000000000000, -0.0403183700000000, -0.0446851100000000 ] - [ 0.0000000000000000, -0.0009091900000000, -0.0009279200000000 ] - [ -0.0021718800000000, -0.0001796500000000, -0.0015555200000000 ] - [ -0.0005230300000000, -0.0003292600000000, -0.0010634600000000 ] - [ 0.0005688800000000, -0.0004251500000000, 0.0015035900000000 ] - [ 0.0003368500000000, 0.0005430100000000, 0.0014335700000000 ] - [ 0.0004296700000000, 0.0001367700000000, -0.0005777400000000 ] - [ 0.0067818800000000, -0.0007717100000000, -0.0016282000000000 ] - [ -0.0006013400000000, 0.0003096200000000, 0.0005693900000000 ] - [ -0.0025085400000000, -0.0000974700000000, 0.0012082900000000 ] - [ 0.0000000000000000, -0.0001063400000000, 0.0000931600000000 ] - [ 0.0000000000000000, -0.0000189300000000, 0.0001695700000000 ] - [ 0.0000000000000000, 0.0000435200000000, -0.0000965400000000 ] - [ 0.0000000000000000, 0.0000205200000000, -0.0001624400000000 ] - [ 0.0000000000000000, 0.0000101800000000, -0.0002197600000000 ] - [ 0.0000000000000000, 0.0001407000000000, -0.0003132900000000 ] - [ 0.0000000000000000, 0.0000057400000000, 0.0002458800000000 ] - [ 0.0000000000000000, -0.0001473900000000, 0.0003191100000000 ] - [ 0.0001987100000000, -0.0001426400000000, 0.0007596000000000 ] - [ 0.0008721000000000, -0.0000625100000000, 0.0049081300000000 ] - [ -0.0005092400000000, 0.0010595300000000, -0.0005938200000000 ] - [ 0.0050506100000000, 0.0011480900000000, -0.0100797300000000 ] - [ -0.0045823500000000, -0.0044219900000000, -0.0009406100000000 ] - [ -0.0015823700000000, 0.0037665300000000, -0.0010162200000000 ] - [ 0.0036656700000000, 0.0018556400000000, 0.0022621400000000 ] - [ 0.0005012700000000, -0.0012857400000000, 0.0007598100000000 ] - [ 0.0045823500000000, -0.0044219900000000, -0.0009406100000000 ] - [ 0.0015823700000000, 0.0037665300000000, -0.0010162200000000 ] - [ -0.0036656700000000, 0.0018556400000000, 0.0022621400000000 ] - [ -0.0005012700000000, -0.0012857400000000, 0.0007598100000000 ] - [ -0.0001987100000000, -0.0001426400000000, 0.0007596000000000 ] - [ -0.0008721000000000, -0.0000625100000000, 0.0049081300000000 ] - [ 0.0005092400000000, 0.0010595300000000, -0.0005938200000000 ] - [ -0.0050506100000000, 0.0011480900000000, -0.0100797300000000 ] - [ -0.0004076300000000, -0.0003396000000000, -0.0003471500000000 ] - [ -0.0003503800000000, 0.0003283700000000, -0.0003839800000000 ] - [ 0.0005780800000000, 0.0001376600000000, 0.0004121600000000 ] - [ 0.0003179600000000, -0.0001552300000000, 0.0003082000000000 ] - [ 0.0003802400000000, -0.0001015300000000, 0.0008131000000000 ] - [ 0.0000530500000000, 0.0000544800000000, 0.0003381200000000 ] - [ -0.0006555500000000, -0.0000205100000000, -0.0007925000000000 ] - [ -0.0002418800000000, 0.0001292500000000, -0.0003055200000000 ] - [ -0.0003802400000000, -0.0001015300000000, 0.0008131000000000 ] - [ -0.0000530500000000, 0.0000544800000000, 0.0003381200000000 ] - [ 0.0006555500000000, -0.0000205100000000, -0.0007925000000000 ] - [ 0.0002418800000000, 0.0001292500000000, -0.0003055200000000 ] - [ 0.0004076300000000, -0.0003396000000000, -0.0003471500000000 ] - [ 0.0003503800000000, 0.0003283700000000, -0.0003839800000000 ] - [ -0.0005780800000000, 0.0001376600000000, 0.0004121600000000 ] - [ -0.0003179600000000, -0.0001552300000000, 0.0003082000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010198700000000, -0.0004859900000000, -0.0003594500000000 ] - [ 0.0026086800000000, 0.0015710000000000, -0.0015126600000000 ] - [ 0.0007145400000000, -0.0002368700000000, 0.0002349000000000 ] - [ 0.0010385000000000, 0.0002371300000000, 0.0005405200000000 ] - [ -0.0007150600000000, 0.0017543600000000, -0.0005727300000000 ] - [ 0.0058743800000000, -0.0114337700000000, -0.0095457200000000 ] - [ -0.0008028600000000, 0.0003261400000000, 0.0003461500000000 ] - [ -0.0009163100000000, -0.0004234100000000, 0.0015682000000000 ] - [ 0.0010462300000000, -0.0005417700000000, 0.0002383600000000 ] - [ 0.0026543500000000, 0.0015126400000000, 0.0013283100000000 ] - [ 0.0006997100000000, -0.0002368600000000, -0.0002695100000000 ] - [ 0.0009804500000000, 0.0001563000000000, -0.0005366500000000 ] - [ -0.0008535200000000, 0.0021014800000000, 0.0003706900000000 ] - [ 0.0076128400000000, -0.0132751800000000, 0.0101581000000000 ] - [ -0.0008049500000000, 0.0003779500000000, -0.0003276400000000 ] - [ -0.0009891700000000, -0.0002697500000000, -0.0014128300000000 ] - [ -0.0012032400000000, -0.0001995100000000, 0.0002677500000000 ] - [ 0.0027640500000000, 0.0079971100000000, 0.0138266900000000 ] - [ -0.0010857000000000, -0.0001776000000000, -0.0005213700000000 ] - [ -0.0018079400000000, 0.0001610600000000, -0.0032366300000000 ] - [ -0.0021274800000000, -0.0031999800000000, -0.0003573400000000 ] - [ 0.0032105600000000, 0.0150717800000000, -0.0039748500000000 ] - [ -0.0011016400000000, -0.0001207500000000, 0.0001631100000000 ] - [ -0.0011860700000000, 0.0007998400000000, 0.0011459100000000 ] - [ -0.2101309600000000, -0.0709185400000000, -0.0332442700000000 ] - [ -0.0025929400000000, 0.0000226100000000, 0.0001469100000000 ] - [ -0.0025962700000000, -0.0004677800000000, 0.0000099900000000 ] - [ -0.0012385300000000, -0.0000447400000000, -0.0000213100000000 ] - [ 0.0000566500000000, -0.0014452600000000, 0.0012969200000000 ] - [ 0.0007764900000000, 0.0017866200000000, 0.0009380800000000 ] - [ 0.0000567100000000, -0.0011712600000000, -0.0011426700000000 ] - [ 0.0007775600000000, 0.0009549200000000, -0.0015173100000000 ] - [ 0.0191797500000000, 0.0009554100000000, 0.0005900700000000 ] - [ 0.0000277700000000, 0.0005801500000000, 0.0002051100000000 ] - [ -0.0000837100000000, -0.0002568600000000, 0.0002176100000000 ] - [ -0.0003136800000000, 0.0003261600000000, 0.0000697400000000 ] - [ -0.0042498200000000, -0.0002928400000000, 0.0002289000000000 ] - [ -0.0036323600000000, 0.0008954400000000, -0.0000625800000000 ] - [ -0.0042512000000000, 0.0001699900000000, -0.0003504400000000 ] - [ -0.0036321000000000, 0.0003433500000000, -0.0005235400000000 ] - [ 0.0124888600000000, 0.0105934500000000, -0.0125358100000000 ] - [ -0.0009076600000000, -0.0012621400000000, -0.0001803600000000 ] - [ -0.0009107300000000, 0.0001253000000000, 0.0019811300000000 ] - [ -0.0007203600000000, -0.0002227900000000, 0.0003172700000000 ] - [ 0.0026317300000000, -0.0013850300000000, -0.0014314900000000 ] - [ 0.0009499100000000, 0.0005536300000000, -0.0002702900000000 ] - [ 0.0009998600000000, -0.0002913500000000, 0.0005106300000000 ] - [ 0.0006893700000000, 0.0002810800000000, 0.0002024900000000 ] - [ 0.0153321900000000, 0.0125383500000000, 0.0133168800000000 ] - [ -0.0008489300000000, -0.0016754100000000, 0.0000164500000000 ] - [ -0.0010017000000000, 0.0000437400000000, -0.0017975800000000 ] - [ -0.0007227000000000, -0.0002668100000000, -0.0003009000000000 ] - [ 0.0027186000000000, -0.0013956700000000, 0.0012455600000000 ] - [ 0.0010197700000000, 0.0006118200000000, 0.0001700100000000 ] - [ 0.0009308200000000, -0.0002309500000000, -0.0004712400000000 ] - [ 0.0006959800000000, 0.0002872100000000, -0.0002455100000000 ] - [ 0.0022145900000000, 0.0003185500000000, 0.0000505200000000 ] - [ 0.0017134700000000, -0.0002065000000000, -0.0000034700000000 ] - [ 0.0011700000000000, 0.0000556300000000, -0.0002123200000000 ] - [ 0.0011155000000000, -0.0000809600000000, -0.0001955200000000 ] - [ 0.0020988200000000, 0.0000619400000000, -0.0004417800000000 ] - [ 0.0011912100000000, -0.0001598500000000, -0.0001314000000000 ] - [ 0.0017966500000000, -0.0000625600000000, 0.0003285100000000 ] - [ 0.0011371700000000, -0.0002420300000000, 0.0001056100000000 ] - [ 0.0019123200000000, 0.0000350300000000, 0.0002517700000000 ] - [ 0.0019155200000000, 0.0003396000000000, 0.0002749100000000 ] - [ 0.0019149900000000, 0.0000647500000000, -0.0000453600000000 ] - [ 0.0019117300000000, 0.0003512100000000, -0.0001027000000000 ] - [ 0.0009779200000000, 0.0007783700000000, -0.0000171400000000 ] - [ 0.0041267200000000, -0.0006512100000000, -0.0001054100000000 ] - [ 0.0003556900000000, 0.0003134600000000, 0.0000266300000000 ] - [ 0.0008516200000000, -0.0000295200000000, -0.0000420900000000 ] - [ 0.0022676700000000, 0.0014429800000000, -0.0014181400000000 ] - [ 0.0022144500000000, -0.0012505000000000, -0.0010989100000000 ] - [ 0.0022170800000000, 0.0014896700000000, 0.0014707000000000 ] - [ 0.0022665900000000, -0.0013182500000000, 0.0011618500000000 ] - [ 0.0015708500000000, -0.0002229000000000, 0.0000448100000000 ] - [ 0.0028147300000000, -0.0002506600000000, 0.0000672600000000 ] - [ 0.0011774900000000, -0.0001579500000000, 0.0001152600000000 ] - [ 0.0015716300000000, -0.0002371600000000, 0.0001743000000000 ] - [ -0.0094042000000000, -0.0008028500000000, 0.0000617000000000 ] - [ -0.0012888700000000, -0.0000950600000000, 0.0000817400000000 ] - [ -0.0012641300000000, 0.0000303400000000, -0.0000337400000000 ] - [ -0.0006612900000000, -0.0000675600000000, 0.0000054100000000 ] - [ -0.0015932100000000, 0.0010145300000000, -0.0008318900000000 ] - [ -0.0017279600000000, -0.0008725900000000, -0.0008964300000000 ] - [ -0.0015040100000000, 0.0009313100000000, 0.0009010000000000 ] - [ -0.0016525100000000, -0.0008340900000000, 0.0009423400000000 ] - [ 0.0020354000000000, 0.0006637700000000, -0.0008341500000000 ] - [ 0.1242956800000000, 0.0428956700000000, 0.0204376600000000 ] - [ 0.0011549100000000, 0.0000723900000000, 0.0001676200000000 ] - [ 0.0020256500000000, 0.0011092100000000, 0.0006122200000000 ] - [ 0.0020211700000000, 0.0016851300000000, 0.0023688300000000 ] - [ 0.0021946900000000, -0.0025607600000000, 0.0061004800000000 ] - [ 0.0020254900000000, 0.0010721300000000, -0.0010584100000000 ] - [ 0.0024273000000000, -0.0054192200000000, -0.0028755700000000 ] - [ 0.0029418000000000, -0.0045191200000000, 0.0047548700000000 ] - [ 0.0019172500000000, 0.0037828100000000, 0.0036057900000000 ] - [ 0.0030016500000000, -0.0048863000000000, -0.0051661600000000 ] - [ 0.0019222300000000, 0.0040268600000000, -0.0039763500000000 ] - [ -0.0039249500000000, 0.0034941400000000, 0.0003564900000000 ] - [ 0.0010721800000000, -0.0006392800000000, 0.0001674300000000 ] - [ 0.0009841900000000, 0.0002781700000000, -0.0002003600000000 ] - [ 0.0006878600000000, -0.0001455300000000, -0.0000335100000000 ] - [ -0.0026480000000000, -0.0001334000000000, -0.0003287400000000 ] - [ -0.0022111900000000, 0.0003133200000000, -0.0000678100000000 ] - [ -0.0024007400000000, -0.0001030200000000, 0.0004025900000000 ] - [ -0.0020864000000000, 0.0002409200000000, 0.0001962200000000 ] - [ -0.0037619100000000, -0.0002021400000000, 0.0002347500000000 ] - [ -0.0017907000000000, 0.0001007500000000, 0.0001124400000000 ] - [ -0.0017290800000000, 0.0001427800000000, -0.0002736700000000 ] - [ -0.0012075100000000, 0.0000950300000000, -0.0001507100000000 ] - [ 0.0107358700000000, 0.0001209800000000, -0.0017150600000000 ] - [ 0.0018778100000000, -0.0002561200000000, -0.0003172600000000 ] - [ 0.0097297900000000, 0.0006825500000000, 0.0024232200000000 ] - [ 0.0017069800000000, -0.0002871300000000, 0.0002860400000000 ] - [ -0.0028234700000000, 0.0048165300000000, -0.0000409100000000 ] - [ -0.0028145800000000, -0.0029176000000000, -0.0004189100000000 ] - [ -0.0000293600000000, 0.0004749200000000, 0.0000034000000000 ] - [ -0.0004012000000000, -0.0004739200000000, 0.0000039600000000 ] - [ 0.0118818500000000, 0.0040168500000000, -0.0003357100000000 ] - [ 0.0074778900000000, 0.0019112700000000, -0.0002878900000000 ] - [ 0.0017052000000000, -0.0004444400000000, -0.0001087500000000 ] - [ 0.0020068900000000, 0.0001685100000000, -0.0000863800000000 ] - [ -0.0022197300000000, 0.0000558800000000, 0.0038470400000000 ] - [ -0.0001687100000000, -0.0003040100000000, 0.0004656700000000 ] - [ -0.0029140000000000, 0.0007267000000000, -0.0034299400000000 ] - [ -0.0000758000000000, -0.0003319300000000, -0.0003559900000000 ] - [ -0.0021261500000000, 0.0004148900000000, 0.0001149600000000 ] - [ -0.0021486600000000, -0.0003766000000000, 0.0001055200000000 ] - [ -0.0012874200000000, 0.0001127500000000, -0.0000084600000000 ] - [ -0.0012770800000000, -0.0001400300000000, 0.0000021100000000 ] - [ -0.0003745400000000, -0.0004546500000000, -0.0005404000000000 ] - [ -0.0030284400000000, 0.0007956100000000, -0.0029043000000000 ] - [ -0.0003125000000000, -0.0004462000000000, 0.0004943200000000 ] - [ -0.0025190500000000, 0.0007757400000000, 0.0025908600000000 ] - [ -0.0012913700000000, -0.0000627200000000, 0.0001638400000000 ] - [ -0.0021138400000000, 0.0000600500000000, 0.0004495800000000 ] - [ -0.0012726500000000, -0.0000653400000000, -0.0000858100000000 ] - [ -0.0021540000000000, 0.0000551900000000, -0.0003145300000000 ] - [ -0.0031259900000000, -0.0035083600000000, 0.0001669500000000 ] - [ -0.0024846100000000, 0.0025230100000000, 0.0001228800000000 ] - [ -0.0003272900000000, -0.0004867500000000, -0.0001283800000000 ] - [ -0.0003156300000000, 0.0005877100000000, -0.0001314500000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009780600000000, 0.0005364600000000, 0.0002864000000000 ] - [ -0.0025734300000000, -0.0015351500000000, 0.0014475100000000 ] - [ -0.0006717300000000, 0.0002847300000000, -0.0003087700000000 ] - [ -0.0009958900000000, -0.0001918200000000, -0.0006144100000000 ] - [ 0.0006565600000000, -0.0018086000000000, 0.0005091200000000 ] - [ -0.0058937700000000, 0.0112960300000000, 0.0093932300000000 ] - [ 0.0007571600000000, -0.0003752400000000, -0.0004228800000000 ] - [ 0.0008657300000000, 0.0003836900000000, -0.0016408100000000 ] - [ -0.0010043900000000, 0.0004980800000000, -0.0003116000000000 ] - [ -0.0026197400000000, -0.0015706200000000, -0.0014090300000000 ] - [ -0.0006574500000000, 0.0001904600000000, 0.0001991900000000 ] - [ -0.0009373000000000, -0.0002053200000000, 0.0004661200000000 ] - [ 0.0007956400000000, -0.0020575400000000, -0.0004547300000000 ] - [ -0.0076144500000000, 0.0131988100000000, -0.0101360900000000 ] - [ 0.0007587200000000, -0.0003325800000000, 0.0002569700000000 ] - [ 0.0009419900000000, 0.0003213800000000, 0.0013361200000000 ] - [ 0.0012086400000000, 0.0003005500000000, -0.0003703400000000 ] - [ -0.0027212000000000, -0.0079189500000000, -0.0139650500000000 ] - [ 0.0010930500000000, 0.0002740700000000, 0.0004205400000000 ] - [ 0.0018194900000000, -0.0000597800000000, 0.0031371900000000 ] - [ 0.0021427100000000, 0.0030967700000000, 0.0002590900000000 ] - [ -0.0031591300000000, -0.0152250900000000, 0.0038730000000000 ] - [ 0.0011069900000000, 0.0000146500000000, -0.0002623800000000 ] - [ 0.0011884600000000, -0.0009014300000000, -0.0012470100000000 ] - [ 0.2147091900000000, 0.0753336800000000, 0.0352912500000000 ] - [ 0.0026050200000000, 0.0000177000000000, -0.0000761300000000 ] - [ 0.0026107500000000, 0.0005104400000000, 0.0000625600000000 ] - [ 0.0012514700000000, 0.0000861100000000, 0.0000934100000000 ] - [ -0.0000608800000000, 0.0014107500000000, -0.0012303700000000 ] - [ -0.0007816300000000, -0.0018234300000000, -0.0008657000000000 ] - [ -0.0000601300000000, 0.0011362200000000, 0.0012199400000000 ] - [ -0.0007816000000000, -0.0009923900000000, 0.0015872400000000 ] - [ -0.0193858900000000, -0.0009344300000000, -0.0005282000000000 ] - [ -0.0000342300000000, -0.0005411700000000, -0.0001337700000000 ] - [ 0.0000792300000000, 0.0002957200000000, -0.0001458900000000 ] - [ 0.0003053400000000, -0.0002846700000000, 0.0000027700000000 ] - [ 0.0042595200000000, 0.0002298700000000, -0.0001287600000000 ] - [ 0.0036420100000000, -0.0009367800000000, 0.0001354200000000 ] - [ 0.0042587600000000, -0.0002352000000000, 0.0003921100000000 ] - [ 0.0036435200000000, -0.0003820500000000, 0.0005953300000000 ] - [ -0.0123100000000000, -0.0104118000000000, 0.0123016800000000 ] - [ 0.0009422800000000, 0.0013021400000000, 0.0001089600000000 ] - [ 0.0009352600000000, -0.0000833800000000, -0.0020497400000000 ] - [ 0.0007576500000000, 0.0002696400000000, -0.0003890900000000 ] - [ -0.0026790200000000, 0.0013457500000000, 0.0013650900000000 ] - [ -0.0009868700000000, -0.0006014000000000, 0.0001959000000000 ] - [ -0.0010364600000000, 0.0002446000000000, -0.0005882900000000 ] - [ -0.0007245500000000, -0.0003281400000000, -0.0002762300000000 ] - [ -0.0150887700000000, -0.0124056800000000, -0.0131986200000000 ] - [ 0.0008850000000000, 0.0016203300000000, -0.0000896000000000 ] - [ 0.0010320000000000, -0.0000932400000000, 0.0017200300000000 ] - [ 0.0007588000000000, 0.0002197200000000, 0.0002264800000000 ] - [ -0.0027643300000000, 0.0014506900000000, -0.0013273400000000 ] - [ -0.0010552500000000, -0.0005646600000000, -0.0002432600000000 ] - [ -0.0009688300000000, 0.0002788500000000, 0.0004018600000000 ] - [ -0.0007317100000000, -0.0002402000000000, 0.0001725900000000 ] - [ -0.0022128500000000, -0.0002146300000000, -0.0001499100000000 ] - [ -0.0017130600000000, 0.0003058400000000, -0.0000959600000000 ] - [ -0.0011697600000000, 0.0000439500000000, 0.0001117500000000 ] - [ -0.0011174400000000, 0.0001808500000000, 0.0000965500000000 ] - [ -0.0021008600000000, -0.0001622600000000, 0.0003400600000000 ] - [ -0.0011909700000000, 0.0000586700000000, 0.0000318500000000 ] - [ -0.0017961400000000, -0.0000414100000000, -0.0004277300000000 ] - [ -0.0011389500000000, 0.0001386500000000, -0.0002048900000000 ] - [ -0.0019022200000000, 0.0000044700000000, -0.0001816500000000 ] - [ -0.0019074400000000, -0.0003041500000000, -0.0002045300000000 ] - [ -0.0019065000000000, -0.0000242500000000, 0.0001185200000000 ] - [ -0.0019037500000000, -0.0003148300000000, 0.0001744900000000 ] - [ -0.0009915000000000, -0.0008157500000000, 0.0000894400000000 ] - [ -0.0041240000000000, 0.0006093800000000, 0.0001765800000000 ] - [ -0.0003700300000000, -0.0003522900000000, 0.0000457900000000 ] - [ -0.0008650000000000, -0.0000093900000000, 0.0001152300000000 ] - [ -0.0022743600000000, -0.0013959100000000, 0.0014853700000000 ] - [ -0.0022232800000000, 0.0012886900000000, 0.0011686400000000 ] - [ -0.0022201900000000, -0.0014407400000000, -0.0013909400000000 ] - [ -0.0022756600000000, 0.0013544600000000, -0.0010859200000000 ] - [ -0.0015609500000000, 0.0001855800000000, 0.0000262200000000 ] - [ -0.0028043200000000, 0.0002094300000000, 0.0000029700000000 ] - [ -0.0011699200000000, 0.0001206200000000, -0.0000443500000000 ] - [ -0.0015616200000000, 0.0001997900000000, -0.0001024400000000 ] - [ 0.0094347000000000, 0.0008089400000000, 0.0000000700000000 ] - [ 0.0012864500000000, 0.0000933200000000, -0.0000192000000000 ] - [ 0.0012613200000000, -0.0000299100000000, 0.0000979100000000 ] - [ 0.0006590700000000, 0.0000702500000000, 0.0000569700000000 ] - [ 0.0015912900000000, -0.0010206900000000, 0.0009007200000000 ] - [ 0.0017238100000000, 0.0008773200000000, 0.0009618700000000 ] - [ 0.0015016300000000, -0.0009354200000000, -0.0008423900000000 ] - [ 0.0016483500000000, 0.0008371800000000, -0.0008822000000000 ] - [ -0.0020394900000000, -0.0006643300000000, 0.0008479300000000 ] - [ -0.1314313400000000, -0.0467904200000000, -0.0222810200000000 ] - [ -0.0011577800000000, -0.0000753000000000, -0.0001540500000000 ] - [ -0.0020352400000000, -0.0011168400000000, -0.0005961000000000 ] - [ -0.0020475800000000, -0.0016741500000000, -0.0023541400000000 ] - [ -0.0022031500000000, 0.0025630800000000, -0.0060760900000000 ] - [ -0.0020496400000000, -0.0010639800000000, 0.0010738400000000 ] - [ -0.0024281900000000, 0.0054100500000000, 0.0028808000000000 ] - [ -0.0029146000000000, 0.0045068700000000, -0.0046818800000000 ] - [ -0.0019110000000000, -0.0037840400000000, -0.0035390500000000 ] - [ -0.0029708600000000, 0.0048704600000000, 0.0052151500000000 ] - [ -0.0019143300000000, -0.0040267100000000, 0.0040329700000000 ] - [ 0.0060558200000000, -0.0038095700000000, -0.0003727500000000 ] - [ -0.0010659400000000, 0.0006469100000000, -0.0001052300000000 ] - [ -0.0009765800000000, -0.0002782600000000, 0.0002640400000000 ] - [ -0.0006837700000000, 0.0001502700000000, 0.0000979100000000 ] - [ 0.0026454500000000, 0.0001296600000000, 0.0003430600000000 ] - [ 0.0022143000000000, -0.0003149500000000, 0.0000813300000000 ] - [ 0.0024010600000000, 0.0000971400000000, -0.0003864200000000 ] - [ 0.0020906000000000, -0.0002443500000000, -0.0001801100000000 ] - [ 0.0037579300000000, 0.0002030800000000, -0.0002186300000000 ] - [ 0.0017930400000000, -0.0000944900000000, -0.0000968800000000 ] - [ 0.0017332400000000, -0.0001351500000000, 0.0002883200000000 ] - [ 0.0012119700000000, -0.0000904500000000, 0.0001659800000000 ] - [ -0.0106415900000000, -0.0001062200000000, 0.0017536400000000 ] - [ -0.0018148900000000, 0.0002886400000000, 0.0003296700000000 ] - [ -0.0096302800000000, -0.0006659700000000, -0.0024653100000000 ] - [ -0.0016426700000000, 0.0003197200000000, -0.0002743800000000 ] - [ 0.0027703500000000, -0.0048762500000000, 0.0000531500000000 ] - [ 0.0027462000000000, 0.0028987000000000, 0.0004312400000000 ] - [ -0.0000373000000000, -0.0005055900000000, 0.0000095900000000 ] - [ 0.0003356900000000, 0.0004457700000000, 0.0000092700000000 ] - [ -0.0118293100000000, -0.0040767200000000, 0.0003510700000000 ] - [ -0.0073964100000000, -0.0019790300000000, 0.0002992700000000 ] - [ -0.0016365800000000, 0.0004170200000000, 0.0001224400000000 ] - [ -0.0019443300000000, -0.0001977100000000, 0.0000991400000000 ] - [ 0.0021627000000000, -0.0000232000000000, -0.0038570900000000 ] - [ 0.0001033400000000, 0.0003324500000000, -0.0004529800000000 ] - [ 0.0028482300000000, -0.0006926300000000, 0.0034597100000000 ] - [ 0.0000100500000000, 0.0003601100000000, 0.0003690300000000 ] - [ 0.0021914800000000, -0.0003887300000000, -0.0001033000000000 ] - [ 0.0022122400000000, 0.0004090000000000, -0.0000934400000000 ] - [ 0.0013482300000000, -0.0000847500000000, 0.0000203400000000 ] - [ 0.0013398700000000, 0.0001707200000000, 0.0000090900000000 ] - [ 0.0003176400000000, 0.0004245700000000, 0.0005530000000000 ] - [ 0.0029634900000000, -0.0008191900000000, 0.0029054100000000 ] - [ 0.0002549900000000, 0.0004173000000000, -0.0004810700000000 ] - [ 0.0024567900000000, -0.0007991800000000, -0.0025681400000000 ] - [ 0.0013550000000000, 0.0000317700000000, -0.0001528300000000 ] - [ 0.0021781600000000, -0.0000898300000000, -0.0004407200000000 ] - [ 0.0013350700000000, 0.0000354100000000, 0.0000986500000000 ] - [ 0.0022178700000000, -0.0000841000000000, 0.0003300100000000 ] - [ 0.0030602900000000, 0.0035208300000000, -0.0001519700000000 ] - [ 0.0024212600000000, -0.0024857900000000, -0.0001085500000000 ] - [ 0.0002721900000000, 0.0005145900000000, 0.0001409900000000 ] - [ 0.0002581800000000, -0.0005591800000000, 0.0001442000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002039900000000, 0.0004318800000000, -0.0000580500000000 ] - [ 0.0005153700000000, -0.0006419100000000, 0.0000038300000000 ] - [ -0.0000753200000000, 0.0002554700000000, -0.0000989000000000 ] - [ 0.0003631500000000, -0.0001403300000000, 0.0001183500000000 ] - [ 0.0028768000000000, 0.0036859700000000, -0.0025412600000000 ] - [ -0.0095279500000000, 0.0039213500000000, 0.0072893500000000 ] - [ 0.0004073800000000, 0.0009434700000000, 0.0007793400000000 ] - [ -0.0001336100000000, -0.0009647200000000, -0.0011551600000000 ] - [ -0.0001134400000000, 0.0003416700000000, -0.0000617700000000 ] - [ 0.0004824000000000, -0.0005552800000000, -0.0000754600000000 ] - [ -0.0001022700000000, 0.0002886800000000, 0.0000745000000000 ] - [ 0.0003490700000000, -0.0003609100000000, -0.0001783700000000 ] - [ 0.0025290500000000, 0.0035692500000000, 0.0022474300000000 ] - [ -0.0108794500000000, 0.0051543200000000, -0.0078544000000000 ] - [ 0.0004046700000000, 0.0009499000000000, -0.0008751600000000 ] - [ -0.0001643600000000, -0.0007369900000000, 0.0010693200000000 ] - [ -0.0006812400000000, 0.0014340700000000, -0.0004319700000000 ] - [ 0.0061762000000000, -0.0009852600000000, 0.0082725300000000 ] - [ -0.0005354200000000, 0.0014900700000000, 0.0007614800000000 ] - [ 0.0000830800000000, -0.0015105100000000, -0.0020262900000000 ] - [ -0.0038254300000000, 0.0044059000000000, 0.0009964200000000 ] - [ 0.0145844400000000, 0.0148929500000000, -0.0056695100000000 ] - [ -0.0007791800000000, 0.0004930500000000, -0.0005793200000000 ] - [ -0.0000570500000000, 0.0000699300000000, 0.0007475000000000 ] - [ -0.0727532700000000, -0.1121081100000000, -0.0112688600000000 ] - [ 0.0000039800000000, 0.0038545000000000, 0.0000161900000000 ] - [ -0.0004842100000000, -0.0012858700000000, 0.0000134700000000 ] - [ -0.0000633700000000, 0.0010037700000000, 0.0000538600000000 ] - [ -0.0011581600000000, -0.0005052900000000, -0.0003238500000000 ] - [ 0.0009751900000000, 0.0010445600000000, 0.0005804200000000 ] - [ -0.0014346700000000, -0.0005061700000000, 0.0007159300000000 ] - [ 0.0018013900000000, 0.0010397900000000, -0.0018786300000000 ] - [ -0.0009329000000000, -0.0040732700000000, -0.0001597500000000 ] - [ -0.0005696900000000, 0.0020535300000000, -0.0000237400000000 ] - [ 0.0002753200000000, -0.0006803300000000, 0.0001076500000000 ] - [ -0.0003091700000000, 0.0007148200000000, 0.0000861100000000 ] - [ -0.0001993800000000, 0.0010528400000000, -0.0050458700000000 ] - [ -0.0003608300000000, 0.0016850300000000, 0.0013605300000000 ] - [ 0.0002695500000000, 0.0010515100000000, 0.0049728400000000 ] - [ -0.0009110300000000, 0.0016838600000000, -0.0018925700000000 ] - [ 0.0082094700000000, -0.0014238700000000, -0.0054265100000000 ] - [ -0.0005268800000000, 0.0027739400000000, 0.0001801400000000 ] - [ 0.0001663700000000, -0.0013399900000000, 0.0009008400000000 ] - [ -0.0002884200000000, 0.0010660600000000, -0.0003589500000000 ] - [ -0.0001269200000000, -0.0004840000000000, -0.0000563200000000 ] - [ 0.0003896100000000, 0.0005821800000000, -0.0001042300000000 ] - [ 0.0000583200000000, -0.0004859100000000, -0.0000261000000000 ] - [ 0.0001772800000000, 0.0003675100000000, 0.0000751700000000 ] - [ 0.0100612400000000, -0.0007703400000000, 0.0059065200000000 ] - [ -0.0005273700000000, 0.0027852800000000, -0.0001704400000000 ] - [ 0.0002842600000000, -0.0012944200000000, -0.0009304300000000 ] - [ -0.0002268500000000, 0.0009748600000000, 0.0002143400000000 ] - [ -0.0000321400000000, -0.0005052300000000, -0.0001581100000000 ] - [ 0.0004187800000000, 0.0006727200000000, 0.0001316100000000 ] - [ -0.0000806900000000, -0.0003998900000000, 0.0001030000000000 ] - [ 0.0003045400000000, 0.0004818700000000, -0.0002270700000000 ] - [ 0.0006460300000000, -0.0004364900000000, -0.0000979800000000 ] - [ -0.0002421200000000, 0.0005813900000000, -0.0000171900000000 ] - [ 0.0003284600000000, -0.0002668300000000, -0.0001819500000000 ] - [ -0.0000603500000000, 0.0004101000000000, 0.0001070700000000 ] - [ 0.0002125800000000, -0.0005709900000000, -0.0000320000000000 ] - [ 0.0001990300000000, 0.0004710100000000, -0.0001335000000000 ] - [ 0.0001145800000000, -0.0005426800000000, 0.0000411000000000 ] - [ 0.0001872200000000, 0.0004869200000000, -0.0000899900000000 ] - [ 0.0003344800000000, 0.0000299500000000, 0.0000209900000000 ] - [ 0.0000437300000000, 0.0000605100000000, 0.0000645200000000 ] - [ 0.0003215900000000, 0.0000596900000000, 0.0000954300000000 ] - [ 0.0000162200000000, 0.0000314800000000, 0.0000077400000000 ] - [ 0.0008008700000000, 0.0012119600000000, 0.0000515600000000 ] - [ -0.0006362300000000, -0.0019875400000000, 0.0000198800000000 ] - [ 0.0003326200000000, 0.0005476200000000, -0.0000048800000000 ] - [ -0.0000140200000000, -0.0005812400000000, 0.0000526000000000 ] - [ 0.0013362900000000, 0.0003540700000000, -0.0007304900000000 ] - [ -0.0014685500000000, 0.0004559100000000, 0.0008993300000000 ] - [ 0.0012697700000000, 0.0004473500000000, 0.0007969700000000 ] - [ -0.0014234900000000, 0.0003610900000000, -0.0008448900000000 ] - [ 0.0002058200000000, 0.0002865200000000, 0.0000350300000000 ] - [ 0.0002314100000000, -0.0003809100000000, 0.0000391900000000 ] - [ 0.0001385400000000, 0.0002082700000000, 0.0000346900000000 ] - [ 0.0002193400000000, -0.0002866500000000, 0.0000614200000000 ] - [ 0.0001350400000000, 0.0007049600000000, 0.0001308700000000 ] - [ -0.0000204200000000, -0.0007842800000000, 0.0000652000000000 ] - [ -0.0003028800000000, 0.0005092200000000, -0.0000368500000000 ] - [ 0.0000186700000000, -0.0005407400000000, 0.0000447000000000 ] - [ 0.0004067800000000, 0.0001444800000000, 0.0000822800000000 ] - [ -0.0007785000000000, -0.0001055500000000, -0.0001437900000000 ] - [ 0.0005879100000000, 0.0000650900000000, -0.0000377000000000 ] - [ -0.0011070100000000, -0.0000108500000000, 0.0001641500000000 ] - [ 0.0008304500000000, -0.0041748900000000, 0.0010115400000000 ] - [ 0.0447589500000000, 0.0443361900000000, 0.0101737800000000 ] - [ 0.0002599900000000, -0.0011699200000000, -0.0002742700000000 ] - [ 0.0003595800000000, 0.0012496200000000, 0.0002627700000000 ] - [ 0.0028103400000000, -0.0016921100000000, -0.0031829700000000 ] - [ -0.0004572100000000, -0.0013225400000000, 0.0075505100000000 ] - [ 0.0026864900000000, -0.0010909800000000, 0.0012496200000000 ] - [ -0.0003201200000000, -0.0027215500000000, -0.0022518000000000 ] - [ -0.0018837300000000, -0.0006557500000000, 0.0030930300000000 ] - [ 0.0007116700000000, -0.0028851000000000, -0.0027135200000000 ] - [ -0.0018412300000000, -0.0009501300000000, -0.0032462100000000 ] - [ 0.0008744900000000, -0.0029198500000000, 0.0030166500000000 ] - [ 0.0044659600000000, 0.0195596100000000, -0.0000230400000000 ] - [ -0.0004511400000000, -0.0045656500000000, -0.0001003100000000 ] - [ 0.0002673600000000, 0.0020092900000000, 0.0000497700000000 ] - [ -0.0000043700000000, -0.0016428900000000, 0.0000565600000000 ] - [ -0.0009238100000000, 0.0003941300000000, -0.0001154300000000 ] - [ 0.0003705400000000, -0.0004784500000000, -0.0000419400000000 ] - [ -0.0008465600000000, 0.0004447100000000, 0.0001325600000000 ] - [ 0.0003321700000000, -0.0004811400000000, -0.0000233400000000 ] - [ -0.0001884100000000, 0.0007461700000000, -0.0000129200000000 ] - [ -0.0004953600000000, -0.0006875200000000, 0.0000215400000000 ] - [ -0.0001280900000000, 0.0004363500000000, -0.0000195200000000 ] - [ -0.0003114900000000, -0.0004649600000000, 0.0000171200000000 ] - [ 0.0002907000000000, 0.0089061800000000, 0.0002615000000000 ] - [ 0.0003112900000000, -0.0027431500000000, -0.0003814200000000 ] - [ 0.0011151300000000, 0.0077499900000000, -0.0013137200000000 ] - [ 0.0003577200000000, -0.0024992800000000, 0.0003909000000000 ] - [ 0.0024575900000000, 0.0002141700000000, 0.0003638000000000 ] - [ -0.0033777700000000, -0.0014278600000000, -0.0009250000000000 ] - [ 0.0004525900000000, 0.0003306200000000, -0.0001090000000000 ] - [ -0.0005002200000000, -0.0003256100000000, 0.0001689100000000 ] - [ 0.0016491800000000, 0.0236198700000000, -0.0009603400000000 ] - [ 0.0038963700000000, -0.0124409800000000, -0.0007952200000000 ] - [ -0.0001964600000000, 0.0003520000000000, -0.0000902300000000 ] - [ 0.0004726300000000, -0.0004991700000000, 0.0001256800000000 ] - [ -0.0004832300000000, 0.0016001500000000, 0.0000732800000000 ] - [ 0.0002589200000000, -0.0013953000000000, -0.0000415400000000 ] - [ -0.0012068000000000, 0.0015277700000000, -0.0001731000000000 ] - [ 0.0002610600000000, -0.0009558200000000, 0.0000248600000000 ] - [ -0.0001198400000000, 0.0000190100000000, 0.0000641200000000 ] - [ -0.0003066100000000, 0.0000151100000000, -0.0000050300000000 ] - [ -0.0001142100000000, 0.0000472500000000, -0.0000188700000000 ] - [ -0.0001526400000000, -0.0000084000000000, 0.0000186700000000 ] - [ -0.0005404000000000, -0.0015008000000000, -0.0003037600000000 ] - [ 0.0004013700000000, 0.0028678400000000, 0.0002675800000000 ] - [ -0.0005570200000000, -0.0014531600000000, 0.0003108000000000 ] - [ 0.0003626300000000, 0.0026509100000000, -0.0002392500000000 ] - [ -0.0001090300000000, -0.0004273500000000, 0.0000084200000000 ] - [ -0.0001848000000000, 0.0003917000000000, 0.0000248600000000 ] - [ -0.0001189300000000, -0.0003759400000000, -0.0000037700000000 ] - [ -0.0002587800000000, 0.0003358000000000, 0.0000021200000000 ] - [ -0.0030259900000000, -0.0007715900000000, 0.0000582600000000 ] - [ 0.0022841200000000, -0.0014076000000000, -0.0000350200000000 ] - [ -0.0004927500000000, 0.0001260300000000, -0.0000289200000000 ] - [ 0.0001620900000000, -0.0001858400000000, 0.0000451100000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002396100000000, -0.0003873100000000, -0.0000159100000000 ] - [ -0.0004750300000000, 0.0006962800000000, -0.0000787500000000 ] - [ 0.0001137100000000, -0.0002080800000000, 0.0000254600000000 ] - [ -0.0003219100000000, 0.0001893100000000, -0.0001898800000000 ] - [ -0.0028675700000000, -0.0037070100000000, 0.0024214300000000 ] - [ 0.0095320100000000, -0.0039366500000000, -0.0073846900000000 ] - [ -0.0004428200000000, -0.0009940900000000, -0.0008471800000000 ] - [ 0.0000878400000000, 0.0009261800000000, 0.0010750200000000 ] - [ 0.0001498700000000, -0.0003912400000000, -0.0000114700000000 ] - [ -0.0004404100000000, 0.0005128400000000, 0.0000036200000000 ] - [ 0.0001395800000000, -0.0003390700000000, -0.0001456900000000 ] - [ -0.0003084100000000, 0.0003142500000000, 0.0001053700000000 ] - [ -0.0025253500000000, -0.0035025200000000, -0.0022800300000000 ] - [ 0.0109120500000000, -0.0050893600000000, 0.0078180200000000 ] - [ -0.0004412800000000, -0.0009030900000000, 0.0007943900000000 ] - [ 0.0001220300000000, 0.0007910700000000, -0.0011387400000000 ] - [ 0.0006750900000000, -0.0013245300000000, 0.0003198500000000 ] - [ -0.0061657300000000, 0.0011579800000000, -0.0083584500000000 ] - [ 0.0005349600000000, -0.0013815700000000, -0.0008531900000000 ] - [ -0.0000739600000000, 0.0016296200000000, 0.0019178800000000 ] - [ 0.0037769100000000, -0.0044829400000000, -0.0010762700000000 ] - [ -0.0147770000000000, -0.0151424500000000, 0.0056398100000000 ] - [ 0.0007756600000000, -0.0006029400000000, 0.0004775900000000 ] - [ 0.0000560900000000, -0.0001714200000000, -0.0008423000000000 ] - [ 0.0734425900000000, 0.1103572300000000, 0.0116384000000000 ] - [ -0.0000020400000000, -0.0037972600000000, 0.0000556700000000 ] - [ 0.0004937500000000, 0.0013239700000000, 0.0000591200000000 ] - [ 0.0000673500000000, -0.0009552300000000, 0.0000186400000000 ] - [ 0.0011515500000000, 0.0004547700000000, 0.0003950100000000 ] - [ -0.0009714700000000, -0.0010756000000000, -0.0005100100000000 ] - [ 0.0014248600000000, 0.0004537500000000, -0.0006378700000000 ] - [ -0.0018086000000000, -0.0010802200000000, 0.0019613400000000 ] - [ 0.0009572400000000, 0.0041140000000000, 0.0002333100000000 ] - [ 0.0005539200000000, -0.0020043700000000, 0.0000933000000000 ] - [ -0.0002743500000000, 0.0007204800000000, -0.0000347300000000 ] - [ 0.0003034100000000, -0.0006670100000000, -0.0000116300000000 ] - [ 0.0002047100000000, -0.0011126700000000, 0.0050785100000000 ] - [ 0.0003620200000000, -0.0017174300000000, -0.0012938600000000 ] - [ -0.0002544900000000, -0.0011124200000000, -0.0048642200000000 ] - [ 0.0009210900000000, -0.0017183600000000, 0.0019711100000000 ] - [ -0.0081670100000000, 0.0013991000000000, 0.0053563500000000 ] - [ 0.0005703200000000, -0.0027101300000000, -0.0002591200000000 ] - [ -0.0001313600000000, 0.0013767600000000, -0.0009814200000000 ] - [ 0.0003289800000000, -0.0010113200000000, 0.0002884000000000 ] - [ 0.0000909500000000, 0.0004300600000000, -0.0000209900000000 ] - [ -0.0004322800000000, -0.0006277700000000, 0.0000302300000000 ] - [ -0.0000957300000000, 0.0004351700000000, -0.0000488000000000 ] - [ -0.0002151200000000, -0.0004142500000000, -0.0001494500000000 ] - [ -0.0100227600000000, 0.0006408200000000, -0.0059806100000000 ] - [ 0.0005731400000000, -0.0028181400000000, 0.0001043300000000 ] - [ -0.0002457400000000, 0.0012363800000000, 0.0008619100000000 ] - [ 0.0002659100000000, -0.0010158300000000, -0.0002892200000000 ] - [ -0.0000022800000000, 0.0005474200000000, 0.0000873700000000 ] - [ -0.0004590900000000, -0.0006229900000000, -0.0002078100000000 ] - [ 0.0000428200000000, 0.0004456600000000, -0.0001764300000000 ] - [ -0.0003445700000000, -0.0004323000000000, 0.0001555000000000 ] - [ -0.0006473500000000, 0.0005404500000000, -0.0000012700000000 ] - [ 0.0002429900000000, -0.0004734100000000, -0.0000809300000000 ] - [ -0.0003283200000000, 0.0003678900000000, 0.0000839400000000 ] - [ 0.0000585800000000, -0.0003002100000000, -0.0002068900000000 ] - [ -0.0002186500000000, 0.0004603400000000, -0.0000687400000000 ] - [ -0.0001958600000000, -0.0005751200000000, 0.0000327600000000 ] - [ -0.0001163500000000, 0.0004350000000000, -0.0001411000000000 ] - [ -0.0001865600000000, -0.0005917700000000, -0.0000085300000000 ] - [ -0.0003338300000000, 0.0000106500000000, 0.0000512200000000 ] - [ -0.0000446300000000, -0.0000171500000000, 0.0000079800000000 ] - [ -0.0003238400000000, -0.0000184600000000, -0.0000233400000000 ] - [ -0.0000164500000000, 0.0000123200000000, 0.0000629100000000 ] - [ -0.0007914300000000, -0.0012529400000000, 0.0000227300000000 ] - [ 0.0006245700000000, 0.0019475800000000, 0.0000514300000000 ] - [ -0.0003334700000000, -0.0005915000000000, 0.0000765300000000 ] - [ 0.0000076400000000, 0.0005381700000000, 0.0000217300000000 ] - [ -0.0013373700000000, -0.0003211100000000, 0.0008033200000000 ] - [ 0.0014632500000000, -0.0004065300000000, -0.0008257600000000 ] - [ -0.0012693900000000, -0.0004138200000000, -0.0007254900000000 ] - [ 0.0014169900000000, -0.0003137300000000, 0.0009183400000000 ] - [ -0.0002032700000000, -0.0003295400000000, 0.0000368000000000 ] - [ -0.0002298400000000, 0.0003363400000000, 0.0000319400000000 ] - [ -0.0001406100000000, -0.0002500100000000, 0.0000360200000000 ] - [ -0.0002198200000000, 0.0002451600000000, 0.0000114800000000 ] - [ -0.0001552400000000, -0.0007085600000000, -0.0000673700000000 ] - [ 0.0000281300000000, 0.0007840700000000, -0.0000022300000000 ] - [ 0.0003005400000000, -0.0005084000000000, 0.0000997000000000 ] - [ -0.0000165000000000, 0.0005416600000000, 0.0000178800000000 ] - [ -0.0004036900000000, -0.0001410000000000, -0.0000183700000000 ] - [ 0.0007763600000000, 0.0001002400000000, 0.0002073900000000 ] - [ -0.0005839600000000, -0.0000610300000000, 0.0001007400000000 ] - [ 0.0011098000000000, 0.0000058200000000, -0.0001015800000000 ] - [ -0.0008115400000000, 0.0041454800000000, -0.0009817200000000 ] - [ -0.0459800800000000, -0.0442166700000000, -0.0104148800000000 ] - [ -0.0002581500000000, 0.0011625900000000, 0.0002819400000000 ] - [ -0.0003694200000000, -0.0012541700000000, -0.0002465700000000 ] - [ -0.0028034500000000, 0.0017047500000000, 0.0031610800000000 ] - [ 0.0004490400000000, 0.0013136800000000, -0.0075653300000000 ] - [ -0.0026757100000000, 0.0010952000000000, -0.0012224700000000 ] - [ 0.0003250400000000, 0.0026948100000000, 0.0022595800000000 ] - [ 0.0018633600000000, 0.0006952200000000, -0.0030179900000000 ] - [ -0.0007136800000000, 0.0028576900000000, 0.0027690000000000 ] - [ 0.0018221800000000, 0.0009886100000000, 0.0033032600000000 ] - [ -0.0008762300000000, 0.0028976100000000, -0.0029481400000000 ] - [ -0.0042628500000000, -0.0195548100000000, 0.0000816600000000 ] - [ 0.0004289800000000, 0.0045323800000000, 0.0001590700000000 ] - [ -0.0002627100000000, -0.0020067100000000, 0.0000140400000000 ] - [ 0.0000025700000000, 0.0016395900000000, 0.0000089700000000 ] - [ 0.0009237500000000, -0.0003922100000000, 0.0001313600000000 ] - [ -0.0003661700000000, 0.0004703100000000, 0.0000549700000000 ] - [ 0.0008469600000000, -0.0004490500000000, -0.0001203600000000 ] - [ -0.0003290700000000, 0.0004750600000000, 0.0000386200000000 ] - [ 0.0001911100000000, -0.0007403500000000, 0.0000242900000000 ] - [ 0.0004905900000000, 0.0006894700000000, -0.0000052700000000 ] - [ 0.0001329900000000, -0.0004283700000000, 0.0000368700000000 ] - [ 0.0003158600000000, 0.0004659200000000, -0.0000040200000000 ] - [ -0.0002233700000000, -0.0088708900000000, -0.0001841500000000 ] - [ -0.0002552000000000, 0.0027609700000000, 0.0003810400000000 ] - [ -0.0010407000000000, -0.0077080900000000, 0.0012469500000000 ] - [ -0.0002960400000000, 0.0025158000000000, -0.0003670200000000 ] - [ -0.0024970900000000, -0.0002250200000000, -0.0003483300000000 ] - [ 0.0033291300000000, 0.0013920100000000, 0.0009450000000000 ] - [ -0.0005087800000000, -0.0003573000000000, 0.0001211700000000 ] - [ 0.0004404400000000, 0.0002919300000000, -0.0001581100000000 ] - [ -0.0012187500000000, -0.0218912200000000, 0.0008672000000000 ] - [ -0.0038782600000000, 0.0124567100000000, 0.0008115200000000 ] - [ 0.0002529200000000, -0.0003708200000000, 0.0001039400000000 ] - [ -0.0004153700000000, 0.0004612800000000, -0.0001137800000000 ] - [ 0.0004203400000000, -0.0015690900000000, -0.0000550500000000 ] - [ -0.0003104400000000, 0.0014226300000000, 0.0000506700000000 ] - [ 0.0011366000000000, -0.0014893300000000, 0.0001791100000000 ] - [ -0.0003165600000000, 0.0009822100000000, -0.0000090500000000 ] - [ 0.0001803600000000, 0.0000141100000000, -0.0000525000000000 ] - [ 0.0003656900000000, 0.0000098300000000, 0.0000169300000000 ] - [ 0.0001714400000000, -0.0000156500000000, 0.0000303500000000 ] - [ 0.0002127800000000, 0.0000376900000000, -0.0000080600000000 ] - [ 0.0004739500000000, 0.0014659300000000, 0.0003114400000000 ] - [ -0.0004509600000000, -0.0029016100000000, -0.0002483800000000 ] - [ 0.0004870900000000, 0.0014181300000000, -0.0002925000000000 ] - [ -0.0004100500000000, -0.0026807500000000, 0.0002460600000000 ] - [ 0.0001696800000000, 0.0003967100000000, 0.0000022900000000 ] - [ 0.0002450100000000, -0.0004236000000000, -0.0000127500000000 ] - [ 0.0001797300000000, 0.0003459200000000, 0.0000160300000000 ] - [ 0.0003169100000000, -0.0003667200000000, 0.0000099900000000 ] - [ 0.0029466100000000, 0.0008233000000000, -0.0000486600000000 ] - [ -0.0023407100000000, 0.0014254400000000, 0.0000494400000000 ] - [ 0.0004343600000000, -0.0000924900000000, 0.0000423100000000 ] - [ -0.0002202100000000, 0.0002090100000000, -0.0000325400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001345000000000, 0.0000995500000000, -0.0002894200000000 ] - [ -0.0001503700000000, 0.0001339900000000, -0.0003680400000000 ] - [ 0.0002136200000000, -0.0001096900000000, 0.0002622200000000 ] - [ 0.0004002400000000, 0.0000798600000000, 0.0004217300000000 ] - [ -0.0000345700000000, -0.0009346400000000, -0.0012417900000000 ] - [ -0.0081087400000000, 0.0073808600000000, 0.0015735500000000 ] - [ 0.0005338900000000, 0.0008406700000000, 0.0009672500000000 ] - [ 0.0014477800000000, -0.0016614100000000, 0.0026558900000000 ] - [ 0.0001692000000000, -0.0001622100000000, -0.0003922600000000 ] - [ 0.0003678000000000, -0.0000193000000000, -0.0006365900000000 ] - [ -0.0001180300000000, 0.0001042100000000, 0.0002917100000000 ] - [ -0.0001629400000000, -0.0000202600000000, 0.0003489600000000 ] - [ -0.0000736900000000, 0.0009162200000000, -0.0013928200000000 ] - [ 0.0085820200000000, -0.0079075700000000, 0.0009561900000000 ] - [ -0.0005776300000000, -0.0006517700000000, 0.0010417800000000 ] - [ -0.0010165400000000, 0.0009190800000000, 0.0024543300000000 ] - [ 0.0004751000000000, -0.0006594900000000, -0.0006810000000000 ] - [ 0.0124728700000000, 0.0099078400000000, 0.0118638400000000 ] - [ -0.0006704400000000, 0.0008722000000000, 0.0004982300000000 ] - [ -0.0025664600000000, -0.0016146900000000, 0.0036233400000000 ] - [ -0.0003692000000000, 0.0008215900000000, -0.0017625500000000 ] - [ -0.0038638200000000, -0.0054343100000000, -0.0050798700000000 ] - [ 0.0003181600000000, -0.0004505100000000, 0.0014123200000000 ] - [ -0.0000995900000000, 0.0002386200000000, 0.0028622100000000 ] - [ -0.0344710400000000, -0.0114189700000000, -0.0601726800000000 ] - [ 0.0001171200000000, 0.0000001500000000, -0.0007725700000000 ] - [ -0.0000256000000000, -0.0000041000000000, 0.0043622400000000 ] - [ -0.0000525200000000, 0.0000370700000000, 0.0008121500000000 ] - [ 0.0011747800000000, -0.0006942500000000, 0.0001955800000000 ] - [ 0.0015447900000000, 0.0018976100000000, 0.0002214100000000 ] - [ -0.0012718700000000, 0.0003414600000000, 0.0001909900000000 ] - [ -0.0009067400000000, -0.0005649000000000, 0.0002129500000000 ] - [ -0.0005491500000000, -0.0001779800000000, -0.0035575500000000 ] - [ -0.0001725400000000, -0.0000390100000000, -0.0004668500000000 ] - [ -0.0001933400000000, 0.0000926500000000, 0.0013908000000000 ] - [ -0.0000418700000000, 0.0000695400000000, 0.0005202200000000 ] - [ -0.0003639700000000, -0.0049150500000000, 0.0036790900000000 ] - [ -0.0005518100000000, 0.0019109500000000, 0.0005259300000000 ] - [ 0.0001867400000000, 0.0050704600000000, 0.0036905800000000 ] - [ -0.0000948400000000, -0.0013487300000000, 0.0005151500000000 ] - [ -0.0105556400000000, -0.0058928800000000, 0.0016991200000000 ] - [ -0.0001638900000000, 0.0010036100000000, -0.0008462900000000 ] - [ 0.0016979700000000, 0.0009142600000000, 0.0027119000000000 ] - [ 0.0001558700000000, -0.0003904200000000, 0.0006344400000000 ] - [ -0.0001329700000000, -0.0000994300000000, -0.0003887800000000 ] - [ -0.0001887900000000, -0.0000957100000000, -0.0002105900000000 ] - [ 0.0003325700000000, -0.0001306600000000, 0.0004180600000000 ] - [ 0.0002183800000000, 0.0001326400000000, 0.0002360400000000 ] - [ 0.0113561800000000, 0.0063782000000000, 0.0010722900000000 ] - [ 0.0001835800000000, -0.0011100600000000, -0.0007805300000000 ] - [ -0.0010258100000000, -0.0004525600000000, 0.0025772000000000 ] - [ -0.0002089100000000, 0.0003423700000000, 0.0006578200000000 ] - [ 0.0001283700000000, 0.0000317300000000, -0.0005985700000000 ] - [ 0.0000921700000000, 0.0001138200000000, -0.0004386500000000 ] - [ -0.0001542800000000, -0.0000254900000000, 0.0003399100000000 ] - [ -0.0000949400000000, -0.0000237600000000, 0.0002505100000000 ] - [ 0.0002097400000000, -0.0000099700000000, -0.0005202400000000 ] - [ 0.0000711800000000, -0.0000192800000000, -0.0003882400000000 ] - [ -0.0000185500000000, 0.0001397000000000, 0.0003848200000000 ] - [ -0.0000110700000000, 0.0001504200000000, 0.0003538700000000 ] - [ -0.0004412100000000, -0.0000211800000000, -0.0003159100000000 ] - [ -0.0001549700000000, 0.0000709000000000, -0.0002267300000000 ] - [ 0.0005384400000000, -0.0000357700000000, 0.0002339800000000 ] - [ 0.0002375300000000, -0.0001911700000000, 0.0001171000000000 ] - [ -0.0001344700000000, -0.0000092200000000, 0.0000296200000000 ] - [ -0.0000777400000000, 0.0000771300000000, 0.0000303400000000 ] - [ 0.0002441000000000, 0.0000469600000000, 0.0000284100000000 ] - [ 0.0002206000000000, 0.0000028200000000, 0.0000271400000000 ] - [ 0.0000476700000000, -0.0000329900000000, -0.0004655200000000 ] - [ 0.0001333800000000, -0.0000020100000000, -0.0019518000000000 ] - [ 0.0000079200000000, 0.0000240100000000, 0.0005799100000000 ] - [ 0.0000790600000000, -0.0000332100000000, 0.0011688100000000 ] - [ -0.0011294200000000, -0.0008642900000000, 0.0004934700000000 ] - [ -0.0014358600000000, 0.0007818600000000, 0.0004810100000000 ] - [ 0.0011309200000000, 0.0008811200000000, 0.0004747400000000 ] - [ 0.0014477600000000, -0.0007495300000000, 0.0004875100000000 ] - [ 0.0000142700000000, -0.0000176400000000, -0.0001719200000000 ] - [ 0.0000367400000000, -0.0000223800000000, -0.0002325700000000 ] - [ 0.0000829500000000, -0.0000173300000000, 0.0002527000000000 ] - [ 0.0001415400000000, -0.0000415000000000, 0.0003232900000000 ] - [ 0.0001582500000000, 0.0000837600000000, 0.0004561500000000 ] - [ 0.0001198300000000, 0.0000238800000000, 0.0004769800000000 ] - [ -0.0000777900000000, 0.0000179800000000, -0.0006307200000000 ] - [ -0.0000495300000000, -0.0000358400000000, -0.0004385900000000 ] - [ -0.0007065800000000, 0.0001844200000000, 0.0001276600000000 ] - [ -0.0008605100000000, -0.0001136600000000, 0.0001177900000000 ] - [ 0.0005837500000000, -0.0000469900000000, 0.0000251000000000 ] - [ 0.0004280700000000, 0.0000016900000000, -0.0000227500000000 ] - [ -0.0000725400000000, -0.0001017700000000, 0.0012811600000000 ] - [ 0.0216466300000000, 0.0100161500000000, 0.0282830100000000 ] - [ 0.0001508200000000, 0.0000685900000000, -0.0011327800000000 ] - [ 0.0002554600000000, 0.0000548600000000, -0.0040642200000000 ] - [ 0.0029815200000000, -0.0028250000000000, 0.0001525300000000 ] - [ 0.0016390000000000, 0.0029556100000000, -0.0008964700000000 ] - [ -0.0024243400000000, 0.0020737100000000, -0.0012083500000000 ] - [ 0.0001489600000000, -0.0056836200000000, -0.0030343000000000 ] - [ 0.0018012100000000, 0.0031170400000000, -0.0020082100000000 ] - [ 0.0007301300000000, -0.0026616000000000, -0.0019494600000000 ] - [ -0.0018933600000000, -0.0034120100000000, -0.0015726700000000 ] - [ -0.0005683300000000, 0.0028871200000000, -0.0016892900000000 ] - [ 0.0012406300000000, -0.0002850700000000, 0.0204402200000000 ] - [ -0.0000763400000000, 0.0000494700000000, 0.0017854500000000 ] - [ -0.0000768000000000, 0.0000419000000000, -0.0040754500000000 ] - [ 0.0000417500000000, -0.0000422800000000, -0.0014526100000000 ] - [ -0.0008015100000000, 0.0000731300000000, 0.0002622800000000 ] - [ -0.0006253000000000, 0.0002811100000000, 0.0003289900000000 ] - [ 0.0005854000000000, -0.0001266500000000, -0.0003256100000000 ] - [ 0.0004419200000000, -0.0002726800000000, -0.0002143200000000 ] - [ 0.0000316800000000, -0.0000009500000000, 0.0005997000000000 ] - [ -0.0000225800000000, 0.0000277600000000, 0.0003535800000000 ] - [ -0.0001536700000000, -0.0000020100000000, -0.0005341000000000 ] - [ -0.0000939000000000, -0.0000354000000000, -0.0003523000000000 ] - [ -0.0025651100000000, 0.0011418100000000, -0.0034717500000000 ] - [ -0.0000944400000000, -0.0002562500000000, 0.0000043700000000 ] - [ 0.0055342700000000, -0.0005768200000000, -0.0132925700000000 ] - [ 0.0002296600000000, 0.0001879700000000, -0.0000458600000000 ] - [ 0.0000081000000000, 0.0000956900000000, 0.0010499100000000 ] - [ 0.0004041800000000, -0.0001578800000000, 0.0012986700000000 ] - [ -0.0000171300000000, -0.0000197100000000, -0.0008491200000000 ] - [ -0.0001248900000000, -0.0000224600000000, -0.0009709000000000 ] - [ -0.0001430500000000, -0.0004169200000000, 0.0090480700000000 ] - [ -0.0002254900000000, -0.0006500900000000, 0.0043960200000000 ] - [ 0.0001624300000000, -0.0002066300000000, -0.0032718500000000 ] - [ 0.0003098000000000, 0.0000991800000000, -0.0018728200000000 ] - [ 0.0020008800000000, -0.0000743700000000, -0.0001588500000000 ] - [ 0.0003425600000000, 0.0000502400000000, -0.0000334700000000 ] - [ -0.0030965200000000, 0.0009857600000000, -0.0006015000000000 ] - [ -0.0003837200000000, -0.0001985700000000, 0.0000346900000000 ] - [ -0.0000107200000000, 0.0000297100000000, 0.0003138200000000 ] - [ 0.0000093900000000, -0.0000368600000000, 0.0003166100000000 ] - [ -0.0000372200000000, 0.0000399600000000, -0.0003226300000000 ] - [ -0.0000595700000000, 0.0000138500000000, -0.0003190500000000 ] - [ -0.0003353700000000, -0.0001589700000000, 0.0000129600000000 ] - [ -0.0026938400000000, 0.0003440600000000, -0.0009260200000000 ] - [ 0.0002253900000000, 0.0001136800000000, -0.0000597100000000 ] - [ 0.0022011600000000, -0.0003531400000000, -0.0011616200000000 ] - [ -0.0000027300000000, -0.0000370700000000, 0.0000089500000000 ] - [ -0.0000276100000000, 0.0000079700000000, 0.0000439700000000 ] - [ -0.0000122000000000, -0.0000061100000000, 0.0000155100000000 ] - [ -0.0001113300000000, -0.0000221800000000, -0.0000059900000000 ] - [ 0.0000538100000000, 0.0000434500000000, 0.0025949300000000 ] - [ 0.0000580000000000, -0.0000579800000000, 0.0024763700000000 ] - [ -0.0001608800000000, -0.0000881400000000, -0.0013351200000000 ] - [ -0.0001623900000000, 0.0001253100000000, -0.0012687300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001759700000000, -0.0000532200000000, 0.0002112400000000 ] - [ 0.0001959600000000, -0.0000840700000000, 0.0002889600000000 ] - [ -0.0001732700000000, 0.0001571500000000, -0.0003348300000000 ] - [ -0.0003603900000000, -0.0000340400000000, -0.0004928100000000 ] - [ -0.0000148000000000, 0.0008781700000000, 0.0011806300000000 ] - [ 0.0080907000000000, -0.0074407100000000, -0.0016086100000000 ] - [ -0.0005681300000000, -0.0008790300000000, -0.0010457200000000 ] - [ -0.0014629600000000, 0.0015830500000000, -0.0027254800000000 ] - [ -0.0001280100000000, 0.0001142300000000, 0.0003215800000000 ] - [ -0.0003250300000000, -0.0000260100000000, 0.0005699300000000 ] - [ 0.0001585000000000, -0.0001516800000000, -0.0003651200000000 ] - [ 0.0002036900000000, -0.0000282300000000, -0.0004264300000000 ] - [ 0.0000274200000000, -0.0008751600000000, 0.0013027200000000 ] - [ -0.0085980900000000, 0.0079384400000000, -0.0010854400000000 ] - [ 0.0005412500000000, 0.0007042500000000, -0.0011112200000000 ] - [ 0.0009920000000000, -0.0008892600000000, -0.0025226000000000 ] - [ -0.0004769800000000, 0.0007649400000000, 0.0005882400000000 ] - [ -0.0126079800000000, -0.0098901800000000, -0.0120481900000000 ] - [ 0.0006666800000000, -0.0007673800000000, -0.0005999400000000 ] - [ 0.0025331900000000, 0.0016935900000000, -0.0037141500000000 ] - [ 0.0003770400000000, -0.0009288700000000, 0.0016522700000000 ] - [ 0.0039090200000000, 0.0053869100000000, 0.0049322400000000 ] - [ -0.0003258900000000, 0.0003536700000000, -0.0015104200000000 ] - [ 0.0000973800000000, -0.0003474700000000, -0.0029576100000000 ] - [ 0.0340356000000000, 0.0114963000000000, 0.0595702800000000 ] - [ -0.0001033900000000, 0.0000438500000000, 0.0008448000000000 ] - [ 0.0000301900000000, 0.0000465200000000, -0.0042843600000000 ] - [ 0.0000653800000000, 0.0000057300000000, -0.0007394800000000 ] - [ -0.0011903400000000, 0.0006547600000000, -0.0001185200000000 ] - [ -0.0015616100000000, -0.0019452600000000, -0.0001455200000000 ] - [ 0.0012536200000000, -0.0003805200000000, -0.0001230200000000 ] - [ 0.0008965500000000, 0.0005228600000000, -0.0001539100000000 ] - [ 0.0005657000000000, 0.0002188900000000, 0.0036316700000000 ] - [ 0.0001637200000000, 0.0000818100000000, 0.0005404800000000 ] - [ 0.0001699100000000, -0.0000471500000000, -0.0013155600000000 ] - [ 0.0000254900000000, -0.0000258100000000, -0.0004468300000000 ] - [ 0.0003826600000000, 0.0049158300000000, -0.0036156700000000 ] - [ 0.0005693700000000, -0.0019579100000000, -0.0004454400000000 ] - [ -0.0001687300000000, -0.0050574800000000, -0.0036044000000000 ] - [ 0.0001053200000000, 0.0013014700000000, -0.0004560800000000 ] - [ 0.0106322600000000, 0.0059523800000000, -0.0017354800000000 ] - [ 0.0001994000000000, -0.0009541500000000, 0.0007776400000000 ] - [ -0.0016319800000000, -0.0008488100000000, -0.0027839600000000 ] - [ -0.0001154000000000, 0.0004351300000000, -0.0007108900000000 ] - [ 0.0000972800000000, 0.0000492300000000, 0.0003078800000000 ] - [ 0.0001498000000000, 0.0000505600000000, 0.0001330200000000 ] - [ -0.0003730500000000, 0.0000855400000000, -0.0004933300000000 ] - [ -0.0002567200000000, -0.0001807300000000, -0.0003098000000000 ] - [ -0.0112756100000000, -0.0064092200000000, -0.0011946400000000 ] - [ -0.0001457300000000, 0.0010643100000000, 0.0007031800000000 ] - [ 0.0010818600000000, 0.0004143000000000, -0.0026403100000000 ] - [ 0.0002479400000000, -0.0003906800000000, -0.0007294000000000 ] - [ -0.0001627800000000, 0.0000140900000000, 0.0005306500000000 ] - [ -0.0001307000000000, -0.0000646300000000, 0.0003669900000000 ] - [ 0.0001135000000000, 0.0000736000000000, -0.0004152000000000 ] - [ 0.0000573900000000, 0.0000714000000000, -0.0003262800000000 ] - [ -0.0002118400000000, 0.0001133400000000, 0.0004189000000000 ] - [ -0.0000709500000000, 0.0001209500000000, 0.0002880600000000 ] - [ 0.0000216000000000, -0.0000408900000000, -0.0004795700000000 ] - [ 0.0000118900000000, -0.0000495100000000, -0.0004505600000000 ] - [ 0.0004368300000000, -0.0000819000000000, 0.0002177900000000 ] - [ 0.0001556200000000, -0.0001738000000000, 0.0001279500000000 ] - [ -0.0005367800000000, -0.0000651100000000, -0.0003349900000000 ] - [ -0.0002376800000000, 0.0000886300000000, -0.0002174100000000 ] - [ 0.0001453100000000, 0.0000498000000000, 0.0000435500000000 ] - [ 0.0000881400000000, -0.0000381000000000, 0.0000436900000000 ] - [ -0.0002340600000000, -0.0000064300000000, 0.0000423100000000 ] - [ -0.0002121800000000, 0.0000360900000000, 0.0000413900000000 ] - [ -0.0000596600000000, -0.0000075900000000, 0.0005385700000000 ] - [ -0.0001499300000000, -0.0000361000000000, 0.0020212000000000 ] - [ -0.0000158500000000, -0.0000625800000000, -0.0005073600000000 ] - [ -0.0000817400000000, -0.0000070700000000, -0.0010927200000000 ] - [ 0.0011171700000000, 0.0009024800000000, -0.0004155500000000 ] - [ 0.0014231800000000, -0.0007379900000000, -0.0004037400000000 ] - [ -0.0011385600000000, -0.0008413300000000, -0.0004095200000000 ] - [ -0.0014583600000000, 0.0007893100000000, -0.0004199200000000 ] - [ -0.0000030500000000, -0.0000234400000000, 0.0002435800000000 ] - [ -0.0000257400000000, -0.0000193000000000, 0.0003042200000000 ] - [ -0.0000758500000000, -0.0000195600000000, -0.0001821000000000 ] - [ -0.0001317400000000, 0.0000036100000000, -0.0002517700000000 ] - [ -0.0001788700000000, -0.0000850200000000, -0.0003956700000000 ] - [ -0.0001217400000000, -0.0000260300000000, -0.0004145900000000 ] - [ 0.0000833000000000, -0.0000165700000000, 0.0006950600000000 ] - [ 0.0000514400000000, 0.0000405500000000, 0.0005022200000000 ] - [ 0.0007086000000000, -0.0001850200000000, -0.0000673800000000 ] - [ 0.0008625700000000, 0.0001125800000000, -0.0000609300000000 ] - [ -0.0005808000000000, 0.0000467500000000, 0.0000406700000000 ] - [ -0.0004292300000000, -0.0000041100000000, 0.0000910700000000 ] - [ 0.0000675000000000, 0.0000994300000000, -0.0012734400000000 ] - [ -0.0215031900000000, -0.0099228500000000, -0.0279110500000000 ] - [ -0.0001485500000000, -0.0000767000000000, 0.0011474600000000 ] - [ -0.0002360800000000, -0.0000537300000000, 0.0040708100000000 ] - [ -0.0029647400000000, 0.0028128300000000, -0.0001228300000000 ] - [ -0.0016255300000000, -0.0029281700000000, 0.0009559500000000 ] - [ 0.0024326500000000, -0.0020769900000000, 0.0012172400000000 ] - [ -0.0001524400000000, 0.0056972000000000, 0.0030397100000000 ] - [ -0.0018145400000000, -0.0031166700000000, 0.0020452800000000 ] - [ -0.0007347000000000, 0.0026564300000000, 0.0019883000000000 ] - [ 0.0018727400000000, 0.0034040400000000, 0.0016655200000000 ] - [ 0.0005638700000000, -0.0028844700000000, 0.0017779700000000 ] - [ -0.0010952300000000, 0.0002754900000000, -0.0203669300000000 ] - [ 0.0000807200000000, -0.0000443300000000, -0.0017214700000000 ] - [ 0.0000533900000000, -0.0000404700000000, 0.0041255300000000 ] - [ -0.0000432300000000, 0.0000414500000000, 0.0015148500000000 ] - [ 0.0007990500000000, -0.0000760500000000, -0.0002432500000000 ] - [ 0.0006267100000000, -0.0002831100000000, -0.0003124000000000 ] - [ -0.0005861900000000, 0.0001226100000000, 0.0003365000000000 ] - [ -0.0004407000000000, 0.0002701200000000, 0.0002276200000000 ] - [ -0.0000308500000000, 0.0000040600000000, -0.0005866300000000 ] - [ 0.0000227200000000, -0.0000236400000000, -0.0003384200000000 ] - [ 0.0001505700000000, 0.0000058200000000, 0.0005512700000000 ] - [ 0.0000947600000000, 0.0000375000000000, 0.0003688700000000 ] - [ 0.0027217500000000, -0.0011464000000000, 0.0040799000000000 ] - [ 0.0001532400000000, 0.0002827800000000, 0.0000153400000000 ] - [ -0.0054800900000000, 0.0005978100000000, 0.0131412700000000 ] - [ -0.0001707500000000, -0.0001607200000000, 0.0000501700000000 ] - [ -0.0000745000000000, -0.0001169100000000, -0.0010383100000000 ] - [ -0.0004775100000000, 0.0001217000000000, -0.0012938900000000 ] - [ -0.0000391600000000, -0.0000131300000000, 0.0008617300000000 ] - [ 0.0000688900000000, -0.0000037600000000, 0.0009849400000000 ] - [ 0.0001919000000000, 0.0003282800000000, -0.0090194900000000 ] - [ 0.0003001700000000, 0.0005722400000000, -0.0043885100000000 ] - [ -0.0001042700000000, 0.0001636200000000, 0.0032785900000000 ] - [ -0.0002479700000000, -0.0001172600000000, 0.0018824100000000 ] - [ -0.0020504000000000, 0.0001061000000000, 0.0001843900000000 ] - [ -0.0004035000000000, -0.0000215100000000, 0.0000495300000000 ] - [ 0.0030429700000000, -0.0009573600000000, 0.0006048500000000 ] - [ 0.0003229700000000, 0.0002294200000000, -0.0000254800000000 ] - [ 0.0000719400000000, 0.0000015100000000, -0.0003029500000000 ] - [ 0.0000507600000000, 0.0000662400000000, -0.0003061800000000 ] - [ 0.0000968800000000, -0.0000100700000000, 0.0003342600000000 ] - [ 0.0001202100000000, 0.0000162200000000, 0.0003303700000000 ] - [ 0.0002736500000000, 0.0001283300000000, 0.0000040600000000 ] - [ 0.0026234800000000, -0.0003733700000000, 0.0009516400000000 ] - [ -0.0002860300000000, -0.0001431700000000, 0.0000666700000000 ] - [ -0.0022659800000000, 0.0003225400000000, 0.0011618700000000 ] - [ 0.0000647900000000, 0.0000071000000000, 0.0000035000000000 ] - [ 0.0000871000000000, -0.0000386000000000, -0.0000299400000000 ] - [ 0.0000742600000000, -0.0000234300000000, -0.0000061000000000 ] - [ 0.0001717800000000, -0.0000074500000000, 0.0000150600000000 ] - [ -0.0001060000000000, -0.0000073500000000, -0.0025822900000000 ] - [ -0.0001123700000000, 0.0000836500000000, -0.0024624000000000 ] - [ 0.0000937900000000, 0.0001118400000000, 0.0013454400000000 ] - [ 0.0000940800000000, -0.0000906500000000, 0.0012788600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024074200000000, 0.0004553300000000, -0.0005730400000000 ] - [ 0.0217745100000000, -0.0010700100000000, 0.0013249700000000 ] - [ 0.0012670400000000, -0.0000473200000000, 0.0000691400000000 ] - [ 0.0021982300000000, 0.0001178800000000, 0.0006586700000000 ] - [ -0.0014103400000000, -0.0000048500000000, -0.0000344400000000 ] - [ -0.0027992200000000, 0.0000286300000000, 0.0000204500000000 ] - [ -0.0010201800000000, -0.0000360900000000, -0.0000640000000000 ] - [ -0.0013630400000000, -0.0000299700000000, -0.0000621200000000 ] - [ 0.0024956500000000, 0.0002663700000000, 0.0005296000000000 ] - [ 0.0218088000000000, -0.0013602800000000, -0.0015457700000000 ] - [ 0.0012715400000000, -0.0001171700000000, -0.0001373600000000 ] - [ 0.0025325700000000, 0.0000673000000000, -0.0006962300000000 ] - [ -0.0013912900000000, 0.0000337200000000, -0.0000557800000000 ] - [ -0.0027370700000000, 0.0001103200000000, -0.0000978100000000 ] - [ -0.0010053600000000, 0.0000124600000000, -0.0000118100000000 ] - [ -0.0014132400000000, 0.0000224100000000, -0.0000363200000000 ] - [ -0.0001999600000000, -0.0004595600000000, 0.0003824800000000 ] - [ -0.0040461600000000, 0.0037428100000000, 0.0067682800000000 ] - [ -0.0001607500000000, -0.0005192700000000, -0.0006501000000000 ] - [ -0.0010156300000000, 0.0007147300000000, -0.0025541600000000 ] - [ -0.0012117500000000, -0.0025937000000000, -0.0005745300000000 ] - [ -0.0043132700000000, 0.0070840400000000, -0.0022516900000000 ] - [ -0.0001895100000000, -0.0003117700000000, 0.0002919700000000 ] - [ -0.0000596500000000, 0.0007229600000000, 0.0005270600000000 ] - [ -0.0094171400000000, 0.0001586300000000, 0.0002017000000000 ] - [ -0.0012851700000000, -0.0000072500000000, 0.0001549400000000 ] - [ -0.0012591000000000, -0.0002862100000000, -0.0000459000000000 ] - [ -0.0006582600000000, 0.0000344900000000, -0.0000153100000000 ] - [ 0.0029965100000000, -0.0018517500000000, 0.0019222200000000 ] - [ 0.0019297700000000, 0.0008577400000000, 0.0005980500000000 ] - [ 0.0029373300000000, -0.0018932700000000, -0.0017754700000000 ] - [ 0.0019246900000000, 0.0006958400000000, -0.0006952700000000 ] - [ -0.0039675100000000, -0.0042250900000000, -0.0011049000000000 ] - [ 0.0010728200000000, 0.0004548800000000, 0.0001130500000000 ] - [ 0.0009839100000000, -0.0002482100000000, 0.0001000400000000 ] - [ 0.0006868800000000, 0.0000194600000000, -0.0000076800000000 ] - [ -0.0014993500000000, -0.0006038400000000, 0.0006176300000000 ] - [ -0.0016478500000000, 0.0010948800000000, 0.0004644900000000 ] - [ -0.0015877800000000, -0.0004214500000000, -0.0006739000000000 ] - [ -0.0017231700000000, 0.0007623700000000, -0.0008298300000000 ] - [ -0.0027579800000000, 0.0000732500000000, -0.0000926600000000 ] - [ -0.0013703700000000, 0.0000435100000000, -0.0000373600000000 ] - [ -0.0013211000000000, 0.0000169000000000, -0.0000111700000000 ] - [ -0.0009809300000000, 0.0000111900000000, -0.0000090000000000 ] - [ 0.0217715800000000, -0.0013294500000000, -0.0016137400000000 ] - [ 0.0023583700000000, 0.0003866400000000, 0.0004961500000000 ] - [ 0.0021585400000000, 0.0000678100000000, -0.0007563000000000 ] - [ 0.0012250700000000, -0.0000957000000000, -0.0001432500000000 ] - [ -0.0026952900000000, 0.0000630600000000, 0.0000233400000000 ] - [ -0.0013513400000000, -0.0000116400000000, -0.0000167900000000 ] - [ -0.0013717400000000, -0.0000260000000000, -0.0000324900000000 ] - [ -0.0009654600000000, -0.0000332500000000, -0.0000589400000000 ] - [ 0.0218109500000000, -0.0015385700000000, 0.0017059700000000 ] - [ 0.0024463400000000, 0.0002930900000000, -0.0005984200000000 ] - [ 0.0024929600000000, 0.0001077600000000, 0.0006482000000000 ] - [ 0.0012300300000000, -0.0000710200000000, 0.0000691900000000 ] - [ -0.0042847700000000, 0.0071328900000000, 0.0021375400000000 ] - [ -0.0012158200000000, -0.0024977500000000, 0.0004779300000000 ] - [ -0.0000661700000000, 0.0008139600000000, -0.0006224500000000 ] - [ -0.0001928300000000, -0.0002194800000000, -0.0003854500000000 ] - [ -0.0040243800000000, 0.0036322500000000, -0.0068212200000000 ] - [ -0.0002050700000000, -0.0005477900000000, -0.0004766200000000 ] - [ -0.0010195600000000, 0.0006234000000000, 0.0024492900000000 ] - [ -0.0001670100000000, -0.0006097900000000, 0.0005534500000000 ] - [ 0.0019068000000000, 0.0008921400000000, -0.0005326400000000 ] - [ 0.0029766800000000, -0.0018120700000000, -0.0018430300000000 ] - [ 0.0019030200000000, 0.0007306600000000, 0.0007685000000000 ] - [ 0.0029191200000000, -0.0018538700000000, 0.0018384300000000 ] - [ -0.0012904700000000, -0.0000416000000000, -0.0000848600000000 ] - [ -0.0094211400000000, 0.0001325100000000, -0.0001347200000000 ] - [ -0.0006652700000000, 0.0000005400000000, 0.0000853400000000 ] - [ -0.0012643600000000, -0.0003174500000000, 0.0001168100000000 ] - [ -0.0016519700000000, 0.0011207800000000, -0.0003918700000000 ] - [ -0.0015048100000000, -0.0005665900000000, -0.0005461100000000 ] - [ -0.0017265500000000, 0.0007926300000000, 0.0008944200000000 ] - [ -0.0015948100000000, -0.0003881200000000, 0.0007420500000000 ] - [ 0.0010652300000000, 0.0004245700000000, -0.0000439100000000 ] - [ -0.0060099800000000, -0.0044965100000000, 0.0012292100000000 ] - [ 0.0006843800000000, -0.0000128100000000, 0.0000776300000000 ] - [ 0.0009761200000000, -0.0002802500000000, -0.0000304300000000 ] - [ -0.0985128000000000, 0.0010604800000000, -0.0000562600000000 ] - [ -0.0024576700000000, 0.0002689400000000, 0.0000308900000000 ] - [ -0.0028808600000000, 0.0004081100000000, 0.0000321000000000 ] - [ -0.0010242200000000, 0.0001490600000000, 0.0000307100000000 ] - [ -0.0024270900000000, -0.0011639700000000, 0.0009924000000000 ] - [ -0.0024149400000000, -0.0011384000000000, -0.0009027700000000 ] - [ -0.0024269300000000, -0.0010756500000000, -0.0009157900000000 ] - [ -0.0024152100000000, -0.0010503000000000, 0.0009481700000000 ] - [ 0.0003525100000000, 0.0011527600000000, -0.0008046200000000 ] - [ 0.0199318100000000, -0.0101644200000000, -0.0049510600000000 ] - [ 0.0000314600000000, 0.0003550300000000, 0.0002734600000000 ] - [ 0.0004524000000000, 0.0004024000000000, 0.0009358700000000 ] - [ 0.0011575900000000, 0.0017639400000000, 0.0022379700000000 ] - [ 0.0005980600000000, -0.0026861600000000, 0.0037722800000000 ] - [ 0.0010320000000000, 0.0011609200000000, -0.0011203700000000 ] - [ 0.0001334900000000, -0.0034815400000000, -0.0020673600000000 ] - [ 0.0022406700000000, 0.0001013600000000, 0.0000790800000000 ] - [ 0.0022419800000000, 0.0000977700000000, -0.0000184900000000 ] - [ 0.0022407800000000, 0.0000661900000000, 0.0000007800000000 ] - [ 0.0022422600000000, 0.0000657200000000, 0.0000630600000000 ] - [ 0.0080349700000000, -0.0005786100000000, 0.0000323600000000 ] - [ 0.0018999500000000, -0.0001015000000000, 0.0000309900000000 ] - [ 0.0018965900000000, -0.0000436300000000, 0.0000298100000000 ] - [ 0.0010011700000000, -0.0000371600000000, 0.0000312600000000 ] - [ 0.0006087900000000, -0.0026835800000000, -0.0037354600000000 ] - [ 0.0011603900000000, 0.0017501800000000, -0.0022221900000000 ] - [ 0.0001469200000000, -0.0034692600000000, 0.0020679100000000 ] - [ 0.0010351200000000, 0.0011466700000000, 0.0011314100000000 ] - [ 0.0197146400000000, -0.0101405400000000, 0.0049510100000000 ] - [ 0.0003614800000000, 0.0011602800000000, 0.0008156700000000 ] - [ 0.0004600500000000, 0.0004111600000000, -0.0009219400000000 ] - [ 0.0000379800000000, 0.0003640700000000, -0.0002617100000000 ] - [ 0.0029683100000000, 0.0000949300000000, 0.0014601200000000 ] - [ 0.0011426800000000, -0.0001030200000000, 0.0002381200000000 ] - [ 0.0031491900000000, 0.0003841800000000, -0.0013988100000000 ] - [ 0.0010498200000000, -0.0001403500000000, -0.0002025100000000 ] - [ -0.0036080100000000, 0.0216184700000000, -0.0004711000000000 ] - [ -0.0016395800000000, -0.0125900400000000, -0.0003354800000000 ] - [ -0.0013837900000000, 0.0003334200000000, 0.0000488900000000 ] - [ -0.0012022000000000, -0.0004653300000000, 0.0000328300000000 ] - [ 0.0033053000000000, 0.0018180300000000, -0.0001464800000000 ] - [ 0.0030109100000000, -0.0012288900000000, -0.0002982000000000 ] - [ 0.0010642900000000, 0.0002290400000000, 0.0000253000000000 ] - [ 0.0012204700000000, -0.0002791500000000, 0.0000453700000000 ] - [ -0.0018195500000000, 0.0009184500000000, 0.0197422700000000 ] - [ -0.0012309000000000, 0.0000807100000000, 0.0003145000000000 ] - [ -0.0021179300000000, 0.0012855800000000, -0.0171677400000000 ] - [ -0.0011414800000000, 0.0000501600000000, -0.0002720200000000 ] - [ -0.0015233700000000, -0.0124918000000000, 0.0003465500000000 ] - [ -0.0034692200000000, 0.0215163500000000, 0.0004827900000000 ] - [ -0.0011351000000000, -0.0004412100000000, -0.0000205300000000 ] - [ -0.0013147000000000, 0.0003618800000000, -0.0000363600000000 ] - [ 0.0010842400000000, -0.0001284900000000, -0.0002241200000000 ] - [ 0.0029071800000000, 0.0000664400000000, -0.0014436500000000 ] - [ 0.0009922500000000, -0.0001657700000000, 0.0002147100000000 ] - [ 0.0030824700000000, 0.0003540300000000, 0.0014077400000000 ] - [ -0.0011633800000000, 0.0000519800000000, -0.0003052100000000 ] - [ -0.0016875800000000, 0.0008914900000000, -0.0196056700000000 ] - [ -0.0010750800000000, 0.0000215300000000, 0.0002882200000000 ] - [ -0.0019876600000000, 0.0012574600000000, 0.0170659100000000 ] - [ 0.0029429900000000, -0.0011953900000000, 0.0003100700000000 ] - [ 0.0032466300000000, 0.0018413600000000, 0.0001598900000000 ] - [ 0.0011615800000000, -0.0002509000000000, -0.0000330300000000 ] - [ 0.0010060000000000, 0.0002545400000000, -0.0000128900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004979000000000, -0.0082527500000000, -0.0009227800000000 ] - [ -0.0010770300000000, 0.0323475200000000, -0.0117514600000000 ] - [ -0.0001730400000000, -0.0022514700000000, 0.0009586600000000 ] - [ 0.0000827600000000, 0.0027148300000000, -0.0061621200000000 ] - [ -0.0000675900000000, -0.0004068600000000, -0.0000696800000000 ] - [ -0.0001862900000000, 0.0003618700000000, -0.0000083300000000 ] - [ -0.0000509200000000, -0.0003748300000000, -0.0001343400000000 ] - [ -0.0000919600000000, 0.0003275100000000, 0.0000573400000000 ] - [ -0.0004431600000000, -0.0079521500000000, 0.0008495200000000 ] - [ -0.0012674000000000, 0.0352483900000000, 0.0141141200000000 ] - [ -0.0001890700000000, -0.0022806800000000, -0.0010546400000000 ] - [ 0.0001105600000000, 0.0029256100000000, 0.0061241100000000 ] - [ -0.0001111400000000, -0.0003631000000000, 0.0000130300000000 ] - [ -0.0001600300000000, 0.0004120200000000, -0.0000855600000000 ] - [ -0.0000627200000000, -0.0003051700000000, 0.0000427000000000 ] - [ -0.0000533200000000, 0.0003539900000000, -0.0001154900000000 ] - [ -0.0002301700000000, -0.0014744000000000, -0.0001820900000000 ] - [ 0.0001207800000000, 0.0020983100000000, 0.0007225200000000 ] - [ -0.0002007100000000, -0.0014859400000000, -0.0003567500000000 ] - [ -0.0000742000000000, 0.0015277400000000, 0.0000557400000000 ] - [ -0.0024377800000000, -0.0019155800000000, -0.0003774900000000 ] - [ 0.0019266700000000, 0.0027485100000000, -0.0002306800000000 ] - [ -0.0008236400000000, -0.0009612500000000, 0.0005007600000000 ] - [ 0.0007403200000000, 0.0008703800000000, -0.0004722200000000 ] - [ -0.0007908400000000, 0.0007202200000000, 0.0001184100000000 ] - [ -0.0000942900000000, -0.0007712600000000, 0.0000604700000000 ] - [ 0.0000324500000000, 0.0005247800000000, 0.0000518800000000 ] - [ -0.0000683900000000, -0.0005254000000000, -0.0000041900000000 ] - [ -0.0048842800000000, -0.0009846500000000, 0.0034488900000000 ] - [ 0.0040258600000000, -0.0029287100000000, -0.0028477300000000 ] - [ -0.0045188300000000, -0.0006915500000000, -0.0030855500000000 ] - [ 0.0037844400000000, -0.0028908200000000, 0.0026926100000000 ] - [ -0.0036882000000000, 0.0195965100000000, -0.0002420700000000 ] - [ 0.0006363700000000, -0.0045260600000000, 0.0000814600000000 ] - [ -0.0002795800000000, 0.0020256300000000, 0.0000761300000000 ] - [ 0.0001442200000000, -0.0016247200000000, -0.0000068100000000 ] - [ -0.0009313500000000, 0.0000491700000000, 0.0000803300000000 ] - [ 0.0008382900000000, -0.0000257200000000, 0.0000313800000000 ] - [ -0.0010166100000000, 0.0001297700000000, -0.0001506000000000 ] - [ 0.0008780000000000, -0.0001193300000000, 0.0001478300000000 ] - [ -0.0001447200000000, 0.0004116600000000, -0.0000672800000000 ] - [ -0.0000248400000000, -0.0003623100000000, -0.0000036700000000 ] - [ -0.0000489800000000, 0.0003760900000000, -0.0001314900000000 ] - [ -0.0000094700000000, -0.0003293800000000, 0.0000603000000000 ] - [ -0.0013031900000000, 0.0340553400000000, 0.0133812700000000 ] - [ -0.0005429200000000, -0.0082938400000000, 0.0008293500000000 ] - [ 0.0000417100000000, 0.0026643800000000, 0.0060905200000000 ] - [ -0.0002150300000000, -0.0023002600000000, -0.0010296500000000 ] - [ -0.0001175900000000, 0.0003692200000000, 0.0000150300000000 ] - [ -0.0000688500000000, -0.0004119600000000, -0.0000856700000000 ] - [ -0.0000109300000000, 0.0003083500000000, 0.0000424500000000 ] - [ -0.0000205500000000, -0.0003530100000000, -0.0001161300000000 ] - [ -0.0015003800000000, 0.0370505900000000, -0.0159723500000000 ] - [ -0.0004879800000000, -0.0079007000000000, -0.0009052700000000 ] - [ 0.0000695300000000, 0.0029690600000000, -0.0062039400000000 ] - [ -0.0002309800000000, -0.0022353000000000, 0.0009793600000000 ] - [ 0.0019341500000000, 0.0028505500000000, 0.0001386700000000 ] - [ -0.0024185600000000, -0.0018358200000000, 0.0002800500000000 ] - [ 0.0007423400000000, 0.0009556900000000, 0.0003791000000000 ] - [ -0.0008204900000000, -0.0008801800000000, -0.0005912600000000 ] - [ 0.0001128600000000, 0.0020281200000000, -0.0008290200000000 ] - [ -0.0002257000000000, -0.0015564600000000, 0.0000934800000000 ] - [ -0.0000723300000000, 0.0014492100000000, -0.0001434600000000 ] - [ -0.0001986100000000, -0.0015685100000000, 0.0002629100000000 ] - [ 0.0040260900000000, -0.0028893300000000, 0.0029230700000000 ] - [ -0.0048723500000000, -0.0009557800000000, -0.0033683500000000 ] - [ 0.0037840300000000, -0.0028524200000000, -0.0026258700000000 ] - [ -0.0045088300000000, -0.0006612200000000, 0.0031475600000000 ] - [ -0.0000933300000000, -0.0008005900000000, 0.0000099500000000 ] - [ -0.0008191400000000, 0.0006915000000000, -0.0000493000000000 ] - [ -0.0000713400000000, -0.0005573900000000, 0.0000730900000000 ] - [ 0.0000290000000000, 0.0004928100000000, 0.0000181200000000 ] - [ 0.0008339200000000, 0.0000091300000000, 0.0000372500000000 ] - [ -0.0009334600000000, 0.0000795100000000, -0.0000117600000000 ] - [ 0.0008729000000000, -0.0000845100000000, -0.0000783400000000 ] - [ -0.0010191900000000, 0.0001575500000000, 0.0002196400000000 ] - [ 0.0006499800000000, -0.0045685000000000, -0.0000124000000000 ] - [ -0.0036251100000000, 0.0195189000000000, 0.0003179500000000 ] - [ 0.0001501600000000, -0.0016573300000000, 0.0000762400000000 ] - [ -0.0002755100000000, 0.0019917200000000, -0.0000076600000000 ] - [ 0.0010762900000000, -0.2163847200000000, 0.0001347600000000 ] - [ 0.0002691200000000, 0.0087518100000000, 0.0000298900000000 ] - [ 0.0004077000000000, -0.0079135400000000, 0.0000326100000000 ] - [ 0.0001472500000000, 0.0034590100000000, 0.0000313900000000 ] - [ 0.0010570500000000, 0.0110659400000000, -0.0104913500000000 ] - [ 0.0010675800000000, 0.0110452600000000, 0.0105083800000000 ] - [ 0.0011454600000000, 0.0110705900000000, 0.0109843700000000 ] - [ 0.0011552700000000, 0.0110402500000000, -0.0108717200000000 ] - [ -0.0005521600000000, 0.0023787400000000, -0.0001474500000000 ] - [ -0.0002821000000000, -0.0031197300000000, -0.0006818400000000 ] - [ -0.0002287400000000, 0.0013815500000000, 0.0001146400000000 ] - [ 0.0000609200000000, -0.0012231700000000, -0.0000251200000000 ] - [ 0.0021349000000000, 0.0012378600000000, 0.0004223000000000 ] - [ -0.0029318900000000, -0.0011386700000000, -0.0004807600000000 ] - [ 0.0021717300000000, 0.0013026700000000, -0.0003278600000000 ] - [ -0.0026764100000000, -0.0014945000000000, 0.0005070500000000 ] - [ 0.0000669500000000, 0.0000072800000000, -0.0000074800000000 ] - [ 0.0000666800000000, 0.0000089000000000, 0.0000712600000000 ] - [ 0.0000999900000000, 0.0000064100000000, 0.0000753300000000 ] - [ 0.0000992700000000, 0.0000106200000000, -0.0000153800000000 ] - [ 0.0005799300000000, -0.0006881600000000, 0.0000321300000000 ] - [ 0.0001014300000000, 0.0005863200000000, 0.0000309000000000 ] - [ 0.0000427700000000, -0.0005147600000000, 0.0000303400000000 ] - [ 0.0000383700000000, 0.0005134800000000, 0.0000317000000000 ] - [ -0.0029358300000000, -0.0011556200000000, 0.0004918700000000 ] - [ 0.0021288400000000, 0.0012319900000000, -0.0004081400000000 ] - [ -0.0026815100000000, -0.0015136500000000, -0.0004934200000000 ] - [ 0.0021642400000000, 0.0012945200000000, 0.0003397800000000 ] - [ -0.0002612300000000, -0.0031446800000000, 0.0006993400000000 ] - [ -0.0005636500000000, 0.0023899800000000, 0.0001563800000000 ] - [ 0.0000609300000000, -0.0012113800000000, 0.0000364100000000 ] - [ -0.0002308400000000, 0.0013920200000000, -0.0001023900000000 ] - [ 0.0001527900000000, -0.0007341600000000, 0.0001192000000000 ] - [ 0.0001270800000000, 0.0007620400000000, 0.0000405900000000 ] - [ 0.0001008500000000, -0.0006438500000000, -0.0000695600000000 ] - [ 0.0000789300000000, 0.0006847200000000, -0.0000256100000000 ] - [ 0.0198920800000000, 0.0225576900000000, -0.0000028400000000 ] - [ -0.0128624100000000, 0.0169902100000000, 0.0001508300000000 ] - [ 0.0009022400000000, 0.0005503100000000, 0.0000921000000000 ] - [ -0.0008338600000000, 0.0008283500000000, -0.0000692100000000 ] - [ 0.0007836300000000, -0.0001110700000000, -0.0001214700000000 ] - [ -0.0004733100000000, 0.0001582700000000, 0.0000856000000000 ] - [ 0.0004394500000000, -0.0001246900000000, 0.0000290900000000 ] - [ -0.0002979800000000, 0.0000784200000000, 0.0000045300000000 ] - [ 0.0010006100000000, -0.0142360900000000, 0.0020140900000000 ] - [ 0.0000759000000000, 0.0039678300000000, -0.0001237800000000 ] - [ 0.0008611500000000, -0.0135775100000000, -0.0014680500000000 ] - [ 0.0001350300000000, 0.0039287500000000, 0.0000950400000000 ] - [ -0.0129470000000000, 0.0171898200000000, -0.0001425000000000 ] - [ 0.0196737400000000, 0.0223100600000000, 0.0000118400000000 ] - [ -0.0007756600000000, 0.0008521700000000, 0.0000820300000000 ] - [ 0.0009625500000000, 0.0005795900000000, -0.0000790600000000 ] - [ 0.0000634000000000, 0.0007347400000000, -0.0000272600000000 ] - [ 0.0000925400000000, -0.0007608600000000, -0.0001108200000000 ] - [ 0.0000152300000000, 0.0006571400000000, 0.0000376400000000 ] - [ 0.0000413800000000, -0.0006694300000000, 0.0000863600000000 ] - [ 0.0001317100000000, 0.0039395200000000, 0.0001440100000000 ] - [ 0.0010990900000000, -0.0142510100000000, -0.0021036300000000 ] - [ 0.0001912900000000, 0.0039004400000000, -0.0000891900000000 ] - [ 0.0009530600000000, -0.0135912800000000, 0.0015701700000000 ] - [ -0.0005362400000000, 0.0001804800000000, -0.0000730800000000 ] - [ 0.0007213900000000, -0.0000753900000000, 0.0001331200000000 ] - [ -0.0003596300000000, 0.0001033200000000, 0.0000081700000000 ] - [ 0.0003760900000000, -0.0000961200000000, -0.0000161100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005413400000000, -0.0058930900000000, 0.0024514600000000 ] - [ 0.0012614100000000, -0.0110670200000000, 0.0337392900000000 ] - [ 0.0000315500000000, 0.0010861100000000, -0.0021053900000000 ] - [ 0.0000259200000000, -0.0009836800000000, -0.0081284300000000 ] - [ -0.0000024500000000, 0.0000623100000000, 0.0002865500000000 ] - [ 0.0000080100000000, -0.0000012800000000, 0.0003114700000000 ] - [ -0.0000267800000000, -0.0001100500000000, -0.0003576300000000 ] - [ -0.0000675800000000, -0.0000681500000000, -0.0003871800000000 ] - [ 0.0006101400000000, 0.0055404200000000, 0.0024615800000000 ] - [ -0.0013136900000000, 0.0121074400000000, 0.0348716200000000 ] - [ -0.0000134400000000, -0.0010433100000000, -0.0021040100000000 ] - [ -0.0000227800000000, 0.0008046900000000, -0.0080941900000000 ] - [ -0.0000003800000000, -0.0000773700000000, 0.0002693900000000 ] - [ -0.0000338200000000, -0.0000291800000000, 0.0003134400000000 ] - [ -0.0000308700000000, 0.0001144300000000, -0.0003404800000000 ] - [ -0.0000212700000000, 0.0000766100000000, -0.0004019900000000 ] - [ 0.0008081600000000, 0.0005340100000000, 0.0005619700000000 ] - [ 0.0023255000000000, 0.0003339200000000, 0.0016052100000000 ] - [ -0.0008413200000000, -0.0004746000000000, -0.0005928900000000 ] - [ -0.0023895400000000, 0.0004535000000000, -0.0012318100000000 ] - [ -0.0000575300000000, -0.0002533300000000, 0.0010476000000000 ] - [ -0.0007157700000000, -0.0002460000000000, 0.0015414100000000 ] - [ 0.0004003400000000, 0.0003579100000000, -0.0014531700000000 ] - [ 0.0003981800000000, 0.0002385400000000, -0.0015230000000000 ] - [ 0.0000516700000000, 0.0001144300000000, 0.0004597600000000 ] - [ 0.0000591800000000, 0.0000508100000000, 0.0004809700000000 ] - [ -0.0000595400000000, -0.0000518700000000, -0.0006272800000000 ] - [ -0.0000165100000000, 0.0000315100000000, -0.0004342400000000 ] - [ 0.0051780600000000, 0.0032504700000000, -0.0015862900000000 ] - [ 0.0039992800000000, -0.0029993100000000, -0.0017021200000000 ] - [ -0.0047312800000000, -0.0030796600000000, -0.0019894400000000 ] - [ -0.0035770000000000, 0.0027253200000000, -0.0019301200000000 ] - [ -0.0004204600000000, -0.0000348700000000, 0.0204436500000000 ] - [ -0.0001461000000000, -0.0001131600000000, 0.0017875700000000 ] - [ 0.0002175000000000, 0.0000340900000000, -0.0040620800000000 ] - [ 0.0000562300000000, 0.0000402200000000, -0.0014476700000000 ] - [ 0.0008801100000000, 0.0000528000000000, 0.0000263200000000 ] - [ 0.0009203100000000, -0.0001495800000000, -0.0000227900000000 ] - [ -0.0008570200000000, -0.0000676400000000, 0.0001338900000000 ] - [ -0.0009204800000000, 0.0001593500000000, 0.0001264700000000 ] - [ -0.0000080100000000, 0.0000012800000000, 0.0003114700000000 ] - [ 0.0000024500000000, -0.0000623100000000, 0.0002865500000000 ] - [ 0.0000675800000000, 0.0000681500000000, -0.0003871800000000 ] - [ 0.0000267800000000, 0.0001100500000000, -0.0003576300000000 ] - [ -0.0012614100000000, 0.0110670200000000, 0.0337392900000000 ] - [ 0.0005413400000000, 0.0058930900000000, 0.0024514600000000 ] - [ -0.0000259200000000, 0.0009836800000000, -0.0081284300000000 ] - [ -0.0000315500000000, -0.0010861100000000, -0.0021053900000000 ] - [ 0.0000338200000000, 0.0000291800000000, 0.0003134400000000 ] - [ 0.0000003800000000, 0.0000773700000000, 0.0002693900000000 ] - [ 0.0000212700000000, -0.0000766100000000, -0.0004019900000000 ] - [ 0.0000308700000000, -0.0001144300000000, -0.0003404800000000 ] - [ 0.0013136900000000, -0.0121074400000000, 0.0348716200000000 ] - [ -0.0006101400000000, -0.0055404200000000, 0.0024615800000000 ] - [ 0.0000227800000000, -0.0008046900000000, -0.0080941900000000 ] - [ 0.0000134400000000, 0.0010433100000000, -0.0021040100000000 ] - [ 0.0007157700000000, 0.0002460000000000, 0.0015414100000000 ] - [ 0.0000575300000000, 0.0002533300000000, 0.0010476000000000 ] - [ -0.0003981800000000, -0.0002385400000000, -0.0015230000000000 ] - [ -0.0004003400000000, -0.0003579100000000, -0.0014531700000000 ] - [ -0.0023255000000000, -0.0003339200000000, 0.0016052100000000 ] - [ -0.0008081600000000, -0.0005340100000000, 0.0005619700000000 ] - [ 0.0023895400000000, -0.0004535000000000, -0.0012318100000000 ] - [ 0.0008413200000000, 0.0004746000000000, -0.0005928900000000 ] - [ -0.0039992800000000, 0.0029993100000000, -0.0017021200000000 ] - [ -0.0051780600000000, -0.0032504700000000, -0.0015862900000000 ] - [ 0.0035770000000000, -0.0027253200000000, -0.0019301200000000 ] - [ 0.0047312800000000, 0.0030796600000000, -0.0019894400000000 ] - [ -0.0000591800000000, -0.0000508100000000, 0.0004809700000000 ] - [ -0.0000516700000000, -0.0001144300000000, 0.0004597600000000 ] - [ 0.0000165100000000, -0.0000315100000000, -0.0004342400000000 ] - [ 0.0000595400000000, 0.0000518700000000, -0.0006272800000000 ] - [ -0.0009203100000000, 0.0001495800000000, -0.0000227900000000 ] - [ -0.0008801100000000, -0.0000528000000000, 0.0000263200000000 ] - [ 0.0009204800000000, -0.0001593500000000, 0.0001264700000000 ] - [ 0.0008570200000000, 0.0000676400000000, 0.0001338900000000 ] - [ 0.0001461000000000, 0.0001131600000000, 0.0017875700000000 ] - [ 0.0004204600000000, 0.0000348700000000, 0.0204436500000000 ] - [ -0.0000562300000000, -0.0000402200000000, -0.0014476700000000 ] - [ -0.0002175000000000, -0.0000340900000000, -0.0040620800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2250064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072877800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0087677900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032535000000000 ] - [ -0.0009366200000000, -0.0109036900000000, 0.0108392200000000 ] - [ 0.0009366200000000, 0.0109036900000000, 0.0108392200000000 ] - [ 0.0009415800000000, 0.0105266900000000, 0.0108568700000000 ] - [ -0.0009415800000000, -0.0105266900000000, 0.0108568700000000 ] - [ -0.0000742800000000, 0.0000878500000000, -0.0011448600000000 ] - [ -0.0008517500000000, -0.0003580500000000, -0.0014741100000000 ] - [ 0.0000678600000000, -0.0001542300000000, 0.0012743100000000 ] - [ -0.0001099600000000, 0.0000644500000000, 0.0021704600000000 ] - [ 0.0023256300000000, 0.0009825200000000, -0.0011374600000000 ] - [ 0.0027073100000000, -0.0000942700000000, -0.0008496000000000 ] - [ -0.0022152600000000, -0.0010063200000000, 0.0006983900000000 ] - [ -0.0024416800000000, -0.0001195700000000, 0.0012017500000000 ] - [ 0.0000307200000000, -0.0000451400000000, 0.0000450900000000 ] - [ -0.0000307200000000, 0.0000451400000000, 0.0000450900000000 ] - [ -0.0000482400000000, 0.0000384400000000, 0.0000418500000000 ] - [ 0.0000482400000000, -0.0000384400000000, 0.0000418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005872500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004534300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005060300000000 ] - [ -0.0027073100000000, 0.0000942700000000, -0.0008496000000000 ] - [ -0.0023256300000000, -0.0009825200000000, -0.0011374600000000 ] - [ 0.0024416800000000, 0.0001195700000000, 0.0012017500000000 ] - [ 0.0022152600000000, 0.0010063200000000, 0.0006983900000000 ] - [ 0.0008517500000000, 0.0003580500000000, -0.0014741100000000 ] - [ 0.0000742800000000, -0.0000878500000000, -0.0011448600000000 ] - [ 0.0001099600000000, -0.0000644500000000, 0.0021704600000000 ] - [ -0.0000678600000000, 0.0001542300000000, 0.0012743100000000 ] - [ 0.0005703200000000, 0.0001173500000000, -0.0001937700000000 ] - [ 0.0003817800000000, -0.0000584200000000, -0.0000703600000000 ] - [ -0.0005658100000000, -0.0000777300000000, 0.0001743000000000 ] - [ -0.0003321400000000, 0.0000769300000000, 0.0000712600000000 ] - [ -0.0008636100000000, -0.0005279800000000, -0.0128111900000000 ] - [ -0.0004834100000000, 0.0002719300000000, -0.0118500900000000 ] - [ 0.0000149000000000, -0.0000404100000000, 0.0037597800000000 ] - [ -0.0000209000000000, 0.0000390700000000, 0.0035584800000000 ] - [ 0.0000632000000000, -0.0000360900000000, -0.0005609700000000 ] - [ 0.0000690900000000, -0.0000175600000000, -0.0006658000000000 ] - [ 0.0000148600000000, 0.0000384400000000, 0.0006109700000000 ] - [ 0.0000389500000000, -0.0000277900000000, 0.0006748600000000 ] - [ 0.0193517500000000, 0.0020690800000000, 0.0218290800000000 ] - [ 0.0008748700000000, -0.0002909600000000, 0.0005434500000000 ] - [ -0.0169950900000000, -0.0020871000000000, 0.0194766700000000 ] - [ -0.0008318300000000, 0.0003157100000000, 0.0006476700000000 ] - [ 0.0004834100000000, -0.0002719300000000, -0.0118500900000000 ] - [ 0.0008636100000000, 0.0005279800000000, -0.0128111900000000 ] - [ 0.0000209000000000, -0.0000390700000000, 0.0035584800000000 ] - [ -0.0000149000000000, 0.0000404100000000, 0.0037597800000000 ] - [ -0.0003817800000000, 0.0000584200000000, -0.0000703600000000 ] - [ -0.0005703200000000, -0.0001173500000000, -0.0001937700000000 ] - [ 0.0003321400000000, -0.0000769300000000, 0.0000712600000000 ] - [ 0.0005658100000000, 0.0000777300000000, 0.0001743000000000 ] - [ -0.0008748700000000, 0.0002909600000000, 0.0005434500000000 ] - [ -0.0193517500000000, -0.0020690800000000, 0.0218290800000000 ] - [ 0.0008318300000000, -0.0003157100000000, 0.0006476700000000 ] - [ 0.0169950900000000, 0.0020871000000000, 0.0194766700000000 ] - [ -0.0000690900000000, 0.0000175600000000, -0.0006658000000000 ] - [ -0.0000632000000000, 0.0000360900000000, -0.0005609700000000 ] - [ -0.0000389500000000, 0.0000277900000000, 0.0006748600000000 ] - [ -0.0000148600000000, -0.0000384400000000, 0.0006109700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005850200000000, 0.0059381700000000, -0.0025274800000000 ] - [ -0.0010554100000000, 0.0094926900000000, -0.0323171100000000 ] - [ 0.0000115100000000, -0.0010449300000000, 0.0020298000000000 ] - [ 0.0000150400000000, 0.0010534400000000, 0.0080582200000000 ] - [ -0.0000406000000000, -0.0001071800000000, -0.0003602500000000 ] - [ -0.0000508000000000, -0.0000464500000000, -0.0003888500000000 ] - [ -0.0000156600000000, 0.0000650800000000, 0.0002851900000000 ] - [ 0.0000242200000000, 0.0000233600000000, 0.0003158200000000 ] - [ -0.0005675000000000, -0.0055859300000000, -0.0025339100000000 ] - [ 0.0015353800000000, -0.0139183100000000, -0.0365771200000000 ] - [ 0.0000569700000000, 0.0009931500000000, 0.0020343500000000 ] - [ 0.0000640700000000, -0.0008263400000000, 0.0080146300000000 ] - [ -0.0000424000000000, 0.0001238900000000, -0.0003414600000000 ] - [ -0.0000091800000000, 0.0000721000000000, -0.0003828800000000 ] - [ -0.0000118900000000, -0.0000689300000000, 0.0002662500000000 ] - [ -0.0000221200000000, -0.0000302400000000, 0.0003278100000000 ] - [ -0.0008113300000000, -0.0004439400000000, -0.0006638900000000 ] - [ -0.0023329300000000, -0.0002429600000000, -0.0017249400000000 ] - [ 0.0008386000000000, 0.0005648600000000, 0.0004961900000000 ] - [ 0.0023737300000000, -0.0003531300000000, 0.0011377300000000 ] - [ 0.0000583400000000, 0.0001665500000000, -0.0011426100000000 ] - [ 0.0007236700000000, 0.0001371600000000, -0.0016326800000000 ] - [ -0.0004047300000000, -0.0004513600000000, 0.0013552300000000 ] - [ -0.0004028500000000, -0.0003253900000000, 0.0014234800000000 ] - [ -0.0000009300000000, -0.0000849900000000, -0.0003903400000000 ] - [ -0.0000320000000000, -0.0000182200000000, -0.0004096700000000 ] - [ 0.0000810500000000, 0.0000838500000000, 0.0006988400000000 ] - [ 0.0000433000000000, 0.0000021900000000, 0.0005062900000000 ] - [ -0.0052141000000000, -0.0032984600000000, 0.0016527500000000 ] - [ -0.0040193000000000, 0.0029674000000000, 0.0017673400000000 ] - [ 0.0046951200000000, 0.0030313500000000, 0.0020664500000000 ] - [ 0.0035563000000000, -0.0027573100000000, 0.0020096600000000 ] - [ 0.0003025300000000, 0.0000681100000000, -0.0203656000000000 ] - [ 0.0001183600000000, 0.0001457500000000, -0.0017164900000000 ] - [ -0.0002548500000000, -0.0000025000000000, 0.0041377300000000 ] - [ -0.0000860200000000, -0.0000072300000000, 0.0015193000000000 ] - [ -0.0008548300000000, -0.0000848500000000, 0.0000424300000000 ] - [ -0.0008943000000000, 0.0001168600000000, 0.0000924000000000 ] - [ 0.0008828400000000, 0.0000343800000000, -0.0000589000000000 ] - [ 0.0009471800000000, -0.0001912300000000, -0.0000516300000000 ] - [ 0.0000508000000000, 0.0000464500000000, -0.0003888500000000 ] - [ 0.0000406000000000, 0.0001071800000000, -0.0003602500000000 ] - [ -0.0000242200000000, -0.0000233600000000, 0.0003158200000000 ] - [ 0.0000156600000000, -0.0000650800000000, 0.0002851900000000 ] - [ 0.0010554100000000, -0.0094926900000000, -0.0323171100000000 ] - [ -0.0005850200000000, -0.0059381700000000, -0.0025274800000000 ] - [ -0.0000150400000000, -0.0010534400000000, 0.0080582200000000 ] - [ -0.0000115100000000, 0.0010449300000000, 0.0020298000000000 ] - [ 0.0000091800000000, -0.0000721000000000, -0.0003828800000000 ] - [ 0.0000424000000000, -0.0001238900000000, -0.0003414600000000 ] - [ 0.0000221200000000, 0.0000302400000000, 0.0003278100000000 ] - [ 0.0000118900000000, 0.0000689300000000, 0.0002662500000000 ] - [ -0.0015353800000000, 0.0139183100000000, -0.0365771200000000 ] - [ 0.0005675000000000, 0.0055859300000000, -0.0025339100000000 ] - [ -0.0000640700000000, 0.0008263400000000, 0.0080146300000000 ] - [ -0.0000569700000000, -0.0009931500000000, 0.0020343500000000 ] - [ -0.0007236700000000, -0.0001371600000000, -0.0016326800000000 ] - [ -0.0000583400000000, -0.0001665500000000, -0.0011426100000000 ] - [ 0.0004028500000000, 0.0003253900000000, 0.0014234800000000 ] - [ 0.0004047300000000, 0.0004513600000000, 0.0013552300000000 ] - [ 0.0023329300000000, 0.0002429600000000, -0.0017249400000000 ] - [ 0.0008113300000000, 0.0004439400000000, -0.0006638900000000 ] - [ -0.0023737300000000, 0.0003531300000000, 0.0011377300000000 ] - [ -0.0008386000000000, -0.0005648600000000, 0.0004961900000000 ] - [ 0.0040193000000000, -0.0029674000000000, 0.0017673400000000 ] - [ 0.0052141000000000, 0.0032984600000000, 0.0016527500000000 ] - [ -0.0035563000000000, 0.0027573100000000, 0.0020096600000000 ] - [ -0.0046951200000000, -0.0030313500000000, 0.0020664500000000 ] - [ 0.0000320000000000, 0.0000182200000000, -0.0004096700000000 ] - [ 0.0000009300000000, 0.0000849900000000, -0.0003903400000000 ] - [ -0.0000433000000000, -0.0000021900000000, 0.0005062900000000 ] - [ -0.0000810500000000, -0.0000838500000000, 0.0006988400000000 ] - [ 0.0008943000000000, -0.0001168600000000, 0.0000924000000000 ] - [ 0.0008548300000000, 0.0000848500000000, 0.0000424300000000 ] - [ -0.0009471800000000, 0.0001912300000000, -0.0000516300000000 ] - [ -0.0008828400000000, -0.0000343800000000, -0.0000589000000000 ] - [ -0.0001183600000000, -0.0001457500000000, -0.0017164900000000 ] - [ -0.0003025300000000, -0.0000681100000000, -0.0203656000000000 ] - [ 0.0000860200000000, 0.0000072300000000, 0.0015193000000000 ] - [ 0.0002548500000000, 0.0000025000000000, 0.0041377300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2252637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073491100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0087048400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031929900000000 ] - [ 0.0009263800000000, 0.0109523100000000, -0.0107964500000000 ] - [ -0.0009263800000000, -0.0109523100000000, -0.0107964500000000 ] - [ -0.0009522800000000, -0.0104741200000000, -0.0107781400000000 ] - [ 0.0009522800000000, 0.0104741200000000, -0.0107781400000000 ] - [ 0.0000745400000000, -0.0000971000000000, 0.0011619900000000 ] - [ 0.0008331600000000, 0.0003688800000000, 0.0015084400000000 ] - [ -0.0000656900000000, 0.0001470700000000, -0.0012617800000000 ] - [ 0.0001226400000000, -0.0000779200000000, -0.0021554300000000 ] - [ -0.0023173000000000, -0.0009744700000000, 0.0011425700000000 ] - [ -0.0027043700000000, 0.0000984000000000, 0.0008506700000000 ] - [ 0.0022231300000000, 0.0010155200000000, -0.0006806700000000 ] - [ 0.0024452100000000, 0.0001253500000000, -0.0011845100000000 ] - [ -0.0000306100000000, 0.0000453300000000, 0.0000195700000000 ] - [ 0.0000306100000000, -0.0000453300000000, 0.0000195700000000 ] - [ 0.0000479400000000, -0.0000400300000000, 0.0000166800000000 ] - [ -0.0000479400000000, 0.0000400300000000, 0.0000166800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006488700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005138600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004441100000000 ] - [ 0.0027043700000000, -0.0000984000000000, 0.0008506700000000 ] - [ 0.0023173000000000, 0.0009744700000000, 0.0011425700000000 ] - [ -0.0024452100000000, -0.0001253500000000, -0.0011845100000000 ] - [ -0.0022231300000000, -0.0010155200000000, -0.0006806700000000 ] - [ -0.0008331600000000, -0.0003688800000000, 0.0015084400000000 ] - [ -0.0000745400000000, 0.0000971000000000, 0.0011619900000000 ] - [ -0.0001226400000000, 0.0000779200000000, -0.0021554300000000 ] - [ 0.0000656900000000, -0.0001470700000000, -0.0012617800000000 ] - [ -0.0005057300000000, -0.0000949800000000, 0.0001996400000000 ] - [ -0.0003180600000000, 0.0000792500000000, 0.0000816800000000 ] - [ 0.0006297400000000, 0.0000990600000000, -0.0001556400000000 ] - [ 0.0003961400000000, -0.0000566400000000, -0.0000566900000000 ] - [ 0.0007629300000000, 0.0004002900000000, 0.0128259700000000 ] - [ 0.0004021800000000, -0.0002317600000000, 0.0118647900000000 ] - [ -0.0000717700000000, 0.0000303700000000, -0.0037465900000000 ] - [ -0.0000347000000000, -0.0000690500000000, -0.0035458000000000 ] - [ -0.0000037100000000, 0.0000099900000000, 0.0005744200000000 ] - [ -0.0000075100000000, -0.0000004200000000, 0.0006801800000000 ] - [ 0.0000501800000000, -0.0000579300000000, -0.0005984700000000 ] - [ 0.0000253500000000, 0.0000071800000000, -0.0006620200000000 ] - [ -0.0191460200000000, -0.0020225200000000, -0.0215482400000000 ] - [ -0.0009366500000000, 0.0003124400000000, -0.0005339900000000 ] - [ 0.0171600800000000, 0.0021302100000000, -0.0196996200000000 ] - [ 0.0007710400000000, -0.0002942900000000, -0.0006312500000000 ] - [ -0.0004021800000000, 0.0002317600000000, 0.0118647900000000 ] - [ -0.0007629300000000, -0.0004002900000000, 0.0128259700000000 ] - [ 0.0000347000000000, 0.0000690500000000, -0.0035458000000000 ] - [ 0.0000717700000000, -0.0000303700000000, -0.0037465900000000 ] - [ 0.0003180600000000, -0.0000792500000000, 0.0000816800000000 ] - [ 0.0005057300000000, 0.0000949800000000, 0.0001996400000000 ] - [ -0.0003961400000000, 0.0000566400000000, -0.0000566900000000 ] - [ -0.0006297400000000, -0.0000990600000000, -0.0001556400000000 ] - [ 0.0009366500000000, -0.0003124400000000, -0.0005339900000000 ] - [ 0.0191460200000000, 0.0020225200000000, -0.0215482400000000 ] - [ -0.0007710400000000, 0.0002942900000000, -0.0006312500000000 ] - [ -0.0171600800000000, -0.0021302100000000, -0.0196996200000000 ] - [ 0.0000075100000000, 0.0000004200000000, 0.0006801800000000 ] - [ 0.0000037100000000, -0.0000099900000000, 0.0005744200000000 ] - [ -0.0000253500000000, -0.0000071800000000, -0.0006620200000000 ] - [ -0.0000501800000000, 0.0000579300000000, -0.0005984700000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0050612900000000, -0.0044394500000000, 0.0038638500000000 ] - [ -0.0009536000000000, 0.0016855200000000, 0.0009012900000000 ] - [ -0.0004636900000000, -0.0006161400000000, -0.0014264700000000 ] - [ -0.0003297800000000, 0.0006384900000000, -0.0005835200000000 ] - [ -0.0060219700000000, 0.0043477800000000, 0.0038943500000000 ] - [ -0.0011405500000000, -0.0017045600000000, 0.0008560600000000 ] - [ -0.0005847000000000, 0.0009085000000000, -0.0013498700000000 ] - [ -0.0003091000000000, -0.0005979800000000, -0.0005124100000000 ] - [ -0.0059259700000000, -0.0043753900000000, -0.0039402100000000 ] - [ -0.0011052600000000, 0.0016585900000000, -0.0009291900000000 ] - [ -0.0005502700000000, -0.0009557200000000, 0.0012747500000000 ] - [ -0.0002705300000000, 0.0005516100000000, 0.0004413100000000 ] - [ -0.0051218400000000, 0.0044931800000000, -0.0039610000000000 ] - [ -0.0009908500000000, -0.0016348400000000, -0.0009737100000000 ] - [ -0.0005002500000000, 0.0006637100000000, 0.0013667800000000 ] - [ -0.0003674000000000, -0.0005908600000000, 0.0005127200000000 ] - [ 0.0251951000000000, 0.0001494100000000, 0.0002842700000000 ] - [ 0.0022680600000000, 0.0000496900000000, -0.0000502600000000 ] - [ 0.0044539300000000, 0.0000524600000000, -0.0000340200000000 ] - [ 0.0019632200000000, 0.0000506000000000, -0.0000492200000000 ] - [ 0.0245003500000000, 0.0002838500000000, -0.0002241800000000 ] - [ 0.0051112500000000, -0.0000438700000000, -0.0000505500000000 ] - [ 0.0014169300000000, -0.0000585300000000, -0.0000590500000000 ] - [ 0.0022281000000000, -0.0000512800000000, -0.0000526900000000 ] - [ 0.0020453600000000, 0.0008425000000000, -0.0000363500000000 ] - [ 0.1314833500000000, 0.0473095300000000, 0.0225258700000000 ] - [ 0.0011602500000000, 0.0002763200000000, 0.0001841800000000 ] - [ 0.0020372100000000, 0.0003851600000000, 0.0002817000000000 ] - [ 0.0021840500000000, -0.0004736300000000, -0.0015943900000000 ] - [ 0.0020250700000000, 0.0027860800000000, -0.0029364300000000 ] - [ 0.0024155700000000, -0.0003428100000000, -0.0001105900000000 ] - [ 0.0020338500000000, 0.0026616500000000, 0.0024645000000000 ] - [ 0.0020299000000000, -0.0007996600000000, 0.0001047000000000 ] - [ 0.1242474900000000, -0.0435006000000000, -0.0206657300000000 ] - [ 0.0011534700000000, -0.0002399300000000, -0.0001123800000000 ] - [ 0.0020212500000000, -0.0003442000000000, -0.0002086700000000 ] - [ 0.0022144100000000, 0.0004303900000000, 0.0016690000000000 ] - [ 0.0020429500000000, -0.0028267400000000, 0.0030091000000000 ] - [ 0.0024426000000000, 0.0003000400000000, 0.0001900200000000 ] - [ 0.0020435400000000, -0.0026988700000000, -0.0023928800000000 ] - [ -0.0003230500000000, 0.0011146900000000, 0.0002275300000000 ] - [ -0.0050186500000000, -0.0030693200000000, 0.0031627400000000 ] - [ 0.0000345900000000, 0.0002904500000000, -0.0003114600000000 ] - [ -0.0008321000000000, -0.0005411000000000, -0.0012565000000000 ] - [ -0.0004039100000000, -0.0011792700000000, 0.0004439200000000 ] - [ -0.0048953400000000, 0.0027919600000000, 0.0029059600000000 ] - [ -0.0001488500000000, -0.0004216600000000, -0.0004176800000000 ] - [ -0.0006781200000000, 0.0003194500000000, -0.0011336800000000 ] - [ -0.0003633500000000, 0.0011386100000000, -0.0005194200000000 ] - [ -0.0048144400000000, -0.0028241400000000, -0.0029520900000000 ] - [ -0.0001060900000000, 0.0003763000000000, 0.0003480800000000 ] - [ -0.0006382000000000, -0.0003694200000000, 0.0010642500000000 ] - [ -0.0003644500000000, -0.0010567000000000, -0.0002989600000000 ] - [ -0.0050590400000000, 0.0031052300000000, -0.0032450800000000 ] - [ -0.0000077800000000, -0.0002427000000000, 0.0002401200000000 ] - [ -0.0008724200000000, 0.0005861800000000, 0.0011875600000000 ] - [ -0.0021915200000000, 0.0000494300000000, -0.0000494200000000 ] - [ -0.0023765000000000, 0.0000454900000000, -0.0000494700000000 ] - [ -0.0015434800000000, 0.0000514600000000, -0.0000498400000000 ] - [ -0.0015408900000000, 0.0000488900000000, -0.0000498800000000 ] - [ -0.0016170100000000, -0.0000478400000000, -0.0000504200000000 ] - [ -0.0024259300000000, -0.0000496100000000, -0.0000481400000000 ] - [ -0.0014955600000000, -0.0000470500000000, -0.0000492200000000 ] - [ -0.0021123100000000, -0.0000508200000000, -0.0000502900000000 ] - [ -0.0026423600000000, -0.0009029200000000, -0.0007615000000000 ] - [ -0.0022132500000000, 0.0003839200000000, -0.0005905300000000 ] - [ -0.0023993700000000, -0.0008277500000000, 0.0006183300000000 ] - [ -0.0020913700000000, 0.0003500300000000, 0.0004777500000000 ] - [ -0.0037638300000000, -0.0002098700000000, 0.0000031400000000 ] - [ -0.0017922600000000, -0.0005094900000000, 0.0000574200000000 ] - [ -0.0017327200000000, -0.0001478100000000, 0.0001879700000000 ] - [ -0.0012102000000000, -0.0003317200000000, 0.0001296000000000 ] - [ -0.0026521800000000, 0.0009427600000000, 0.0008390400000000 ] - [ -0.0022135400000000, -0.0003491300000000, 0.0006616400000000 ] - [ -0.0024024800000000, 0.0008656800000000, -0.0005511200000000 ] - [ -0.0020885600000000, -0.0003119800000000, -0.0004053300000000 ] - [ -0.0037567500000000, 0.0001672900000000, 0.0000632100000000 ] - [ -0.0017916400000000, 0.0004777900000000, 0.0000120900000000 ] - [ -0.0017311600000000, 0.0001113800000000, -0.0001157300000000 ] - [ -0.0012092700000000, 0.0002983400000000, -0.0000582200000000 ] - [ 0.0003600900000000, -0.0005625400000000, -0.0000425900000000 ] - [ 0.0197869800000000, -0.0002249000000000, -0.0007880300000000 ] - [ 0.0000352500000000, -0.0002305600000000, 0.0000984200000000 ] - [ 0.0004590200000000, 0.0000646900000000, -0.0000869400000000 ] - [ 0.0006070900000000, 0.0029201000000000, 0.0027249700000000 ] - [ 0.0011614400000000, -0.0021295500000000, 0.0023523900000000 ] - [ 0.0001449400000000, 0.0026726800000000, -0.0024050900000000 ] - [ 0.0010337600000000, -0.0021711300000000, -0.0021908600000000 ] - [ -0.3379169600000000, -0.0042124000000000, -0.0019413700000000 ] - [ -0.0032002300000000, -0.0000052500000000, 0.0000093900000000 ] - [ -0.0031322600000000, -0.0000079500000000, 0.0000074600000000 ] - [ -0.0018061400000000, -0.0000040700000000, 0.0000060400000000 ] - [ -0.0037527600000000, 0.0000217400000000, -0.0000089400000000 ] - [ -0.0058746900000000, -0.0000007000000000, 0.0000012800000000 ] - [ -0.0037527600000000, 0.0000213300000000, 0.0000275300000000 ] - [ -0.0058748500000000, -0.0000015800000000, 0.0000104400000000 ] - [ 0.0005991300000000, -0.0029458800000000, -0.0026868400000000 ] - [ 0.0011559800000000, 0.0021326600000000, -0.0022919700000000 ] - [ 0.0001354300000000, -0.0026865500000000, 0.0024819800000000 ] - [ 0.0010324900000000, 0.0021656500000000, 0.0022472300000000 ] - [ 0.0003537100000000, 0.0005553700000000, 0.0001076600000000 ] - [ 0.0198585500000000, 0.0003194600000000, 0.0008973200000000 ] - [ 0.0000322300000000, 0.0002296400000000, -0.0000381500000000 ] - [ 0.0004518100000000, -0.0000581900000000, 0.0001464700000000 ] - [ 0.0026666600000000, -0.0000042500000000, 0.0000082400000000 ] - [ 0.0027258700000000, -0.0000015700000000, 0.0000079800000000 ] - [ 0.0027257500000000, -0.0000058600000000, 0.0000060000000000 ] - [ 0.0026674300000000, -0.0000019300000000, 0.0000061600000000 ] - [ 0.0023238700000000, 0.0000014500000000, 0.0000072800000000 ] - [ 0.0040906000000000, 0.0000060400000000, 0.0000072300000000 ] - [ 0.0016873600000000, 0.0000023700000000, 0.0000065500000000 ] - [ 0.0023412000000000, 0.0000045000000000, 0.0000066300000000 ] - [ -0.0011591900000000, 0.0003103500000000, 0.0005224800000000 ] - [ 0.0018190100000000, -0.0001749100000000, 0.0118715800000000 ] - [ -0.0010760200000000, 0.0001022500000000, -0.0004166600000000 ] - [ 0.0048936300000000, 0.0013745100000000, -0.0163505800000000 ] - [ 0.0042881000000000, 0.0157677500000000, -0.0019502500000000 ] - [ 0.0023776500000000, -0.0126045700000000, -0.0001586800000000 ] - [ -0.0011916000000000, 0.0004386900000000, 0.0001475100000000 ] - [ -0.0010021400000000, -0.0006536400000000, -0.0000321400000000 ] - [ 0.0043596100000000, -0.0159601200000000, 0.0019847300000000 ] - [ 0.0024287000000000, 0.0125684200000000, 0.0001830000000000 ] - [ -0.0011426300000000, -0.0004646100000000, -0.0001367400000000 ] - [ -0.0009472000000000, 0.0006243400000000, 0.0000440500000000 ] - [ -0.0012116100000000, -0.0002821100000000, -0.0005103700000000 ] - [ 0.0017749000000000, 0.0002166900000000, -0.0118379500000000 ] - [ -0.0011298500000000, -0.0000761500000000, 0.0004296600000000 ] - [ 0.0048208300000000, -0.0013052900000000, 0.0162250000000000 ] - [ 0.0030112100000000, 0.0016127100000000, -0.0002067200000000 ] - [ 0.0028813800000000, -0.0013170200000000, -0.0000996300000000 ] - [ 0.0012679800000000, 0.0005140400000000, -0.0000156600000000 ] - [ 0.0013310300000000, -0.0003591300000000, -0.0000357900000000 ] - [ 0.0028622500000000, 0.0000108300000000, 0.0013678200000000 ] - [ 0.0012562800000000, 0.0001749900000000, 0.0004459200000000 ] - [ 0.0028418400000000, 0.0001014500000000, -0.0013634000000000 ] - [ 0.0012668900000000, 0.0001667000000000, -0.0003463100000000 ] - [ 0.0029210300000000, -0.0000290700000000, -0.0013520200000000 ] - [ 0.0013163100000000, -0.0002063400000000, -0.0004316600000000 ] - [ 0.0028941600000000, -0.0001191000000000, 0.0013675200000000 ] - [ 0.0013267300000000, -0.0001971100000000, 0.0003579400000000 ] - [ 0.0029632600000000, -0.0015954000000000, 0.0002259200000000 ] - [ 0.0028176700000000, 0.0013437400000000, 0.0001174300000000 ] - [ 0.0012075400000000, -0.0004878600000000, 0.0000263000000000 ] - [ 0.0012714300000000, 0.0003871700000000, 0.0000467700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004350700000000, 0.0051023400000000, -0.0018771700000000 ] - [ 0.0003288300000000, -0.0019333600000000, -0.0002766100000000 ] - [ -0.0006085900000000, 0.0010646700000000, -0.0000185300000000 ] - [ 0.0003224900000000, -0.0010679200000000, 0.0003999000000000 ] - [ 0.0000236700000000, 0.0044791000000000, 0.0015733600000000 ] - [ -0.0004112700000000, -0.0020119300000000, 0.0000269600000000 ] - [ 0.0006340500000000, 0.0013375000000000, -0.0000742100000000 ] - [ -0.0001371500000000, -0.0010503500000000, -0.0002794900000000 ] - [ -0.0000236700000000, 0.0044791000000000, 0.0015733600000000 ] - [ 0.0004112700000000, -0.0020119300000000, 0.0000269600000000 ] - [ -0.0006340500000000, 0.0013375000000000, -0.0000742100000000 ] - [ 0.0001371500000000, -0.0010503500000000, -0.0002794900000000 ] - [ -0.0004350700000000, 0.0051023400000000, -0.0018771700000000 ] - [ -0.0003288300000000, -0.0019333600000000, -0.0002766100000000 ] - [ 0.0006085900000000, 0.0010646700000000, -0.0000185300000000 ] - [ -0.0003224900000000, -0.0010679200000000, 0.0003999000000000 ] - [ 0.0000000000000000, 0.0274912300000000, 0.0164965600000000 ] - [ 0.0000000000000000, -0.0023791400000000, -0.0002687200000000 ] - [ 0.0000000000000000, 0.0057866400000000, 0.0047000800000000 ] - [ 0.0000000000000000, -0.0020538200000000, -0.0007737100000000 ] - [ 0.0000000000000000, 0.0946615100000000, -0.0378352800000000 ] - [ 0.0000000000000000, -0.0062325700000000, -0.0009723200000000 ] - [ 0.0000000000000000, 0.0003138100000000, -0.0009590000000000 ] - [ 0.0000000000000000, -0.0010904500000000, 0.0008515400000000 ] - [ 0.0006693400000000, -0.0041491400000000, -0.0000667500000000 ] - [ 0.0454039100000000, 0.0442369700000000, 0.0101368000000000 ] - [ 0.0000833200000000, -0.0011546300000000, 0.0001087100000000 ] - [ 0.0011258000000000, 0.0012707900000000, 0.0000867000000000 ] - [ -0.0025712000000000, -0.0013406000000000, -0.0028946700000000 ] - [ 0.0016832200000000, -0.0017132200000000, 0.0028656300000000 ] - [ -0.0054331400000000, -0.0027209300000000, 0.0057272200000000 ] - [ 0.0010645100000000, -0.0011005000000000, -0.0020456000000000 ] - [ -0.0006693400000000, -0.0041491400000000, -0.0000667500000000 ] - [ -0.0454039100000000, 0.0442369700000000, 0.0101368000000000 ] - [ -0.0000833200000000, -0.0011546300000000, 0.0001087100000000 ] - [ -0.0011258000000000, 0.0012707900000000, 0.0000867000000000 ] - [ 0.0025712000000000, -0.0013406000000000, -0.0028946700000000 ] - [ -0.0016832200000000, -0.0017132200000000, 0.0028656300000000 ] - [ 0.0054331400000000, -0.0027209300000000, 0.0057272200000000 ] - [ -0.0010645100000000, -0.0011005000000000, -0.0020456000000000 ] - [ 0.0017516100000000, -0.0010945000000000, -0.0007718900000000 ] - [ -0.0026747400000000, -0.0007278400000000, 0.0017948800000000 ] - [ 0.0011528800000000, -0.0006774200000000, 0.0004843300000000 ] - [ -0.0003256600000000, 0.0004229700000000, -0.0007255200000000 ] - [ -0.0018221400000000, -0.0009531000000000, 0.0004866700000000 ] - [ 0.0024644300000000, -0.0010578700000000, -0.0017145600000000 ] - [ -0.0008854500000000, -0.0006275500000000, -0.0003504300000000 ] - [ 0.0002437400000000, 0.0006437700000000, 0.0005779500000000 ] - [ 0.0018221400000000, -0.0009531000000000, 0.0004866700000000 ] - [ -0.0024644300000000, -0.0010578700000000, -0.0017145600000000 ] - [ 0.0008854500000000, -0.0006275500000000, -0.0003504300000000 ] - [ -0.0002437400000000, 0.0006437700000000, 0.0005779500000000 ] - [ -0.0017516100000000, -0.0010945000000000, -0.0007718900000000 ] - [ 0.0026747400000000, -0.0007278400000000, 0.0017948800000000 ] - [ -0.0011528800000000, -0.0006774200000000, 0.0004843300000000 ] - [ 0.0003256600000000, 0.0004229700000000, -0.0007255200000000 ] - [ 0.0000000000000000, 0.0000206800000000, -0.0000768000000000 ] - [ 0.0000000000000000, 0.0000744300000000, -0.0000965200000000 ] - [ 0.0000000000000000, -0.0000107000000000, -0.0000317500000000 ] - [ 0.0000000000000000, 0.0001519100000000, 0.0000537400000000 ] - [ 0.0000000000000000, -0.0001700900000000, -0.0000417400000000 ] - [ 0.0000000000000000, 0.0000998400000000, 0.0000858900000000 ] - [ 0.0000000000000000, -0.0001288700000000, -0.0000483300000000 ] - [ 0.0000000000000000, 0.0001186200000000, -0.0001999300000000 ] - [ -0.0001230500000000, 0.0004043400000000, 0.0001098200000000 ] - [ 0.0003239300000000, -0.0004586700000000, 0.0003164600000000 ] - [ -0.0000901400000000, 0.0004592300000000, -0.0000899300000000 ] - [ 0.0002524300000000, -0.0004636400000000, -0.0002363000000000 ] - [ -0.0002111400000000, 0.0007296400000000, 0.0000368300000000 ] - [ 0.0000866400000000, -0.0007026700000000, 0.0000091600000000 ] - [ 0.0001293800000000, 0.0004187000000000, 0.0000380400000000 ] - [ 0.0000810200000000, -0.0004785500000000, 0.0000714100000000 ] - [ 0.0001230500000000, 0.0004043400000000, 0.0001098200000000 ] - [ -0.0003239300000000, -0.0004586700000000, 0.0003164600000000 ] - [ 0.0000901400000000, 0.0004592300000000, -0.0000899300000000 ] - [ -0.0002524300000000, -0.0004636400000000, -0.0002363000000000 ] - [ 0.0002111400000000, 0.0007296400000000, 0.0000368300000000 ] - [ -0.0000866400000000, -0.0007026700000000, 0.0000091600000000 ] - [ -0.0001293800000000, 0.0004187000000000, 0.0000380400000000 ] - [ -0.0000810200000000, -0.0004785500000000, 0.0000714100000000 ] - [ 0.0011515700000000, 0.0023842600000000, 0.0001231700000000 ] - [ -0.0101291300000000, -0.0031240200000000, -0.0003294600000000 ] - [ 0.0003583700000000, 0.0013885000000000, -0.0001221700000000 ] - [ 0.0004094600000000, -0.0012166300000000, 0.0001009400000000 ] - [ 0.0026806300000000, -0.0011405800000000, 0.0001270500000000 ] - [ -0.0017689400000000, 0.0012283200000000, -0.0009464200000000 ] - [ 0.0034769200000000, -0.0015002000000000, 0.0001537900000000 ] - [ -0.0011592800000000, 0.0012914500000000, 0.0010393200000000 ] - [ 0.0000000000000000, -0.2365367200000000, 0.0035548600000000 ] - [ 0.0000000000000000, 0.0063229300000000, -0.0006615500000000 ] - [ 0.0000000000000000, -0.0018815700000000, -0.0001382300000000 ] - [ 0.0000000000000000, 0.0017786300000000, -0.0000128300000000 ] - [ 0.0000000000000000, 0.0040804200000000, -0.0227494900000000 ] - [ 0.0000000000000000, 0.0031007800000000, 0.0036268200000000 ] - [ 0.0000000000000000, 0.0041417700000000, 0.0111712500000000 ] - [ 0.0000000000000000, 0.0031093100000000, -0.0021336200000000 ] - [ -0.0026806300000000, -0.0011405800000000, 0.0001270500000000 ] - [ 0.0017689400000000, 0.0012283200000000, -0.0009464200000000 ] - [ -0.0034769200000000, -0.0015002000000000, 0.0001537900000000 ] - [ 0.0011592800000000, 0.0012914500000000, 0.0010393200000000 ] - [ -0.0011515700000000, 0.0023842600000000, 0.0001231700000000 ] - [ 0.0101291300000000, -0.0031240200000000, -0.0003294600000000 ] - [ -0.0003583700000000, 0.0013885000000000, -0.0001221700000000 ] - [ -0.0004094600000000, -0.0012166300000000, 0.0001009400000000 ] - [ 0.0000000000000000, -0.0000618200000000, -0.0000232300000000 ] - [ 0.0000000000000000, -0.0000113400000000, 0.0001737000000000 ] - [ 0.0000000000000000, -0.0000102700000000, -0.0000197500000000 ] - [ 0.0000000000000000, -0.0000641500000000, -0.0001617800000000 ] - [ 0.0000000000000000, 0.0001974700000000, -0.0000164100000000 ] - [ 0.0000000000000000, -0.0001596500000000, -0.0000492200000000 ] - [ 0.0000000000000000, 0.0001685100000000, 0.0000218100000000 ] - [ 0.0000000000000000, -0.0002411700000000, 0.0001056500000000 ] - [ -0.0005962000000000, 0.0031312700000000, -0.0002892200000000 ] - [ 0.0002623800000000, -0.0047424600000000, 0.0048126900000000 ] - [ -0.0003770500000000, 0.0025898900000000, 0.0003042300000000 ] - [ 0.0013190700000000, -0.0054535400000000, -0.0060269400000000 ] - [ 0.0189776100000000, 0.0098345100000000, 0.0006942400000000 ] - [ -0.0077813400000000, 0.0100706400000000, 0.0006577700000000 ] - [ 0.0011864800000000, -0.0001872200000000, -0.0004141800000000 ] - [ -0.0002825800000000, -0.0000083500000000, -0.0001599000000000 ] - [ -0.0189776100000000, 0.0098345100000000, 0.0006942400000000 ] - [ 0.0077813400000000, 0.0100706400000000, 0.0006577700000000 ] - [ -0.0011864800000000, -0.0001872200000000, -0.0004141800000000 ] - [ 0.0002825800000000, -0.0000083500000000, -0.0001599000000000 ] - [ 0.0005962000000000, 0.0031312700000000, -0.0002892200000000 ] - [ -0.0002623800000000, -0.0047424600000000, 0.0048126900000000 ] - [ 0.0003770500000000, 0.0025898900000000, 0.0003042300000000 ] - [ -0.0013190700000000, -0.0054535400000000, -0.0060269400000000 ] - [ 0.0007744600000000, -0.0007631900000000, -0.0000383800000000 ] - [ -0.0007580600000000, 0.0009067900000000, 0.0000243800000000 ] - [ 0.0005005300000000, -0.0003047200000000, -0.0000037900000000 ] - [ -0.0001141500000000, 0.0002758800000000, -0.0000072400000000 ] - [ 0.0002802100000000, -0.0008239200000000, 0.0004644800000000 ] - [ -0.0003070000000000, 0.0008423100000000, 0.0000223700000000 ] - [ 0.0001198000000000, -0.0008808500000000, -0.0004207100000000 ] - [ -0.0002247100000000, 0.0008231600000000, 0.0000189500000000 ] - [ -0.0002802100000000, -0.0008239200000000, 0.0004644800000000 ] - [ 0.0003070000000000, 0.0008423100000000, 0.0000223700000000 ] - [ -0.0001198000000000, -0.0008808500000000, -0.0004207100000000 ] - [ 0.0002247100000000, 0.0008231600000000, 0.0000189500000000 ] - [ -0.0007744600000000, -0.0007631900000000, -0.0000383800000000 ] - [ 0.0007580600000000, 0.0009067900000000, 0.0000243800000000 ] - [ -0.0005005300000000, -0.0003047200000000, -0.0000037900000000 ] - [ 0.0001141500000000, 0.0002758800000000, -0.0000072400000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003974500000000, -0.0050778100000000, 0.0018061900000000 ] - [ -0.0002784900000000, 0.0019813100000000, 0.0002004100000000 ] - [ 0.0006501900000000, -0.0010266200000000, -0.0000542400000000 ] - [ -0.0002716200000000, 0.0011103500000000, -0.0004681800000000 ] - [ -0.0000597100000000, -0.0045449100000000, -0.0016508200000000 ] - [ 0.0003596300000000, 0.0019679900000000, -0.0001015100000000 ] - [ -0.0006738700000000, -0.0013845100000000, 0.0000034200000000 ] - [ 0.0000901600000000, 0.0010053400000000, 0.0002059700000000 ] - [ 0.0000597100000000, -0.0045449100000000, -0.0016508200000000 ] - [ -0.0003596300000000, 0.0019679900000000, -0.0001015100000000 ] - [ 0.0006738700000000, -0.0013845100000000, 0.0000034200000000 ] - [ -0.0000901600000000, 0.0010053400000000, 0.0002059700000000 ] - [ 0.0003974500000000, -0.0050778100000000, 0.0018061900000000 ] - [ 0.0002784900000000, 0.0019813100000000, 0.0002004100000000 ] - [ -0.0006501900000000, -0.0010266200000000, -0.0000542400000000 ] - [ 0.0002716200000000, 0.0011103500000000, -0.0004681800000000 ] - [ 0.0000000000000000, -0.0272071900000000, -0.0163493700000000 ] - [ 0.0000000000000000, 0.0024635100000000, 0.0001763100000000 ] - [ 0.0000000000000000, -0.0057103700000000, -0.0047947900000000 ] - [ 0.0000000000000000, 0.0021385100000000, 0.0006660400000000 ] - [ 0.0000000000000000, -0.1004804000000000, 0.0413049800000000 ] - [ 0.0000000000000000, 0.0060894000000000, 0.0008556000000000 ] - [ 0.0000000000000000, -0.0004295500000000, 0.0008407900000000 ] - [ 0.0000000000000000, 0.0010000700000000, -0.0009392500000000 ] - [ -0.0006541400000000, 0.0041726500000000, 0.0001357400000000 ] - [ -0.0442087300000000, -0.0443132300000000, -0.0098035800000000 ] - [ -0.0000614100000000, 0.0011803100000000, -0.0000356900000000 ] - [ -0.0010968600000000, -0.0012310400000000, -0.0000200200000000 ] - [ 0.0025498300000000, 0.0012924200000000, 0.0029888100000000 ] - [ -0.0016792000000000, 0.0016816900000000, -0.0027718300000000 ] - [ 0.0053924300000000, 0.0026913900000000, -0.0056522800000000 ] - [ -0.0010757400000000, 0.0010819800000000, 0.0021069700000000 ] - [ 0.0006541400000000, 0.0041726500000000, 0.0001357400000000 ] - [ 0.0442087300000000, -0.0443132300000000, -0.0098035800000000 ] - [ 0.0000614100000000, 0.0011803100000000, -0.0000356900000000 ] - [ 0.0010968600000000, -0.0012310400000000, -0.0000200200000000 ] - [ -0.0025498300000000, 0.0012924200000000, 0.0029888100000000 ] - [ 0.0016792000000000, 0.0016816900000000, -0.0027718300000000 ] - [ -0.0053924300000000, 0.0026913900000000, -0.0056522800000000 ] - [ 0.0010757400000000, 0.0010819800000000, 0.0021069700000000 ] - [ -0.0017162500000000, 0.0011378300000000, 0.0007014400000000 ] - [ 0.0027288100000000, 0.0007949800000000, -0.0018813300000000 ] - [ -0.0011083600000000, 0.0007169900000000, -0.0005570300000000 ] - [ 0.0003696100000000, -0.0003711200000000, 0.0006551800000000 ] - [ 0.0017846700000000, 0.0009052100000000, -0.0005672700000000 ] - [ -0.0025296200000000, 0.0010396300000000, 0.0016586600000000 ] - [ 0.0008458100000000, 0.0005795700000000, 0.0002807500000000 ] - [ -0.0002860200000000, -0.0006784100000000, -0.0006531600000000 ] - [ -0.0017846700000000, 0.0009052100000000, -0.0005672700000000 ] - [ 0.0025296200000000, 0.0010396300000000, 0.0016586600000000 ] - [ -0.0008458100000000, 0.0005795700000000, 0.0002807500000000 ] - [ 0.0002860200000000, -0.0006784100000000, -0.0006531600000000 ] - [ 0.0017162500000000, 0.0011378300000000, 0.0007014400000000 ] - [ -0.0027288100000000, 0.0007949800000000, -0.0018813300000000 ] - [ 0.0011083600000000, 0.0007169900000000, -0.0005570300000000 ] - [ -0.0003696100000000, -0.0003711200000000, 0.0006551800000000 ] - [ 0.0000000000000000, 0.0000690300000000, -0.0000240500000000 ] - [ 0.0000000000000000, 0.0000188900000000, -0.0000019100000000 ] - [ 0.0000000000000000, 0.0000962300000000, -0.0000629400000000 ] - [ 0.0000000000000000, -0.0000601600000000, -0.0001503000000000 ] - [ 0.0000000000000000, 0.0000801200000000, -0.0000541100000000 ] - [ 0.0000000000000000, -0.0001918900000000, -0.0001873700000000 ] - [ 0.0000000000000000, 0.0000359900000000, -0.0000493800000000 ] - [ 0.0000000000000000, -0.0002085600000000, 0.0001023400000000 ] - [ 0.0001435800000000, -0.0003802500000000, -0.0000398600000000 ] - [ -0.0003020300000000, 0.0004919000000000, -0.0002479400000000 ] - [ 0.0001098700000000, -0.0004337600000000, 0.0001599400000000 ] - [ -0.0002320000000000, 0.0004961800000000, 0.0003078400000000 ] - [ 0.0001919100000000, -0.0007595100000000, 0.0000324800000000 ] - [ -0.0001108700000000, 0.0006746200000000, 0.0000596200000000 ] - [ -0.0001507900000000, -0.0004465800000000, 0.0000326300000000 ] - [ -0.0001050100000000, 0.0004505900000000, 0.0000004600000000 ] - [ -0.0001435800000000, -0.0003802500000000, -0.0000398600000000 ] - [ 0.0003020300000000, 0.0004919000000000, -0.0002479400000000 ] - [ -0.0001098700000000, -0.0004337600000000, 0.0001599400000000 ] - [ 0.0002320000000000, 0.0004961800000000, 0.0003078400000000 ] - [ -0.0001919100000000, -0.0007595100000000, 0.0000324800000000 ] - [ 0.0001108700000000, 0.0006746200000000, 0.0000596200000000 ] - [ 0.0001507900000000, -0.0004465800000000, 0.0000326300000000 ] - [ 0.0001050100000000, 0.0004505900000000, 0.0000004600000000 ] - [ -0.0011612400000000, -0.0023835900000000, -0.0000594000000000 ] - [ 0.0101754400000000, 0.0031386400000000, 0.0003983800000000 ] - [ -0.0003610600000000, -0.0013848200000000, 0.0001810400000000 ] - [ -0.0004041900000000, 0.0012182900000000, -0.0000402700000000 ] - [ -0.0026897600000000, 0.0011537500000000, -0.0000628200000000 ] - [ 0.0017444700000000, -0.0012410800000000, 0.0010117700000000 ] - [ -0.0034739400000000, 0.0015075500000000, -0.0000881000000000 ] - [ 0.0011485400000000, -0.0013061400000000, -0.0009798100000000 ] - [ 0.0000000000000000, 0.2425108900000000, -0.0080339700000000 ] - [ 0.0000000000000000, -0.0062994000000000, 0.0006613100000000 ] - [ 0.0000000000000000, 0.0018661300000000, 0.0001630600000000 ] - [ 0.0000000000000000, -0.0017808500000000, 0.0000288900000000 ] - [ 0.0000000000000000, -0.0041290500000000, 0.0228002800000000 ] - [ 0.0000000000000000, -0.0030979700000000, -0.0035694200000000 ] - [ 0.0000000000000000, -0.0040679800000000, -0.0112346600000000 ] - [ 0.0000000000000000, -0.0030891700000000, 0.0021249700000000 ] - [ 0.0026897600000000, 0.0011537500000000, -0.0000628200000000 ] - [ -0.0017444700000000, -0.0012410800000000, 0.0010117700000000 ] - [ 0.0034739400000000, 0.0015075500000000, -0.0000881000000000 ] - [ -0.0011485400000000, -0.0013061400000000, -0.0009798100000000 ] - [ 0.0011612400000000, -0.0023835900000000, -0.0000594000000000 ] - [ -0.0101754400000000, 0.0031386400000000, 0.0003983800000000 ] - [ 0.0003610600000000, -0.0013848200000000, 0.0001810400000000 ] - [ 0.0004041900000000, 0.0012182900000000, -0.0000402700000000 ] - [ 0.0000000000000000, 0.0000566500000000, 0.0000389700000000 ] - [ 0.0000000000000000, 0.0000038700000000, -0.0001577900000000 ] - [ 0.0000000000000000, 0.0000045100000000, 0.0000354400000000 ] - [ 0.0000000000000000, 0.0000552200000000, 0.0001778600000000 ] - [ 0.0000000000000000, -0.0001889400000000, 0.0000309500000000 ] - [ 0.0000000000000000, 0.0001651100000000, 0.0000650500000000 ] - [ 0.0000000000000000, -0.0001592200000000, -0.0000065500000000 ] - [ 0.0000000000000000, 0.0002477700000000, -0.0000904500000000 ] - [ 0.0006640500000000, -0.0030990100000000, 0.0003067900000000 ] - [ -0.0002174500000000, 0.0047510300000000, -0.0048334500000000 ] - [ 0.0004492200000000, -0.0025632800000000, -0.0002946700000000 ] - [ -0.0012980300000000, 0.0054242400000000, 0.0060864000000000 ] - [ -0.0191765500000000, -0.0099316900000000, -0.0006439100000000 ] - [ 0.0076123500000000, -0.0100603600000000, -0.0006300500000000 ] - [ -0.0012479400000000, 0.0001716200000000, 0.0004226200000000 ] - [ 0.0002137400000000, -0.0000249300000000, 0.0001673100000000 ] - [ 0.0191765500000000, -0.0099316900000000, -0.0006439100000000 ] - [ -0.0076123500000000, -0.0100603600000000, -0.0006300500000000 ] - [ 0.0012479400000000, 0.0001716200000000, 0.0004226200000000 ] - [ -0.0002137400000000, -0.0000249300000000, 0.0001673100000000 ] - [ -0.0006640500000000, -0.0030990100000000, 0.0003067900000000 ] - [ 0.0002174500000000, 0.0047510300000000, -0.0048334500000000 ] - [ -0.0004492200000000, -0.0025632800000000, -0.0002946700000000 ] - [ 0.0012980300000000, 0.0054242400000000, 0.0060864000000000 ] - [ -0.0007089300000000, 0.0007951100000000, 0.0000514400000000 ] - [ 0.0008238900000000, -0.0008893100000000, -0.0000101200000000 ] - [ -0.0004349600000000, 0.0003324600000000, 0.0000157900000000 ] - [ 0.0001777900000000, -0.0002549500000000, 0.0000187700000000 ] - [ -0.0003505700000000, 0.0008010000000000, -0.0004539900000000 ] - [ 0.0002442300000000, -0.0008683600000000, -0.0000080700000000 ] - [ -0.0001895200000000, 0.0008563900000000, 0.0004354600000000 ] - [ 0.0001636400000000, -0.0008483500000000, -0.0000061400000000 ] - [ 0.0003505700000000, 0.0008010000000000, -0.0004539900000000 ] - [ -0.0002442300000000, -0.0008683600000000, -0.0000080700000000 ] - [ 0.0001895200000000, 0.0008563900000000, 0.0004354600000000 ] - [ -0.0001636400000000, -0.0008483500000000, -0.0000061400000000 ] - [ 0.0007089300000000, 0.0007951100000000, 0.0000514400000000 ] - [ -0.0008238900000000, -0.0008893100000000, -0.0000101200000000 ] - [ 0.0004349600000000, 0.0003324600000000, 0.0000157900000000 ] - [ -0.0001777900000000, -0.0002549500000000, 0.0000187700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0024024600000000, 0.0003457300000000, -0.0000498700000000 ] - [ 0.0006380700000000, -0.0001493500000000, 0.0000487500000000 ] - [ -0.0017777300000000, -0.0004562900000000, -0.0014138200000000 ] - [ -0.0006433200000000, 0.0003487600000000, -0.0005555400000000 ] - [ 0.0012869900000000, 0.0006538200000000, 0.0034411600000000 ] - [ 0.0002020900000000, 0.0001287800000000, 0.0011923900000000 ] - [ -0.0005375700000000, -0.0001637100000000, -0.0018208200000000 ] - [ -0.0002549300000000, -0.0001956200000000, -0.0008965200000000 ] - [ -0.0012869900000000, 0.0006538200000000, 0.0034411600000000 ] - [ -0.0002020900000000, 0.0001287800000000, 0.0011923900000000 ] - [ 0.0005375700000000, -0.0001637100000000, -0.0018208200000000 ] - [ 0.0002549300000000, -0.0001956200000000, -0.0008965200000000 ] - [ -0.0024024600000000, 0.0003457300000000, -0.0000498700000000 ] - [ -0.0006380700000000, -0.0001493500000000, 0.0000487500000000 ] - [ 0.0017777300000000, -0.0004562900000000, -0.0014138200000000 ] - [ 0.0006433200000000, 0.0003487600000000, -0.0005555400000000 ] - [ 0.0000000000000000, 0.0153020900000000, 0.1008077000000000 ] - [ 0.0000000000000000, 0.0006102500000000, 0.0013663500000000 ] - [ 0.0000000000000000, 0.0003278400000000, -0.0111133100000000 ] - [ 0.0000000000000000, -0.0001944400000000, -0.0011356900000000 ] - [ 0.0000000000000000, -0.0396449400000000, 0.0446363800000000 ] - [ 0.0000000000000000, -0.0012814800000000, 0.0008871400000000 ] - [ 0.0000000000000000, -0.0019722600000000, -0.0090962400000000 ] - [ 0.0000000000000000, 0.0005222000000000, -0.0013430400000000 ] - [ -0.0008207100000000, 0.0010084700000000, 0.0013105800000000 ] - [ 0.0211910300000000, 0.0102140100000000, 0.0279391400000000 ] - [ 0.0001768500000000, -0.0002618600000000, -0.0011023800000000 ] - [ 0.0006145500000000, 0.0002682800000000, -0.0040388700000000 ] - [ -0.0060938200000000, -0.0075595300000000, -0.0008880200000000 ] - [ -0.0023719400000000, 0.0031478600000000, 0.0001682200000000 ] - [ 0.0028592300000000, 0.0022469100000000, -0.0029873600000000 ] - [ 0.0010530300000000, -0.0012587900000000, -0.0011729400000000 ] - [ 0.0008207100000000, 0.0010084700000000, 0.0013105800000000 ] - [ -0.0211910300000000, 0.0102140100000000, 0.0279391400000000 ] - [ -0.0001768500000000, -0.0002618600000000, -0.0011023800000000 ] - [ -0.0006145500000000, 0.0002682800000000, -0.0040388700000000 ] - [ 0.0060938200000000, -0.0075595300000000, -0.0008880200000000 ] - [ 0.0023719400000000, 0.0031478600000000, 0.0001682200000000 ] - [ -0.0028592300000000, 0.0022469100000000, -0.0029873600000000 ] - [ -0.0010530300000000, -0.0012587900000000, -0.0011729400000000 ] - [ 0.0002672600000000, -0.0002097600000000, 0.0015606500000000 ] - [ -0.0009222500000000, -0.0005850600000000, 0.0030770400000000 ] - [ -0.0003562400000000, 0.0002852900000000, -0.0010845700000000 ] - [ -0.0002772100000000, -0.0000273600000000, -0.0013726700000000 ] - [ 0.0008056900000000, 0.0005809100000000, 0.0001316500000000 ] - [ 0.0007472200000000, -0.0004956100000000, 0.0000104200000000 ] - [ -0.0010505300000000, -0.0007108000000000, -0.0007055800000000 ] - [ -0.0015945400000000, 0.0008960300000000, -0.0011025600000000 ] - [ -0.0008056900000000, 0.0005809100000000, 0.0001316500000000 ] - [ -0.0007472200000000, -0.0004956100000000, 0.0000104200000000 ] - [ 0.0010505300000000, -0.0007108000000000, -0.0007055800000000 ] - [ 0.0015945400000000, 0.0008960300000000, -0.0011025600000000 ] - [ -0.0002672600000000, -0.0002097600000000, 0.0015606500000000 ] - [ 0.0009222500000000, -0.0005850600000000, 0.0030770400000000 ] - [ 0.0003562400000000, 0.0002852900000000, -0.0010845700000000 ] - [ 0.0002772100000000, -0.0000273600000000, -0.0013726700000000 ] - [ 0.0000000000000000, 0.0000996500000000, 0.0001172000000000 ] - [ 0.0000000000000000, 0.0000552800000000, 0.0000521200000000 ] - [ 0.0000000000000000, -0.0000225300000000, -0.0002119900000000 ] - [ 0.0000000000000000, 0.0000791600000000, -0.0001372600000000 ] - [ 0.0000000000000000, -0.0001662600000000, 0.0001744800000000 ] - [ 0.0000000000000000, -0.0000206900000000, 0.0002677000000000 ] - [ 0.0000000000000000, 0.0000652100000000, -0.0002916800000000 ] - [ 0.0000000000000000, -0.0000355700000000, -0.0003647500000000 ] - [ -0.0003205900000000, -0.0001073800000000, 0.0002871000000000 ] - [ -0.0000605400000000, -0.0000321100000000, 0.0003550600000000 ] - [ 0.0004088200000000, 0.0001434900000000, -0.0002946900000000 ] - [ 0.0002031400000000, -0.0000160500000000, -0.0001846600000000 ] - [ -0.0002409600000000, 0.0000030800000000, 0.0006297300000000 ] - [ -0.0001192900000000, -0.0000285200000000, 0.0003795600000000 ] - [ 0.0002649800000000, 0.0000138500000000, -0.0005061800000000 ] - [ 0.0001431300000000, -0.0000273300000000, -0.0003231800000000 ] - [ 0.0003205900000000, -0.0001073800000000, 0.0002871000000000 ] - [ 0.0000605400000000, -0.0000321100000000, 0.0003550600000000 ] - [ -0.0004088200000000, 0.0001434900000000, -0.0002946900000000 ] - [ -0.0002031400000000, -0.0000160500000000, -0.0001846600000000 ] - [ 0.0002409600000000, 0.0000030800000000, 0.0006297300000000 ] - [ 0.0001192900000000, -0.0000285200000000, 0.0003795600000000 ] - [ -0.0002649800000000, 0.0000138500000000, -0.0005061800000000 ] - [ -0.0001431300000000, -0.0000273300000000, -0.0003231800000000 ] - [ -0.0008059200000000, -0.0001503900000000, -0.0011231000000000 ] - [ -0.0049286600000000, -0.0006901300000000, -0.0014639500000000 ] - [ 0.0002674500000000, 0.0001100400000000, 0.0012970200000000 ] - [ 0.0009241300000000, -0.0000298900000000, 0.0021923400000000 ] - [ 0.0037482900000000, 0.0004861100000000, -0.0008134200000000 ] - [ 0.0022262500000000, -0.0004155000000000, -0.0011048800000000 ] - [ -0.0020685800000000, -0.0005023700000000, 0.0012191200000000 ] - [ -0.0011294000000000, 0.0003328400000000, 0.0007156700000000 ] - [ 0.0000000000000000, 0.0075625300000000, -0.2311762200000000 ] - [ 0.0000000000000000, -0.0006624900000000, -0.0025412800000000 ] - [ 0.0000000000000000, -0.0001482200000000, 0.0107068200000000 ] - [ 0.0000000000000000, -0.0000234900000000, 0.0016744800000000 ] - [ 0.0000000000000000, -0.0112993500000000, 0.0160288700000000 ] - [ 0.0000000000000000, 0.0021402000000000, 0.0010885500000000 ] - [ 0.0000000000000000, 0.0227544800000000, 0.0159573500000000 ] - [ 0.0000000000000000, -0.0035878300000000, 0.0011000300000000 ] - [ -0.0037482900000000, 0.0004861100000000, -0.0008134200000000 ] - [ -0.0022262500000000, -0.0004155000000000, -0.0011048800000000 ] - [ 0.0020685800000000, -0.0005023700000000, 0.0012191200000000 ] - [ 0.0011294000000000, 0.0003328400000000, 0.0007156700000000 ] - [ 0.0008059200000000, -0.0001503900000000, -0.0011231000000000 ] - [ 0.0049286600000000, -0.0006901300000000, -0.0014639500000000 ] - [ -0.0002674500000000, 0.0001100400000000, 0.0012970200000000 ] - [ -0.0009241300000000, -0.0000298900000000, 0.0021923400000000 ] - [ 0.0000000000000000, -0.0001732700000000, -0.0000544100000000 ] - [ 0.0000000000000000, -0.0000309600000000, 0.0000173800000000 ] - [ 0.0000000000000000, 0.0001623300000000, 0.0000183200000000 ] - [ 0.0000000000000000, -0.0000348800000000, -0.0000524400000000 ] - [ 0.0000000000000000, 0.0000268700000000, -0.0002927200000000 ] - [ 0.0000000000000000, 0.0000602100000000, -0.0002984700000000 ] - [ 0.0000000000000000, -0.0000098400000000, 0.0003399600000000 ] - [ 0.0000000000000000, -0.0000939800000000, 0.0003814600000000 ] - [ 0.0006981700000000, -0.0008455200000000, 0.0007073700000000 ] - [ 0.0086002000000000, 0.0026048900000000, 0.0076193900000000 ] - [ -0.0008054500000000, 0.0012957100000000, -0.0006205500000000 ] - [ -0.0190892100000000, -0.0062271600000000, 0.0077837900000000 ] - [ -0.0039326600000000, -0.0014763300000000, -0.0080348500000000 ] - [ -0.0009901900000000, 0.0022411300000000, -0.0025478400000000 ] - [ 0.0008799900000000, 0.0004731300000000, 0.0034101700000000 ] - [ 0.0002400500000000, -0.0004694600000000, 0.0018929300000000 ] - [ 0.0039326600000000, -0.0014763300000000, -0.0080348500000000 ] - [ 0.0009901900000000, 0.0022411300000000, -0.0025478400000000 ] - [ -0.0008799900000000, 0.0004731300000000, 0.0034101700000000 ] - [ -0.0002400500000000, -0.0004694600000000, 0.0018929300000000 ] - [ -0.0006981700000000, -0.0008455200000000, 0.0007073700000000 ] - [ -0.0086002000000000, 0.0026048900000000, 0.0076193900000000 ] - [ 0.0008054500000000, 0.0012957100000000, -0.0006205500000000 ] - [ 0.0190892100000000, -0.0062271600000000, 0.0077837900000000 ] - [ -0.0003426100000000, -0.0000107400000000, -0.0008823900000000 ] - [ -0.0002571500000000, 0.0001747200000000, -0.0004110900000000 ] - [ 0.0003241300000000, 0.0000912700000000, 0.0008030400000000 ] - [ 0.0002326800000000, -0.0001190900000000, 0.0005776000000000 ] - [ 0.0006486400000000, 0.0001599900000000, 0.0004928100000000 ] - [ 0.0002804600000000, -0.0000936500000000, 0.0002562700000000 ] - [ -0.0009745200000000, -0.0002331500000000, -0.0004686700000000 ] - [ -0.0003789400000000, 0.0001105100000000, -0.0002843700000000 ] - [ -0.0006486400000000, 0.0001599900000000, 0.0004928100000000 ] - [ -0.0002804600000000, -0.0000936500000000, 0.0002562700000000 ] - [ 0.0009745200000000, -0.0002331500000000, -0.0004686700000000 ] - [ 0.0003789400000000, 0.0001105100000000, -0.0002843700000000 ] - [ 0.0003426100000000, -0.0000107400000000, -0.0008823900000000 ] - [ 0.0002571500000000, 0.0001747200000000, -0.0004110900000000 ] - [ -0.0003241300000000, 0.0000912700000000, 0.0008030400000000 ] - [ -0.0002326800000000, -0.0001190900000000, 0.0005776000000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0023717300000000, -0.0003061500000000, -0.0000032900000000 ] - [ -0.0006018200000000, 0.0001954200000000, -0.0001146200000000 ] - [ 0.0018243200000000, 0.0005066600000000, 0.0013412200000000 ] - [ 0.0006856900000000, -0.0003057400000000, 0.0004832600000000 ] - [ -0.0013191400000000, -0.0007080600000000, -0.0035363800000000 ] - [ -0.0002380900000000, -0.0001742900000000, -0.0012723400000000 ] - [ 0.0004920900000000, 0.0001230700000000, 0.0017523100000000 ] - [ 0.0002124700000000, 0.0001459500000000, 0.0008263000000000 ] - [ 0.0013191400000000, -0.0007080600000000, -0.0035363800000000 ] - [ 0.0002380900000000, -0.0001742900000000, -0.0012723400000000 ] - [ -0.0004920900000000, 0.0001230700000000, 0.0017523100000000 ] - [ -0.0002124700000000, 0.0001459500000000, 0.0008263000000000 ] - [ 0.0023717300000000, -0.0003061500000000, -0.0000032900000000 ] - [ 0.0006018200000000, 0.0001954200000000, -0.0001146200000000 ] - [ -0.0018243200000000, 0.0005066600000000, 0.0013412200000000 ] - [ -0.0006856900000000, -0.0003057400000000, 0.0004832600000000 ] - [ 0.0000000000000000, -0.0169092500000000, -0.1088717200000000 ] - [ 0.0000000000000000, -0.0005186300000000, -0.0014768800000000 ] - [ 0.0000000000000000, -0.0001929400000000, 0.0108810500000000 ] - [ 0.0000000000000000, 0.0002860300000000, 0.0010412700000000 ] - [ 0.0000000000000000, 0.0380109600000000, -0.0444139600000000 ] - [ 0.0000000000000000, 0.0011973800000000, -0.0009774500000000 ] - [ 0.0000000000000000, 0.0018568200000000, 0.0089310100000000 ] - [ 0.0000000000000000, -0.0006216100000000, 0.0012418500000000 ] - [ 0.0008488400000000, -0.0009827000000000, -0.0012431000000000 ] - [ -0.0214977300000000, -0.0103688000000000, -0.0282539600000000 ] - [ -0.0001584500000000, 0.0002961800000000, 0.0011759300000000 ] - [ -0.0006067300000000, -0.0002372100000000, 0.0040952300000000 ] - [ 0.0060958800000000, 0.0075565400000000, 0.0009661800000000 ] - [ 0.0023627400000000, -0.0031962100000000, -0.0001059300000000 ] - [ -0.0028833100000000, -0.0022643500000000, 0.0030856000000000 ] - [ -0.0010662200000000, 0.0012129300000000, 0.0012524200000000 ] - [ -0.0008488400000000, -0.0009827000000000, -0.0012431000000000 ] - [ 0.0214977300000000, -0.0103688000000000, -0.0282539600000000 ] - [ 0.0001584500000000, 0.0002961800000000, 0.0011759300000000 ] - [ 0.0006067300000000, -0.0002372100000000, 0.0040952300000000 ] - [ -0.0060958800000000, 0.0075565400000000, 0.0009661800000000 ] - [ -0.0023627400000000, -0.0031962100000000, -0.0001059300000000 ] - [ 0.0028833100000000, -0.0022643500000000, 0.0030856000000000 ] - [ 0.0010662200000000, 0.0012129300000000, 0.0012524200000000 ] - [ -0.0002266000000000, 0.0002546700000000, -0.0016392200000000 ] - [ 0.0009719400000000, 0.0006403000000000, -0.0031684300000000 ] - [ 0.0003945700000000, -0.0002389100000000, 0.0010158900000000 ] - [ 0.0003090800000000, 0.0000712200000000, 0.0013029200000000 ] - [ -0.0008485100000000, -0.0006295500000000, -0.0001992000000000 ] - [ -0.0007926100000000, 0.0004551000000000, -0.0000639100000000 ] - [ 0.0010149200000000, 0.0006665200000000, 0.0006337100000000 ] - [ 0.0015655200000000, -0.0009463300000000, 0.0010285700000000 ] - [ 0.0008485100000000, -0.0006295500000000, -0.0001992000000000 ] - [ 0.0007926100000000, 0.0004551000000000, -0.0000639100000000 ] - [ -0.0010149200000000, 0.0006665200000000, 0.0006337100000000 ] - [ -0.0015655200000000, -0.0009463300000000, 0.0010285700000000 ] - [ 0.0002266000000000, 0.0002546700000000, -0.0016392200000000 ] - [ -0.0009719400000000, 0.0006403000000000, -0.0031684300000000 ] - [ -0.0003945700000000, -0.0002389100000000, 0.0010158900000000 ] - [ -0.0003090800000000, 0.0000712200000000, 0.0013029200000000 ] - [ 0.0000000000000000, -0.0000083900000000, -0.0002158500000000 ] - [ 0.0000000000000000, 0.0000377400000000, -0.0001497300000000 ] - [ 0.0000000000000000, 0.0001154400000000, 0.0001117100000000 ] - [ 0.0000000000000000, 0.0000134800000000, 0.0000380100000000 ] - [ 0.0000000000000000, 0.0000717400000000, -0.0002760700000000 ] - [ 0.0000000000000000, -0.0000713200000000, -0.0003697700000000 ] - [ 0.0000000000000000, -0.0001591500000000, 0.0001934200000000 ] - [ 0.0000000000000000, -0.0000576300000000, 0.0002662500000000 ] - [ 0.0003368600000000, 0.0001391600000000, -0.0002188000000000 ] - [ 0.0000763500000000, 0.0000656000000000, -0.0002871700000000 ] - [ -0.0003924500000000, -0.0001091300000000, 0.0003692800000000 ] - [ -0.0001868400000000, 0.0000484200000000, 0.0002582900000000 ] - [ 0.0002255300000000, -0.0000360800000000, -0.0005582600000000 ] - [ 0.0001031700000000, -0.0000046800000000, -0.0003096800000000 ] - [ -0.0002848100000000, -0.0000464100000000, 0.0005772700000000 ] - [ -0.0001617100000000, -0.0000056800000000, 0.0003953200000000 ] - [ -0.0003368600000000, 0.0001391600000000, -0.0002188000000000 ] - [ -0.0000763500000000, 0.0000656000000000, -0.0002871700000000 ] - [ 0.0003924500000000, -0.0001091300000000, 0.0003692800000000 ] - [ 0.0001868400000000, 0.0000484200000000, 0.0002582900000000 ] - [ -0.0002255300000000, -0.0000360800000000, -0.0005582600000000 ] - [ -0.0001031700000000, -0.0000046800000000, -0.0003096800000000 ] - [ 0.0002848100000000, -0.0000464100000000, 0.0005772700000000 ] - [ 0.0001617100000000, -0.0000056800000000, 0.0003953200000000 ] - [ 0.0008142300000000, 0.0001528400000000, 0.0011855100000000 ] - [ 0.0049736400000000, 0.0006911200000000, 0.0015195200000000 ] - [ -0.0002681800000000, -0.0001080800000000, -0.0012376600000000 ] - [ -0.0009338900000000, 0.0000313300000000, -0.0021314400000000 ] - [ -0.0037605800000000, -0.0004842000000000, 0.0008875300000000 ] - [ -0.0022346800000000, 0.0004151200000000, 0.0011767300000000 ] - [ 0.0020666100000000, 0.0004989800000000, -0.0011671300000000 ] - [ 0.0011222900000000, -0.0003325500000000, -0.0006632300000000 ] - [ 0.0000000000000000, -0.0039378100000000, 0.2398796200000000 ] - [ 0.0000000000000000, 0.0006588300000000, 0.0025683900000000 ] - [ 0.0000000000000000, 0.0001523400000000, -0.0106016500000000 ] - [ 0.0000000000000000, 0.0000176100000000, -0.0016627500000000 ] - [ 0.0000000000000000, 0.0111075700000000, -0.0160171600000000 ] - [ 0.0000000000000000, -0.0021174100000000, -0.0010944800000000 ] - [ 0.0000000000000000, -0.0227955800000000, -0.0160881800000000 ] - [ 0.0000000000000000, 0.0036081700000000, -0.0010818500000000 ] - [ 0.0037605800000000, -0.0004842000000000, 0.0008875300000000 ] - [ 0.0022346800000000, 0.0004151200000000, 0.0011767300000000 ] - [ -0.0020666100000000, 0.0004989800000000, -0.0011671300000000 ] - [ -0.0011222900000000, -0.0003325500000000, -0.0006632300000000 ] - [ -0.0008142300000000, 0.0001528400000000, 0.0011855100000000 ] - [ -0.0049736400000000, 0.0006911200000000, 0.0015195200000000 ] - [ 0.0002681800000000, -0.0001080800000000, -0.0012376600000000 ] - [ 0.0009338900000000, 0.0000313300000000, -0.0021314400000000 ] - [ 0.0000000000000000, 0.0001659900000000, 0.0000678500000000 ] - [ 0.0000000000000000, 0.0000238400000000, -0.0000040600000000 ] - [ 0.0000000000000000, -0.0001696700000000, -0.0000023500000000 ] - [ 0.0000000000000000, 0.0000267400000000, 0.0000694300000000 ] - [ 0.0000000000000000, -0.0000194100000000, 0.0003084100000000 ] - [ 0.0000000000000000, -0.0000531000000000, 0.0003131700000000 ] - [ 0.0000000000000000, 0.0000187000000000, -0.0003268100000000 ] - [ 0.0000000000000000, 0.0001023300000000, -0.0003683000000000 ] - [ -0.0006371600000000, 0.0008712800000000, -0.0007021700000000 ] - [ -0.0084184500000000, -0.0025558900000000, -0.0075554600000000 ] - [ 0.0008703200000000, -0.0012767900000000, 0.0006406200000000 ] - [ 0.0192768500000000, 0.0062674000000000, -0.0078463200000000 ] - [ 0.0039398700000000, 0.0015190900000000, 0.0080504000000000 ] - [ 0.0009543800000000, -0.0022956600000000, 0.0025571000000000 ] - [ -0.0009466600000000, -0.0005025900000000, -0.0033979700000000 ] - [ -0.0003057700000000, 0.0004524700000000, -0.0018801600000000 ] - [ -0.0039398700000000, 0.0015190900000000, 0.0080504000000000 ] - [ -0.0009543800000000, -0.0022956600000000, 0.0025571000000000 ] - [ 0.0009466600000000, -0.0005025900000000, -0.0033979700000000 ] - [ 0.0003057700000000, 0.0004524700000000, -0.0018801600000000 ] - [ 0.0006371600000000, 0.0008712800000000, -0.0007021700000000 ] - [ 0.0084184500000000, -0.0025558900000000, -0.0075554600000000 ] - [ -0.0008703200000000, -0.0012767900000000, 0.0006406200000000 ] - [ -0.0192768500000000, 0.0062674000000000, -0.0078463200000000 ] - [ 0.0004092100000000, 0.0000340100000000, 0.0008964100000000 ] - [ 0.0003230700000000, -0.0001531100000000, 0.0004244300000000 ] - [ -0.0002641200000000, -0.0000703900000000, -0.0007912900000000 ] - [ -0.0001732900000000, 0.0001429600000000, -0.0005651400000000 ] - [ -0.0007104600000000, -0.0001834500000000, -0.0004844100000000 ] - [ -0.0003432900000000, 0.0000715600000000, -0.0002455300000000 ] - [ 0.0009136000000000, 0.0002104000000000, 0.0004873700000000 ] - [ 0.0003169400000000, -0.0001332100000000, 0.0003006400000000 ] - [ 0.0007104600000000, -0.0001834500000000, -0.0004844100000000 ] - [ 0.0003432900000000, 0.0000715600000000, -0.0002455300000000 ] - [ -0.0009136000000000, 0.0002104000000000, 0.0004873700000000 ] - [ -0.0003169400000000, -0.0001332100000000, 0.0003006400000000 ] - [ -0.0004092100000000, 0.0000340100000000, 0.0008964100000000 ] - [ -0.0003230700000000, -0.0001531100000000, 0.0004244300000000 ] - [ 0.0002641200000000, -0.0000703900000000, -0.0007912900000000 ] - [ 0.0001732900000000, 0.0001429600000000, -0.0005651400000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012142800000000, 0.0004236300000000, -0.0003859600000000 ] - [ -0.0019099400000000, -0.0003947200000000, -0.0004779100000000 ] - [ -0.0006824900000000, 0.0001698300000000, 0.0001295700000000 ] - [ -0.0011914900000000, -0.0002836800000000, 0.0003544600000000 ] - [ 0.0008959200000000, -0.0003020800000000, 0.0002306100000000 ] - [ 0.0018389800000000, -0.0001501500000000, 0.0018997800000000 ] - [ 0.0023531200000000, -0.0015122300000000, 0.0001906700000000 ] - [ 0.0088176400000000, 0.0008087200000000, -0.0003043800000000 ] - [ -0.0007062600000000, 0.0000797800000000, -0.0001959500000000 ] - [ -0.0011674500000000, -0.0002804200000000, -0.0003866200000000 ] - [ -0.0012193500000000, 0.0004221800000000, 0.0003406300000000 ] - [ -0.0021033100000000, -0.0004731300000000, 0.0003840600000000 ] - [ 0.0023333600000000, -0.0019571900000000, -0.0003040600000000 ] - [ 0.0089351600000000, 0.0006184400000000, -0.0003276800000000 ] - [ 0.0009065300000000, -0.0002516700000000, -0.0002607400000000 ] - [ 0.0017620700000000, -0.0000954100000000, -0.0019275900000000 ] - [ 0.0006951100000000, 0.0002524000000000, -0.0002172200000000 ] - [ 0.0006257900000000, 0.0000347000000000, -0.0008980400000000 ] - [ 0.0004841200000000, 0.0012615200000000, 0.0004983900000000 ] - [ 0.0225689100000000, 0.0055451000000000, -0.0048297800000000 ] - [ 0.0006097100000000, 0.0011744000000000, -0.0016084900000000 ] - [ -0.0002832400000000, -0.0038117000000000, -0.0045929700000000 ] - [ 0.0009985200000000, 0.0003297200000000, 0.0004837100000000 ] - [ 0.0008736100000000, -0.0023237700000000, 0.0036300600000000 ] - [ 0.0106879700000000, 0.0002749000000000, -0.0026460200000000 ] - [ 0.0018699700000000, 0.0003028700000000, -0.0000890300000000 ] - [ 0.0096712700000000, 0.0010888100000000, 0.0055571800000000 ] - [ 0.0016980900000000, 0.0003441800000000, 0.0002366200000000 ] - [ -0.0000235000000000, 0.0004614000000000, 0.0000241800000000 ] - [ -0.0003922000000000, -0.0004868100000000, 0.0001320800000000 ] - [ -0.0028168700000000, 0.0024453500000000, -0.0000052500000000 ] - [ -0.0028013100000000, -0.0033639600000000, -0.0004073500000000 ] - [ -0.0022111600000000, 0.0004649200000000, -0.0019792900000000 ] - [ -0.0001642000000000, -0.0002644100000000, -0.0003370100000000 ] - [ -0.0029008600000000, 0.0011880700000000, 0.0030956000000000 ] - [ -0.0000666500000000, -0.0002701100000000, 0.0003888300000000 ] - [ 0.0016894200000000, 0.0002117500000000, 0.0001667900000000 ] - [ 0.0020015200000000, -0.0004629700000000, 0.0003144800000000 ] - [ 0.0118699100000000, -0.0014393700000000, -0.0001295300000000 ] - [ 0.0074412900000000, -0.0039074200000000, -0.0002246600000000 ] - [ 0.0020314800000000, 0.0000427800000000, 0.0023318300000000 ] - [ 0.0008559900000000, 0.0003030100000000, 0.0003297900000000 ] - [ 0.0062905000000000, -0.0029467400000000, -0.0029638700000000 ] - [ 0.0012966000000000, 0.0019679600000000, -0.0003189800000000 ] - [ -0.0019869200000000, 0.0004319200000000, -0.0005337100000000 ] - [ -0.0012413800000000, -0.0004117200000000, -0.0002548200000000 ] - [ -0.0012665500000000, 0.0003065800000000, 0.0003177100000000 ] - [ -0.0007612500000000, -0.0002402500000000, 0.0000830900000000 ] - [ 0.0060532100000000, -0.0031312500000000, 0.0024938600000000 ] - [ 0.0013041900000000, 0.0021480000000000, 0.0002161800000000 ] - [ 0.0019394800000000, -0.0000946700000000, -0.0022898000000000 ] - [ 0.0008054900000000, 0.0002859400000000, -0.0003960300000000 ] - [ -0.0012114700000000, 0.0003544700000000, -0.0003590700000000 ] - [ -0.0008063900000000, -0.0001884600000000, -0.0001939700000000 ] - [ -0.0019623800000000, 0.0004593500000000, 0.0003980100000000 ] - [ -0.0011774500000000, -0.0003302100000000, 0.0002110600000000 ] - [ -0.0017836400000000, -0.0002907700000000, 0.0003924800000000 ] - [ -0.0014463600000000, 0.0004865300000000, 0.0003360700000000 ] - [ -0.0013762000000000, -0.0003767900000000, -0.0005977400000000 ] - [ -0.0012507900000000, 0.0002988400000000, -0.0003344300000000 ] - [ -0.0012299300000000, -0.0002935500000000, 0.0003660300000000 ] - [ -0.0007547300000000, 0.0000802400000000, 0.0000361300000000 ] - [ -0.0033501800000000, -0.0008177500000000, -0.0006798900000000 ] - [ -0.0012823600000000, 0.0004117600000000, -0.0002607300000000 ] - [ -0.0012816900000000, -0.0001661000000000, -0.0000537800000000 ] - [ -0.0012947600000000, -0.0001243600000000, -0.0000316400000000 ] - [ -0.0021585100000000, -0.0003229400000000, 0.0000152700000000 ] - [ -0.0021333500000000, -0.0001305800000000, -0.0000055900000000 ] - [ -0.0003673800000000, -0.0005232800000000, 0.0003409600000000 ] - [ -0.0030183400000000, 0.0004108300000000, 0.0027024100000000 ] - [ -0.0003064500000000, -0.0005362800000000, -0.0002200700000000 ] - [ -0.0025100300000000, 0.0003707300000000, -0.0022033500000000 ] - [ -0.0003062000000000, -0.0001750600000000, 0.0001627300000000 ] - [ -0.0003241000000000, 0.0004848900000000, 0.0001627800000000 ] - [ -0.0024742000000000, -0.0022993500000000, -0.0000493000000000 ] - [ -0.0031116500000000, 0.0030115500000000, -0.0000455700000000 ] - [ -0.0012939900000000, 0.0001210500000000, 0.0000029200000000 ] - [ -0.0021201200000000, 0.0001975400000000, -0.0000204900000000 ] - [ -0.0012780800000000, 0.0001313300000000, -0.0000081700000000 ] - [ -0.0021615400000000, 0.0002715900000000, -0.0001066500000000 ] - [ 0.0029328700000000, 0.0001225200000000, 0.0005673700000000 ] - [ 0.0011139600000000, 0.0000950000000000, 0.0003792000000000 ] - [ 0.0031133900000000, 0.0000703000000000, -0.0005644300000000 ] - [ 0.0010217900000000, 0.0000471200000000, -0.0003346100000000 ] - [ 0.0010362900000000, -0.0004058300000000, 0.0000145800000000 ] - [ 0.0011911700000000, 0.0003271700000000, 0.0000375700000000 ] - [ 0.0032698700000000, -0.0007480400000000, 0.0000642700000000 ] - [ 0.0029739900000000, 0.0005020500000000, 0.0000692600000000 ] - [ -0.0011822300000000, -0.0006360400000000, 0.0006729900000000 ] - [ 0.0018251100000000, 0.0002454900000000, 0.0084796800000000 ] - [ -0.0010970800000000, -0.0004179800000000, -0.0008365200000000 ] - [ 0.0048523800000000, 0.0012940500000000, -0.0190917800000000 ] - [ 0.0024355400000000, -0.0076684600000000, 0.0009800800000000 ] - [ 0.0043196200000000, 0.0189971500000000, 0.0039320000000000 ] - [ -0.0009671400000000, -0.0002470800000000, -0.0002680000000000 ] - [ -0.0011638500000000, 0.0012240400000000, -0.0009064100000000 ] - [ -0.0013534100000000, 0.0009339200000000, -0.0000117700000000 ] - [ -0.0011693100000000, -0.0008043300000000, 0.0000243100000000 ] - [ -0.0035748000000000, 0.0198204400000000, 0.0008406600000000 ] - [ -0.0015995900000000, -0.0129169700000000, 0.0004731700000000 ] - [ -0.0017894600000000, -0.0010490300000000, -0.0192541100000000 ] - [ -0.0011980500000000, -0.0001066200000000, -0.0008751400000000 ] - [ -0.0020769600000000, -0.0009094400000000, 0.0171372000000000 ] - [ -0.0011091800000000, -0.0001635300000000, 0.0008321700000000 ] - [ 0.0029861300000000, 0.0007432300000000, -0.0003731100000000 ] - [ 0.0028472400000000, -0.0007964100000000, -0.0002852400000000 ] - [ 0.0012351900000000, 0.0004659900000000, 0.0002990200000000 ] - [ 0.0012998800000000, -0.0001493700000000, 0.0002068500000000 ] - [ 0.0028904000000000, 0.0003213600000000, -0.0006759800000000 ] - [ 0.0012835500000000, -0.0002726100000000, -0.0003075900000000 ] - [ 0.0028669500000000, 0.0001591100000000, 0.0009539400000000 ] - [ 0.0012930300000000, -0.0001897100000000, 0.0003547800000000 ] - [ -0.1132138700000000, -0.0085138500000000, 0.0125177500000000 ] - [ -0.0026486500000000, -0.0002594100000000, 0.0001386300000000 ] - [ -0.0028951300000000, -0.0000184500000000, -0.0000444600000000 ] - [ -0.0012324000000000, 0.0000395500000000, 0.0000332300000000 ] - [ 0.0009438100000000, -0.0010643300000000, 0.0009445000000000 ] - [ 0.0015792000000000, 0.0009489400000000, 0.0009873800000000 ] - [ 0.0009431300000000, -0.0013122400000000, -0.0010410500000000 ] - [ 0.0015810700000000, 0.0013994200000000, -0.0012370200000000 ] - [ -0.0058183200000000, -0.0004982300000000, 0.0004033200000000 ] - [ -0.0049006700000000, -0.0004075900000000, -0.0003921700000000 ] - [ -0.0058184100000000, -0.0005431100000000, -0.0005251100000000 ] - [ -0.0049021100000000, -0.0000883100000000, 0.0001410500000000 ] - [ 0.0092197300000000, -0.0009483800000000, 0.0008865200000000 ] - [ 0.0006775800000000, 0.0003985400000000, 0.0000078100000000 ] - [ 0.0007962100000000, -0.0001160100000000, -0.0001672500000000 ] - [ 0.0001558900000000, 0.0002048500000000, 0.0000157400000000 ] - [ 0.0016958300000000, -0.0000085700000000, -0.0000282700000000 ] - [ 0.0017029200000000, 0.0000587900000000, 0.0000132500000000 ] - [ 0.0017032600000000, 0.0000071700000000, -0.0000358000000000 ] - [ 0.0016958600000000, 0.0000714300000000, -0.0001010100000000 ] - [ -0.0000484800000000, 0.0002685200000000, 0.0000544600000000 ] - [ 0.0269923200000000, -0.0033519600000000, 0.0005384800000000 ] - [ -0.0000331700000000, 0.0000861000000000, 0.0000181700000000 ] - [ -0.0000785500000000, -0.0000428900000000, 0.0000191400000000 ] - [ 0.0016000800000000, 0.0000799800000000, -0.0000456300000000 ] - [ 0.0027093500000000, -0.0001719800000000, -0.0001195800000000 ] - [ 0.0010681300000000, 0.0000251100000000, -0.0000025600000000 ] - [ 0.0016119200000000, -0.0000839700000000, -0.0000100500000000 ] - [ 0.0012994900000000, 0.0024705300000000, -0.0021098800000000 ] - [ 0.0012415400000000, -0.0019754900000000, -0.0018720600000000 ] - [ 0.0012444200000000, 0.0023507100000000, 0.0020414200000000 ] - [ 0.0012987300000000, -0.0019405400000000, 0.0019427800000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012533400000000, -0.0003841400000000, 0.0003196700000000 ] - [ 0.0019546100000000, 0.0004447600000000, 0.0004105500000000 ] - [ 0.0007205200000000, -0.0001273700000000, -0.0002016700000000 ] - [ 0.0012318400000000, 0.0003322200000000, -0.0004266300000000 ] - [ -0.0009326400000000, 0.0002602000000000, -0.0003047600000000 ] - [ -0.0018693100000000, 0.0001019800000000, -0.0019769100000000 ] - [ -0.0023800200000000, 0.0014727900000000, -0.0002574000000000 ] - [ -0.0086434300000000, -0.0010760900000000, 0.0004277800000000 ] - [ 0.0007433800000000, -0.0001250800000000, 0.0001262400000000 ] - [ 0.0012092000000000, 0.0002387400000000, 0.0003191200000000 ] - [ 0.0012597700000000, -0.0004745300000000, -0.0004143100000000 ] - [ 0.0021465300000000, 0.0004328300000000, -0.0004581200000000 ] - [ -0.0023607000000000, 0.0020036100000000, 0.0002289800000000 ] - [ -0.0087383800000000, -0.0008240300000000, 0.0000522500000000 ] - [ -0.0009425900000000, 0.0003017700000000, 0.0001901200000000 ] - [ -0.0017967300000000, 0.0001412200000000, 0.0018553000000000 ] - [ -0.0006998700000000, -0.0001663000000000, 0.0001149300000000 ] - [ -0.0006448600000000, 0.0000396000000000, 0.0007905500000000 ] - [ -0.0005057300000000, -0.0011591000000000, -0.0005937600000000 ] - [ -0.0238884100000000, -0.0060783200000000, 0.0052026200000000 ] - [ -0.0006290100000000, -0.0012575000000000, 0.0014957100000000 ] - [ 0.0002694200000000, 0.0037478000000000, 0.0045315300000000 ] - [ -0.0010082100000000, -0.0004177000000000, -0.0005814700000000 ] - [ -0.0008816200000000, 0.0022371900000000, -0.0037504800000000 ] - [ -0.0106953300000000, -0.0002459200000000, 0.0026390100000000 ] - [ -0.0018302200000000, -0.0002718500000000, 0.0001570300000000 ] - [ -0.0096966300000000, -0.0010741700000000, -0.0054584600000000 ] - [ -0.0016575300000000, -0.0003145100000000, -0.0001639600000000 ] - [ -0.0000256100000000, -0.0004928200000000, 0.0000460300000000 ] - [ 0.0003485700000000, 0.0004612700000000, -0.0000613800000000 ] - [ 0.0027821800000000, -0.0025018100000000, 0.0000765100000000 ] - [ 0.0027611700000000, 0.0033505600000000, 0.0004747800000000 ] - [ 0.0021753300000000, -0.0004434900000000, 0.0020720600000000 ] - [ 0.0001143600000000, 0.0002971300000000, 0.0004081300000000 ] - [ 0.0028650600000000, -0.0011613900000000, -0.0030441700000000 ] - [ 0.0000226600000000, 0.0003011800000000, -0.0003176600000000 ] - [ -0.0016537600000000, -0.0002319800000000, -0.0001007300000000 ] - [ -0.0019578700000000, 0.0004333000000000, -0.0002441600000000 ] - [ -0.0118471400000000, 0.0014303900000000, 0.0002060700000000 ] - [ -0.0074401600000000, 0.0038737600000000, 0.0003024200000000 ] - [ -0.0019835900000000, -0.0000001700000000, -0.0024008100000000 ] - [ -0.0008187100000000, -0.0002560900000000, -0.0004012400000000 ] - [ -0.0058959200000000, 0.0031947200000000, 0.0031195600000000 ] - [ -0.0012566900000000, -0.0019226600000000, 0.0002478900000000 ] - [ 0.0019537200000000, -0.0004803200000000, 0.0004672600000000 ] - [ 0.0012033000000000, 0.0003715000000000, 0.0001838000000000 ] - [ 0.0012296800000000, -0.0003555200000000, -0.0003928800000000 ] - [ 0.0007218100000000, 0.0001981800000000, -0.0001552400000000 ] - [ -0.0056291600000000, 0.0033103500000000, -0.0027952400000000 ] - [ -0.0012632300000000, -0.0021951500000000, -0.0002835800000000 ] - [ -0.0018950500000000, 0.0000437100000000, 0.0022154900000000 ] - [ -0.0007692600000000, -0.0003315000000000, 0.0003260100000000 ] - [ 0.0011752100000000, -0.0003137800000000, 0.0002895900000000 ] - [ 0.0007673500000000, 0.0002353100000000, 0.0001229600000000 ] - [ 0.0019292800000000, -0.0004170800000000, -0.0004744200000000 ] - [ 0.0011399700000000, 0.0003787600000000, -0.0002838100000000 ] - [ 0.0017897300000000, 0.0003739600000000, -0.0004910500000000 ] - [ 0.0014521000000000, -0.0003993100000000, -0.0004326400000000 ] - [ 0.0013827900000000, 0.0004592300000000, 0.0004916400000000 ] - [ 0.0012581600000000, -0.0002161300000000, 0.0002334800000000 ] - [ 0.0012324500000000, 0.0002031400000000, -0.0004672100000000 ] - [ 0.0007608800000000, -0.0001628300000000, -0.0001386600000000 ] - [ 0.0033340000000000, 0.0007180400000000, 0.0005703600000000 ] - [ 0.0012848400000000, -0.0004934900000000, 0.0001575000000000 ] - [ 0.0013287100000000, 0.0001929000000000, 0.0001241200000000 ] - [ 0.0013364000000000, 0.0001526600000000, 0.0001016600000000 ] - [ 0.0021994100000000, 0.0003434800000000, 0.0000549200000000 ] - [ 0.0021783100000000, 0.0001609100000000, 0.0000756800000000 ] - [ 0.0003291200000000, 0.0004987000000000, -0.0002687200000000 ] - [ 0.0029761100000000, -0.0004366800000000, -0.0026165000000000 ] - [ 0.0002690400000000, 0.0005142500000000, 0.0002894200000000 ] - [ 0.0024716700000000, -0.0003959900000000, 0.0022623400000000 ] - [ 0.0002727100000000, 0.0002000800000000, -0.0000937800000000 ] - [ 0.0002833000000000, -0.0004530300000000, -0.0000928400000000 ] - [ 0.0024373400000000, 0.0023161500000000, 0.0001197800000000 ] - [ 0.0030757300000000, -0.0029648700000000, 0.0001152800000000 ] - [ 0.0013456300000000, -0.0001504700000000, 0.0000685500000000 ] - [ 0.0021710500000000, -0.0002262800000000, 0.0000933400000000 ] - [ 0.0013281800000000, -0.0001613500000000, 0.0000776600000000 ] - [ 0.0022052300000000, -0.0002966300000000, 0.0001738600000000 ] - [ -0.0029419100000000, -0.0001231500000000, -0.0005099600000000 ] - [ -0.0011130600000000, -0.0000950300000000, -0.0003216500000000 ] - [ -0.0031188600000000, -0.0000711600000000, 0.0006300000000000 ] - [ -0.0010195100000000, -0.0000460900000000, 0.0003958800000000 ] - [ -0.0010341700000000, 0.0004091000000000, 0.0000476700000000 ] - [ -0.0011907900000000, -0.0003303500000000, 0.0000236500000000 ] - [ -0.0032821500000000, 0.0007547800000000, -0.0000033900000000 ] - [ -0.0029782500000000, -0.0005082100000000, -0.0000077800000000 ] - [ 0.0011900200000000, 0.0006150300000000, -0.0006600200000000 ] - [ -0.0017691900000000, -0.0002385300000000, -0.0085357400000000 ] - [ 0.0011060700000000, 0.0004024700000000, 0.0008456700000000 ] - [ -0.0048600700000000, -0.0013279100000000, 0.0192783500000000 ] - [ -0.0023694100000000, 0.0077266000000000, -0.0009650500000000 ] - [ -0.0043245300000000, -0.0191509100000000, -0.0039366200000000 ] - [ 0.0009796600000000, 0.0002577200000000, 0.0002816800000000 ] - [ 0.0011679800000000, -0.0012057800000000, 0.0009241100000000 ] - [ 0.0013469200000000, -0.0009311400000000, 0.0000746600000000 ] - [ 0.0011683400000000, 0.0008058600000000, 0.0000379400000000 ] - [ 0.0035022900000000, -0.0197427700000000, -0.0007841800000000 ] - [ 0.0015624400000000, 0.0128918900000000, -0.0004152100000000 ] - [ 0.0017177500000000, 0.0010493500000000, 0.0192396100000000 ] - [ 0.0011960800000000, 0.0001017300000000, 0.0009375800000000 ] - [ 0.0020290200000000, 0.0009068100000000, -0.0170148900000000 ] - [ 0.0011070900000000, 0.0001608200000000, -0.0007720900000000 ] - [ -0.0029892900000000, -0.0007463900000000, 0.0003792000000000 ] - [ -0.0028480900000000, 0.0007780700000000, 0.0002964600000000 ] - [ -0.0012430400000000, -0.0004748300000000, -0.0002868800000000 ] - [ -0.0013022400000000, 0.0001343400000000, -0.0001941800000000 ] - [ -0.0028946200000000, -0.0003005500000000, 0.0006866700000000 ] - [ -0.0012896600000000, 0.0002862300000000, 0.0003172300000000 ] - [ -0.0028696600000000, -0.0001427300000000, -0.0009312700000000 ] - [ -0.0013028700000000, 0.0002041400000000, -0.0003401000000000 ] - [ 0.1134382800000000, 0.0093491300000000, -0.0130299100000000 ] - [ 0.0027082200000000, 0.0002655900000000, -0.0001252400000000 ] - [ 0.0029521700000000, 0.0000423400000000, 0.0000691500000000 ] - [ 0.0012966500000000, -0.0000243900000000, -0.0000189400000000 ] - [ -0.0009999600000000, 0.0010554000000000, -0.0009357000000000 ] - [ -0.0016448500000000, -0.0009747000000000, -0.0009769300000000 ] - [ -0.0010016500000000, 0.0013009200000000, 0.0010638200000000 ] - [ -0.0016427100000000, -0.0014234600000000, 0.0012554200000000 ] - [ 0.0058728500000000, 0.0004372100000000, -0.0003494800000000 ] - [ 0.0049746500000000, 0.0004084100000000, 0.0004195900000000 ] - [ 0.0058740200000000, 0.0004959600000000, 0.0005000200000000 ] - [ 0.0049743000000000, 0.0000787900000000, -0.0001370200000000 ] - [ -0.0093721800000000, 0.0009623100000000, -0.0008679300000000 ] - [ -0.0007325800000000, -0.0003821900000000, 0.0000079900000000 ] - [ -0.0008555000000000, 0.0001356600000000, 0.0001819600000000 ] - [ -0.0002122900000000, -0.0001874800000000, -0.0000000500000000 ] - [ -0.0016376400000000, 0.0000296400000000, 0.0000399500000000 ] - [ -0.0016446600000000, -0.0000447600000000, -0.0000012400000000 ] - [ -0.0016435600000000, 0.0000143200000000, 0.0000530200000000 ] - [ -0.0016379200000000, -0.0000561000000000, 0.0001170800000000 ] - [ -0.0000213200000000, -0.0002885300000000, -0.0000401500000000 ] - [ -0.0266850400000000, 0.0032911200000000, -0.0005190100000000 ] - [ -0.0000318900000000, -0.0001043700000000, -0.0000025900000000 ] - [ 0.0000059200000000, 0.0000233000000000, -0.0000027700000000 ] - [ -0.0015407800000000, -0.0000976900000000, 0.0000600800000000 ] - [ -0.0026499000000000, 0.0001511500000000, 0.0001326100000000 ] - [ -0.0010081100000000, -0.0000441800000000, 0.0000176700000000 ] - [ -0.0015517400000000, 0.0000648600000000, 0.0000246300000000 ] - [ -0.0013672500000000, -0.0024517600000000, 0.0021236200000000 ] - [ -0.0013129700000000, 0.0019887300000000, 0.0018836500000000 ] - [ -0.0013104000000000, -0.0023288000000000, -0.0020225700000000 ] - [ -0.0013682100000000, 0.0019532600000000, -0.0019229700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004808900000000, -0.0005954200000000, 0.0002647100000000 ] - [ -0.0004394200000000, 0.0004727900000000, -0.0003177300000000 ] - [ 0.0001580000000000, -0.0001830700000000, -0.0000944600000000 ] - [ -0.0001429300000000, 0.0002041900000000, 0.0000629800000000 ] - [ -0.0002647300000000, -0.0013538700000000, 0.0006485800000000 ] - [ -0.0001298700000000, 0.0012882400000000, -0.0023508500000000 ] - [ -0.0021309000000000, -0.0051901900000000, -0.0020309100000000 ] - [ 0.0009599800000000, 0.0083374100000000, 0.0022817500000000 ] - [ 0.0001489700000000, -0.0002991700000000, 0.0000548500000000 ] - [ -0.0001105100000000, 0.0002903600000000, -0.0001105600000000 ] - [ 0.0004607200000000, -0.0006241200000000, -0.0003824800000000 ] - [ -0.0004965200000000, 0.0003509000000000, 0.0002263600000000 ] - [ -0.0020424200000000, -0.0052304500000000, 0.0019737000000000 ] - [ 0.0004431400000000, 0.0086671600000000, -0.0018156500000000 ] - [ -0.0003295900000000, -0.0013334600000000, -0.0007651600000000 ] - [ -0.0000194500000000, 0.0011455200000000, 0.0023431000000000 ] - [ 0.0000092300000000, -0.0008402800000000, 0.0001061000000000 ] - [ 0.0003990000000000, 0.0011327700000000, 0.0000127700000000 ] - [ 0.0018726600000000, -0.0051695400000000, -0.0011141800000000 ] - [ 0.0061954900000000, 0.0099378100000000, -0.0011513500000000 ] - [ 0.0027553900000000, -0.0029921700000000, 0.0037487000000000 ] - [ -0.0032151400000000, -0.0001413400000000, -0.0044644500000000 ] - [ 0.0010057600000000, -0.0009936900000000, -0.0013302300000000 ] - [ -0.0005418400000000, 0.0003729600000000, 0.0018125300000000 ] - [ 0.0001430800000000, 0.0089210800000000, 0.0011459900000000 ] - [ -0.0002458700000000, -0.0027340900000000, -0.0002274200000000 ] - [ 0.0007051900000000, 0.0077601800000000, -0.0005171300000000 ] - [ -0.0002802600000000, -0.0024904400000000, 0.0002028900000000 ] - [ 0.0004642400000000, 0.0003295400000000, 0.0000391700000000 ] - [ -0.0004859700000000, -0.0003302800000000, 0.0000467200000000 ] - [ 0.0048415300000000, 0.0002073000000000, -0.0000705300000000 ] - [ -0.0029281700000000, -0.0014374000000000, 0.0001719000000000 ] - [ -0.0000716400000000, 0.0016026000000000, -0.0000567500000000 ] - [ 0.0002977700000000, -0.0013940700000000, 0.0000725200000000 ] - [ -0.0007430900000000, 0.0015308100000000, 0.0010123300000000 ] - [ 0.0003227800000000, -0.0009525000000000, -0.0001792500000000 ] - [ 0.0004547200000000, 0.0003512100000000, 0.0002200800000000 ] - [ -0.0001593600000000, -0.0005000100000000, -0.0000731500000000 ] - [ -0.0042186800000000, 0.0236153700000000, 0.0004490400000000 ] - [ -0.0018991600000000, -0.0124103500000000, 0.0006429900000000 ] - [ -0.0003687800000000, 0.0011674000000000, 0.0019577000000000 ] - [ 0.0003074200000000, -0.0012897300000000, -0.0005382200000000 ] - [ -0.0032004500000000, 0.0093449400000000, -0.0038741100000000 ] - [ 0.0013952200000000, -0.0042693800000000, 0.0011254600000000 ] - [ 0.0002234100000000, 0.0008289400000000, 0.0000858900000000 ] - [ -0.0002738300000000, -0.0007169600000000, -0.0001829900000000 ] - [ -0.0000420600000000, 0.0003581100000000, 0.0000103600000000 ] - [ -0.0000641600000000, -0.0003715300000000, -0.0000301500000000 ] - [ -0.0028135100000000, 0.0090351500000000, 0.0030526700000000 ] - [ 0.0013204900000000, -0.0044232700000000, -0.0011474700000000 ] - [ -0.0003554700000000, 0.0011639300000000, -0.0019357600000000 ] - [ 0.0003173000000000, -0.0013444600000000, 0.0004732000000000 ] - [ 0.0000825800000000, 0.0003888700000000, 0.0000341000000000 ] - [ -0.0001464100000000, -0.0003791600000000, -0.0001124300000000 ] - [ 0.0002147700000000, 0.0008544100000000, -0.0002822900000000 ] - [ -0.0002560900000000, -0.0006365700000000, 0.0001793300000000 ] - [ -0.0006903600000000, 0.0006472800000000, 0.0002983600000000 ] - [ 0.0006294000000000, -0.0006416100000000, -0.0003711500000000 ] - [ -0.0004408100000000, 0.0006115100000000, -0.0001789500000000 ] - [ 0.0005427800000000, -0.0005116600000000, 0.0001130600000000 ] - [ 0.0000136600000000, 0.0004130700000000, -0.0001425700000000 ] - [ -0.0000376000000000, -0.0004895500000000, 0.0000129300000000 ] - [ -0.0000220200000000, 0.0009615100000000, -0.0000625800000000 ] - [ 0.0001211100000000, -0.0010202500000000, 0.0000880600000000 ] - [ -0.0001292500000000, -0.0000046800000000, 0.0000355000000000 ] - [ 0.0001222800000000, 0.0000475500000000, 0.0000609600000000 ] - [ -0.0003678400000000, 0.0000209300000000, -0.0000169300000000 ] - [ 0.0004272500000000, 0.0000185100000000, 0.0000484500000000 ] - [ -0.0004692800000000, -0.0015004000000000, 0.0001820200000000 ] - [ 0.0007805700000000, 0.0028706400000000, -0.0003226700000000 ] - [ -0.0004608500000000, -0.0014514000000000, -0.0000944100000000 ] - [ 0.0007593900000000, 0.0026496300000000, 0.0003739500000000 ] - [ -0.0005994500000000, -0.0001781100000000, 0.0001432500000000 ] - [ 0.0004733300000000, 0.0001273400000000, -0.0000646100000000 ] - [ -0.0025358700000000, -0.0013947800000000, -0.0000353400000000 ] - [ 0.0034911500000000, -0.0007855900000000, 0.0000621100000000 ] - [ 0.0000682500000000, -0.0004278400000000, 0.0000567400000000 ] - [ -0.0000536800000000, 0.0003916600000000, 0.0000121700000000 ] - [ 0.0000757800000000, -0.0003774200000000, 0.0000261100000000 ] - [ -0.0000467800000000, 0.0003359200000000, 0.0000427400000000 ] - [ 0.0000847500000000, -0.0007483500000000, 0.0001340700000000 ] - [ -0.0001178300000000, 0.0007483700000000, -0.0000416800000000 ] - [ 0.0003739500000000, -0.0006563500000000, -0.0000602300000000 ] - [ -0.0001544300000000, 0.0006735100000000, 0.0000936200000000 ] - [ -0.0002411900000000, -0.0001128300000000, -0.0000210100000000 ] - [ 0.0002650100000000, 0.0000938400000000, 0.0000428500000000 ] - [ -0.0018367400000000, -0.0000949800000000, 0.0000514000000000 ] - [ 0.0012111400000000, 0.0001722700000000, 0.0000359400000000 ] - [ 0.0002925600000000, 0.0031150700000000, -0.0008571900000000 ] - [ -0.0001684900000000, -0.0047271700000000, 0.0026049900000000 ] - [ 0.0000859300000000, 0.0025750300000000, 0.0013021500000000 ] - [ 0.0013642100000000, -0.0054285800000000, -0.0062794700000000 ] - [ -0.0126436600000000, 0.0101244500000000, -0.0022705800000000 ] - [ 0.0157570600000000, 0.0098881700000000, 0.0015096400000000 ] - [ -0.0006383700000000, 0.0000075400000000, 0.0004716300000000 ] - [ 0.0004537500000000, -0.0001683400000000, -0.0004813900000000 ] - [ 0.0003473800000000, 0.0005574400000000, 0.0000631400000000 ] - [ -0.0004531500000000, 0.0008452900000000, -0.0000255300000000 ] - [ 0.0217493700000000, 0.0225716200000000, 0.0004957200000000 ] - [ -0.0124414500000000, 0.0170229300000000, -0.0002261600000000 ] - [ -0.0009574900000000, -0.0142420100000000, 0.0021181100000000 ] - [ -0.0000627100000000, 0.0039586500000000, -0.0002830700000000 ] - [ -0.0013125500000000, -0.0135834900000000, -0.0021196800000000 ] - [ -0.0000325000000000, 0.0039181500000000, 0.0003392400000000 ] - [ 0.0016065200000000, -0.0007867300000000, -0.0000156200000000 ] - [ -0.0013308300000000, 0.0008957600000000, 0.0001717100000000 ] - [ 0.0004998800000000, -0.0003240200000000, 0.0000897600000000 ] - [ -0.0003727800000000, 0.0002612900000000, -0.0001228000000000 ] - [ 0.0000203000000000, -0.0008073800000000, -0.0001625100000000 ] - [ 0.0001935100000000, 0.0008615900000000, 0.0000911600000000 ] - [ 0.0001115400000000, -0.0008645700000000, 0.0002295900000000 ] - [ 0.0001830700000000, 0.0008420000000000, -0.0001123100000000 ] - [ -0.0090700300000000, -0.0968967900000000, 0.0032692200000000 ] - [ -0.0002232800000000, 0.0080031800000000, -0.0000074100000000 ] - [ -0.0000025700000000, -0.0018539500000000, -0.0001670100000000 ] - [ 0.0000653500000000, 0.0015554500000000, 0.0000125300000000 ] - [ -0.0013438100000000, -0.0004975100000000, -0.0008689200000000 ] - [ 0.0013752800000000, 0.0006673500000000, 0.0007449300000000 ] - [ -0.0010961600000000, -0.0004974200000000, 0.0008665000000000 ] - [ 0.0009307900000000, 0.0006698800000000, -0.0006888000000000 ] - [ 0.0005573900000000, 0.0041881100000000, -0.0098743500000000 ] - [ 0.0001259500000000, 0.0039887200000000, 0.0055513800000000 ] - [ 0.0005068500000000, 0.0041924200000000, 0.0102544500000000 ] - [ 0.0004455700000000, 0.0039886800000000, -0.0057851900000000 ] - [ 0.0009397100000000, -0.0032656800000000, 0.0006051000000000 ] - [ -0.0004283100000000, 0.0020095200000000, -0.0001104200000000 ] - [ 0.0000950400000000, -0.0005799800000000, -0.0001480600000000 ] - [ -0.0002307800000000, 0.0006527000000000, 0.0000369400000000 ] - [ 0.0000944800000000, 0.0000316800000000, -0.0001438900000000 ] - [ 0.0000291100000000, -0.0000202700000000, 0.0001701800000000 ] - [ 0.0000832100000000, -0.0000244100000000, 0.0001259900000000 ] - [ 0.0000136900000000, 0.0000327300000000, -0.0001296100000000 ] - [ 0.0002516000000000, 0.0029120500000000, 0.0000291300000000 ] - [ -0.0034109800000000, -0.0100963500000000, -0.0000207300000000 ] - [ 0.0000646800000000, 0.0011708300000000, 0.0000236200000000 ] - [ -0.0000681200000000, -0.0016120700000000, -0.0000345700000000 ] - [ -0.0000564100000000, 0.0006109200000000, 0.0000165200000000 ] - [ 0.0001944300000000, -0.0006312400000000, 0.0000271200000000 ] - [ -0.0000023500000000, 0.0003329400000000, 0.0000032200000000 ] - [ 0.0001077900000000, -0.0003347700000000, -0.0000183800000000 ] - [ 0.0019178000000000, 0.0013911400000000, -0.0016362100000000 ] - [ -0.0023748500000000, 0.0012939500000000, 0.0019068600000000 ] - [ 0.0019533700000000, 0.0012860800000000, 0.0016093200000000 ] - [ -0.0024948400000000, 0.0013987400000000, -0.0019549500000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004374500000000, 0.0006395700000000, -0.0003348300000000 ] - [ 0.0004754200000000, -0.0004321800000000, 0.0002446100000000 ] - [ -0.0001163000000000, 0.0002305100000000, 0.0000222400000000 ] - [ 0.0001803200000000, -0.0001624700000000, -0.0001335600000000 ] - [ 0.0002224800000000, 0.0013114900000000, -0.0007147400000000 ] - [ 0.0000982700000000, -0.0013429500000000, 0.0022741400000000 ] - [ 0.0020687000000000, 0.0051271400000000, 0.0019363900000000 ] - [ -0.0007319700000000, -0.0087006600000000, -0.0021349400000000 ] - [ -0.0001088400000000, 0.0002551100000000, -0.0001248100000000 ] - [ 0.0001482500000000, -0.0003383100000000, 0.0000408100000000 ] - [ -0.0004177100000000, 0.0005783600000000, 0.0003076200000000 ] - [ 0.0005299500000000, -0.0004019700000000, -0.0002995900000000 ] - [ 0.0019802500000000, 0.0052566600000000, -0.0020239800000000 ] - [ -0.0001772200000000, -0.0089944800000000, 0.0015010700000000 ] - [ 0.0002864700000000, 0.0013824000000000, 0.0006839900000000 ] - [ -0.0000156600000000, -0.0011073900000000, -0.0024171400000000 ] - [ -0.0000094300000000, 0.0009247900000000, -0.0002009700000000 ] - [ -0.0004101300000000, -0.0010568200000000, -0.0001212900000000 ] - [ -0.0018671000000000, 0.0052446900000000, 0.0010112400000000 ] - [ -0.0064052900000000, -0.0099256900000000, 0.0011116300000000 ] - [ -0.0027344100000000, 0.0028914600000000, -0.0038143300000000 ] - [ 0.0032377900000000, 0.0000225100000000, 0.0043893400000000 ] - [ -0.0010005300000000, 0.0009074100000000, 0.0012176200000000 ] - [ 0.0005426400000000, -0.0004799200000000, -0.0019031800000000 ] - [ -0.0000873500000000, -0.0088591800000000, -0.0011431700000000 ] - [ 0.0002960800000000, 0.0027650400000000, 0.0003111800000000 ] - [ -0.0006472100000000, -0.0077004900000000, 0.0006569400000000 ] - [ 0.0003265700000000, 0.0025206300000000, -0.0001441800000000 ] - [ -0.0005180400000000, -0.0003571500000000, 0.0000335000000000 ] - [ 0.0004312200000000, 0.0002901500000000, 0.0000280500000000 ] - [ -0.0048501700000000, -0.0002284900000000, 0.0001431800000000 ] - [ 0.0028865400000000, 0.0013846800000000, -0.0001063700000000 ] - [ 0.0000045300000000, -0.0015695400000000, 0.0001251800000000 ] - [ -0.0003403600000000, 0.0014211100000000, 0.0000016600000000 ] - [ 0.0006749100000000, -0.0014875800000000, -0.0009302600000000 ] - [ -0.0003688600000000, 0.0009818200000000, 0.0002493300000000 ] - [ -0.0004073100000000, -0.0003681200000000, -0.0001503100000000 ] - [ 0.0002095900000000, 0.0004606600000000, 0.0001449700000000 ] - [ 0.0038864200000000, -0.0218929800000000, -0.0002954900000000 ] - [ 0.0019876300000000, 0.0124940200000000, -0.0005790200000000 ] - [ 0.0004172400000000, -0.0011097500000000, -0.0020285300000000 ] - [ -0.0002730800000000, 0.0013280300000000, 0.0004706200000000 ] - [ 0.0033514800000000, -0.0091136200000000, 0.0038669500000000 ] - [ -0.0013758300000000, 0.0043063500000000, -0.0012080800000000 ] - [ -0.0002624600000000, -0.0008669400000000, -0.0001598800000000 ] - [ 0.0002379100000000, 0.0006702500000000, 0.0001093300000000 ] - [ 0.0000033900000000, -0.0003993600000000, -0.0000823700000000 ] - [ 0.0000284200000000, 0.0003229300000000, -0.0000429300000000 ] - [ 0.0029692300000000, -0.0088970400000000, -0.0031851600000000 ] - [ -0.0012989500000000, 0.0043640800000000, 0.0010864100000000 ] - [ 0.0003990700000000, -0.0011998500000000, 0.0018625300000000 ] - [ -0.0002837500000000, 0.0012923500000000, -0.0005495300000000 ] - [ -0.0001211300000000, -0.0003391300000000, -0.0001055600000000 ] - [ 0.0001104300000000, 0.0004224000000000, 0.0000394400000000 ] - [ -0.0002521000000000, -0.0008015800000000, 0.0002078700000000 ] - [ 0.0002204300000000, 0.0006794400000000, -0.0002511100000000 ] - [ 0.0006914500000000, -0.0005650200000000, -0.0003975900000000 ] - [ -0.0006273300000000, 0.0007224500000000, 0.0002726600000000 ] - [ 0.0004410000000000, -0.0005245800000000, 0.0000804000000000 ] - [ -0.0005403600000000, 0.0005914100000000, -0.0002127400000000 ] - [ -0.0000139700000000, -0.0004953300000000, 0.0000444100000000 ] - [ 0.0000373100000000, 0.0004015600000000, -0.0001123700000000 ] - [ 0.0000265800000000, -0.0010407900000000, -0.0000361400000000 ] - [ -0.0001243000000000, 0.0009303400000000, -0.0001873000000000 ] - [ 0.0001819500000000, 0.0000388600000000, 0.0000375200000000 ] - [ -0.0000756000000000, -0.0000193000000000, 0.0000103100000000 ] - [ 0.0004193300000000, 0.0000130700000000, 0.0000877000000000 ] - [ -0.0003743200000000, 0.0000120300000000, 0.0000229000000000 ] - [ 0.0004101800000000, 0.0014676400000000, -0.0001047600000000 ] - [ -0.0008332800000000, -0.0028973300000000, 0.0003948700000000 ] - [ 0.0004049900000000, 0.0014220600000000, 0.0001623800000000 ] - [ -0.0008134000000000, -0.0026797000000000, -0.0003019000000000 ] - [ 0.0005507100000000, 0.0002141200000000, -0.0000717100000000 ] - [ -0.0005228900000000, -0.0000962700000000, 0.0001361200000000 ] - [ 0.0024741600000000, 0.0014352700000000, 0.0001064500000000 ] - [ -0.0035352800000000, 0.0008064300000000, 0.0000104500000000 ] - [ -0.0000204000000000, 0.0003958400000000, 0.0000141600000000 ] - [ 0.0001038700000000, -0.0004223900000000, 0.0000589100000000 ] - [ -0.0000258800000000, 0.0003460200000000, 0.0000442000000000 ] - [ 0.0000959100000000, -0.0003668700000000, 0.0000278800000000 ] - [ -0.0000769800000000, 0.0007468300000000, -0.0000746500000000 ] - [ 0.0001136900000000, -0.0007479000000000, 0.0000987500000000 ] - [ -0.0003642900000000, 0.0006557200000000, 0.0001198500000000 ] - [ 0.0001511100000000, -0.0006681900000000, -0.0000329800000000 ] - [ 0.0002408000000000, 0.0001058400000000, 0.0000824000000000 ] - [ -0.0002638100000000, -0.0000913600000000, 0.0000155700000000 ] - [ 0.0018216800000000, 0.0000910900000000, 0.0000098200000000 ] - [ -0.0012118500000000, -0.0001644900000000, 0.0000260700000000 ] - [ -0.0002992200000000, -0.0031149800000000, 0.0008589900000000 ] - [ 0.0002238700000000, 0.0047650100000000, -0.0025579500000000 ] - [ -0.0000932100000000, -0.0025786300000000, -0.0012743000000000 ] - [ -0.0013137500000000, 0.0054495100000000, 0.0062117800000000 ] - [ 0.0125293400000000, -0.0100066600000000, 0.0022628200000000 ] - [ -0.0159685800000000, -0.0098790300000000, -0.0014889200000000 ] - [ 0.0006403200000000, -0.0000100000000000, -0.0004533300000000 ] - [ -0.0004514300000000, 0.0001918000000000, 0.0004916600000000 ] - [ -0.0003471700000000, -0.0005691900000000, -0.0000011900000000 ] - [ 0.0004539400000000, -0.0008353500000000, 0.0000865500000000 ] - [ -0.0213884700000000, -0.0222957800000000, -0.0004264700000000 ] - [ 0.0126410600000000, -0.0171549000000000, 0.0002812700000000 ] - [ 0.0008522500000000, 0.0142416300000000, -0.0019667500000000 ] - [ 0.0000703000000000, -0.0039487400000000, 0.0003271900000000 ] - [ 0.0012306400000000, 0.0135834700000000, 0.0021030800000000 ] - [ 0.0000394100000000, -0.0039107000000000, -0.0002625500000000 ] - [ -0.0016029700000000, 0.0007720500000000, 0.0000273200000000 ] - [ 0.0013278300000000, -0.0009005900000000, -0.0001584100000000 ] - [ -0.0005008400000000, 0.0003116100000000, -0.0000745200000000 ] - [ 0.0003740100000000, -0.0002677500000000, 0.0001348200000000 ] - [ -0.0000200600000000, 0.0008169600000000, 0.0001762400000000 ] - [ -0.0001898100000000, -0.0008478100000000, -0.0000777900000000 ] - [ -0.0001107400000000, 0.0008733400000000, -0.0002180400000000 ] - [ -0.0001808900000000, -0.0008284400000000, 0.0001278000000000 ] - [ 0.0087727000000000, 0.0951671000000000, -0.0033865100000000 ] - [ 0.0003012400000000, -0.0080009600000000, 0.0000192300000000 ] - [ 0.0000575200000000, 0.0018704700000000, 0.0001859000000000 ] - [ 0.0000014400000000, -0.0015368200000000, 0.0000013600000000 ] - [ 0.0012715000000000, 0.0004701000000000, 0.0008754300000000 ] - [ -0.0014446400000000, -0.0006775700000000, -0.0007326400000000 ] - [ 0.0010241500000000, 0.0004702400000000, -0.0008459200000000 ] - [ -0.0009927800000000, -0.0006746000000000, 0.0007017100000000 ] - [ -0.0004829000000000, -0.0042075400000000, 0.0097840600000000 ] - [ -0.0000447300000000, -0.0040022600000000, -0.0055831700000000 ] - [ -0.0004278800000000, -0.0042035100000000, -0.0101408600000000 ] - [ -0.0003709200000000, -0.0040033400000000, 0.0058470100000000 ] - [ -0.0009702100000000, 0.0032623900000000, -0.0005848300000000 ] - [ 0.0003521400000000, -0.0019871800000000, 0.0001250100000000 ] - [ -0.0001558900000000, 0.0005937600000000, 0.0001603800000000 ] - [ 0.0001611400000000, -0.0006327800000000, -0.0000231000000000 ] - [ -0.0000307800000000, -0.0000172600000000, 0.0001557100000000 ] - [ 0.0000365300000000, 0.0000394900000000, -0.0001571500000000 ] - [ -0.0000181300000000, 0.0000372000000000, -0.0001121100000000 ] - [ 0.0000521500000000, -0.0000149200000000, 0.0001428300000000 ] - [ -0.0003055100000000, -0.0029247100000000, -0.0000160100000000 ] - [ 0.0032320900000000, 0.0100918700000000, 0.0000330600000000 ] - [ -0.0001278300000000, -0.0011852700000000, -0.0000088400000000 ] - [ -0.0000027900000000, 0.0015941700000000, 0.0000490100000000 ] - [ 0.0001209700000000, -0.0006259100000000, -0.0000028500000000 ] - [ -0.0001281600000000, 0.0006138600000000, -0.0000131400000000 ] - [ 0.0000674200000000, -0.0003482000000000, 0.0000096500000000 ] - [ -0.0000415000000000, 0.0003198000000000, 0.0000306900000000 ] - [ -0.0019754400000000, -0.0013822500000000, 0.0016455000000000 ] - [ 0.0023036900000000, -0.0012694200000000, -0.0018907400000000 ] - [ -0.0020115500000000, -0.0012771500000000, -0.0015908500000000 ] - [ 0.0024273400000000, -0.0013751200000000, 0.0019687600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000421900000000, 0.0000179100000000, 0.0002858000000000 ] - [ -0.0002134700000000, -0.0001598700000000, 0.0007187500000000 ] - [ 0.0001192900000000, -0.0000148800000000, -0.0003232100000000 ] - [ 0.0003431500000000, 0.0002944700000000, -0.0006734600000000 ] - [ 0.0003732400000000, 0.0007504200000000, -0.0013188500000000 ] - [ 0.0017129000000000, -0.0019242800000000, -0.0044654800000000 ] - [ -0.0002013300000000, -0.0018249700000000, 0.0010781500000000 ] - [ 0.0004332200000000, 0.0018517200000000, 0.0102746400000000 ] - [ -0.0000729500000000, 0.0000166700000000, -0.0002841700000000 ] - [ -0.0003519200000000, -0.0002908400000000, -0.0005674600000000 ] - [ 0.0001298500000000, -0.0000798500000000, 0.0001915200000000 ] - [ 0.0005222100000000, 0.0002938600000000, 0.0003656400000000 ] - [ -0.0000139600000000, 0.0019967400000000, 0.0012926200000000 ] - [ -0.0007452700000000, -0.0020003900000000, 0.0106626500000000 ] - [ -0.0003244800000000, -0.0006419900000000, -0.0013408100000000 ] - [ -0.0015877300000000, 0.0018686200000000, -0.0042351000000000 ] - [ -0.0001102200000000, -0.0000365700000000, -0.0008060300000000 ] - [ -0.0015636300000000, -0.0014292200000000, -0.0049492000000000 ] - [ 0.0000006900000000, 0.0001906900000000, 0.0005527600000000 ] - [ -0.0034727300000000, -0.0002306900000000, 0.0100872700000000 ] - [ -0.0007314300000000, 0.0011071000000000, 0.0009625900000000 ] - [ -0.0039029300000000, -0.0040371800000000, 0.0008983500000000 ] - [ 0.0008415300000000, -0.0010520900000000, -0.0008043300000000 ] - [ 0.0020049200000000, 0.0026939900000000, -0.0023100700000000 ] - [ -0.0017436700000000, 0.0002581600000000, -0.0040261900000000 ] - [ -0.0002952400000000, -0.0003598300000000, 0.0000284100000000 ] - [ 0.0024700900000000, -0.0012699200000000, -0.0131182500000000 ] - [ 0.0003054300000000, 0.0003981900000000, -0.0000075500000000 ] - [ -0.0000210800000000, 0.0000940400000000, -0.0008175100000000 ] - [ -0.0000213500000000, -0.0001796200000000, -0.0009400900000000 ] - [ 0.0000110200000000, -0.0003725100000000, 0.0010797100000000 ] - [ 0.0003927500000000, 0.0009119300000000, 0.0013268900000000 ] - [ -0.0038629800000000, 0.0000818400000000, -0.0001374500000000 ] - [ -0.0004838700000000, -0.0000265100000000, -0.0000069900000000 ] - [ 0.0034261400000000, -0.0001540000000000, -0.0005573000000000 ] - [ 0.0003375700000000, 0.0000356100000000, 0.0000696800000000 ] - [ -0.0000903300000000, 0.0000741300000000, -0.0032367800000000 ] - [ -0.0000686900000000, -0.0001345200000000, -0.0018394500000000 ] - [ -0.0003013300000000, 0.0008847600000000, 0.0090616600000000 ] - [ -0.0002635300000000, 0.0007658800000000, 0.0044270000000000 ] - [ 0.0019461400000000, 0.0015279400000000, -0.0044828600000000 ] - [ 0.0002173000000000, -0.0004920800000000, -0.0010168400000000 ] - [ -0.0025012700000000, -0.0030221900000000, 0.0080969200000000 ] - [ -0.0003365700000000, 0.0018815100000000, 0.0007565700000000 ] - [ -0.0001582100000000, 0.0001157500000000, 0.0006560900000000 ] - [ -0.0000403800000000, -0.0000349400000000, 0.0003136500000000 ] - [ 0.0002695200000000, -0.0002621800000000, -0.0006214500000000 ] - [ 0.0000515500000000, 0.0000320800000000, -0.0003223700000000 ] - [ 0.0023067400000000, 0.0029941900000000, 0.0081589700000000 ] - [ 0.0002696300000000, -0.0020259600000000, 0.0008881000000000 ] - [ -0.0018076600000000, -0.0015209900000000, -0.0041923900000000 ] - [ -0.0001580600000000, 0.0004826100000000, -0.0010575500000000 ] - [ -0.0003733200000000, 0.0003032900000000, -0.0005114300000000 ] - [ -0.0001590300000000, -0.0000693400000000, -0.0003027400000000 ] - [ 0.0004040700000000, -0.0003191100000000, 0.0003382700000000 ] - [ 0.0001413200000000, 0.0001406400000000, 0.0001627200000000 ] - [ 0.0007450800000000, 0.0003565400000000, 0.0003044800000000 ] - [ 0.0004227100000000, -0.0000532600000000, 0.0003402400000000 ] - [ -0.0005655800000000, -0.0002316700000000, -0.0004597100000000 ] - [ -0.0004606300000000, 0.0002142800000000, -0.0003532200000000 ] - [ 0.0002519100000000, 0.0001454100000000, -0.0008587900000000 ] - [ 0.0000911100000000, 0.0000135500000000, -0.0003842900000000 ] - [ -0.0001549300000000, -0.0001402100000000, 0.0007474600000000 ] - [ -0.0000143700000000, -0.0001206100000000, 0.0002607300000000 ] - [ 0.0000211800000000, 0.0000314900000000, -0.0002871800000000 ] - [ 0.0000091100000000, -0.0000063500000000, -0.0002922900000000 ] - [ 0.0001209600000000, 0.0000054200000000, 0.0003462900000000 ] - [ 0.0001349100000000, 0.0000768400000000, 0.0003442100000000 ] - [ 0.0005213900000000, 0.0002895400000000, 0.0000402700000000 ] - [ 0.0028771600000000, -0.0002740100000000, -0.0009059600000000 ] - [ -0.0005097400000000, -0.0003176200000000, -0.0000265800000000 ] - [ -0.0026066400000000, 0.0002244000000000, -0.0011206000000000 ] - [ 0.0001080000000000, 0.0000544300000000, -0.0012355500000000 ] - [ 0.0001077300000000, -0.0000144700000000, -0.0013028400000000 ] - [ -0.0001428500000000, -0.0000253100000000, 0.0025038300000000 ] - [ -0.0001845700000000, 0.0000708100000000, 0.0026225900000000 ] - [ 0.0001854000000000, -0.0000225800000000, 0.0000381600000000 ] - [ 0.0004713600000000, -0.0000365400000000, 0.0000725700000000 ] - [ -0.0000622800000000, -0.0000103700000000, 0.0000490100000000 ] - [ -0.0002935500000000, -0.0000155300000000, 0.0000275500000000 ] - [ 0.0014474500000000, 0.0001151700000000, -0.0001649900000000 ] - [ 0.0002307300000000, 0.0000353700000000, -0.0000429400000000 ] - [ -0.0014047500000000, -0.0000775700000000, 0.0001915700000000 ] - [ -0.0002078900000000, -0.0000301600000000, 0.0000924300000000 ] - [ 0.0000178400000000, -0.0000222100000000, 0.0006355600000000 ] - [ 0.0000379900000000, 0.0000012100000000, 0.0006967700000000 ] - [ -0.0001475100000000, 0.0001259400000000, -0.0005351800000000 ] - [ -0.0003007100000000, -0.0000813100000000, -0.0006431500000000 ] - [ 0.0005144700000000, -0.0003043600000000, 0.0007117700000000 ] - [ 0.0118014000000000, 0.0047989800000000, 0.0075562000000000 ] - [ -0.0004226900000000, 0.0002957700000000, -0.0006315100000000 ] - [ -0.0163840700000000, -0.0060952700000000, 0.0078291700000000 ] - [ 0.0001988300000000, -0.0006594800000000, -0.0025315800000000 ] - [ 0.0019949500000000, -0.0006262100000000, -0.0080057800000000 ] - [ 0.0000352300000000, 0.0001740500000000, 0.0018917800000000 ] - [ -0.0001436100000000, 0.0004183200000000, 0.0034086700000000 ] - [ -0.0000398600000000, -0.0000784000000000, 0.0037800200000000 ] - [ -0.0000239000000000, 0.0000662000000000, 0.0035793000000000 ] - [ 0.0004204100000000, -0.0000352500000000, -0.0127782700000000 ] - [ 0.0003184300000000, -0.0001255400000000, -0.0118186800000000 ] - [ -0.0195126800000000, 0.0020439100000000, 0.0215809800000000 ] - [ -0.0003104000000000, -0.0001349600000000, 0.0005738100000000 ] - [ 0.0172537100000000, -0.0015292900000000, 0.0197244500000000 ] - [ 0.0002813500000000, 0.0000925800000000, 0.0006642100000000 ] - [ -0.0002147800000000, -0.0000497800000000, -0.0008820000000000 ] - [ -0.0001098400000000, 0.0000129500000000, -0.0004106000000000 ] - [ -0.0000192300000000, -0.0000139100000000, 0.0008026900000000 ] - [ -0.0000390900000000, -0.0000180200000000, 0.0005762900000000 ] - [ -0.0013596200000000, -0.0004531400000000, 0.0004962400000000 ] - [ -0.0004385200000000, -0.0000099900000000, 0.0002575300000000 ] - [ 0.0013644100000000, 0.0004345200000000, -0.0004739600000000 ] - [ 0.0003494700000000, -0.0000067500000000, -0.0002856800000000 ] - [ 0.0123693100000000, 0.0034361300000000, -0.0703982800000000 ] - [ 0.0001616000000000, -0.0000098200000000, -0.0014884800000000 ] - [ -0.0000199500000000, -0.0001669600000000, 0.0088573200000000 ] - [ 0.0000601700000000, 0.0000151000000000, 0.0012138300000000 ] - [ 0.0010166500000000, -0.0008616400000000, 0.0000445300000000 ] - [ 0.0012081300000000, 0.0006836000000000, 0.0001278800000000 ] - [ -0.0009742900000000, 0.0008639300000000, 0.0000365300000000 ] - [ -0.0010147000000000, -0.0007466700000000, 0.0001209500000000 ] - [ -0.0004747600000000, -0.0101539300000000, 0.0048375000000000 ] - [ 0.0001768500000000, 0.0057820700000000, 0.0025185900000000 ] - [ 0.0004165700000000, 0.0098671000000000, 0.0048535700000000 ] - [ -0.0003697900000000, -0.0055947200000000, 0.0025155700000000 ] - [ -0.0008960900000000, 0.0006037800000000, -0.0024807200000000 ] - [ -0.0000301900000000, -0.0001091100000000, -0.0004834600000000 ] - [ 0.0001348700000000, -0.0001443300000000, 0.0018502700000000 ] - [ -0.0000420300000000, 0.0000389300000000, 0.0004940000000000 ] - [ -0.0000752600000000, -0.0001270200000000, 0.0000164200000000 ] - [ -0.0000101300000000, 0.0001266400000000, -0.0000081100000000 ] - [ 0.0000412200000000, 0.0001718600000000, -0.0000105600000000 ] - [ -0.0000004100000000, -0.0001418500000000, 0.0000155400000000 ] - [ -0.0000835100000000, -0.0000323500000000, -0.0012867300000000 ] - [ -0.0006106000000000, 0.0000222000000000, -0.0090302700000000 ] - [ -0.0000434400000000, -0.0000235200000000, 0.0009819400000000 ] - [ -0.0000407400000000, 0.0000315400000000, 0.0026542600000000 ] - [ -0.0000178600000000, -0.0000182700000000, -0.0002619900000000 ] - [ -0.0000914000000000, -0.0000289200000000, -0.0005290800000000 ] - [ 0.0000236700000000, -0.0000061600000000, 0.0002857200000000 ] - [ 0.0000166500000000, 0.0000152100000000, 0.0005515000000000 ] - [ -0.0019626500000000, -0.0019496200000000, 0.0010878600000000 ] - [ -0.0020631100000000, 0.0016062500000000, 0.0010293600000000 ] - [ 0.0018432800000000, 0.0019073500000000, 0.0010241900000000 ] - [ 0.0020820200000000, -0.0016325700000000, 0.0010828400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000808000000000, 0.0000285200000000, -0.0003630700000000 ] - [ 0.0002541400000000, 0.0002063100000000, -0.0007971300000000 ] - [ -0.0000774400000000, 0.0000590600000000, 0.0002541600000000 ] - [ -0.0003020700000000, -0.0002479300000000, 0.0006053300000000 ] - [ -0.0004199100000000, -0.0008043600000000, 0.0012454800000000 ] - [ -0.0017728100000000, 0.0019002700000000, 0.0044045500000000 ] - [ 0.0001718100000000, 0.0017886600000000, -0.0011383600000000 ] - [ -0.0002511200000000, -0.0020966200000000, -0.0101068400000000 ] - [ 0.0001148900000000, -0.0000629800000000, 0.0002107500000000 ] - [ 0.0003965100000000, 0.0002488800000000, 0.0004960600000000 ] - [ -0.0000925000000000, 0.0000347600000000, -0.0002604000000000 ] - [ -0.0004863400000000, -0.0003385400000000, -0.0004351500000000 ] - [ -0.0000167600000000, -0.0019531000000000, -0.0013826500000000 ] - [ 0.0008909900000000, 0.0018869500000000, -0.0109451200000000 ] - [ 0.0002791300000000, 0.0006822900000000, 0.0012730500000000 ] - [ 0.0015296400000000, -0.0018065300000000, 0.0041632200000000 ] - [ 0.0001123700000000, 0.0001162800000000, 0.0007063600000000 ] - [ 0.0015749600000000, 0.0015197000000000, 0.0048685100000000 ] - [ -0.0000159000000000, -0.0000873500000000, -0.0006393600000000 ] - [ 0.0034173800000000, 0.0002970400000000, -0.0101328800000000 ] - [ 0.0007294600000000, -0.0011962400000000, -0.0010879400000000 ] - [ 0.0039334900000000, 0.0039919500000000, -0.0010212200000000 ] - [ -0.0008386100000000, 0.0009571200000000, 0.0007166200000000 ] - [ -0.0019881900000000, -0.0027642400000000, 0.0022285000000000 ] - [ 0.0017092200000000, -0.0001911300000000, 0.0035230500000000 ] - [ 0.0003318600000000, 0.0003965700000000, 0.0000362300000000 ] - [ -0.0024328600000000, 0.0012867100000000, 0.0133146700000000 ] - [ -0.0002711700000000, -0.0003644900000000, 0.0000864300000000 ] - [ -0.0000088000000000, -0.0001295800000000, 0.0008907600000000 ] - [ -0.0000084800000000, 0.0001518100000000, 0.0010134900000000 ] - [ -0.0000669600000000, 0.0003470700000000, -0.0010102900000000 ] - [ -0.0004390300000000, -0.0009528400000000, -0.0012669600000000 ] - [ 0.0038588300000000, -0.0000514700000000, 0.0002031500000000 ] - [ 0.0004512700000000, 0.0000600200000000, 0.0000744100000000 ] - [ -0.0034475900000000, 0.0001942800000000, 0.0006474200000000 ] - [ -0.0003698200000000, -0.0000036300000000, 0.0000084500000000 ] - [ 0.0001243700000000, -0.0001161600000000, 0.0033112300000000 ] - [ 0.0001010300000000, 0.0001097800000000, 0.0019133700000000 ] - [ 0.0003685600000000, -0.0009336600000000, -0.0090055100000000 ] - [ 0.0003054700000000, -0.0008351000000000, -0.0043593100000000 ] - [ -0.0019254200000000, -0.0014969300000000, 0.0044270400000000 ] - [ -0.0001795700000000, 0.0005418900000000, 0.0009429400000000 ] - [ 0.0027475200000000, 0.0031922200000000, -0.0079340300000000 ] - [ 0.0003792600000000, -0.0018377600000000, -0.0008259500000000 ] - [ 0.0001157100000000, -0.0001631900000000, -0.0007366600000000 ] - [ -0.0000009600000000, -0.0000090900000000, -0.0003896300000000 ] - [ -0.0003092000000000, 0.0002155700000000, 0.0005505500000000 ] - [ -0.0000920900000000, -0.0000763300000000, 0.0002526000000000 ] - [ -0.0021257300000000, -0.0029703600000000, -0.0083987300000000 ] - [ -0.0002262900000000, 0.0019839500000000, -0.0009657500000000 ] - [ 0.0018296300000000, 0.0014633800000000, 0.0041261200000000 ] - [ 0.0001949700000000, -0.0005250800000000, 0.0009911100000000 ] - [ 0.0003362200000000, -0.0002606000000000, 0.0004383200000000 ] - [ 0.0001204100000000, 0.0001159000000000, 0.0002279000000000 ] - [ -0.0004467700000000, 0.0003636400000000, -0.0004071000000000 ] - [ -0.0001843900000000, -0.0000944100000000, -0.0002342900000000 ] - [ -0.0007456200000000, -0.0002756700000000, -0.0004036800000000 ] - [ -0.0004241400000000, 0.0001380200000000, -0.0004389200000000 ] - [ 0.0005659700000000, 0.0003125500000000, 0.0003655000000000 ] - [ 0.0004638100000000, -0.0001331600000000, 0.0002606300000000 ] - [ -0.0002559300000000, -0.0002320100000000, 0.0007621300000000 ] - [ -0.0000915300000000, -0.0000955900000000, 0.0002850200000000 ] - [ 0.0001588300000000, 0.0000583300000000, -0.0008464600000000 ] - [ 0.0000135900000000, 0.0000358800000000, -0.0003584400000000 ] - [ 0.0000105800000000, -0.0000012400000000, 0.0003598100000000 ] - [ 0.0000224900000000, 0.0000387100000000, 0.0003628100000000 ] - [ -0.0000915800000000, 0.0000244400000000, -0.0002772000000000 ] - [ -0.0001010900000000, -0.0000456600000000, -0.0002741000000000 ] - [ -0.0005546600000000, -0.0003208600000000, 0.0000293500000000 ] - [ -0.0029178800000000, 0.0002454200000000, 0.0009711300000000 ] - [ 0.0004794500000000, 0.0002895100000000, 0.0000994100000000 ] - [ 0.0025710500000000, -0.0002565600000000, 0.0012015300000000 ] - [ -0.0001485900000000, -0.0000276700000000, 0.0013093200000000 ] - [ -0.0001466500000000, 0.0000513800000000, 0.0013761400000000 ] - [ 0.0001057000000000, 0.0000549100000000, -0.0024368200000000 ] - [ 0.0001499600000000, -0.0000407300000000, -0.0025558300000000 ] - [ -0.0001508700000000, -0.0000096700000000, 0.0000318000000000 ] - [ -0.0004375300000000, 0.0000061500000000, -0.0000040400000000 ] - [ 0.0000998200000000, -0.0000227000000000, 0.0000240100000000 ] - [ 0.0003313100000000, -0.0000173600000000, 0.0000457900000000 ] - [ -0.0014581300000000, -0.0001163900000000, 0.0002299300000000 ] - [ -0.0002310900000000, -0.0000343900000000, 0.0001082900000000 ] - [ 0.0014019100000000, 0.0000785300000000, -0.0001373100000000 ] - [ 0.0002081700000000, 0.0000321300000000, -0.0000356700000000 ] - [ -0.0000208600000000, 0.0000228900000000, -0.0005753200000000 ] - [ -0.0000410600000000, -0.0000026000000000, -0.0006386100000000 ] - [ 0.0001582900000000, -0.0001279300000000, 0.0005995400000000 ] - [ 0.0003069800000000, 0.0000799900000000, 0.0007049400000000 ] - [ -0.0005177500000000, 0.0002907600000000, -0.0006947100000000 ] - [ -0.0119103600000000, -0.0048501200000000, -0.0076186500000000 ] - [ 0.0004233600000000, -0.0003060200000000, 0.0006276700000000 ] - [ 0.0161914500000000, 0.0060160100000000, -0.0078015200000000 ] - [ -0.0001429200000000, 0.0006303000000000, 0.0025746100000000 ] - [ -0.0019383600000000, 0.0007143500000000, 0.0080807800000000 ] - [ -0.0000434800000000, -0.0001527200000000, -0.0018819800000000 ] - [ 0.0001399200000000, -0.0004175000000000, -0.0034006100000000 ] - [ 0.0000446200000000, 0.0000925000000000, -0.0037256800000000 ] - [ 0.0000282000000000, -0.0000840200000000, -0.0035245000000000 ] - [ -0.0005338700000000, -0.0000510900000000, 0.0128618500000000 ] - [ -0.0003638700000000, 0.0001671200000000, 0.0118960200000000 ] - [ 0.0198362000000000, -0.0020757900000000, -0.0217966100000000 ] - [ 0.0003110200000000, 0.0001338900000000, -0.0005040300000000 ] - [ -0.0169813300000000, 0.0015100100000000, -0.0194513400000000 ] - [ -0.0002810100000000, -0.0000927400000000, -0.0006150100000000 ] - [ 0.0002161500000000, 0.0000376300000000, 0.0008977800000000 ] - [ 0.0001081300000000, -0.0000238000000000, 0.0004249100000000 ] - [ 0.0000227200000000, 0.0000030400000000, -0.0007928300000000 ] - [ 0.0000425000000000, 0.0000054800000000, -0.0005670600000000 ] - [ 0.0013623200000000, 0.0004671900000000, -0.0004807500000000 ] - [ 0.0004386500000000, 0.0000226100000000, -0.0002439300000000 ] - [ -0.0013664900000000, -0.0004209500000000, 0.0004831500000000 ] - [ -0.0003525400000000, 0.0000193700000000, 0.0002987500000000 ] - [ -0.0131726900000000, -0.0032184100000000, 0.0707225800000000 ] - [ -0.0001052300000000, 0.0000204000000000, 0.0015055600000000 ] - [ 0.0000908100000000, 0.0001886900000000, -0.0088440900000000 ] - [ 0.0000050300000000, 0.0000071600000000, -0.0012030100000000 ] - [ -0.0010855400000000, 0.0008474100000000, -0.0000239100000000 ] - [ -0.0012815700000000, -0.0007105200000000, -0.0001097300000000 ] - [ 0.0009087600000000, -0.0008840700000000, -0.0000314800000000 ] - [ 0.0009518800000000, 0.0007276100000000, -0.0001170400000000 ] - [ 0.0005482500000000, 0.0102374200000000, -0.0048466200000000 ] - [ -0.0001034100000000, -0.0058528000000000, -0.0025069400000000 ] - [ -0.0003382200000000, -0.0097953800000000, -0.0048309000000000 ] - [ 0.0004395400000000, 0.0055374100000000, -0.0025095100000000 ] - [ 0.0008622100000000, -0.0005838400000000, 0.0025076600000000 ] - [ -0.0000285300000000, 0.0001294900000000, 0.0004994900000000 ] - [ -0.0002108500000000, 0.0001671700000000, -0.0018413100000000 ] - [ -0.0000247900000000, -0.0000173100000000, -0.0004812800000000 ] - [ 0.0001407300000000, 0.0001496100000000, -0.0000024300000000 ] - [ 0.0000752400000000, -0.0001071100000000, 0.0000232300000000 ] - [ 0.0000244200000000, -0.0001506800000000, 0.0000211100000000 ] - [ 0.0000652700000000, 0.0001624900000000, -0.0000044300000000 ] - [ 0.0000139400000000, 0.0000092500000000, 0.0013032000000000 ] - [ 0.0004492600000000, -0.0000350700000000, 0.0090571300000000 ] - [ -0.0000197600000000, 0.0000040400000000, -0.0009702400000000 ] - [ -0.0000148200000000, -0.0000550700000000, -0.0026451200000000 ] - [ 0.0000850100000000, -0.0000029900000000, 0.0002754900000000 ] - [ 0.0001582900000000, 0.0000078700000000, 0.0005443400000000 ] - [ 0.0000419500000000, -0.0000152300000000, -0.0002738800000000 ] - [ 0.0000484200000000, -0.0000364900000000, -0.0005402400000000 ] - [ 0.0019054000000000, 0.0019779400000000, -0.0010709800000000 ] - [ 0.0020027400000000, -0.0015895000000000, -0.0010113500000000 ] - [ -0.0019097000000000, -0.0018876300000000, -0.0010176600000000 ] - [ -0.0021490900000000, 0.0016530700000000, -0.0010761200000000 ]