# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e997ec70-4b88-4471-81b4-031cf66ffe24/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 HfB2O5 / P2_1/c (14) / materials id 559617](https://mdr.nims.go.jp/datasets/89c01544-3734-4efe-a1d9-75ddf49ce8a9) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.368629400000000, 0.000000000000000, 0.002517110000000 ] # a - [ 0.000000000000000, 6.884747590000000, 0.000000000000000 ] # b - [ -0.101393080000000, 0.000000000000000, 8.957698089999999 ] # c points: - symbol: Hf # 1 coordinates: [ 0.000707860000000, 0.111958890000000, 0.670605730000000 ] mass: 178.490000 - symbol: Hf # 2 coordinates: [ 0.999292140000000, 0.888041110000000, 0.329394270000000 ] mass: 178.490000 - symbol: Hf # 3 coordinates: [ 0.000707860000000, 0.388041110000000, 0.170605730000000 ] mass: 178.490000 - symbol: Hf # 4 coordinates: [ 0.999292140000000, 0.611958890000000, 0.829394270000000 ] mass: 178.490000 - symbol: B # 5 coordinates: [ 0.463920290000000, 0.412811420000000, 0.667200440000000 ] mass: 10.811000 - symbol: B # 6 coordinates: [ 0.536079710000000, 0.587188580000000, 0.332799560000000 ] mass: 10.811000 - symbol: B # 7 coordinates: [ 0.536079710000000, 0.912811420000000, 0.832799560000000 ] mass: 10.811000 - symbol: B # 8 coordinates: [ 0.526657590000000, 0.271697260000000, 0.923766980000000 ] mass: 10.811000 - symbol: B # 9 coordinates: [ 0.463920290000000, 0.087188580000000, 0.167200440000000 ] mass: 10.811000 - symbol: B # 10 coordinates: [ 0.473342410000000, 0.728302740000000, 0.076233020000000 ] mass: 10.811000 - symbol: B # 11 coordinates: [ 0.526657590000000, 0.228302740000000, 0.423766980000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.473342410000000, 0.771697260000000, 0.576233020000000 ] mass: 10.811000 - symbol: O # 13 coordinates: [ 0.328671670000000, 0.894507790000000, 0.151068240000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.769648080000000, 0.404154300000000, 0.968371320000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.328671670000000, 0.605492210000000, 0.651068240000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.698052720000000, 0.845049250000000, 0.691403390000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.230351920000000, 0.904154300000000, 0.531628680000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.211098880000000, 0.909167780000000, 0.819939680000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.345683490000000, 0.277304120000000, 0.555424940000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.671328330000000, 0.105492210000000, 0.848931760000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.671328330000000, 0.394507790000000, 0.348931760000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.345683490000000, 0.222695880000000, 0.055424940000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.788901120000000, 0.090832220000000, 0.180060320000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.788901120000000, 0.409167780000000, 0.680060320000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.654316510000000, 0.722695880000000, 0.444575060000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.301947280000000, 0.345049250000000, 0.808596610000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.301947280000000, 0.154950750000000, 0.308596610000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.698052720000000, 0.654950750000000, 0.191403390000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.769648080000000, 0.095845700000000, 0.468371320000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.654316510000000, 0.777304120000000, 0.944575060000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.211098880000000, 0.590832220000000, 0.319939680000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.230351920000000, 0.595845700000000, 0.031628680000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.228903252407121, 0.000000000000000, 0.002590978792809 ] # a* - [ 0.000000000000000, 0.145248607436602, 0.000000000000000 ] # b* - [ -0.000064321733092, 0.000000000000000, 0.111635095107494 ] # c*unit_cell: lattice: - [ 4.368629400000000, 0.000000000000000, 0.002517110000000 ] # a - [ 0.000000000000000, 6.884747590000000, 0.000000000000000 ] # b - [ -0.101393080000000, 0.000000000000000, 8.957698089999999 ] # c points: - symbol: Hf # 1 coordinates: [ 0.000707860000000, 0.111958890000000, 0.670605730000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.999292140000000, 0.888041110000000, 0.329394270000000 ] mass: 178.490000 reduced_to: 2 - symbol: Hf # 3 coordinates: [ 0.000707860000000, 0.388041110000000, 0.170605730000000 ] mass: 178.490000 reduced_to: 3 - symbol: Hf # 4 coordinates: [ 0.999292140000000, 0.611958890000000, 0.829394270000000 ] mass: 178.490000 reduced_to: 4 - symbol: B # 5 coordinates: [ 0.463920290000000, 0.412811420000000, 0.667200440000000 ] mass: 10.811000 reduced_to: 5 - symbol: B # 6 coordinates: [ 0.536079710000000, 0.587188580000000, 0.332799560000000 ] mass: 10.811000 reduced_to: 6 - symbol: B # 7 coordinates: [ 0.536079710000000, 0.912811420000000, 0.832799560000000 ] mass: 10.811000 reduced_to: 7 - symbol: B # 8 coordinates: [ 0.526657590000000, 0.271697260000000, 0.923766980000000 ] mass: 10.811000 reduced_to: 8 - symbol: B # 9 coordinates: [ 0.463920290000000, 0.087188580000000, 0.167200440000000 ] mass: 10.811000 reduced_to: 9 - symbol: B # 10 coordinates: [ 0.473342410000000, 0.728302740000000, 0.076233020000000 ] mass: 10.811000 reduced_to: 10 - symbol: B # 11 coordinates: [ 0.526657590000000, 0.228302740000000, 0.423766980000000 ] mass: 10.811000 reduced_to: 11 - symbol: B # 12 coordinates: [ 0.473342410000000, 0.771697260000000, 0.576233020000000 ] mass: 10.811000 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.328671670000000, 0.894507790000000, 0.151068240000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.769648080000000, 0.404154300000000, 0.968371320000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.328671670000000, 0.605492210000000, 0.651068240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.698052720000000, 0.845049250000000, 0.691403390000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.230351920000000, 0.904154300000000, 0.531628680000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.211098880000000, 0.909167780000000, 0.819939680000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.345683490000000, 0.277304120000000, 0.555424940000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.671328330000000, 0.105492210000000, 0.848931760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.671328330000000, 0.394507790000000, 0.348931760000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.345683490000000, 0.222695880000000, 0.055424940000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.788901120000000, 0.090832220000000, 0.180060320000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.788901120000000, 0.409167780000000, 0.680060320000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.654316510000000, 0.722695880000000, 0.444575060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.301947280000000, 0.345049250000000, 0.808596610000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.301947280000000, 0.154950750000000, 0.308596610000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.698052720000000, 0.654950750000000, 0.191403390000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.769648080000000, 0.095845700000000, 0.468371320000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.654316510000000, 0.777304120000000, 0.944575060000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.211098880000000, 0.590832220000000, 0.319939680000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.230351920000000, 0.595845700000000, 0.031628680000000 ] mass: 15.999400 reduced_to: 32supercell: lattice: - [ 8.737258799999999, 0.000000000000000, 0.005034220000000 ] # a - [ 0.000000000000000, 13.769495180000000, 0.000000000000000 ] # b - [ -0.101393080000000, 0.000000000000000, 8.957698089999999 ] # c points: - symbol: Hf # 1 coordinates: [ 0.000353930000000, 0.055979445000000, 0.670605730000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 2 coordinates: [ 0.500353930000000, 0.055979445000000, 0.670605730000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 3 coordinates: [ 0.000353930000000, 0.555979445000000, 0.670605730000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 4 coordinates: [ 0.500353930000000, 0.555979445000000, 0.670605730000000 ] mass: 178.490000 reduced_to: 1 - symbol: Hf # 5 coordinates: [ 0.499646070000000, 0.444020555000000, 0.329394270000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 6 coordinates: [ 0.999646070000000, 0.444020555000000, 0.329394270000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 7 coordinates: [ 0.499646070000000, 0.944020555000000, 0.329394270000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 8 coordinates: [ 0.999646070000000, 0.944020555000000, 0.329394270000000 ] mass: 178.490000 reduced_to: 5 - symbol: Hf # 9 coordinates: [ 0.000353930000000, 0.194020555000000, 0.170605730000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 10 coordinates: [ 0.500353930000000, 0.194020555000000, 0.170605730000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 11 coordinates: [ 0.000353930000000, 0.694020555000000, 0.170605730000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 12 coordinates: [ 0.500353930000000, 0.694020555000000, 0.170605730000000 ] mass: 178.490000 reduced_to: 9 - symbol: Hf # 13 coordinates: [ 0.499646070000000, 0.305979445000000, 0.829394270000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 14 coordinates: [ 0.999646070000000, 0.305979445000000, 0.829394270000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 15 coordinates: [ 0.499646070000000, 0.805979445000000, 0.829394270000000 ] mass: 178.490000 reduced_to: 13 - symbol: Hf # 16 coordinates: [ 0.999646070000000, 0.805979445000000, 0.829394270000000 ] mass: 178.490000 reduced_to: 13 - symbol: B # 17 coordinates: [ 0.231960145000000, 0.206405710000000, 0.667200440000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.731960145000000, 0.206405710000000, 0.667200440000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 19 coordinates: [ 0.231960145000000, 0.706405710000000, 0.667200440000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 20 coordinates: [ 0.731960145000000, 0.706405710000000, 0.667200440000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 21 coordinates: [ 0.268039855000000, 0.293594290000000, 0.332799560000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.768039855000000, 0.293594290000000, 0.332799560000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 23 coordinates: [ 0.268039855000000, 0.793594290000000, 0.332799560000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 24 coordinates: [ 0.768039855000000, 0.793594290000000, 0.332799560000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 25 coordinates: [ 0.268039855000000, 0.456405710000000, 0.832799560000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.768039855000000, 0.456405710000000, 0.832799560000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 27 coordinates: [ 0.268039855000000, 0.956405710000000, 0.832799560000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 28 coordinates: [ 0.768039855000000, 0.956405710000000, 0.832799560000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 29 coordinates: [ 0.263328795000000, 0.135848630000000, 0.923766980000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.763328795000000, 0.135848630000000, 0.923766980000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 31 coordinates: [ 0.263328795000000, 0.635848630000000, 0.923766980000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 32 coordinates: [ 0.763328795000000, 0.635848630000000, 0.923766980000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 33 coordinates: [ 0.231960145000000, 0.043594290000000, 0.167200440000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 34 coordinates: [ 0.731960145000000, 0.043594290000000, 0.167200440000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 35 coordinates: [ 0.231960145000000, 0.543594290000000, 0.167200440000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 36 coordinates: [ 0.731960145000000, 0.543594290000000, 0.167200440000000 ] mass: 10.811000 reduced_to: 33 - symbol: B # 37 coordinates: [ 0.236671205000000, 0.364151370000000, 0.076233020000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 38 coordinates: [ 0.736671205000000, 0.364151370000000, 0.076233020000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 39 coordinates: [ 0.236671205000000, 0.864151370000000, 0.076233020000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 40 coordinates: [ 0.736671205000000, 0.864151370000000, 0.076233020000000 ] mass: 10.811000 reduced_to: 37 - symbol: B # 41 coordinates: [ 0.263328795000000, 0.114151370000000, 0.423766980000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.763328795000000, 0.114151370000000, 0.423766980000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.263328795000000, 0.614151370000000, 0.423766980000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 44 coordinates: [ 0.763328795000000, 0.614151370000000, 0.423766980000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 45 coordinates: [ 0.236671205000000, 0.385848630000000, 0.576233020000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.736671205000000, 0.385848630000000, 0.576233020000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.236671205000000, 0.885848630000000, 0.576233020000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 48 coordinates: [ 0.736671205000000, 0.885848630000000, 0.576233020000000 ] mass: 10.811000 reduced_to: 45 - symbol: O # 49 coordinates: [ 0.164335835000000, 0.447253895000000, 0.151068240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.664335835000000, 0.447253895000000, 0.151068240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.164335835000000, 0.947253895000000, 0.151068240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.664335835000000, 0.947253895000000, 0.151068240000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.384824040000000, 0.202077150000000, 0.968371320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.884824040000000, 0.202077150000000, 0.968371320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.384824040000000, 0.702077150000000, 0.968371320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.884824040000000, 0.702077150000000, 0.968371320000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.164335835000000, 0.302746105000000, 0.651068240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.664335835000000, 0.302746105000000, 0.651068240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.164335835000000, 0.802746105000000, 0.651068240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.664335835000000, 0.802746105000000, 0.651068240000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.349026360000000, 0.422524625000000, 0.691403390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.849026360000000, 0.422524625000000, 0.691403390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.349026360000000, 0.922524625000000, 0.691403390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.849026360000000, 0.922524625000000, 0.691403390000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.115175960000000, 0.452077150000000, 0.531628680000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.615175960000000, 0.452077150000000, 0.531628680000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.115175960000000, 0.952077150000000, 0.531628680000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.615175960000000, 0.952077150000000, 0.531628680000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.105549440000000, 0.454583890000000, 0.819939680000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.605549440000000, 0.454583890000000, 0.819939680000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.105549440000000, 0.954583890000000, 0.819939680000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.605549440000000, 0.954583890000000, 0.819939680000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.172841745000000, 0.138652060000000, 0.555424940000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.672841745000000, 0.138652060000000, 0.555424940000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.172841745000000, 0.638652060000000, 0.555424940000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.672841745000000, 0.638652060000000, 0.555424940000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.335664165000000, 0.052746105000000, 0.848931760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.835664165000000, 0.052746105000000, 0.848931760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.335664165000000, 0.552746105000000, 0.848931760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.835664165000000, 0.552746105000000, 0.848931760000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.335664165000000, 0.197253895000000, 0.348931760000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.835664165000000, 0.197253895000000, 0.348931760000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.335664165000000, 0.697253895000000, 0.348931760000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.835664165000000, 0.697253895000000, 0.348931760000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.172841745000000, 0.111347940000000, 0.055424940000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.672841745000000, 0.111347940000000, 0.055424940000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.172841745000000, 0.611347940000000, 0.055424940000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.672841745000000, 0.611347940000000, 0.055424940000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.394450560000000, 0.045416110000000, 0.180060320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.894450560000000, 0.045416110000000, 0.180060320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.394450560000000, 0.545416110000000, 0.180060320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.894450560000000, 0.545416110000000, 0.180060320000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.394450560000000, 0.204583890000000, 0.680060320000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.894450560000000, 0.204583890000000, 0.680060320000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.394450560000000, 0.704583890000000, 0.680060320000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.894450560000000, 0.704583890000000, 0.680060320000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.327158255000000, 0.361347940000000, 0.444575060000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.827158255000000, 0.361347940000000, 0.444575060000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.327158255000000, 0.861347940000000, 0.444575060000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.827158255000000, 0.861347940000000, 0.444575060000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.150973640000000, 0.172524625000000, 0.808596610000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.650973640000000, 0.172524625000000, 0.808596610000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.150973640000000, 0.672524625000000, 0.808596610000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.650973640000000, 0.672524625000000, 0.808596610000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.150973640000000, 0.077475375000000, 0.308596610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.650973640000000, 0.077475375000000, 0.308596610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.150973640000000, 0.577475375000000, 0.308596610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.650973640000000, 0.577475375000000, 0.308596610000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.349026360000000, 0.327475375000000, 0.191403390000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.849026360000000, 0.327475375000000, 0.191403390000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.349026360000000, 0.827475375000000, 0.191403390000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.849026360000000, 0.827475375000000, 0.191403390000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.384824040000000, 0.047922850000000, 0.468371320000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.884824040000000, 0.047922850000000, 0.468371320000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.384824040000000, 0.547922850000000, 0.468371320000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.884824040000000, 0.547922850000000, 0.468371320000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.327158255000000, 0.388652060000000, 0.944575060000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.827158255000000, 0.388652060000000, 0.944575060000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.327158255000000, 0.888652060000000, 0.944575060000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.827158255000000, 0.888652060000000, 0.944575060000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.105549440000000, 0.295416110000000, 0.319939680000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.605549440000000, 0.295416110000000, 0.319939680000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.105549440000000, 0.795416110000000, 0.319939680000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.605549440000000, 0.795416110000000, 0.319939680000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.115175960000000, 0.297922850000000, 0.031628680000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.615175960000000, 0.297922850000000, 0.031628680000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.115175960000000, 0.797922850000000, 0.031628680000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.615175960000000, 0.797922850000000, 0.031628680000000 ] mass: 15.999400 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ -0.2046060400000000, -0.0023273400000000, 0.0082398000000000 ] - [ 0.0368952600000000, -0.0004202900000000, -0.0014400500000000 ] - [ -0.0017727800000000, -0.0008378700000000, 0.0001918800000000 ] - [ 0.0020965000000000, -0.0007439200000000, -0.0003961500000000 ] - [ 0.0019472500000000, 0.0006360000000000, 0.0003064200000000 ] - [ -0.0029190100000000, 0.0004323900000000, 0.0002989200000000 ] - [ 0.0108893300000000, 0.0000469900000000, -0.0000343300000000 ] - [ -0.0286572000000000, 0.0111728800000000, -0.0062717900000000 ] - [ -0.0113719900000000, 0.0007696300000000, -0.0019392500000000 ] - [ 0.0097594600000000, -0.0008562000000000, -0.0004309800000000 ] - [ -0.0019083900000000, 0.0000243200000000, -0.0002220800000000 ] - [ 0.0021758900000000, 0.0006961800000000, -0.0006228400000000 ] - [ 0.0096009000000000, 0.0002356700000000, -0.0000403200000000 ] - [ -0.0210919800000000, -0.0026580900000000, -0.0038774800000000 ] - [ 0.0096147600000000, -0.0002617500000000, -0.0002643700000000 ] - [ -0.0210854200000000, -0.0044654500000000, -0.0024934300000000 ] - [ 0.0200064000000000, 0.0339763500000000, 0.0084369100000000 ] - [ 0.0172743900000000, -0.0161623400000000, -0.0012831800000000 ] - [ 0.0017162700000000, -0.0037734200000000, 0.0002450200000000 ] - [ -0.0009121400000000, 0.0037001500000000, -0.0003636000000000 ] - [ -0.0006590300000000, 0.0037066400000000, -0.0017683000000000 ] - [ 0.0016108100000000, -0.0035464600000000, 0.0011696700000000 ] - [ -0.0005600900000000, -0.0027814000000000, -0.0018593700000000 ] - [ 0.0014079500000000, 0.0023297100000000, 0.0023779700000000 ] - [ -0.0005856300000000, 0.0008658400000000, 0.0004772700000000 ] - [ 0.0003878500000000, -0.0006957700000000, -0.0002636700000000 ] - [ 0.0200035100000000, -0.0125163700000000, 0.0114755100000000 ] - [ 0.0235326600000000, 0.0274953900000000, -0.0195084000000000 ] - [ 0.0103126200000000, 0.0037129000000000, 0.0158199900000000 ] - [ 0.0119380100000000, -0.0219232800000000, -0.0180440000000000 ] - [ 0.0001427000000000, -0.0001709400000000, 0.0000503000000000 ] - [ -0.0005676100000000, 0.0001531000000000, -0.0006183100000000 ] - [ 0.0032754500000000, -0.0019426300000000, -0.0007395900000000 ] - [ -0.0001964100000000, 0.0017181500000000, -0.0014435900000000 ] - [ 0.0003058800000000, -0.0001139100000000, -0.0001695400000000 ] - [ -0.0000705700000000, -0.0003220500000000, -0.0001863500000000 ] - [ -0.0001440700000000, 0.0005353100000000, 0.0001078000000000 ] - [ 0.0011468600000000, -0.0009630100000000, 0.0001195700000000 ] - [ -0.0001959100000000, -0.0024733300000000, 0.0027093400000000 ] - [ 0.0030551700000000, 0.0024869400000000, -0.0032288600000000 ] - [ 0.0187961800000000, -0.0028230400000000, -0.0267901300000000 ] - [ 0.0131182700000000, -0.0097254000000000, 0.0182435300000000 ] - [ -0.0000736300000000, -0.0006045700000000, -0.0003378200000000 ] - [ -0.0002948900000000, 0.0001996300000000, 0.0000095800000000 ] - [ 0.0019643600000000, 0.0041498400000000, -0.0012843200000000 ] - [ 0.0003921300000000, -0.0032223000000000, 0.0013789300000000 ] - [ 0.0147409200000000, -0.0167910200000000, -0.0009847700000000 ] - [ 0.0156389300000000, 0.0119388000000000, 0.0126500100000000 ] - [ 0.0000482200000000, -0.0002586400000000, -0.0000928100000000 ] - [ -0.0003544300000000, 0.0005535700000000, 0.0001604800000000 ] - [ 0.0008323500000000, 0.0019052200000000, -0.0011047200000000 ] - [ -0.0015969100000000, -0.0011945300000000, 0.0011709500000000 ] - [ -0.0053828600000000, -0.0033417200000000, -0.0033550600000000 ] - [ 0.0068334900000000, 0.0067493400000000, 0.0060803200000000 ] - [ 0.0000076400000000, 0.0001325300000000, 0.0003593400000000 ] - [ 0.0019201200000000, -0.0000017400000000, 0.0002002400000000 ] - [ 0.0030574900000000, -0.0108890600000000, -0.0010938700000000 ] - [ -0.0042535000000000, 0.0050274200000000, 0.0004274800000000 ] - [ -0.0005344000000000, 0.0077762500000000, -0.0026303600000000 ] - [ -0.0049599100000000, -0.0056581400000000, 0.0007421400000000 ] - [ -0.0010210000000000, -0.0008795800000000, -0.0009413200000000 ] - [ 0.0005096300000000, 0.0018295400000000, 0.0001940600000000 ] - [ -0.0084065000000000, 0.0031433800000000, -0.0014647900000000 ] - [ 0.0100417400000000, -0.0070284600000000, 0.0017530600000000 ] - [ 0.0003645300000000, -0.0013639400000000, 0.0002265100000000 ] - [ -0.0018059500000000, 0.0011091400000000, -0.0008778100000000 ] - [ 0.0208257800000000, -0.0029093100000000, 0.0050948600000000 ] - [ -0.0097641100000000, 0.0004574400000000, -0.0045661100000000 ] - [ 0.0011985800000000, 0.0004932400000000, -0.0003153900000000 ] - [ -0.0006955700000000, 0.0003929700000000, 0.0003536000000000 ] - [ 0.0191412900000000, -0.0034012800000000, 0.0082225000000000 ] - [ -0.0141494000000000, -0.0040129300000000, -0.0000564700000000 ] - [ 0.0227018600000000, 0.0090363100000000, -0.0121792000000000 ] - [ -0.0093187800000000, 0.0026545600000000, -0.0024113400000000 ] - [ 0.0007707200000000, 0.0013125400000000, 0.0000702000000000 ] - [ 0.0004331300000000, -0.0006937000000000, -0.0003509900000000 ] - [ -0.0091839500000000, -0.0002209800000000, -0.0031087100000000 ] - [ 0.0204851500000000, 0.0011666100000000, -0.0114467800000000 ] - [ -0.0000045000000000, -0.0001954800000000, 0.0000391800000000 ] - [ 0.0002293900000000, 0.0001811500000000, 0.0001027600000000 ] - [ -0.0048755200000000, -0.0031113500000000, 0.0067491700000000 ] - [ 0.0004983000000000, 0.0064260200000000, -0.0051419500000000 ] - [ -0.0002432600000000, 0.0012139900000000, 0.0003459100000000 ] - [ 0.0004691900000000, -0.0009897000000000, -0.0005419500000000 ] - [ 0.0020784600000000, -0.0009060400000000, -0.0046074800000000 ] - [ -0.0046201800000000, 0.0027869600000000, 0.0062749900000000 ] - [ 0.0005447900000000, 0.0000048600000000, -0.0002512800000000 ] - [ 0.0005518400000000, -0.0000991700000000, 0.0000301900000000 ] - [ -0.0032496800000000, 0.0003243700000000, -0.0007202600000000 ] - [ 0.0032653600000000, -0.0025132000000000, -0.0000231400000000 ] - [ -0.0004748400000000, -0.0001835900000000, -0.0002595600000000 ] - [ 0.0002156600000000, 0.0000144000000000, -0.0001776400000000 ] - [ -0.0136855400000000, -0.0045484900000000, -0.0042051100000000 ] - [ 0.0125149100000000, 0.0096419400000000, 0.0038075800000000 ] - [ -0.0020572400000000, 0.0009870500000000, -0.0006832000000000 ] - [ 0.0018245800000000, -0.0009836500000000, 0.0007654500000000 ] - [ -0.0013768800000000, -0.0015062300000000, 0.0008734000000000 ] - [ -0.0001221800000000, 0.0016303200000000, -0.0007209200000000 ] - [ -0.0047625900000000, 0.0022918900000000, 0.0039113000000000 ] - [ 0.0007018000000000, -0.0039586100000000, -0.0054387600000000 ] - [ 0.0034229400000000, -0.0103211300000000, -0.0061541500000000 ] - [ -0.0097154000000000, 0.0062722700000000, 0.0008397800000000 ] - [ 0.0004206400000000, 0.0011412400000000, -0.0003488300000000 ] - [ -0.0003468700000000, -0.0003957100000000, 0.0008378600000000 ] - [ 0.0030796300000000, 0.0007628300000000, 0.0069995600000000 ] - [ -0.0042370100000000, -0.0008245300000000, -0.0030603500000000 ] - [ 0.0001464800000000, -0.0000437700000000, 0.0005295000000000 ] - [ -0.0002420100000000, -0.0002766600000000, 0.0002234900000000 ] - [ -0.0004490100000000, -0.0011306800000000, 0.0001634000000000 ] - [ 0.0005530400000000, 0.0012433900000000, -0.0007365000000000 ] - [ -0.0007546500000000, 0.0005097100000000, -0.0004234700000000 ] - [ 0.0010683600000000, -0.0007800800000000, 0.0003425700000000 ] - [ -0.0115562700000000, 0.0052359400000000, 0.0024398800000000 ] - [ 0.0320316300000000, -0.0033772600000000, 0.0249546700000000 ] - [ 0.0002323400000000, 0.0001386300000000, 0.0002691100000000 ] - [ 0.0012873700000000, -0.0000872300000000, 0.0003542100000000 ] - [ -0.0009259500000000, -0.0002970700000000, 0.0003532300000000 ] - [ -0.0002571700000000, 0.0008244500000000, -0.0002541500000000 ] - [ -0.0042858200000000, 0.0043424400000000, -0.0025568500000000 ] - [ 0.0009480400000000, -0.0082069900000000, 0.0071334300000000 ] - [ 0.0022722900000000, -0.0012477900000000, 0.0018817700000000 ] - [ -0.0020192400000000, 0.0004962200000000, -0.0006138800000000 ] - [ 0.0018433700000000, 0.0006426800000000, 0.0021203600000000 ] - [ -0.0015129100000000, -0.0004541600000000, -0.0004042700000000 ] - [ 0.0018084000000000, -0.0014789700000000, -0.0004676900000000 ] - [ -0.0023837600000000, 0.0003339400000000, -0.0004798100000000 ] - [ 0.0011641000000000, 0.0022862100000000, -0.0002896600000000 ] - [ -0.0028327700000000, -0.0015621000000000, -0.0002434700000000 ]- atom: 1 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ 0.2053622000000000, 0.0011255200000000, -0.0084990000000000 ] - [ -0.0363022700000000, -0.0008113000000000, 0.0008889900000000 ] - [ 0.0023542200000000, -0.0003503200000000, -0.0007474200000000 ] - [ -0.0015125400000000, -0.0004443100000000, -0.0001623700000000 ] - [ -0.0025327300000000, 0.0005671000000000, 0.0002497100000000 ] - [ 0.0023374500000000, 0.0007644600000000, 0.0002576300000000 ] - [ -0.0114690400000000, 0.0011060500000000, 0.0005480700000000 ] - [ 0.0280461700000000, -0.0098978500000000, 0.0069566400000000 ] - [ 0.0119462000000000, 0.0004057600000000, 0.0013738700000000 ] - [ -0.0091697700000000, 0.0020580100000000, -0.0001293000000000 ] - [ 0.0024939900000000, 0.0011800900000000, -0.0003344900000000 ] - [ -0.0015928000000000, 0.0004946400000000, 0.0000665700000000 ] - [ -0.0101890100000000, -0.0013922100000000, 0.0006163400000000 ] - [ 0.0205024900000000, 0.0013964200000000, 0.0044013300000000 ] - [ -0.0101754500000000, -0.0009751100000000, 0.0008269300000000 ] - [ 0.0205109000000000, 0.0033439700000000, 0.0030468000000000 ] - [ -0.0197606400000000, -0.0335145900000000, -0.0087324400000000 ] - [ -0.0170121200000000, 0.0166628600000000, 0.0010349400000000 ] - [ -0.0015007200000000, 0.0040239300000000, -0.0005885900000000 ] - [ 0.0011358200000000, -0.0034405000000000, 0.0000166900000000 ] - [ 0.0004296100000000, -0.0039571900000000, 0.0021147000000000 ] - [ -0.0018200900000000, 0.0033029000000000, -0.0008295100000000 ] - [ 0.0003193000000000, 0.0025234600000000, 0.0022022100000000 ] - [ -0.0016183700000000, -0.0025825900000000, -0.0020333200000000 ] - [ 0.0003591900000000, -0.0006080100000000, -0.0001316900000000 ] - [ -0.0006031200000000, 0.0009511900000000, 0.0006102600000000 ] - [ -0.0202731900000000, 0.0125702000000000, -0.0110029000000000 ] - [ -0.0237814100000000, -0.0273646400000000, 0.0200037700000000 ] - [ -0.0108761000000000, -0.0033465500000000, -0.0160903900000000 ] - [ -0.0124274800000000, 0.0221051600000000, 0.0178039100000000 ] - [ -0.0006469200000000, 0.0003744400000000, -0.0004041200000000 ] - [ 0.0000758600000000, 0.0000542800000000, 0.0002661900000000 ] - [ -0.0030719100000000, 0.0016729300000000, 0.0004018100000000 ] - [ 0.0004593800000000, -0.0019764300000000, 0.0010827500000000 ] - [ -0.0000882000000000, -0.0001385700000000, -0.0001767800000000 ] - [ 0.0002936500000000, 0.0000684100000000, -0.0001597900000000 ] - [ 0.0006327200000000, -0.0007410100000000, 0.0002437700000000 ] - [ -0.0006419700000000, 0.0007658300000000, 0.0002306200000000 ] - [ 0.0006669900000000, 0.0022684400000000, -0.0023460700000000 ] - [ -0.0025405100000000, -0.0026927000000000, 0.0035834600000000 ] - [ -0.0192577800000000, 0.0027129200000000, 0.0263161400000000 ] - [ -0.0134811500000000, 0.0094484700000000, -0.0188003900000000 ] - [ -0.0004283300000000, 0.0004026200000000, -0.0000149100000000 ] - [ -0.0002006600000000, -0.0003997100000000, -0.0003613200000000 ] - [ -0.0014691600000000, -0.0039416600000000, 0.0016331600000000 ] - [ 0.0001213100000000, 0.0034400300000000, -0.0010289100000000 ] - [ -0.0142812700000000, 0.0169007500000000, 0.0012414200000000 ] - [ -0.0151339200000000, -0.0118467700000000, -0.0122722100000000 ] - [ -0.0002279500000000, 0.0005563200000000, 0.0001044700000000 ] - [ 0.0001670900000000, -0.0002610400000000, -0.0001476800000000 ] - [ -0.0009929100000000, -0.0015985100000000, 0.0011061700000000 ] - [ 0.0014036100000000, 0.0014976900000000, -0.0011515400000000 ] - [ 0.0069367100000000, 0.0033732900000000, 0.0040937500000000 ] - [ -0.0053128700000000, -0.0067017600000000, -0.0053401600000000 ] - [ 0.0015352500000000, -0.0000687100000000, 0.0003824600000000 ] - [ -0.0003835000000000, 0.0000562100000000, 0.0005452900000000 ] - [ -0.0032329800000000, 0.0105645900000000, 0.0010894600000000 ] - [ 0.0040424900000000, -0.0053547700000000, -0.0004259200000000 ] - [ 0.0003649300000000, -0.0080562900000000, 0.0026404100000000 ] - [ 0.0047351100000000, 0.0053360800000000, -0.0007357200000000 ] - [ 0.0011070300000000, 0.0013239600000000, 0.0001869000000000 ] - [ -0.0004370700000000, -0.0013791700000000, -0.0009530500000000 ] - [ 0.0085216600000000, -0.0026441100000000, 0.0007032900000000 ] - [ -0.0105384000000000, 0.0069263700000000, -0.0024837700000000 ] - [ -0.0019044500000000, 0.0014229700000000, -0.0009686000000000 ] - [ 0.0002647600000000, -0.0010544400000000, 0.0001353800000000 ] - [ -0.0220019600000000, 0.0024835700000000, -0.0062650000000000 ] - [ 0.0082111000000000, -0.0003582200000000, 0.0038534300000000 ] - [ -0.0009198700000000, -0.0001165900000000, 0.0007100900000000 ] - [ 0.0009649100000000, -0.0000265600000000, 0.0000422500000000 ] - [ -0.0187296500000000, 0.0033559000000000, -0.0073969800000000 ] - [ 0.0143680600000000, 0.0044192600000000, 0.0004291400000000 ] - [ -0.0202634000000000, -0.0077219800000000, 0.0108358400000000 ] - [ 0.0105101100000000, -0.0024955900000000, 0.0022598000000000 ] - [ 0.0003485800000000, -0.0010511300000000, -0.0003344100000000 ] - [ 0.0006802000000000, 0.0009500600000000, 0.0000853900000000 ] - [ 0.0093009200000000, -0.0000702000000000, 0.0029731200000000 ] - [ -0.0215213400000000, -0.0014974000000000, 0.0129164100000000 ] - [ 0.0001900600000000, -0.0001046000000000, -0.0000519600000000 ] - [ -0.0000506600000000, -0.0004797700000000, -0.0001141100000000 ] - [ 0.0050806300000000, 0.0033988600000000, -0.0067737500000000 ] - [ -0.0003447100000000, -0.0061269500000000, 0.0051568100000000 ] - [ 0.0004263800000000, -0.0009146500000000, -0.0003576300000000 ] - [ -0.0002903200000000, 0.0012852800000000, 0.0005322500000000 ] - [ -0.0009359800000000, 0.0006399700000000, 0.0043204500000000 ] - [ 0.0057006600000000, -0.0030256000000000, -0.0065221700000000 ] - [ 0.0005740900000000, -0.0002676400000000, -0.0000156100000000 ] - [ 0.0005612100000000, -0.0001638300000000, -0.0002940900000000 ] - [ 0.0029829900000000, -0.0006959300000000, 0.0003239100000000 ] - [ -0.0035530200000000, 0.0021590700000000, -0.0004055800000000 ] - [ 0.0002026100000000, -0.0001901900000000, -0.0001363200000000 ] - [ -0.0004889900000000, -0.0003908500000000, -0.0002185200000000 ] - [ 0.0134480100000000, 0.0048761700000000, 0.0037940700000000 ] - [ -0.0130094100000000, -0.0089807600000000, -0.0041440100000000 ] - [ 0.0017837000000000, -0.0006122700000000, 0.0002883800000000 ] - [ -0.0021016300000000, 0.0013482400000000, -0.0011685000000000 ] - [ 0.0002627100000000, 0.0012420000000000, -0.0006078400000000 ] - [ -0.0009967400000000, -0.0018948800000000, 0.0009886300000000 ] - [ 0.0036912600000000, -0.0025473100000000, -0.0036412400000000 ] - [ -0.0018365600000000, 0.0036967500000000, 0.0057232000000000 ] - [ -0.0031637100000000, 0.0109967400000000, 0.0070797100000000 ] - [ 0.0095909200000000, -0.0058381200000000, -0.0001149700000000 ] - [ -0.0004978100000000, -0.0006964500000000, 0.0011016700000000 ] - [ 0.0002604000000000, 0.0008448000000000, -0.0000823100000000 ] - [ -0.0031390500000000, -0.0011953400000000, -0.0062256700000000 ] - [ 0.0041238000000000, 0.0003892800000000, 0.0038458000000000 ] - [ -0.0002269000000000, -0.0004087100000000, 0.0002249600000000 ] - [ 0.0001570700000000, -0.0001752500000000, 0.0005301900000000 ] - [ 0.0005361200000000, 0.0006779900000000, -0.0009172500000000 ] - [ -0.0004759300000000, -0.0016924200000000, -0.0000131700000000 ] - [ 0.0008457900000000, -0.0009544900000000, -0.0003333700000000 ] - [ -0.0009964700000000, 0.0003246000000000, -0.0011000300000000 ] - [ 0.0130997700000000, -0.0052848800000000, -0.0016558200000000 ] - [ -0.0308326600000000, 0.0032277700000000, -0.0254305600000000 ] - [ 0.0013105600000000, -0.0002016900000000, 0.0004745200000000 ] - [ 0.0002539000000000, 0.0000237900000000, 0.0003871700000000 ] - [ -0.0001844500000000, 0.0005534600000000, -0.0000902500000000 ] - [ -0.0008683600000000, -0.0005606800000000, 0.0005230100000000 ] - [ 0.0031999300000000, -0.0040590600000000, 0.0028032800000000 ] - [ -0.0020722500000000, 0.0084740500000000, -0.0068727300000000 ] - [ -0.0019951200000000, 0.0008766400000000, -0.0014834000000000 ] - [ 0.0022904800000000, -0.0008762300000000, 0.0010164900000000 ] - [ -0.0015580100000000, -0.0010338400000000, -0.0017292900000000 ] - [ 0.0017783400000000, 0.0000876700000000, 0.0008026200000000 ] - [ -0.0033435400000000, 0.0014166000000000, -0.0002611500000000 ] - [ 0.0008368900000000, -0.0003973700000000, -0.0002692200000000 ] - [ -0.0026955700000000, -0.0023511400000000, -0.0004449100000000 ] - [ 0.0012845800000000, 0.0015025700000000, -0.0005047100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020444400000000, -0.2253640000000000, 0.0075759200000000 ] - [ 0.0005006700000000, -0.0237854000000000, 0.0030683300000000 ] - [ 0.0000487700000000, 0.0123068700000000, -0.0009639700000000 ] - [ 0.0001426200000000, 0.0095359500000000, -0.0006995900000000 ] - [ -0.0002573400000000, 0.0072761700000000, -0.0010560200000000 ] - [ -0.0004535500000000, 0.0089211900000000, -0.0016286500000000 ] - [ -0.0008159000000000, -0.0088794500000000, 0.0039007500000000 ] - [ 0.0101722300000000, -0.0101849700000000, 0.0289168100000000 ] - [ 0.0000968400000000, -0.0069548600000000, 0.0037742200000000 ] - [ 0.0017615100000000, -0.0048624300000000, 0.0012498900000000 ] - [ 0.0008723300000000, 0.0089973200000000, -0.0017542200000000 ] - [ 0.0001910500000000, 0.0068386000000000, -0.0009906800000000 ] - [ -0.0006580500000000, 0.0048705200000000, 0.0047608600000000 ] - [ 0.0036423800000000, 0.0307245400000000, 0.0225553900000000 ] - [ -0.0010970500000000, 0.0048946400000000, -0.0022629800000000 ] - [ 0.0017349100000000, 0.0305020500000000, -0.0136492600000000 ] - [ 0.0264485800000000, 0.0202046700000000, -0.0003321000000000 ] - [ -0.0365817100000000, 0.0009981700000000, -0.0031775800000000 ] - [ -0.0021212900000000, 0.0085167500000000, 0.0003161400000000 ] - [ 0.0015285600000000, 0.0060891300000000, 0.0002301100000000 ] - [ 0.0013700600000000, 0.0012907500000000, -0.0011359600000000 ] - [ -0.0014770100000000, 0.0003768500000000, -0.0014792800000000 ] - [ -0.0012803400000000, 0.0039103200000000, 0.0022715700000000 ] - [ 0.0019652300000000, 0.0047550600000000, 0.0024201300000000 ] - [ 0.0016419000000000, 0.0050065400000000, 0.0008138700000000 ] - [ -0.0009513100000000, 0.0061140900000000, 0.0007690900000000 ] - [ -0.0295218900000000, -0.0058221900000000, -0.0056494700000000 ] - [ 0.0194262800000000, -0.0136706600000000, -0.0240604600000000 ] - [ 0.0128721100000000, -0.0163838900000000, 0.0120052100000000 ] - [ -0.0048247600000000, -0.0131836500000000, 0.0059766700000000 ] - [ -0.0014429600000000, 0.0049146600000000, -0.0004491300000000 ] - [ 0.0004921600000000, 0.0055359600000000, 0.0005558300000000 ] - [ 0.0000953600000000, -0.0086092300000000, 0.0001066700000000 ] - [ 0.0016955600000000, -0.0056094700000000, -0.0000603000000000 ] - [ 0.0002199700000000, 0.0043521000000000, -0.0006665200000000 ] - [ 0.0002161800000000, 0.0039695300000000, -0.0005897900000000 ] - [ 0.0022432900000000, 0.0043176600000000, 0.0020739100000000 ] - [ -0.0012894900000000, 0.0022742000000000, 0.0025691000000000 ] - [ -0.0009966600000000, -0.0002188300000000, -0.0040277500000000 ] - [ 0.0042989100000000, -0.0009653300000000, -0.0036232800000000 ] - [ 0.0104449500000000, -0.0139626100000000, -0.0190216800000000 ] - [ -0.0006871700000000, -0.0092651400000000, -0.0091192000000000 ] - [ -0.0008271500000000, 0.0040987200000000, -0.0000834600000000 ] - [ -0.0004334800000000, 0.0043992000000000, -0.0003581500000000 ] - [ 0.0030078100000000, 0.0085598700000000, -0.0037499200000000 ] - [ -0.0013356000000000, 0.0067743700000000, -0.0030882200000000 ] - [ -0.0200454700000000, 0.0167453400000000, 0.0021504200000000 ] - [ 0.0193776300000000, 0.0083459200000000, 0.0159595200000000 ] - [ -0.0004892800000000, -0.0039302900000000, -0.0009340400000000 ] - [ 0.0001409600000000, -0.0031328100000000, -0.0009621500000000 ] - [ 0.0016022300000000, 0.0048098700000000, 0.0014909400000000 ] - [ -0.0008374900000000, 0.0037997500000000, 0.0014097500000000 ] - [ -0.0031563100000000, 0.0016922900000000, -0.0042745100000000 ] - [ 0.0037856700000000, 0.0043733200000000, -0.0082006800000000 ] - [ 0.0002380800000000, -0.0026751400000000, 0.0010693600000000 ] - [ -0.0016744200000000, -0.0045306200000000, 0.0022771300000000 ] - [ -0.0048845500000000, -0.0094743300000000, 0.0026073400000000 ] - [ 0.0070204700000000, -0.0065307000000000, 0.0006042000000000 ] - [ 0.0039775000000000, -0.0097916600000000, 0.0011984000000000 ] - [ -0.0046603300000000, -0.0066021300000000, 0.0004404100000000 ] - [ -0.0017643900000000, -0.0041860200000000, -0.0008345800000000 ] - [ 0.0008981900000000, -0.0054531000000000, -0.0002957100000000 ] - [ 0.0105448400000000, 0.0020077500000000, 0.0004410500000000 ] - [ -0.0009891600000000, 0.0178604200000000, 0.0029289200000000 ] - [ 0.0007679100000000, -0.0043689400000000, 0.0005502600000000 ] - [ 0.0011542300000000, -0.0036317100000000, 0.0003816400000000 ] - [ -0.0122106300000000, 0.0273727200000000, -0.0015709200000000 ] - [ -0.0078677300000000, 0.0056460900000000, -0.0044528100000000 ] - [ -0.0011209800000000, -0.0067892100000000, 0.0016491000000000 ] - [ 0.0008632100000000, -0.0040181600000000, 0.0009546100000000 ] - [ -0.0041639500000000, 0.0345379600000000, -0.0134020700000000 ] - [ -0.0061072000000000, 0.0062647500000000, 0.0016011800000000 ] - [ 0.0105939900000000, 0.0257686500000000, -0.0025648800000000 ] - [ 0.0074978100000000, 0.0085398300000000, 0.0046359400000000 ] - [ -0.0001645400000000, -0.0043266000000000, -0.0013917800000000 ] - [ -0.0006688800000000, -0.0035689600000000, -0.0011441900000000 ] - [ 0.0025141600000000, 0.0139781700000000, 0.0007699500000000 ] - [ 0.0005317000000000, 0.0290614400000000, 0.0049364000000000 ] - [ 0.0000507700000000, -0.0050707100000000, -0.0009065700000000 ] - [ 0.0001163000000000, -0.0055940400000000, -0.0011087500000000 ] - [ -0.0024875700000000, 0.0010592500000000, 0.0042535900000000 ] - [ 0.0007669600000000, 0.0043517100000000, 0.0017579800000000 ] - [ 0.0003525100000000, -0.0033978800000000, 0.0001941600000000 ] - [ -0.0004737100000000, -0.0036338700000000, 0.0004979700000000 ] - [ -0.0007228700000000, 0.0063126800000000, -0.0043518000000000 ] - [ -0.0004827600000000, 0.0046281600000000, -0.0014454000000000 ] - [ 0.0014858700000000, -0.0033968700000000, 0.0006427900000000 ] - [ 0.0007522000000000, -0.0030407800000000, 0.0007079200000000 ] - [ -0.0001982400000000, 0.0049772900000000, -0.0011766800000000 ] - [ -0.0016169500000000, 0.0075016200000000, -0.0022755700000000 ] - [ -0.0001752300000000, -0.0037481600000000, 0.0006242300000000 ] - [ -0.0001976300000000, -0.0042675900000000, 0.0008019900000000 ] - [ -0.0101652200000000, 0.0007746400000000, -0.0018088800000000 ] - [ 0.0045277100000000, 0.0117756400000000, -0.0057461600000000 ] - [ 0.0013966800000000, -0.0045924500000000, -0.0007479600000000 ] - [ -0.0012643600000000, -0.0068781600000000, -0.0021113000000000 ] - [ -0.0021289100000000, -0.0023941300000000, 0.0017611400000000 ] - [ -0.0005202900000000, -0.0027824000000000, 0.0024037700000000 ] - [ 0.0056559500000000, -0.0028184600000000, -0.0052081300000000 ] - [ -0.0034816200000000, -0.0020193300000000, -0.0064205300000000 ] - [ -0.0102905100000000, 0.0090687000000000, -0.0087660600000000 ] - [ 0.0065136300000000, 0.0063044200000000, -0.0045293300000000 ] - [ 0.0011157800000000, -0.0050432700000000, 0.0012109500000000 ] - [ -0.0002322200000000, -0.0033175100000000, 0.0009750300000000 ] - [ 0.0008799000000000, 0.0094759700000000, 0.0024007700000000 ] - [ 0.0002149600000000, 0.0041037800000000, 0.0016082300000000 ] - [ -0.0002361900000000, -0.0035352400000000, 0.0003336500000000 ] - [ -0.0003626500000000, -0.0031866600000000, 0.0003319600000000 ] - [ -0.0009822200000000, -0.0014780700000000, -0.0007065200000000 ] - [ 0.0003636500000000, -0.0014178400000000, -0.0010344000000000 ] - [ 0.0011762200000000, -0.0008929900000000, -0.0001014400000000 ] - [ -0.0010515000000000, -0.0020416100000000, -0.0005828200000000 ] - [ -0.0049207900000000, 0.0101940800000000, 0.0028579000000000 ] - [ -0.0013096100000000, 0.0279800800000000, 0.0112815100000000 ] - [ 0.0020258800000000, -0.0030288200000000, 0.0003632600000000 ] - [ 0.0020374900000000, -0.0034041000000000, 0.0004321900000000 ] - [ -0.0004627300000000, -0.0023170100000000, -0.0000992600000000 ] - [ 0.0024264700000000, -0.0034877400000000, -0.0018730000000000 ] - [ 0.0044559700000000, -0.0020354500000000, 0.0030039000000000 ] - [ -0.0055013400000000, 0.0015600000000000, 0.0076468400000000 ] - [ 0.0000816900000000, -0.0022427600000000, 0.0011309900000000 ] - [ 0.0008950400000000, -0.0011252500000000, 0.0005658000000000 ] - [ 0.0003859900000000, -0.0029490000000000, -0.0018687100000000 ] - [ -0.0015469200000000, -0.0011329200000000, -0.0009616300000000 ] - [ -0.0033213700000000, -0.0009343900000000, -0.0069468600000000 ] - [ -0.0008275600000000, -0.0002599400000000, -0.0022641900000000 ] - [ 0.0003979500000000, -0.0024138100000000, 0.0038395800000000 ] - [ -0.0018509200000000, -0.0015870300000000, 0.0011528100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013863200000000, 0.2250619300000000, -0.0084551600000000 ] - [ 0.0001144000000000, 0.0225973300000000, -0.0036201000000000 ] - [ 0.0005354500000000, -0.0134902400000000, 0.0003975700000000 ] - [ 0.0004414700000000, -0.0107207800000000, 0.0001373000000000 ] - [ -0.0003280400000000, -0.0060934400000000, 0.0016020800000000 ] - [ -0.0001239800000000, -0.0077258000000000, 0.0021657800000000 ] - [ 0.0002473300000000, 0.0101058000000000, -0.0033656600000000 ] - [ -0.0108667100000000, 0.0115994100000000, -0.0283938000000000 ] - [ 0.0004650200000000, 0.0080586100000000, -0.0043047100000000 ] - [ -0.0011511500000000, 0.0059942900000000, -0.0017953100000000 ] - [ -0.0002853200000000, -0.0077829300000000, 0.0012141400000000 ] - [ 0.0003917800000000, -0.0056243900000000, 0.0004381900000000 ] - [ 0.0000604200000000, -0.0060873900000000, -0.0041788500000000 ] - [ -0.0041427800000000, -0.0316595900000000, -0.0217560500000000 ] - [ 0.0005280000000000, -0.0060631500000000, 0.0028415900000000 ] - [ -0.0023363700000000, -0.0318820700000000, 0.0143954300000000 ] - [ -0.0259741600000000, -0.0199515500000000, -0.0000759100000000 ] - [ 0.0363569500000000, -0.0007337600000000, 0.0028216900000000 ] - [ 0.0023605300000000, -0.0082933500000000, -0.0006619300000000 ] - [ -0.0013298200000000, -0.0058281200000000, -0.0005770100000000 ] - [ -0.0015750900000000, -0.0015785600000000, 0.0014780400000000 ] - [ 0.0012449900000000, -0.0006614800000000, 0.0018033900000000 ] - [ 0.0010542000000000, -0.0041476300000000, -0.0019249500000000 ] - [ -0.0021914400000000, -0.0050096700000000, -0.0020901400000000 ] - [ -0.0018452300000000, -0.0047541500000000, -0.0004598200000000 ] - [ 0.0007204700000000, -0.0058508000000000, -0.0004135000000000 ] - [ 0.0294219100000000, 0.0060678100000000, 0.0060629200000000 ] - [ -0.0196826800000000, 0.0143389800000000, 0.0246252400000000 ] - [ -0.0133432200000000, 0.0165474100000000, -0.0123194200000000 ] - [ 0.0043804000000000, 0.0130304900000000, -0.0063545100000000 ] - [ 0.0009543800000000, -0.0047055900000000, 0.0001106000000000 ] - [ -0.0009978200000000, -0.0053268500000000, -0.0009048800000000 ] - [ 0.0001251400000000, 0.0083491300000000, -0.0004353900000000 ] - [ -0.0014464500000000, 0.0053787400000000, -0.0002870000000000 ] - [ 0.0000025700000000, -0.0046056000000000, 0.0003212300000000 ] - [ 0.0000014200000000, -0.0042256700000000, 0.0002445700000000 ] - [ -0.0017303700000000, -0.0045200100000000, -0.0017117900000000 ] - [ 0.0017734700000000, -0.0024897500000000, -0.0022024500000000 ] - [ 0.0014992700000000, 0.0000420000000000, 0.0043920500000000 ] - [ -0.0038047100000000, 0.0007866700000000, 0.0039869500000000 ] - [ -0.0109555500000000, 0.0138078900000000, 0.0186983300000000 ] - [ 0.0003483700000000, 0.0087762900000000, 0.0087440100000000 ] - [ 0.0003351900000000, -0.0042949600000000, -0.0002798100000000 ] - [ -0.0000671000000000, -0.0045943500000000, -0.0000020300000000 ] - [ -0.0024875200000000, -0.0083297100000000, 0.0040759400000000 ] - [ 0.0018167300000000, -0.0065489900000000, 0.0034217400000000 ] - [ 0.0206862500000000, -0.0166219900000000, -0.0019577100000000 ] - [ -0.0190207000000000, -0.0082292300000000, -0.0156937300000000 ] - [ 0.0003035600000000, 0.0042296200000000, 0.0009441900000000 ] - [ -0.0003231400000000, 0.0034335500000000, 0.0009714000000000 ] - [ -0.0017648400000000, -0.0045182800000000, -0.0015032500000000 ] - [ 0.0006530800000000, -0.0035267700000000, -0.0014023600000000 ] - [ 0.0046979000000000, -0.0016225100000000, 0.0050032100000000 ] - [ -0.0022018200000000, -0.0042327300000000, 0.0088688200000000 ] - [ 0.0012943800000000, 0.0027274200000000, -0.0003303000000000 ] - [ 0.0032226800000000, 0.0045926100000000, -0.0015513700000000 ] - [ 0.0046465900000000, 0.0091737900000000, -0.0025885500000000 ] - [ -0.0071700400000000, 0.0062225600000000, -0.0006080200000000 ] - [ -0.0041898900000000, 0.0095334500000000, -0.0011868300000000 ] - [ 0.0044672600000000, 0.0062792300000000, -0.0004347900000000 ] - [ 0.0018347800000000, 0.0046268500000000, 0.0000778700000000 ] - [ -0.0008066600000000, 0.0058855700000000, -0.0004618200000000 ] - [ -0.0105205800000000, -0.0015623100000000, -0.0012011500000000 ] - [ 0.0001733400000000, -0.0187330300000000, -0.0036978500000000 ] - [ -0.0023099800000000, 0.0044239600000000, -0.0012811700000000 ] - [ -0.0026864200000000, 0.0036858600000000, -0.0011153100000000 ] - [ 0.0116204800000000, -0.0286350900000000, -0.0001352600000000 ] - [ 0.0063623800000000, -0.0056073500000000, 0.0037509300000000 ] - [ 0.0013811400000000, 0.0071423900000000, -0.0012478700000000 ] - [ -0.0005809400000000, 0.0043909400000000, -0.0005608100000000 ] - [ 0.0053373700000000, -0.0353671900000000, 0.0150284000000000 ] - [ 0.0063484600000000, -0.0059665500000000, -0.0012473600000000 ] - [ -0.0086128100000000, -0.0250079100000000, 0.0017271300000000 ] - [ -0.0063568000000000, -0.0081739900000000, -0.0048336100000000 ] - [ 0.0012770800000000, 0.0045942000000000, 0.0011370100000000 ] - [ 0.0017881600000000, 0.0038274200000000, 0.0008829900000000 ] - [ -0.0023688600000000, -0.0142865100000000, -0.0007608500000000 ] - [ -0.0005763500000000, -0.0293602700000000, -0.0047395400000000 ] - [ 0.0001255800000000, 0.0047686800000000, 0.0008917700000000 ] - [ 0.0000691200000000, 0.0052902600000000, 0.0010922200000000 ] - [ 0.0026895300000000, -0.0007362700000000, -0.0043012400000000 ] - [ -0.0005836100000000, -0.0039781300000000, -0.0017655400000000 ] - [ -0.0001729400000000, 0.0036849900000000, -0.0002015000000000 ] - [ 0.0006563000000000, 0.0039232800000000, -0.0005030900000000 ] - [ 0.0018403400000000, -0.0065529600000000, 0.0040603000000000 ] - [ 0.0015396600000000, -0.0048249200000000, 0.0012388000000000 ] - [ -0.0003699700000000, 0.0031328500000000, -0.0009144600000000 ] - [ 0.0003695000000000, 0.0027753200000000, -0.0009778100000000 ] - [ -0.0000808700000000, -0.0053513000000000, 0.0007768500000000 ] - [ 0.0013531200000000, -0.0078617800000000, 0.0018266500000000 ] - [ -0.0001013900000000, 0.0033729800000000, -0.0010215600000000 ] - [ -0.0000743600000000, 0.0038915800000000, -0.0011986600000000 ] - [ 0.0098978700000000, -0.0003812400000000, 0.0014391300000000 ] - [ -0.0055529700000000, -0.0096792800000000, 0.0054352500000000 ] - [ -0.0016880200000000, 0.0049630800000000, 0.0003463700000000 ] - [ 0.0010026300000000, 0.0072606000000000, 0.0017147000000000 ] - [ 0.0010048300000000, 0.0021391000000000, -0.0014803500000000 ] - [ -0.0005852300000000, 0.0025187400000000, -0.0021090700000000 ] - [ -0.0067228900000000, 0.0025291900000000, 0.0054747800000000 ] - [ 0.0023661500000000, 0.0017399000000000, 0.0067524600000000 ] - [ 0.0104722200000000, -0.0080882200000000, 0.0097424700000000 ] - [ -0.0065499900000000, -0.0057572500000000, 0.0052112500000000 ] - [ -0.0012047700000000, 0.0054998600000000, -0.0004645000000000 ] - [ 0.0001547900000000, 0.0037608700000000, -0.0002228400000000 ] - [ -0.0009425600000000, -0.0099306800000000, -0.0016433500000000 ] - [ -0.0003782200000000, -0.0045289800000000, -0.0008927500000000 ] - [ 0.0001528100000000, 0.0030803300000000, 0.0004231800000000 ] - [ 0.0002814100000000, 0.0027337500000000, 0.0004244600000000 ] - [ 0.0010552800000000, 0.0010445900000000, -0.0000534200000000 ] - [ -0.0002815500000000, 0.0009844400000000, 0.0002774000000000 ] - [ -0.0010933200000000, 0.0004320300000000, -0.0006567500000000 ] - [ 0.0011316300000000, 0.0015756800000000, -0.0001709100000000 ] - [ 0.0064474300000000, -0.0102657300000000, -0.0021015600000000 ] - [ 0.0028343900000000, -0.0279053000000000, -0.0106549200000000 ] - [ -0.0004861200000000, 0.0029678500000000, 0.0003852900000000 ] - [ -0.0004941800000000, 0.0033400600000000, 0.0003168600000000 ] - [ -0.0006607000000000, 0.0025847300000000, 0.0003582100000000 ] - [ -0.0035302900000000, 0.0037485300000000, 0.0021190500000000 ] - [ -0.0055289500000000, 0.0022764200000000, -0.0027375300000000 ] - [ 0.0044213200000000, -0.0013721900000000, -0.0074197000000000 ] - [ 0.0001855600000000, 0.0018869200000000, -0.0007240000000000 ] - [ -0.0006141700000000, 0.0007752100000000, -0.0001600000000000 ] - [ -0.0001046900000000, 0.0025414100000000, 0.0022629800000000 ] - [ 0.0018285300000000, 0.0007486200000000, 0.0013608400000000 ] - [ 0.0017662100000000, 0.0008894700000000, 0.0061737900000000 ] - [ -0.0007040300000000, 0.0002190500000000, 0.0015098900000000 ] - [ -0.0019518200000000, 0.0023397400000000, -0.0046004000000000 ] - [ 0.0003056400000000, 0.0015139400000000, -0.0019001400000000 ]- atom: 1 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ 0.0120438100000000, 0.0082880100000000, -0.2498141500000000 ] - [ -0.0012935700000000, 0.0027585500000000, -0.0193464800000000 ] - [ 0.0007815500000000, -0.0012837300000000, -0.0017989400000000 ] - [ 0.0001562800000000, -0.0010202100000000, -0.0014501200000000 ] - [ -0.0002909700000000, -0.0007317400000000, 0.0004130300000000 ] - [ -0.0002392300000000, -0.0012952800000000, 0.0004659200000000 ] - [ -0.0007212600000000, 0.0042216600000000, 0.0048012800000000 ] - [ -0.0065568900000000, 0.0289233900000000, 0.0456678600000000 ] - [ -0.0012217100000000, -0.0033785600000000, 0.0209186300000000 ] - [ 0.0000114000000000, -0.0008848600000000, 0.0089266500000000 ] - [ 0.0003698700000000, 0.0020734200000000, 0.0054087600000000 ] - [ -0.0000762600000000, 0.0013004500000000, 0.0029911400000000 ] - [ -0.0009518700000000, 0.0019482300000000, -0.0009332600000000 ] - [ -0.0028327400000000, 0.0134128400000000, -0.0015597900000000 ] - [ -0.0007225200000000, -0.0050758500000000, -0.0009218800000000 ] - [ -0.0042226400000000, -0.0226981000000000, -0.0015048800000000 ] - [ 0.0010250900000000, -0.0096355700000000, -0.0338496000000000 ] - [ -0.0030840700000000, -0.0024855700000000, -0.0093084800000000 ] - [ -0.0002370300000000, 0.0005613200000000, -0.0005502400000000 ] - [ -0.0005881700000000, -0.0005289100000000, -0.0009727400000000 ] - [ -0.0007417200000000, -0.0037324300000000, 0.0014727500000000 ] - [ 0.0019596000000000, -0.0066955400000000, 0.0006114700000000 ] - [ -0.0023669500000000, 0.0021520000000000, 0.0024252600000000 ] - [ 0.0012127100000000, 0.0035145500000000, 0.0038539000000000 ] - [ 0.0001607100000000, 0.0001741900000000, -0.0002237200000000 ] - [ -0.0004457000000000, 0.0003595200000000, -0.0002808700000000 ] - [ 0.0291598600000000, -0.0049659000000000, 0.0010404900000000 ] - [ -0.0211953900000000, -0.0318508800000000, -0.0003575100000000 ] - [ 0.0116958300000000, 0.0027517800000000, 0.0131058800000000 ] - [ -0.0180275600000000, 0.0234836600000000, 0.0171951700000000 ] - [ -0.0002475300000000, -0.0004441400000000, 0.0003402400000000 ] - [ -0.0010774100000000, -0.0007397200000000, -0.0000454000000000 ] - [ -0.0012202100000000, -0.0015611400000000, 0.0109242400000000 ] - [ 0.0030701900000000, -0.0005134300000000, 0.0096028800000000 ] - [ 0.0002172000000000, -0.0002094700000000, 0.0003955500000000 ] - [ 0.0002693700000000, -0.0003359600000000, 0.0004160300000000 ] - [ 0.0013339400000000, 0.0009429200000000, 0.0020268100000000 ] - [ 0.0003869200000000, 0.0003328600000000, 0.0024299800000000 ] - [ 0.0002371000000000, 0.0012586900000000, 0.0077409000000000 ] - [ -0.0018726600000000, -0.0007817800000000, 0.0087408300000000 ] - [ -0.0176048500000000, -0.0031554100000000, 0.0144460500000000 ] - [ 0.0334077500000000, -0.0248713200000000, 0.0151284500000000 ] - [ 0.0000384500000000, 0.0007249700000000, -0.0010374500000000 ] - [ 0.0003197000000000, 0.0007591700000000, -0.0012325100000000 ] - [ 0.0004364900000000, -0.0002959500000000, -0.0006658900000000 ] - [ 0.0004053600000000, 0.0000520100000000, -0.0015540800000000 ] - [ -0.0171391100000000, 0.0155157900000000, -0.0149569500000000 ] - [ 0.0009785800000000, 0.0049662300000000, -0.0149861000000000 ] - [ -0.0000062100000000, -0.0000432600000000, -0.0008468000000000 ] - [ 0.0000119600000000, 0.0002230100000000, -0.0006718600000000 ] - [ 0.0035668400000000, -0.0009786100000000, -0.0082119600000000 ] - [ 0.0006319500000000, -0.0012943300000000, -0.0040305000000000 ] - [ -0.0033341000000000, -0.0020089400000000, -0.0035224700000000 ] - [ -0.0007077700000000, -0.0072088300000000, -0.0065524000000000 ] - [ 0.0007487400000000, 0.0009858300000000, -0.0009145900000000 ] - [ 0.0015508800000000, 0.0024967600000000, -0.0027874700000000 ] - [ -0.0019081700000000, 0.0014788500000000, 0.0068072100000000 ] - [ 0.0005519900000000, -0.0003169100000000, 0.0013894900000000 ] - [ -0.0007635500000000, -0.0041352000000000, 0.0084686600000000 ] - [ 0.0009941400000000, 0.0010702300000000, 0.0024455300000000 ] - [ 0.0002903100000000, 0.0003571300000000, 0.0002829000000000 ] - [ 0.0005125700000000, -0.0001336800000000, 0.0004992100000000 ] - [ -0.0017939800000000, 0.0008805100000000, 0.0101809300000000 ] - [ 0.0050985400000000, 0.0067142300000000, 0.0218060400000000 ] - [ -0.0007846400000000, 0.0002752300000000, 0.0003742700000000 ] - [ -0.0007625500000000, 0.0002930200000000, 0.0003577300000000 ] - [ -0.0049851800000000, 0.0054664800000000, 0.0261777200000000 ] - [ -0.0029079500000000, -0.0016084000000000, 0.0042617500000000 ] - [ -0.0004126500000000, -0.0002747300000000, 0.0004639700000000 ] - [ 0.0003300000000000, 0.0000394400000000, 0.0003837400000000 ] - [ 0.0064541100000000, -0.0059379300000000, 0.0297985700000000 ] - [ 0.0094157800000000, 0.0060146800000000, 0.0029552400000000 ] - [ -0.0084552000000000, -0.0012034500000000, 0.0285434000000000 ] - [ -0.0068988300000000, 0.0051403900000000, 0.0100028900000000 ] - [ 0.0004208900000000, 0.0002907400000000, 0.0007305800000000 ] - [ 0.0007131000000000, 0.0005405100000000, 0.0007953900000000 ] - [ -0.0081880100000000, -0.0020934400000000, 0.0023110200000000 ] - [ -0.0146976200000000, 0.0007768800000000, 0.0289808300000000 ] - [ -0.0001909500000000, -0.0000069100000000, 0.0000983100000000 ] - [ 0.0000788800000000, 0.0000261200000000, 0.0001461400000000 ] - [ 0.0034524900000000, 0.0037219600000000, -0.0045127600000000 ] - [ -0.0023626800000000, 0.0122544000000000, -0.0076862900000000 ] - [ 0.0010510000000000, -0.0015308700000000, -0.0002760800000000 ] - [ 0.0003094200000000, -0.0020650600000000, -0.0004789300000000 ] - [ -0.0000315800000000, 0.0003396600000000, -0.0104160900000000 ] - [ 0.0045694600000000, -0.0012122000000000, -0.0101922700000000 ] - [ 0.0007028900000000, 0.0002276300000000, -0.0008580500000000 ] - [ 0.0010298000000000, 0.0002379100000000, -0.0009473100000000 ] - [ 0.0003596000000000, 0.0007882900000000, -0.0034312000000000 ] - [ -0.0030354300000000, 0.0034415300000000, -0.0111427600000000 ] - [ -0.0002215500000000, -0.0001515000000000, -0.0005029800000000 ] - [ -0.0002793900000000, -0.0001439200000000, -0.0005622600000000 ] - [ 0.0018001900000000, 0.0030509600000000, 0.0071964900000000 ] - [ 0.0030028400000000, -0.0004820100000000, 0.0184370700000000 ] - [ 0.0004532700000000, 0.0005878500000000, 0.0005571600000000 ] - [ 0.0007937600000000, 0.0019186900000000, 0.0018282900000000 ] - [ -0.0005003300000000, 0.0008801000000000, 0.0007766000000000 ] - [ -0.0006369800000000, 0.0015761500000000, 0.0013194400000000 ] - [ 0.0032877300000000, -0.0034886600000000, -0.0017672200000000 ] - [ -0.0058899900000000, -0.0073389300000000, 0.0022264900000000 ] - [ -0.0076546800000000, -0.0101930300000000, 0.0117619500000000 ] - [ 0.0066415000000000, -0.0074217500000000, 0.0050439700000000 ] - [ -0.0009183400000000, 0.0005233800000000, 0.0009840200000000 ] - [ 0.0000777300000000, 0.0006341300000000, 0.0004829300000000 ] - [ 0.0046480100000000, 0.0013818900000000, -0.0100656900000000 ] - [ -0.0068481700000000, 0.0010140200000000, -0.0079876500000000 ] - [ -0.0000577300000000, -0.0005499200000000, 0.0002130200000000 ] - [ -0.0001582800000000, -0.0004683900000000, 0.0002644500000000 ] - [ 0.0000042500000000, 0.0004710900000000, -0.0020633500000000 ] - [ 0.0001713200000000, 0.0013210200000000, -0.0032888500000000 ] - [ 0.0003110200000000, -0.0008356400000000, -0.0031432700000000 ] - [ -0.0016591700000000, -0.0020891900000000, -0.0045375800000000 ] - [ 0.0087339500000000, -0.0029589800000000, 0.0011306000000000 ] - [ 0.0242239400000000, 0.0024005300000000, 0.0539300400000000 ] - [ 0.0008942900000000, 0.0000168800000000, 0.0009951400000000 ] - [ 0.0008358100000000, 0.0001211000000000, 0.0011860400000000 ] - [ -0.0003930500000000, -0.0003045300000000, -0.0003438300000000 ] - [ 0.0005651000000000, -0.0008307900000000, -0.0009278300000000 ] - [ -0.0051337900000000, 0.0036099000000000, -0.0041998300000000 ] - [ 0.0023177500000000, 0.0077566200000000, -0.0047563300000000 ] - [ 0.0001462900000000, 0.0019017200000000, -0.0012771000000000 ] - [ -0.0013555000000000, 0.0016044600000000, -0.0003835100000000 ] - [ 0.0021185200000000, -0.0061109800000000, -0.0026278900000000 ] - [ -0.0009351300000000, -0.0020716900000000, -0.0013361800000000 ] - [ -0.0014323900000000, -0.0012386600000000, -0.0036108100000000 ] - [ -0.0005752100000000, -0.0003864800000000, -0.0017328400000000 ] - [ -0.0016289700000000, 0.0017443800000000, -0.0051122500000000 ] - [ -0.0000666000000000, 0.0012166800000000, -0.0030272800000000 ]- atom: 1 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ -0.0095736100000000, -0.0077790000000000, 0.2515509300000000 ] - [ 0.0018408500000000, -0.0039255200000000, 0.0188013100000000 ] - [ -0.0002062100000000, 0.0000722300000000, 0.0012513200000000 ] - [ 0.0004308600000000, -0.0001865400000000, 0.0008969400000000 ] - [ -0.0002968600000000, 0.0019275200000000, 0.0001588900000000 ] - [ -0.0003396800000000, 0.0024958500000000, 0.0001095500000000 ] - [ 0.0001197200000000, -0.0030560200000000, -0.0042180500000000 ] - [ 0.0060815100000000, -0.0281460900000000, -0.0454632700000000 ] - [ 0.0018520500000000, 0.0047036700000000, -0.0215034000000000 ] - [ 0.0005381000000000, 0.0021271100000000, -0.0095023600000000 ] - [ 0.0002142700000000, -0.0009075700000000, -0.0059863200000000 ] - [ 0.0006598100000000, -0.0001258200000000, -0.0035581500000000 ] - [ 0.0003621300000000, -0.0031371100000000, 0.0014513200000000 ] - [ 0.0022342500000000, -0.0146737100000000, 0.0019035300000000 ] - [ 0.0001566100000000, 0.0038710100000000, 0.0014578800000000 ] - [ 0.0035839800000000, 0.0215205900000000, 0.0019891800000000 ] - [ -0.0009351500000000, 0.0097703500000000, 0.0334949500000000 ] - [ 0.0035799200000000, 0.0027982600000000, 0.0090185400000000 ] - [ 0.0004649800000000, -0.0003272700000000, 0.0002074500000000 ] - [ 0.0008051600000000, 0.0008055100000000, 0.0006269500000000 ] - [ 0.0005325000000000, 0.0034807400000000, -0.0011138300000000 ] - [ -0.0022075400000000, 0.0065222100000000, -0.0002470000000000 ] - [ 0.0021668200000000, -0.0024129800000000, -0.0020730200000000 ] - [ -0.0014430900000000, -0.0037939500000000, -0.0035158400000000 ] - [ -0.0003896700000000, 0.0000728700000000, 0.0005627800000000 ] - [ 0.0002293400000000, -0.0001152500000000, 0.0006120800000000 ] - [ -0.0293191500000000, 0.0051609400000000, -0.0006817900000000 ] - [ 0.0208813900000000, 0.0318329400000000, 0.0004854300000000 ] - [ -0.0121582500000000, -0.0024053300000000, -0.0135536200000000 ] - [ 0.0173353700000000, -0.0231521000000000, -0.0174953400000000 ] - [ -0.0002499600000000, 0.0006400300000000, -0.0006999200000000 ] - [ 0.0005780100000000, 0.0009342300000000, -0.0003193400000000 ] - [ 0.0014879200000000, 0.0012860000000000, -0.0112910000000000 ] - [ -0.0029172600000000, 0.0002498100000000, -0.0099650900000000 ] - [ 0.0000024900000000, -0.0000497100000000, -0.0007426600000000 ] - [ -0.0000498000000000, 0.0000783100000000, -0.0007625800000000 ] - [ -0.0008396800000000, -0.0011528000000000, -0.0016852300000000 ] - [ 0.0001037300000000, -0.0005208300000000, -0.0020993000000000 ] - [ 0.0002788700000000, -0.0015024000000000, -0.0074229000000000 ] - [ 0.0023627300000000, 0.0005605500000000, -0.0083999900000000 ] - [ 0.0172018900000000, 0.0030899600000000, -0.0146610700000000 ] - [ -0.0343454200000000, 0.0248864900000000, -0.0156561400000000 ] - [ -0.0005372900000000, -0.0009398500000000, 0.0006929100000000 ] - [ -0.0008215300000000, -0.0009738300000000, 0.0008925300000000 ] - [ 0.0000511700000000, 0.0004717300000000, 0.0010414400000000 ] - [ 0.0000970600000000, 0.0001226400000000, 0.0019433000000000 ] - [ 0.0177047400000000, -0.0153783300000000, 0.0152899300000000 ] - [ -0.0004122300000000, -0.0047517600000000, 0.0155382600000000 ] - [ -0.0001754900000000, 0.0003452400000000, 0.0008629800000000 ] - [ -0.0001948300000000, 0.0000708400000000, 0.0006867600000000 ] - [ -0.0037802900000000, 0.0013013200000000, 0.0082458400000000 ] - [ -0.0007985800000000, 0.0016158400000000, 0.0040481500000000 ] - [ 0.0049074200000000, 0.0020537900000000, 0.0043164200000000 ] - [ 0.0022589000000000, 0.0071721600000000, 0.0073139700000000 ] - [ 0.0007945100000000, -0.0009230300000000, 0.0016644600000000 ] - [ -0.0000064400000000, -0.0024307600000000, 0.0035416300000000 ] - [ 0.0017411000000000, -0.0017505900000000, -0.0068060600000000 ] - [ -0.0008194000000000, 0.0000496900000000, -0.0013888600000000 ] - [ 0.0005705400000000, 0.0038986900000000, -0.0084763700000000 ] - [ -0.0012301000000000, -0.0014189100000000, -0.0024455200000000 ] - [ -0.0001993000000000, 0.0001029800000000, -0.0010361800000000 ] - [ -0.0004380200000000, 0.0006090300000000, -0.0012560900000000 ] - [ 0.0018259700000000, -0.0004196100000000, -0.0109445000000000 ] - [ -0.0051280700000000, -0.0063680400000000, -0.0224934700000000 ] - [ -0.0007614700000000, -0.0002057700000000, -0.0011287600000000 ] - [ -0.0007844800000000, -0.0002252700000000, -0.0011124500000000 ] - [ 0.0040095000000000, -0.0062613600000000, -0.0275947200000000 ] - [ 0.0013648000000000, 0.0016873400000000, -0.0050453500000000 ] - [ 0.0006928700000000, 0.0006664000000000, -0.0000710300000000 ] - [ -0.0000602900000000, 0.0003398600000000, 0.0000138900000000 ] - [ -0.0054185000000000, 0.0051774700000000, -0.0283618700000000 ] - [ -0.0091555700000000, -0.0056070600000000, -0.0025426900000000 ] - [ 0.0103104800000000, 0.0019645300000000, -0.0293295700000000 ] - [ 0.0080728900000000, -0.0049750700000000, -0.0103891100000000 ] - [ 0.0006996600000000, -0.0000207900000000, -0.0009984300000000 ] - [ 0.0004036600000000, -0.0002839000000000, -0.0010675300000000 ] - [ 0.0083533800000000, 0.0017693200000000, -0.0023000100000000 ] - [ 0.0133660900000000, -0.0010860300000000, -0.0275046300000000 ] - [ 0.0003749200000000, -0.0002833100000000, -0.0001067200000000 ] - [ 0.0001008400000000, -0.0003141900000000, -0.0001501700000000 ] - [ -0.0032518700000000, -0.0034354000000000, 0.0044494000000000 ] - [ 0.0025921100000000, -0.0120951100000000, 0.0077255600000000 ] - [ -0.0008780700000000, 0.0018422300000000, 0.0002599000000000 ] - [ -0.0001252200000000, 0.0023812800000000, 0.0004634200000000 ] - [ 0.0011023100000000, -0.0006396800000000, 0.0101554800000000 ] - [ -0.0034256600000000, 0.0009368500000000, 0.0099408900000000 ] - [ 0.0004096400000000, -0.0004837700000000, 0.0005953500000000 ] - [ 0.0000830300000000, -0.0004963100000000, 0.0006865000000000 ] - [ -0.0006645200000000, -0.0011609800000000, 0.0030349300000000 ] - [ 0.0027905400000000, -0.0038192200000000, 0.0107829700000000 ] - [ -0.0000519900000000, -0.0002156900000000, 0.0001060900000000 ] - [ 0.0000077800000000, -0.0002248600000000, 0.0001648100000000 ] - [ -0.0020226300000000, -0.0026850000000000, -0.0075768000000000 ] - [ -0.0034045900000000, 0.0011760600000000, -0.0186944500000000 ] - [ -0.0007363900000000, -0.0002115400000000, -0.0009531500000000 ] - [ -0.0010626700000000, -0.0015600300000000, -0.0022290400000000 ] - [ -0.0006136500000000, -0.0011415200000000, -0.0005266200000000 ] - [ -0.0004759800000000, -0.0018503500000000, -0.0010843500000000 ] - [ -0.0043751400000000, 0.0032235800000000, 0.0020200500000000 ] - [ 0.0048080900000000, 0.0071219200000000, -0.0020015900000000 ] - [ 0.0078874300000000, 0.0109063500000000, -0.0105902500000000 ] - [ -0.0067098700000000, 0.0078011200000000, -0.0042526500000000 ] - [ 0.0008397900000000, -0.0000678400000000, -0.0002324100000000 ] - [ -0.0001624800000000, -0.0001856100000000, 0.0002790300000000 ] - [ -0.0047911600000000, -0.0018424800000000, 0.0108258700000000 ] - [ 0.0067925300000000, -0.0014562400000000, 0.0087454300000000 ] - [ -0.0000249900000000, 0.0001056700000000, 0.0005393700000000 ] - [ 0.0000753100000000, 0.0000232400000000, 0.0004864700000000 ] - [ 0.0000829900000000, -0.0009229500000000, 0.0013132200000000 ] - [ -0.0000866800000000, -0.0018020800000000, 0.0025470600000000 ] - [ -0.0002359300000000, 0.0003992400000000, 0.0023919500000000 ] - [ 0.0017518700000000, 0.0016585600000000, 0.0037897800000000 ] - [ -0.0071862600000000, 0.0028646200000000, -0.0004215800000000 ] - [ -0.0249639800000000, -0.0026687700000000, -0.0567733100000000 ] - [ 0.0006439300000000, -0.0000735500000000, -0.0002579700000000 ] - [ 0.0007036500000000, -0.0001794900000000, -0.0004535000000000 ] - [ -0.0007236700000000, 0.0005667700000000, 0.0006155800000000 ] - [ -0.0016956200000000, 0.0010909600000000, 0.0012166900000000 ] - [ 0.0040608500000000, -0.0033561000000000, 0.0044982900000000 ] - [ -0.0034316900000000, -0.0074456200000000, 0.0050732800000000 ] - [ 0.0001083300000000, -0.0022943600000000, 0.0016607700000000 ] - [ 0.0016484900000000, -0.0019960500000000, 0.0007771800000000 ] - [ -0.0018615700000000, 0.0057786600000000, 0.0030295000000000 ] - [ 0.0012173500000000, 0.0017096400000000, 0.0017357800000000 ] - [ -0.0001118100000000, 0.0011526700000000, 0.0029336900000000 ] - [ -0.0009579100000000, 0.0003173000000000, 0.0010070800000000 ] - [ 0.0000957000000000, -0.0017962700000000, 0.0043966400000000 ] - [ -0.0014622100000000, -0.0012683900000000, 0.0022954300000000 ]- atom: 17 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ 0.0202360300000000, 0.0255335600000000, 0.0009157300000000 ] - [ 0.0175128100000000, -0.0372137800000000, -0.0034131000000000 ] - [ 0.0019109900000000, -0.0028461300000000, -0.0006144400000000 ] - [ -0.0007329500000000, 0.0008439400000000, -0.0009910900000000 ] - [ -0.0008403900000000, 0.0020752500000000, -0.0003691000000000 ] - [ 0.0014338300000000, -0.0007630000000000, 0.0023899800000000 ] - [ -0.0007327600000000, -0.0005781500000000, -0.0020024100000000 ] - [ 0.0012348800000000, 0.0026856900000000, 0.0016338500000000 ] - [ 0.0034829600000000, 0.0006049300000000, -0.0016068300000000 ] - [ -0.0000403700000000, -0.0009799400000000, 0.0027273400000000 ] - [ 0.0004900700000000, 0.0004883300000000, -0.0001683300000000 ] - [ 0.0001080600000000, 0.0004895000000000, -0.0001205700000000 ] - [ 0.0199181600000000, 0.0289666400000000, 0.0298638400000000 ] - [ 0.0234081000000000, -0.0200833800000000, -0.0204128200000000 ] - [ -0.0007681600000000, -0.0023451400000000, 0.0005485100000000 ] - [ 0.0002077800000000, 0.0002428500000000, -0.0000551800000000 ] - [ -0.3834697700000000, 0.0106349800000000, -0.0265019300000000 ] - [ 0.0140479900000000, -0.0005837300000000, -0.0001069600000000 ] - [ -0.0004572000000000, 0.0000464000000000, -0.0002776000000000 ] - [ 0.0006391900000000, -0.0000744700000000, -0.0002326900000000 ] - [ -0.0047962800000000, 0.0002147800000000, 0.0003905400000000 ] - [ 0.0025124800000000, -0.0003645900000000, 0.0002196000000000 ] - [ -0.0006289100000000, -0.0002170900000000, 0.0000820800000000 ] - [ 0.0003318500000000, -0.0002190200000000, 0.0001312300000000 ] - [ -0.0038178000000000, 0.0002280400000000, -0.0011786200000000 ] - [ 0.0033804300000000, -0.0005994600000000, 0.0008790000000000 ] - [ -0.0038155400000000, -0.0016085400000000, -0.0002803600000000 ] - [ 0.0033826300000000, 0.0009093900000000, -0.0002710800000000 ] - [ -0.0313025000000000, 0.0035651300000000, -0.0025086700000000 ] - [ 0.0060568600000000, -0.0012795700000000, 0.0026935100000000 ] - [ -0.0008957100000000, 0.0001025600000000, -0.0002148000000000 ] - [ 0.0002669400000000, 0.0001026800000000, -0.0001009800000000 ] - [ -0.0036263000000000, 0.0020392200000000, -0.0000668900000000 ] - [ 0.0020149500000000, -0.0006452800000000, -0.0000119400000000 ] - [ -0.0005817600000000, -0.0003333100000000, -0.0000236600000000 ] - [ 0.0008103100000000, 0.0001898600000000, -0.0001342500000000 ] - [ -0.0039030900000000, -0.0020443400000000, 0.0007363800000000 ] - [ 0.0045090300000000, 0.0026458800000000, 0.0001564300000000 ] - [ -0.0007671500000000, 0.0003708600000000, 0.0007007100000000 ] - [ 0.0009010800000000, -0.0003529100000000, 0.0003528100000000 ] - [ -0.0201724400000000, -0.0042270200000000, 0.0049779200000000 ] - [ 0.0045250100000000, -0.0012174500000000, -0.0025824500000000 ] - [ -0.0010354000000000, -0.0001469000000000, -0.0001499300000000 ] - [ 0.0004526200000000, -0.0003490400000000, -0.0000821200000000 ] - [ -0.0161819700000000, -0.0073872400000000, 0.0090042700000000 ] - [ 0.0039428200000000, 0.0038051400000000, -0.0015368000000000 ] - [ -0.0025950200000000, 0.0010697300000000, -0.0011247500000000 ] - [ 0.0029900800000000, -0.0009946000000000, 0.0013390800000000 ] - [ 0.0009083900000000, 0.0008888600000000, -0.0001863100000000 ] - [ -0.0008855700000000, -0.0006887500000000, -0.0000933400000000 ] - [ 0.0005229800000000, -0.0010900500000000, -0.0004308100000000 ] - [ -0.0006261500000000, 0.0003659300000000, 0.0001404700000000 ] - [ 0.0076472200000000, 0.0037786400000000, -0.0080341400000000 ] - [ -0.0030370100000000, -0.0017675100000000, 0.0012548700000000 ] - [ 0.0010067000000000, 0.0002399000000000, 0.0002485200000000 ] - [ 0.0005492400000000, -0.0000520700000000, 0.0003736400000000 ] - [ 0.0636628200000000, -0.0350336400000000, -0.0010296100000000 ] - [ -0.0088652900000000, -0.0021544700000000, 0.0024814600000000 ] - [ 0.0006246900000000, -0.0003458900000000, 0.0001677700000000 ] - [ -0.0008056200000000, 0.0002460100000000, -0.0000359100000000 ] - [ 0.0090765700000000, 0.0020239100000000, 0.0014774000000000 ] - [ -0.0030106600000000, 0.0001130700000000, -0.0010610500000000 ] - [ 0.0021687800000000, 0.0017280400000000, -0.0000318200000000 ] - [ -0.0020795400000000, -0.0011320700000000, -0.0002854600000000 ] - [ -0.0025419600000000, 0.0046947100000000, -0.0031102000000000 ] - [ -0.0009772700000000, -0.0008994900000000, 0.0001127100000000 ] - [ -0.0001745400000000, -0.0035044200000000, -0.0017776200000000 ] - [ -0.0032619300000000, 0.0033178500000000, 0.0029828800000000 ] - [ 0.0012984800000000, 0.0037268700000000, 0.0010482500000000 ] - [ -0.0024767300000000, -0.0044012100000000, 0.0015518400000000 ] - [ 0.0021775200000000, -0.0019051900000000, 0.0012568100000000 ] - [ -0.0027927600000000, 0.0029663800000000, -0.0025408700000000 ] - [ 0.0618122800000000, 0.0269896000000000, 0.0199903900000000 ] - [ -0.0066618800000000, 0.0002861400000000, 0.0027141700000000 ] - [ 0.0009781400000000, 0.0005026400000000, -0.0001429200000000 ] - [ 0.0002933900000000, 0.0000935100000000, -0.0000460200000000 ] - [ 0.0093125800000000, 0.0016188700000000, -0.0045958700000000 ] - [ -0.0033643000000000, -0.0001536100000000, 0.0014883300000000 ] - [ 0.0008847700000000, -0.0004450600000000, -0.0001865400000000 ] - [ -0.0011026400000000, -0.0001757400000000, 0.0001681400000000 ] - [ 0.0045852000000000, 0.0012955100000000, -0.0001619400000000 ] - [ -0.0019350200000000, 0.0003048600000000, 0.0004520700000000 ] - [ 0.0003642200000000, 0.0001836600000000, -0.0000560100000000 ] - [ -0.0001339600000000, 0.0002877300000000, -0.0000092600000000 ] - [ 0.0039203700000000, -0.0033749000000000, 0.0067661400000000 ] - [ -0.0011763000000000, 0.0007092800000000, -0.0005246600000000 ] - [ 0.0008158700000000, 0.0000028500000000, -0.0002173400000000 ] - [ 0.0003068300000000, -0.0001973200000000, -0.0001632700000000 ] - [ 0.0017842700000000, 0.0001096200000000, 0.0001919700000000 ] - [ -0.0016772200000000, -0.0004900000000000, -0.0004951800000000 ] - [ 0.0003012600000000, -0.0003340800000000, -0.0001310900000000 ] - [ -0.0006494800000000, 0.0000820600000000, -0.0004403200000000 ] - [ 0.1814084000000000, -0.0024266200000000, 0.0022269800000000 ] - [ -0.0127523200000000, 0.0003235400000000, -0.0006523400000000 ] - [ 0.0002857100000000, 0.0002181100000000, -0.0000541100000000 ] - [ -0.0005650800000000, 0.0004219200000000, -0.0002198200000000 ] - [ 0.0039808500000000, -0.0006999100000000, -0.0013235200000000 ] - [ -0.0024540900000000, -0.0004501700000000, 0.0006346800000000 ] - [ 0.0004184200000000, 0.0002034200000000, 0.0000878400000000 ] - [ -0.0018450100000000, -0.0001636900000000, 0.0005209100000000 ] - [ 0.0551797800000000, 0.0012875500000000, -0.0049469500000000 ] - [ -0.0105412100000000, 0.0017471600000000, -0.0029284100000000 ] - [ 0.0002552700000000, 0.0003049000000000, 0.0004601100000000 ] - [ -0.0003019200000000, 0.0002768100000000, 0.0003802000000000 ] - [ 0.0010167500000000, -0.0021392600000000, -0.0031667100000000 ] - [ -0.0012031200000000, 0.0002432700000000, 0.0007016400000000 ] - [ 0.0002518100000000, 0.0001480800000000, 0.0001430500000000 ] - [ -0.0002875100000000, -0.0003765900000000, 0.0003266700000000 ] - [ 0.0015812500000000, -0.0007170500000000, -0.0008889200000000 ] - [ -0.0018460500000000, -0.0001718200000000, -0.0006266400000000 ] - [ 0.0004535000000000, -0.0002008900000000, -0.0003439500000000 ] - [ -0.0003472100000000, -0.0002866800000000, -0.0005133700000000 ] - [ 0.0093010200000000, 0.0000300800000000, 0.0041387500000000 ] - [ -0.0024157400000000, 0.0005332000000000, -0.0016091200000000 ] - [ 0.0012498400000000, -0.0003307100000000, 0.0006637300000000 ] - [ -0.0000276300000000, 0.0003972600000000, 0.0000810000000000 ] - [ 0.0034562100000000, -0.0014586800000000, -0.0012550000000000 ] - [ -0.0043102200000000, 0.0015428500000000, 0.0020358000000000 ] - [ 0.0002354400000000, 0.0009361200000000, -0.0004189800000000 ] - [ -0.0015970400000000, 0.0002651200000000, 0.0002035700000000 ] - [ 0.0011692800000000, 0.0006369100000000, -0.0013597400000000 ] - [ -0.0010166800000000, -0.0010175200000000, -0.0000162700000000 ] - [ 0.0004055800000000, -0.0005125600000000, 0.0001192800000000 ] - [ -0.0000748800000000, 0.0001399000000000, 0.0003198800000000 ] - [ 0.0010262500000000, 0.0019777200000000, 0.0033629000000000 ] - [ -0.0048675000000000, 0.0004985800000000, -0.0067585500000000 ] - [ -0.0006032000000000, -0.0001437200000000, -0.0003824500000000 ] - [ -0.0009321700000000, 0.0001510900000000, -0.0006248700000000 ]- atom: 17 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ -0.0195421900000000, -0.0268914500000000, -0.0014553900000000 ] - [ -0.0167792500000000, 0.0357297700000000, 0.0028750700000000 ] - [ -0.0013071700000000, 0.0016357700000000, 0.0000521100000000 ] - [ 0.0013147100000000, -0.0020144400000000, 0.0004265100000000 ] - [ 0.0002503300000000, -0.0008677900000000, 0.0009159700000000 ] - [ -0.0019963400000000, 0.0019613800000000, -0.0018176800000000 ] - [ 0.0001469600000000, 0.0017534500000000, 0.0025389000000000 ] - [ -0.0017923200000000, -0.0014737900000000, -0.0010615400000000 ] - [ -0.0028653900000000, 0.0005748000000000, 0.0010175600000000 ] - [ 0.0006207100000000, 0.0021621900000000, -0.0032641800000000 ] - [ 0.0000961600000000, 0.0007052800000000, -0.0003880800000000 ] - [ 0.0004724100000000, 0.0007037300000000, -0.0004362100000000 ] - [ -0.0203406100000000, -0.0299868800000000, -0.0290787300000000 ] - [ -0.0239097700000000, 0.0189996800000000, 0.0211348000000000 ] - [ 0.0001774700000000, 0.0011425000000000, 0.0000091000000000 ] - [ -0.0007826800000000, -0.0014284700000000, 0.0006090400000000 ] - [ 0.3688951900000000, -0.0101933200000000, 0.0235626300000000 ] - [ -0.0138578200000000, 0.0008280800000000, -0.0002362000000000 ] - [ 0.0006704100000000, 0.0002097400000000, -0.0000697400000000 ] - [ -0.0004131100000000, 0.0003281100000000, -0.0001129300000000 ] - [ 0.0045469800000000, -0.0004809000000000, -0.0000237500000000 ] - [ -0.0027187000000000, 0.0001109600000000, 0.0001188300000000 ] - [ 0.0004032400000000, -0.0000365900000000, 0.0002634500000000 ] - [ -0.0005477000000000, -0.0000361600000000, 0.0002144100000000 ] - [ 0.0035620200000000, 0.0000154000000000, 0.0015354200000000 ] - [ -0.0035802000000000, 0.0008536100000000, -0.0005274900000000 ] - [ 0.0035653400000000, 0.0018550100000000, 0.0006118700000000 ] - [ -0.0035792800000000, -0.0006482200000000, 0.0006127200000000 ] - [ 0.0306181800000000, -0.0033251200000000, 0.0020249700000000 ] - [ -0.0065141600000000, 0.0014802100000000, -0.0030252700000000 ] - [ 0.0003912800000000, 0.0001019500000000, -0.0001378600000000 ] - [ -0.0007610000000000, 0.0001017300000000, -0.0002512300000000 ] - [ 0.0038109300000000, -0.0022748200000000, -0.0002749700000000 ] - [ -0.0017789300000000, 0.0003879300000000, -0.0003359200000000 ] - [ 0.0007963400000000, 0.0000768400000000, -0.0003214200000000 ] - [ -0.0005848500000000, -0.0004429100000000, -0.0002115000000000 ] - [ 0.0043789200000000, 0.0018323000000000, -0.0003940800000000 ] - [ -0.0039866900000000, -0.0028326500000000, 0.0001978600000000 ] - [ 0.0012579300000000, -0.0005685400000000, -0.0003441100000000 ] - [ -0.0003967700000000, 0.0001462300000000, 0.0000013400000000 ] - [ 0.0194521600000000, 0.0040809500000000, -0.0052736200000000 ] - [ -0.0049942900000000, 0.0009954900000000, 0.0022044800000000 ] - [ 0.0005282900000000, -0.0000561000000000, -0.0002017700000000 ] - [ -0.0009449700000000, 0.0001445800000000, -0.0002703800000000 ] - [ 0.0165038900000000, 0.0075234000000000, -0.0086417600000000 ] - [ -0.0034224300000000, -0.0035682800000000, 0.0018776100000000 ] - [ 0.0030688100000000, -0.0008523700000000, 0.0014709600000000 ] - [ -0.0024721900000000, 0.0011887700000000, -0.0009802100000000 ] - [ -0.0010856800000000, -0.0005850500000000, 0.0002005200000000 ] - [ 0.0006958800000000, 0.0009790500000000, 0.0001048100000000 ] - [ -0.0006988300000000, 0.0013748800000000, 0.0004385000000000 ] - [ 0.0004412300000000, -0.0000657500000000, -0.0001253400000000 ] - [ -0.0060846300000000, -0.0037039200000000, 0.0086582400000000 ] - [ 0.0045355000000000, 0.0018202600000000, -0.0005006500000000 ] - [ 0.0005364500000000, -0.0001790400000000, 0.0004940100000000 ] - [ 0.0009903500000000, 0.0001116200000000, 0.0003683400000000 ] - [ -0.0638460500000000, 0.0360758400000000, 0.0009858900000000 ] - [ 0.0086654300000000, 0.0018430400000000, -0.0024766400000000 ] - [ -0.0008008800000000, 0.0000415100000000, -0.0001522600000000 ] - [ 0.0006198700000000, -0.0005402700000000, 0.0000470300000000 ] - [ -0.0089875500000000, -0.0016310200000000, -0.0022407200000000 ] - [ 0.0030730000000000, 0.0003290600000000, 0.0002974200000000 ] - [ -0.0020737200000000, -0.0012734100000000, -0.0007202400000000 ] - [ 0.0021521300000000, 0.0015752200000000, -0.0004684600000000 ] - [ 0.0009800900000000, -0.0045587400000000, 0.0023122100000000 ] - [ -0.0005644300000000, 0.0009497200000000, -0.0008506200000000 ] - [ -0.0013680900000000, 0.0035211300000000, 0.0010231200000000 ] - [ 0.0017060700000000, -0.0032339800000000, -0.0037086400000000 ] - [ -0.0010186200000000, -0.0033180400000000, -0.0006368300000000 ] - [ 0.0027388200000000, 0.0047481800000000, -0.0011513200000000 ] - [ -0.0018950800000000, 0.0022586300000000, -0.0008549000000000 ] - [ 0.0030473200000000, -0.0025747400000000, 0.0029175400000000 ] - [ -0.0604902300000000, -0.0273483100000000, -0.0207618400000000 ] - [ 0.0077606100000000, -0.0000070300000000, -0.0029683700000000 ] - [ 0.0001422200000000, -0.0002395600000000, -0.0001210100000000 ] - [ 0.0008178900000000, 0.0001642200000000, -0.0002165500000000 ] - [ -0.0090796300000000, -0.0018542100000000, 0.0045632500000000 ] - [ 0.0035237300000000, -0.0001395300000000, -0.0014944000000000 ] - [ -0.0006927500000000, 0.0001425200000000, 0.0001671800000000 ] - [ 0.0012749500000000, -0.0001239400000000, -0.0001792500000000 ] - [ -0.0043586700000000, -0.0009891500000000, 0.0001509500000000 ] - [ 0.0021051500000000, -0.0000038300000000, -0.0004494100000000 ] - [ -0.0001824100000000, 0.0001145100000000, 0.0000429500000000 ] - [ 0.0003146300000000, 0.0000106900000000, -0.0000017600000000 ] - [ -0.0027730700000000, 0.0030939300000000, -0.0069679100000000 ] - [ 0.0022793200000000, -0.0009657900000000, 0.0002606300000000 ] - [ 0.0003014000000000, -0.0002621200000000, -0.0000498000000000 ] - [ 0.0008060000000000, -0.0000649100000000, -0.0001021200000000 ] - [ -0.0020389600000000, -0.0004809100000000, -0.0005819400000000 ] - [ 0.0013891200000000, 0.0001179700000000, 0.0000977600000000 ] - [ -0.0005712000000000, -0.0000393000000000, -0.0002636800000000 ] - [ 0.0003733000000000, -0.0004537600000000, 0.0000420200000000 ] - [ -0.1661400200000000, 0.0024721900000000, -0.0011342800000000 ] - [ 0.0124985700000000, 0.0000540700000000, 0.0002275400000000 ] - [ -0.0005551300000000, 0.0001516100000000, -0.0003405400000000 ] - [ 0.0002878900000000, -0.0000491700000000, -0.0001766600000000 ] - [ -0.0050631900000000, 0.0004321700000000, 0.0015910200000000 ] - [ 0.0013311900000000, 0.0001817000000000, -0.0003585700000000 ] - [ -0.0015252400000000, -0.0004609500000000, 0.0001742300000000 ] - [ 0.0007189300000000, -0.0000970800000000, -0.0002522300000000 ] - [ -0.0562070300000000, -0.0013778100000000, 0.0071688000000000 ] - [ 0.0104942200000000, -0.0013058800000000, 0.0037038200000000 ] - [ -0.0003349900000000, 0.0001439000000000, 0.0002947200000000 ] - [ 0.0002158800000000, 0.0001713800000000, 0.0003741700000000 ] - [ -0.0010893200000000, 0.0016604700000000, 0.0038476200000000 ] - [ 0.0011105800000000, -0.0006865300000000, 0.0000602800000000 ] - [ -0.0003320000000000, -0.0005950200000000, 0.0006077900000000 ] - [ 0.0002016500000000, -0.0000752200000000, 0.0004275100000000 ] - [ -0.0014877400000000, 0.0002627500000000, 0.0001329500000000 ] - [ 0.0019134800000000, -0.0002758800000000, -0.0001244500000000 ] - [ -0.0003650900000000, -0.0002488100000000, -0.0004106400000000 ] - [ 0.0004267200000000, -0.0001641600000000, -0.0002420700000000 ] - [ -0.0077473100000000, -0.0000436900000000, -0.0033472100000000 ] - [ 0.0039235200000000, -0.0005793300000000, 0.0023380600000000 ] - [ 0.0002970700000000, 0.0002663400000000, 0.0000838200000000 ] - [ 0.0015608100000000, -0.0004568400000000, 0.0006585400000000 ] - [ -0.0045542300000000, 0.0017203400000000, 0.0015180100000000 ] - [ 0.0031741700000000, -0.0012776800000000, -0.0017631900000000 ] - [ -0.0013457500000000, -0.0006709800000000, 0.0006810800000000 ] - [ 0.0004739900000000, -0.0000024700000000, 0.0000615600000000 ] - [ -0.0008958300000000, -0.0010036100000000, 0.0017539200000000 ] - [ 0.0012845300000000, 0.0006398800000000, 0.0004154700000000 ] - [ -0.0001311300000000, 0.0001376400000000, 0.0002755300000000 ] - [ 0.0003452500000000, -0.0005089400000000, 0.0000771600000000 ] - [ -0.0025605400000000, -0.0020202700000000, -0.0040842000000000 ] - [ 0.0033047900000000, -0.0005509300000000, 0.0059745600000000 ] - [ -0.0009383300000000, 0.0000808700000000, -0.0003614500000000 ] - [ -0.0006101900000000, -0.0002107100000000, -0.0001199200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0339498200000000, 0.0194772400000000, -0.0095858300000000 ] - [ -0.0160518900000000, 0.0002942900000000, -0.0031101000000000 ] - [ -0.0036113500000000, 0.0078085300000000, 0.0001163800000000 ] - [ 0.0038789200000000, 0.0053753600000000, -0.0009066700000000 ] - [ 0.0035592800000000, 0.0020344400000000, -0.0032953900000000 ] - [ -0.0037177700000000, 0.0011234800000000, -0.0063700000000000 ] - [ -0.0029416000000000, 0.0046258200000000, 0.0025253000000000 ] - [ 0.0021632200000000, 0.0054917900000000, 0.0039586400000000 ] - [ 0.0021014800000000, -0.0078979300000000, 0.0011454200000000 ] - [ -0.0015585100000000, -0.0049013300000000, 0.0000676300000000 ] - [ 0.0002784900000000, 0.0050773600000000, -0.0001980500000000 ] - [ 0.0004876500000000, 0.0046967100000000, -0.0000687500000000 ] - [ 0.0122562700000000, -0.0066276800000000, 0.0054834600000000 ] - [ -0.0277788800000000, -0.0146706000000000, 0.0318389300000000 ] - [ -0.0010250000000000, 0.0042849100000000, 0.0002206500000000 ] - [ 0.0005298900000000, 0.0053883200000000, 0.0000510400000000 ] - [ 0.0146298500000000, -0.3399414100000000, -0.0281940600000000 ] - [ -0.0006072700000000, -0.0014478100000000, -0.0007528400000000 ] - [ 0.0000266700000000, 0.0034559900000000, 0.0001789600000000 ] - [ -0.0000907300000000, 0.0026822200000000, 0.0000420100000000 ] - [ 0.0002441000000000, -0.0093223900000000, -0.0061693800000000 ] - [ -0.0003480600000000, -0.0035236700000000, -0.0005529900000000 ] - [ -0.0002022500000000, 0.0026487200000000, 0.0007150200000000 ] - [ -0.0002007500000000, 0.0022062500000000, 0.0005885700000000 ] - [ 0.0016093200000000, 0.0057983600000000, 0.0060698600000000 ] - [ -0.0008893700000000, 0.0010639000000000, 0.0007782500000000 ] - [ -0.0002244100000000, 0.0057579200000000, -0.0012514400000000 ] - [ 0.0006195400000000, 0.0010752100000000, -0.0009960500000000 ] - [ -0.0057645100000000, 0.0015852000000000, -0.0167344600000000 ] - [ -0.0004402600000000, -0.0033219500000000, -0.0007307200000000 ] - [ -0.0003982600000000, 0.0032241900000000, 0.0008227400000000 ] - [ -0.0003382200000000, 0.0023783500000000, 0.0005731000000000 ] - [ -0.0020590600000000, 0.0008379000000000, 0.0019180000000000 ] - [ 0.0006275200000000, -0.0004946200000000, 0.0004253700000000 ] - [ 0.0003139800000000, 0.0011042100000000, -0.0004827600000000 ] - [ -0.0002058200000000, 0.0007317700000000, -0.0004841500000000 ] - [ -0.0009534800000000, -0.0015284500000000, 0.0026030300000000 ] - [ -0.0011611500000000, -0.0019847600000000, 0.0013794300000000 ] - [ 0.0003719900000000, 0.0021843100000000, -0.0000500200000000 ] - [ 0.0005828400000000, 0.0012931600000000, 0.0002028800000000 ] - [ -0.0176656400000000, 0.0061940600000000, 0.0286473600000000 ] - [ 0.0020442800000000, -0.0040226900000000, 0.0004966400000000 ] - [ -0.0000421800000000, 0.0028743100000000, -0.0012877100000000 ] - [ -0.0006337900000000, 0.0021808100000000, -0.0010035300000000 ] - [ 0.0125310600000000, 0.0423728200000000, -0.0203444200000000 ] - [ -0.0014331500000000, -0.0022869100000000, 0.0000421700000000 ] - [ -0.0008108400000000, 0.0046800900000000, -0.0004988600000000 ] - [ 0.0012143900000000, 0.0022052700000000, 0.0004336100000000 ] - [ -0.0001663400000000, 0.0001728100000000, 0.0000134200000000 ] - [ -0.0003434600000000, 0.0004089400000000, 0.0002339600000000 ] - [ 0.0003563500000000, -0.0019805900000000, -0.0010014500000000 ] - [ 0.0003699300000000, -0.0003386300000000, -0.0004882700000000 ] - [ 0.0042509700000000, 0.0038568300000000, 0.0017326700000000 ] - [ 0.0010948300000000, 0.0047777100000000, -0.0006599100000000 ] - [ 0.0000029500000000, -0.0018892700000000, 0.0001828300000000 ] - [ 0.0000844300000000, -0.0015856800000000, 0.0003793500000000 ] - [ -0.0289850600000000, 0.1225726100000000, -0.0245946100000000 ] - [ 0.0011080500000000, 0.0030253100000000, -0.0007485800000000 ] - [ 0.0000522800000000, -0.0034288400000000, 0.0007311400000000 ] - [ -0.0003103100000000, -0.0025535700000000, 0.0003999200000000 ] - [ -0.0090682700000000, -0.0100771100000000, -0.0039581500000000 ] - [ 0.0025496500000000, -0.0001573100000000, -0.0007749100000000 ] - [ 0.0010818000000000, -0.0021930200000000, -0.0002135900000000 ] - [ -0.0016889200000000, -0.0024753100000000, -0.0001650300000000 ] - [ 0.0045580000000000, -0.0110253500000000, 0.0057446900000000 ] - [ -0.0013651100000000, 0.0001770200000000, -0.0000424900000000 ] - [ -0.0009752400000000, -0.0044558400000000, -0.0024927200000000 ] - [ -0.0003728500000000, -0.0007203900000000, 0.0004795900000000 ] - [ 0.0019314400000000, -0.0059552400000000, -0.0020521200000000 ] - [ 0.0000386600000000, 0.0009591100000000, -0.0005317400000000 ] - [ -0.0002823300000000, -0.0036539300000000, 0.0017699700000000 ] - [ 0.0000215200000000, -0.0010016600000000, 0.0003048300000000 ] - [ 0.0219148700000000, 0.0705932600000000, 0.0431895300000000 ] - [ 0.0007544400000000, 0.0022661000000000, 0.0010619600000000 ] - [ -0.0001974600000000, -0.0023831000000000, -0.0003306900000000 ] - [ -0.0001930900000000, -0.0015308800000000, 0.0000141800000000 ] - [ 0.0021246300000000, -0.0018959900000000, 0.0023692200000000 ] - [ -0.0023314900000000, 0.0015297300000000, 0.0025691200000000 ] - [ -0.0002113700000000, -0.0037279800000000, -0.0015665700000000 ] - [ 0.0010838200000000, -0.0019539200000000, -0.0009502400000000 ] - [ 0.0037829500000000, 0.0072251200000000, -0.0055703400000000 ] - [ -0.0003265600000000, 0.0033060100000000, -0.0008138600000000 ] - [ 0.0000621500000000, -0.0023490900000000, 0.0005879200000000 ] - [ 0.0001104900000000, -0.0020741900000000, 0.0005222400000000 ] - [ -0.0001719100000000, 0.0004391700000000, 0.0015955900000000 ] - [ 0.0005960000000000, 0.0010169800000000, -0.0003606100000000 ] - [ 0.0009661000000000, -0.0016121500000000, -0.0003045900000000 ] - [ 0.0009549200000000, -0.0012499700000000, -0.0001284600000000 ] - [ 0.0012006900000000, 0.0004579400000000, -0.0006645400000000 ] - [ -0.0008971400000000, 0.0011210500000000, -0.0012422200000000 ] - [ -0.0003969200000000, -0.0016060600000000, 0.0001715000000000 ] - [ 0.0001990000000000, -0.0018284000000000, 0.0004094000000000 ] - [ -0.0040237800000000, 0.0577161000000000, 0.0058096400000000 ] - [ 0.0004253100000000, 0.0092760300000000, 0.0018790400000000 ] - [ -0.0000952200000000, -0.0023734700000000, -0.0007438000000000 ] - [ 0.0000681800000000, -0.0026132600000000, -0.0009005600000000 ] - [ -0.0067127300000000, -0.0021674500000000, 0.0115163300000000 ] - [ 0.0007834200000000, 0.0013100100000000, 0.0013530000000000 ] - [ -0.0004294200000000, -0.0021963100000000, -0.0007725200000000 ] - [ -0.0013970000000000, -0.0018541900000000, -0.0002668500000000 ] - [ 0.0004374900000000, 0.0478876900000000, -0.0067142700000000 ] - [ -0.0010236100000000, 0.0023125200000000, -0.0005041900000000 ] - [ 0.0000990100000000, -0.0021360000000000, 0.0003868400000000 ] - [ 0.0000193600000000, -0.0016067200000000, 0.0001868200000000 ] - [ -0.0002545500000000, -0.0033206200000000, -0.0090691700000000 ] - [ 0.0000064200000000, 0.0006984500000000, -0.0003472100000000 ] - [ -0.0001261000000000, -0.0019512200000000, 0.0012939000000000 ] - [ -0.0001780300000000, -0.0015283400000000, 0.0007170800000000 ] - [ -0.0006763300000000, 0.0027939400000000, 0.0001446400000000 ] - [ 0.0003407800000000, 0.0017177200000000, -0.0004397000000000 ] - [ 0.0002636800000000, -0.0018775300000000, -0.0003277300000000 ] - [ -0.0000535600000000, -0.0017106200000000, -0.0005283700000000 ] - [ 0.0096589500000000, -0.0059042200000000, -0.0028770400000000 ] - [ -0.0038209700000000, -0.0003967100000000, -0.0029656100000000 ] - [ 0.0007177100000000, -0.0017746900000000, 0.0011394400000000 ] - [ 0.0024225700000000, -0.0014497600000000, 0.0015391400000000 ] - [ -0.0020898300000000, 0.0004113400000000, -0.0036045500000000 ] - [ 0.0016984900000000, -0.0010441900000000, -0.0014369700000000 ] - [ 0.0002057500000000, -0.0023872300000000, 0.0010220600000000 ] - [ -0.0005958900000000, -0.0009466100000000, 0.0007397700000000 ] - [ 0.0008719300000000, 0.0044771000000000, 0.0030854000000000 ] - [ 0.0001241800000000, 0.0024973900000000, 0.0011193600000000 ] - [ 0.0001345300000000, -0.0024876200000000, -0.0004672600000000 ] - [ 0.0003072000000000, -0.0022922000000000, -0.0002774000000000 ] - [ -0.0008061900000000, 0.0040606900000000, -0.0018166100000000 ] - [ 0.0005933400000000, 0.0015249900000000, -0.0005022700000000 ] - [ -0.0015023800000000, -0.0018217900000000, -0.0002035800000000 ] - [ -0.0012262500000000, -0.0012865500000000, -0.0002304000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0335561000000000, -0.0206802100000000, 0.0090592900000000 ] - [ 0.0167693500000000, -0.0014369700000000, 0.0025459700000000 ] - [ 0.0041875400000000, -0.0090020800000000, -0.0006841300000000 ] - [ -0.0032631800000000, -0.0065424200000000, 0.0003471700000000 ] - [ -0.0041092700000000, -0.0008345900000000, 0.0038318400000000 ] - [ 0.0031244500000000, 0.0000852000000000, 0.0069270600000000 ] - [ 0.0023664400000000, -0.0034325500000000, -0.0019800000000000 ] - [ -0.0027454100000000, -0.0042737400000000, -0.0034067300000000 ] - [ -0.0015127400000000, 0.0090613800000000, -0.0017431400000000 ] - [ 0.0021366800000000, 0.0060874800000000, -0.0006539500000000 ] - [ 0.0003032400000000, -0.0038809100000000, -0.0003573900000000 ] - [ 0.0000978600000000, -0.0034990700000000, -0.0004874100000000 ] - [ -0.0128228000000000, 0.0052638800000000, -0.0049278200000000 ] - [ 0.0271198600000000, 0.0133394900000000, -0.0312300100000000 ] - [ 0.0004490400000000, -0.0054763300000000, 0.0003388700000000 ] - [ -0.0011176800000000, -0.0065775000000000, 0.0005075400000000 ] - [ -0.0063025400000000, 0.3325396600000000, 0.0327995100000000 ] - [ 0.0008041300000000, 0.0017055100000000, 0.0004091000000000 ] - [ 0.0001903900000000, -0.0031992400000000, -0.0005260800000000 ] - [ 0.0003123000000000, -0.0024250300000000, -0.0003874800000000 ] - [ -0.0004588800000000, 0.0090170000000000, 0.0064843900000000 ] - [ 0.0001266000000000, 0.0032628200000000, 0.0008970800000000 ] - [ -0.0000211500000000, -0.0029009800000000, -0.0003705800000000 ] - [ -0.0000175800000000, -0.0024583400000000, -0.0002420900000000 ] - [ -0.0018481500000000, -0.0055090300000000, -0.0056725900000000 ] - [ 0.0006686300000000, -0.0008166000000000, -0.0004353300000000 ] - [ -0.0000135000000000, -0.0055496700000000, 0.0016081800000000 ] - [ -0.0008345300000000, -0.0008054500000000, 0.0013426500000000 ] - [ 0.0051659600000000, -0.0012079800000000, 0.0163840100000000 ] - [ -0.0000558400000000, 0.0035386200000000, 0.0003700500000000 ] - [ -0.0001042400000000, -0.0030132800000000, -0.0011715300000000 ] - [ -0.0001579300000000, -0.0021758600000000, -0.0009252300000000 ] - [ 0.0022572800000000, -0.0010675400000000, -0.0022697800000000 ] - [ -0.0004052900000000, 0.0002491400000000, -0.0007735600000000 ] - [ -0.0000962700000000, -0.0013577500000000, 0.0001383600000000 ] - [ 0.0004269200000000, -0.0009905700000000, 0.0001367800000000 ] - [ 0.0014401500000000, 0.0013118200000000, -0.0022505400000000 ] - [ 0.0016554900000000, 0.0017693200000000, -0.0010310800000000 ] - [ 0.0001203900000000, -0.0023818500000000, 0.0004106400000000 ] - [ -0.0000819800000000, -0.0014920500000000, 0.0001507300000000 ] - [ 0.0171287400000000, -0.0064333400000000, -0.0291493400000000 ] - [ -0.0025437000000000, 0.0038168400000000, -0.0008382600000000 ] - [ -0.0004627900000000, -0.0030731800000000, 0.0009325700000000 ] - [ 0.0001385700000000, -0.0023839600000000, 0.0006501200000000 ] - [ -0.0121975300000000, -0.0415571900000000, 0.0205501100000000 ] - [ 0.0019319000000000, 0.0024679000000000, 0.0003242000000000 ] - [ 0.0013031500000000, -0.0044844300000000, 0.0008448700000000 ] - [ -0.0007126900000000, -0.0019984300000000, -0.0000818900000000 ] - [ -0.0000135700000000, 0.0001271200000000, -0.0000000500000000 ] - [ 0.0001539700000000, -0.0001055000000000, -0.0002157800000000 ] - [ -0.0005351500000000, 0.0022643700000000, 0.0010111900000000 ] - [ -0.0005524200000000, 0.0006310700000000, 0.0005014500000000 ] - [ -0.0026796100000000, -0.0038021100000000, -0.0009306500000000 ] - [ 0.0004301300000000, -0.0047115600000000, 0.0014230300000000 ] - [ 0.0015367600000000, 0.0019468600000000, 0.0005580400000000 ] - [ 0.0014576400000000, 0.0016459700000000, 0.0003619400000000 ] - [ 0.0244615800000000, -0.1129652600000000, 0.0232899500000000 ] - [ -0.0012659400000000, -0.0032999700000000, 0.0007446500000000 ] - [ -0.0002315600000000, 0.0031286300000000, -0.0007177000000000 ] - [ 0.0001271900000000, 0.0022527400000000, -0.0003863200000000 ] - [ 0.0090734200000000, 0.0104184000000000, 0.0031701200000000 ] - [ -0.0024646200000000, 0.0006180400000000, 0.0000171500000000 ] - [ -0.0010039500000000, 0.0026504700000000, -0.0005399800000000 ] - [ 0.0017747000000000, 0.0029205800000000, -0.0005891800000000 ] - [ -0.0060978900000000, 0.0111517300000000, -0.0065708000000000 ] - [ -0.0001892300000000, -0.0001102700000000, -0.0007032300000000 ] - [ -0.0005461600000000, 0.0045138100000000, 0.0017649300000000 ] - [ -0.0011768600000000, 0.0007825100000000, -0.0012233500000000 ] - [ -0.0016301600000000, 0.0063205200000000, 0.0024518900000000 ] - [ 0.0002280200000000, -0.0005669700000000, 0.0009188100000000 ] - [ 0.0005742500000000, 0.0040252200000000, -0.0013741600000000 ] - [ 0.0002436000000000, 0.0013691400000000, 0.0000917100000000 ] - [ -0.0224855600000000, -0.0730056200000000, -0.0469770100000000 ] - [ 0.0003715700000000, -0.0020162400000000, -0.0013384900000000 ] - [ 0.0013166700000000, 0.0026426100000000, 0.0000678100000000 ] - [ 0.0013035800000000, 0.0017882000000000, -0.0002754600000000 ] - [ -0.0019471500000000, 0.0015532200000000, -0.0024066900000000 ] - [ 0.0025086000000000, -0.0018411100000000, -0.0025834700000000 ] - [ 0.0003979200000000, 0.0034146000000000, 0.0015421400000000 ] - [ -0.0009001100000000, 0.0016591100000000, 0.0009386800000000 ] - [ -0.0036272200000000, -0.0069203000000000, 0.0055715400000000 ] - [ 0.0005094400000000, -0.0030027300000000, 0.0008028800000000 ] - [ 0.0001185400000000, 0.0026450200000000, -0.0005994300000000 ] - [ 0.0000717500000000, 0.0023700000000000, -0.0005332500000000 ] - [ 0.0013053400000000, -0.0007341600000000, -0.0017903000000000 ] - [ 0.0005179100000000, -0.0012841000000000, 0.0001022700000000 ] - [ 0.0001510600000000, 0.0013501600000000, 0.0000354100000000 ] - [ 0.0001585200000000, 0.0009888700000000, -0.0001364900000000 ] - [ -0.0014657200000000, -0.0008390400000000, 0.0002758900000000 ] - [ 0.0006217500000000, -0.0014974700000000, 0.0008480700000000 ] - [ 0.0001237400000000, 0.0012319500000000, -0.0005673500000000 ] - [ -0.0004702400000000, 0.0014560600000000, -0.0008061000000000 ] - [ 0.0024142300000000, -0.0571027900000000, -0.0064226000000000 ] - [ -0.0006747000000000, -0.0088824800000000, -0.0022904000000000 ] - [ -0.0001778000000000, 0.0027423900000000, 0.0003478700000000 ] - [ -0.0003404500000000, 0.0029832700000000, 0.0005040800000000 ] - [ 0.0055455900000000, 0.0018709100000000, -0.0111686100000000 ] - [ -0.0018901200000000, -0.0015650300000000, -0.0010871700000000 ] - [ -0.0006860700000000, 0.0019360900000000, 0.0010404400000000 ] - [ 0.0002790800000000, 0.0015901400000000, 0.0005330200000000 ] - [ -0.0007711500000000, -0.0475986200000000, 0.0077714300000000 ] - [ 0.0009778400000000, -0.0018774600000000, 0.0012795100000000 ] - [ -0.0001793000000000, 0.0025824100000000, 0.0003671800000000 ] - [ -0.0001054200000000, 0.0020542100000000, 0.0005662800000000 ] - [ 0.0001751900000000, 0.0028526600000000, 0.0097606500000000 ] - [ -0.0000936100000000, -0.0011519100000000, 0.0011025000000000 ] - [ 0.0000462700000000, 0.0015029200000000, -0.0005429100000000 ] - [ 0.0000910200000000, 0.0010766800000000, 0.0000374000000000 ] - [ 0.0007573300000000, -0.0032303200000000, -0.0008834600000000 ] - [ -0.0002578800000000, -0.0021602000000000, -0.0003095300000000 ] - [ -0.0001780100000000, 0.0014252600000000, -0.0004275200000000 ] - [ 0.0001362700000000, 0.0012575200000000, -0.0002256900000000 ] - [ -0.0081639700000000, 0.0058586300000000, 0.0036453600000000 ] - [ 0.0053522200000000, 0.0003293300000000, 0.0036960200000000 ] - [ 0.0008238100000000, 0.0017060600000000, -0.0003915900000000 ] - [ -0.0008829000000000, 0.0013895100000000, -0.0007963600000000 ] - [ 0.0009638700000000, -0.0001402300000000, 0.0038506700000000 ] - [ -0.0028095200000000, 0.0013048400000000, 0.0017026400000000 ] - [ -0.0013196700000000, 0.0026548400000000, -0.0007626300000000 ] - [ -0.0005175100000000, 0.0012023600000000, -0.0004744200000000 ] - [ -0.0005902700000000, -0.0048394100000000, -0.0026547200000000 ] - [ 0.0001452100000000, -0.0028558500000000, -0.0007187500000000 ] - [ 0.0001393100000000, 0.0021123800000000, 0.0008640800000000 ] - [ -0.0000367200000000, 0.0019174200000000, 0.0006732600000000 ] - [ -0.0007244700000000, -0.0041113900000000, 0.0010811200000000 ] - [ -0.0021281100000000, -0.0015787300000000, -0.0002300500000000 ] - [ -0.0000390800000000, 0.0017590400000000, -0.0005419300000000 ] - [ -0.0003183100000000, 0.0012230300000000, -0.0005146500000000 ]- atom: 17 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ 0.0087060100000000, -0.0009733300000000, -0.0338882400000000 ] - [ -0.0010698700000000, -0.0031516100000000, -0.0094086700000000 ] - [ 0.0006943100000000, -0.0000911300000000, -0.0006495400000000 ] - [ 0.0001092600000000, -0.0002149100000000, -0.0010689100000000 ] - [ -0.0022178800000000, -0.0007142400000000, 0.0015596800000000 ] - [ 0.0006830300000000, -0.0010151700000000, 0.0007080100000000 ] - [ -0.0023144700000000, 0.0027000900000000, 0.0025332500000000 ] - [ 0.0018967500000000, 0.0028310400000000, 0.0039784400000000 ] - [ -0.0003313700000000, 0.0003072600000000, 0.0108169600000000 ] - [ -0.0009394000000000, 0.0004992500000000, 0.0094497000000000 ] - [ 0.0002925700000000, 0.0010920500000000, 0.0002892400000000 ] - [ 0.0002804100000000, 0.0010159900000000, 0.0003080700000000 ] - [ 0.0107433000000000, 0.0049453800000000, 0.0008712400000000 ] - [ -0.0203382700000000, 0.0239902400000000, -0.0001949700000000 ] - [ 0.0000195900000000, -0.0012142200000000, -0.0001156600000000 ] - [ -0.0007342000000000, -0.0011986800000000, -0.0001697400000000 ] - [ -0.0174539300000000, -0.0268243800000000, -0.2770445300000000 ] - [ 0.0000130400000000, -0.0004461300000000, 0.0002487200000000 ] - [ 0.0000118800000000, 0.0004799900000000, -0.0002477500000000 ] - [ 0.0000450300000000, 0.0003436200000000, -0.0003097300000000 ] - [ 0.0001418200000000, -0.0064124800000000, 0.0075646000000000 ] - [ -0.0000842000000000, -0.0008480300000000, 0.0006370100000000 ] - [ -0.0001967000000000, 0.0004164200000000, 0.0007165700000000 ] - [ -0.0001560800000000, 0.0002890400000000, 0.0004400800000000 ] - [ -0.0005161900000000, 0.0015565300000000, -0.0013739400000000 ] - [ -0.0005911200000000, 0.0013044800000000, -0.0003880900000000 ] - [ -0.0014311700000000, -0.0057342500000000, -0.0013723000000000 ] - [ 0.0005528200000000, -0.0004849500000000, -0.0003706400000000 ] - [ 0.0181353300000000, -0.0188043100000000, 0.0386301300000000 ] - [ -0.0022447500000000, -0.0019787300000000, -0.0008262800000000 ] - [ -0.0003903900000000, 0.0003562400000000, -0.0000497800000000 ] - [ -0.0003619600000000, 0.0004506900000000, -0.0000199800000000 ] - [ 0.0002409500000000, -0.0022422800000000, 0.0058251700000000 ] - [ 0.0002525100000000, -0.0007221200000000, 0.0007545800000000 ] - [ 0.0002661100000000, 0.0001898300000000, -0.0000157700000000 ] - [ 0.0001414100000000, 0.0001804400000000, 0.0000385600000000 ] - [ 0.0022905300000000, 0.0023355000000000, 0.0037314700000000 ] - [ -0.0001833100000000, 0.0002530200000000, 0.0017225500000000 ] - [ -0.0000440000000000, -0.0002034300000000, 0.0011904500000000 ] - [ 0.0003140600000000, -0.0000390400000000, 0.0007174800000000 ] - [ -0.0123433400000000, 0.0180773200000000, 0.0357139300000000 ] - [ 0.0013507200000000, -0.0013482200000000, -0.0004911500000000 ] - [ 0.0000155400000000, 0.0000016900000000, -0.0002450200000000 ] - [ -0.0002580900000000, 0.0001486000000000, -0.0003233400000000 ] - [ 0.0036236500000000, -0.0092038700000000, 0.0007221300000000 ] - [ 0.0000391300000000, 0.0006244000000000, -0.0011428700000000 ] - [ -0.0019392000000000, 0.0024200700000000, -0.0020201400000000 ] - [ 0.0006308700000000, 0.0004149400000000, -0.0002844700000000 ] - [ -0.0001497500000000, -0.0006702800000000, -0.0012312100000000 ] - [ 0.0003438200000000, -0.0003069700000000, -0.0008219800000000 ] - [ 0.0004654000000000, 0.0002374400000000, -0.0017226700000000 ] - [ 0.0002657200000000, 0.0003564700000000, -0.0005666200000000 ] - [ -0.0084909400000000, -0.0020098000000000, -0.0067740200000000 ] - [ 0.0045353300000000, 0.0001492700000000, -0.0022804900000000 ] - [ 0.0006913100000000, 0.0000723400000000, 0.0001500500000000 ] - [ 0.0007425800000000, -0.0000129800000000, 0.0001180200000000 ] - [ -0.0056427500000000, -0.0140429400000000, 0.0454447100000000 ] - [ -0.0013192300000000, -0.0010068600000000, 0.0007700200000000 ] - [ 0.0000733100000000, -0.0008614200000000, 0.0009433500000000 ] - [ -0.0003405300000000, -0.0004454700000000, 0.0003495600000000 ] - [ 0.0010988400000000, 0.0007703300000000, 0.0008956200000000 ] - [ 0.0004592200000000, -0.0007223700000000, 0.0006965700000000 ] - [ 0.0005222000000000, 0.0011511900000000, 0.0019275700000000 ] - [ -0.0005604500000000, -0.0005285600000000, -0.0000118100000000 ] - [ -0.0008660800000000, -0.0020338900000000, 0.0006451300000000 ] - [ -0.0002630600000000, -0.0000652500000000, 0.0002558900000000 ] - [ -0.0020434600000000, -0.0056976300000000, -0.0016044500000000 ] - [ -0.0003486900000000, 0.0000605300000000, 0.0007649600000000 ] - [ -0.0006375200000000, 0.0008729600000000, 0.0019981400000000 ] - [ 0.0005427900000000, -0.0003067600000000, 0.0003789500000000 ] - [ 0.0017576500000000, 0.0028003900000000, 0.0016316300000000 ] - [ -0.0006942400000000, 0.0008486200000000, 0.0001583500000000 ] - [ 0.0102066400000000, 0.0331925400000000, 0.0942266300000000 ] - [ -0.0006112100000000, 0.0011680100000000, 0.0016516500000000 ] - [ 0.0004088300000000, -0.0000536700000000, -0.0000118700000000 ] - [ 0.0005528700000000, 0.0000379000000000, -0.0000330600000000 ] - [ -0.0050772800000000, 0.0079139000000000, 0.0030405900000000 ] - [ -0.0002928800000000, 0.0019199300000000, 0.0026350600000000 ] - [ -0.0000581000000000, -0.0006964400000000, 0.0002249800000000 ] - [ 0.0000098100000000, -0.0007365400000000, -0.0000081700000000 ] - [ 0.0051882500000000, 0.0028797500000000, -0.0096768100000000 ] - [ -0.0002582300000000, 0.0007644500000000, -0.0010119600000000 ] - [ 0.0001574700000000, -0.0001882900000000, -0.0000999000000000 ] - [ 0.0001859700000000, -0.0001829000000000, -0.0000167000000000 ] - [ 0.0007038500000000, 0.0029244100000000, -0.0116175200000000 ] - [ 0.0007621600000000, 0.0006170500000000, -0.0012202400000000 ] - [ 0.0006165900000000, -0.0002263900000000, -0.0002204300000000 ] - [ 0.0006338500000000, -0.0002653000000000, -0.0002790600000000 ] - [ -0.0004395700000000, 0.0004273300000000, -0.0024798000000000 ] - [ -0.0004354900000000, 0.0007957800000000, -0.0013106100000000 ] - [ -0.0002797600000000, -0.0002744400000000, -0.0004133000000000 ] - [ -0.0002223000000000, -0.0003316300000000, -0.0003664800000000 ] - [ 0.0120657300000000, 0.0059860600000000, 0.0454530000000000 ] - [ 0.0017230200000000, 0.0017552600000000, 0.0040012800000000 ] - [ -0.0000456800000000, 0.0000400000000000, -0.0000883100000000 ] - [ -0.0000803700000000, 0.0000362500000000, -0.0000726100000000 ] - [ 0.0003250200000000, 0.0026027000000000, -0.0013887900000000 ] - [ -0.0009027500000000, 0.0000288500000000, 0.0004236100000000 ] - [ -0.0003673300000000, -0.0009932800000000, 0.0000250600000000 ] - [ -0.0010908200000000, -0.0006244900000000, 0.0002117600000000 ] - [ -0.0047572200000000, -0.0067812200000000, 0.0647317300000000 ] - [ 0.0014004300000000, 0.0003003000000000, 0.0018179800000000 ] - [ -0.0000432500000000, -0.0000058900000000, 0.0004790500000000 ] - [ -0.0000157000000000, 0.0000753100000000, 0.0004567000000000 ] - [ -0.0012269600000000, -0.0021653400000000, -0.0076587700000000 ] - [ 0.0001035600000000, 0.0001943900000000, -0.0003733600000000 ] - [ -0.0000829500000000, -0.0004609400000000, 0.0002813200000000 ] - [ 0.0000641000000000, -0.0002830600000000, 0.0003042400000000 ] - [ 0.0000747000000000, 0.0006886400000000, -0.0035630300000000 ] - [ 0.0000637500000000, -0.0003809000000000, -0.0016411200000000 ] - [ -0.0000515600000000, -0.0003398400000000, -0.0008731200000000 ] - [ -0.0001002000000000, -0.0004880100000000, -0.0007601500000000 ] - [ 0.0104723400000000, -0.0067124400000000, -0.0013699900000000 ] - [ -0.0016351500000000, -0.0012029600000000, 0.0007548700000000 ] - [ 0.0008883100000000, 0.0003307200000000, 0.0007540100000000 ] - [ 0.0007724800000000, -0.0000410400000000, 0.0007100400000000 ] - [ -0.0007863000000000, -0.0016559100000000, -0.0002410400000000 ] - [ 0.0013740600000000, -0.0007843000000000, -0.0015035500000000 ] - [ -0.0005745500000000, 0.0016910800000000, -0.0005386900000000 ] - [ -0.0005555200000000, 0.0003055500000000, -0.0000263400000000 ] - [ -0.0020464000000000, 0.0016730000000000, -0.0033627500000000 ] - [ 0.0006825900000000, -0.0003159500000000, -0.0003196800000000 ] - [ 0.0001825700000000, -0.0007599600000000, -0.0002477300000000 ] - [ 0.0002742800000000, -0.0007827800000000, 0.0000523700000000 ] - [ -0.0005708400000000, -0.0023647200000000, -0.0057719600000000 ] - [ -0.0012136200000000, -0.0002710500000000, -0.0015589200000000 ] - [ -0.0006807700000000, 0.0000720600000000, -0.0007177000000000 ] - [ -0.0008826700000000, -0.0000184900000000, -0.0006542300000000 ]- atom: 17 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ -0.0080527300000000, -0.0001243800000000, 0.0332921200000000 ] - [ 0.0016252400000000, 0.0020212400000000, 0.0088740600000000 ] - [ -0.0001035900000000, -0.0011191000000000, 0.0000914800000000 ] - [ 0.0004654500000000, -0.0009892900000000, 0.0005192600000000 ] - [ 0.0016543400000000, 0.0019334900000000, -0.0009977900000000 ] - [ -0.0012771000000000, 0.0022369200000000, -0.0001259800000000 ] - [ 0.0017399900000000, -0.0015229900000000, -0.0019708400000000 ] - [ -0.0024762900000000, -0.0016323200000000, -0.0034111000000000 ] - [ 0.0008945600000000, 0.0008494700000000, -0.0114149600000000 ] - [ 0.0015912300000000, 0.0006898600000000, -0.0100222900000000 ] - [ 0.0002903800000000, 0.0001019200000000, -0.0008468600000000 ] - [ 0.0003035300000000, 0.0001793200000000, -0.0008670400000000 ] - [ -0.0112757700000000, -0.0060986100000000, -0.0004383600000000 ] - [ 0.0197062300000000, -0.0251352100000000, 0.0006246000000000 ] - [ -0.0006003900000000, 0.0000199900000000, 0.0006695900000000 ] - [ 0.0001502800000000, 0.0000028500000000, 0.0007251000000000 ] - [ 0.0237152900000000, 0.0344008200000000, 0.2750767800000000 ] - [ 0.0001998900000000, 0.0006998600000000, -0.0005808200000000 ] - [ 0.0002063700000000, -0.0002266600000000, -0.0000987300000000 ] - [ 0.0001764300000000, -0.0000901400000000, -0.0000359800000000 ] - [ -0.0003692000000000, 0.0062489000000000, -0.0072929900000000 ] - [ -0.0001249200000000, 0.0005963800000000, -0.0002848600000000 ] - [ -0.0000258900000000, -0.0006712600000000, -0.0003704300000000 ] - [ -0.0000622800000000, -0.0005437300000000, -0.0000923900000000 ] - [ 0.0002909100000000, -0.0013002500000000, 0.0016874900000000 ] - [ 0.0003710300000000, -0.0010502600000000, 0.0007255600000000 ] - [ 0.0011973200000000, 0.0059674500000000, 0.0017094800000000 ] - [ -0.0007750200000000, 0.0007461700000000, 0.0007170100000000 ] - [ -0.0187354800000000, 0.0187086800000000, -0.0385556700000000 ] - [ 0.0017531900000000, 0.0021937600000000, 0.0004555200000000 ] - [ -0.0001074400000000, -0.0001556300000000, -0.0003065100000000 ] - [ -0.0001348300000000, -0.0002491700000000, -0.0003363800000000 ] - [ -0.0000441700000000, 0.0019938800000000, -0.0061759900000000 ] - [ -0.0000278400000000, 0.0004647500000000, -0.0011009500000000 ] - [ -0.0000472200000000, -0.0004355900000000, -0.0003297300000000 ] - [ 0.0000798100000000, -0.0004331500000000, -0.0003850800000000 ] - [ -0.0018011700000000, -0.0025205600000000, -0.0033875300000000 ] - [ 0.0006837500000000, -0.0004551400000000, -0.0013750000000000 ] - [ 0.0005405400000000, -0.0000017500000000, -0.0008368100000000 ] - [ 0.0001871900000000, -0.0001672500000000, -0.0003675400000000 ] - [ 0.0117927700000000, -0.0187375800000000, -0.0363386700000000 ] - [ -0.0018469700000000, 0.0011398900000000, 0.0001539800000000 ] - [ -0.0005171200000000, -0.0002054100000000, -0.0001033300000000 ] - [ -0.0002382100000000, -0.0003521200000000, -0.0000254100000000 ] - [ -0.0031450400000000, 0.0094293800000000, -0.0001983700000000 ] - [ 0.0004644900000000, -0.0004266100000000, 0.0015089500000000 ] - [ 0.0024327000000000, -0.0022174200000000, 0.0023742700000000 ] - [ -0.0001348400000000, -0.0002102300000000, 0.0006335400000000 ] - [ -0.0000298100000000, 0.0009569000000000, 0.0012443700000000 ] - [ -0.0005329200000000, 0.0006007500000000, 0.0008379200000000 ] - [ -0.0006433700000000, 0.0000596400000000, 0.0017356000000000 ] - [ -0.0004486400000000, -0.0000544800000000, 0.0005824800000000 ] - [ 0.0099804700000000, 0.0020691800000000, 0.0074815200000000 ] - [ -0.0030076800000000, -0.0000944100000000, 0.0030526200000000 ] - [ 0.0008510500000000, -0.0000104900000000, 0.0005950000000000 ] - [ 0.0008006700000000, 0.0000748600000000, 0.0006254600000000 ] - [ 0.0056575500000000, 0.0127911600000000, -0.0452464000000000 ] - [ 0.0011458100000000, 0.0007184400000000, -0.0007660800000000 ] - [ -0.0002549500000000, 0.0005621900000000, -0.0009292000000000 ] - [ 0.0001589000000000, 0.0001481600000000, -0.0003363400000000 ] - [ -0.0009887500000000, -0.0002783800000000, -0.0016431200000000 ] - [ -0.0003836000000000, 0.0011786800000000, -0.0014499200000000 ] - [ -0.0004415000000000, -0.0007003100000000, -0.0026789800000000 ] - [ 0.0006517100000000, 0.0009838900000000, -0.0007424500000000 ] - [ -0.0006891500000000, 0.0021384400000000, -0.0014444600000000 ] - [ -0.0012835700000000, 0.0001255400000000, -0.0010092600000000 ] - [ 0.0005069600000000, 0.0057513200000000, 0.0008660800000000 ] - [ -0.0011912300000000, -0.0000058400000000, -0.0015214900000000 ] - [ 0.0009140000000000, -0.0004891300000000, -0.0015904000000000 ] - [ -0.0002688200000000, 0.0006799700000000, 0.0000180300000000 ] - [ -0.0014776500000000, -0.0024229200000000, -0.0012312500000000 ] - [ 0.0009668800000000, -0.0004811200000000, 0.0002437700000000 ] - [ -0.0111687200000000, -0.0368800100000000, -0.0983037600000000 ] - [ 0.0017269700000000, -0.0009074000000000, -0.0019328600000000 ] - [ 0.0007091400000000, 0.0003151300000000, -0.0002536600000000 ] - [ 0.0005627700000000, 0.0002210200000000, -0.0002333000000000 ] - [ 0.0052274600000000, -0.0081710600000000, -0.0030291700000000 ] - [ 0.0004715300000000, -0.0022266000000000, -0.0026433500000000 ] - [ 0.0002419800000000, 0.0004016900000000, -0.0002307000000000 ] - [ 0.0001709500000000, 0.0004420500000000, -0.0000018200000000 ] - [ -0.0050305100000000, -0.0025715000000000, 0.0097358600000000 ] - [ 0.0004430300000000, -0.0004631900000000, 0.0009974200000000 ] - [ 0.0000232000000000, 0.0004873700000000, 0.0000852400000000 ] - [ -0.0000031000000000, 0.0004808800000000, 0.0000029500000000 ] - [ 0.0004488000000000, -0.0032205500000000, 0.0114519900000000 ] - [ 0.0003372100000000, -0.0008726700000000, 0.0009653800000000 ] - [ 0.0004977000000000, -0.0000348600000000, -0.0000428100000000 ] - [ 0.0004789400000000, 0.0000038300000000, 0.0000164100000000 ] - [ 0.0001758300000000, -0.0007831500000000, 0.0020868400000000 ] - [ 0.0001590200000000, -0.0011637200000000, 0.0009145400000000 ] - [ 0.0000064300000000, -0.0001027900000000, 0.0000182500000000 ] - [ -0.0000486900000000, -0.0000428800000000, -0.0000290000000000 ] - [ -0.0136626500000000, -0.0057231900000000, -0.0460239100000000 ] - [ -0.0019827700000000, -0.0013986900000000, -0.0043920500000000 ] - [ -0.0002278800000000, 0.0003327000000000, -0.0003064200000000 ] - [ -0.0001925200000000, 0.0003367800000000, -0.0003222700000000 ] - [ -0.0014368300000000, -0.0028892600000000, 0.0016235500000000 ] - [ -0.0002100800000000, -0.0002909500000000, -0.0001683900000000 ] - [ -0.0007452500000000, 0.0007361800000000, 0.0002382400000000 ] - [ -0.0000226300000000, 0.0003631500000000, 0.0000517600000000 ] - [ 0.0019546400000000, 0.0053184500000000, -0.0586134600000000 ] - [ -0.0014489400000000, 0.0001355500000000, -0.0010271200000000 ] - [ -0.0000394100000000, 0.0004568700000000, 0.0002755800000000 ] - [ -0.0000688900000000, 0.0003748800000000, 0.0002992600000000 ] - [ 0.0011568300000000, 0.0017115500000000, 0.0083404100000000 ] - [ -0.0001966000000000, -0.0006368300000000, 0.0011241300000000 ] - [ 0.0000001600000000, 0.0000098500000000, 0.0004679300000000 ] - [ -0.0001512500000000, -0.0001695800000000, 0.0004476700000000 ] - [ 0.0000072000000000, -0.0011627700000000, 0.0028192100000000 ] - [ 0.0000209400000000, -0.0000675900000000, 0.0008923900000000 ] - [ 0.0001373900000000, -0.0001083700000000, 0.0001180600000000 ] - [ 0.0001831600000000, 0.0000385200000000, 0.0000059400000000 ] - [ -0.0089611700000000, 0.0066907200000000, 0.0021117800000000 ] - [ 0.0031686100000000, 0.0011390300000000, -0.0000207700000000 ] - [ 0.0006540000000000, -0.0003978200000000, -0.0000190800000000 ] - [ 0.0007670300000000, -0.0000214500000000, 0.0000263100000000 ] - [ -0.0003339000000000, 0.0019000200000000, 0.0005212800000000 ] - [ -0.0024892300000000, 0.0010427900000000, 0.0017702400000000 ] - [ -0.0005404900000000, -0.0014255200000000, 0.0008027600000000 ] - [ -0.0005576700000000, -0.0000475400000000, 0.0002927200000000 ] - [ 0.0023473900000000, -0.0020664400000000, 0.0037819000000000 ] - [ -0.0004263600000000, -0.0000669300000000, 0.0007113600000000 ] - [ 0.0000904400000000, 0.0003884600000000, 0.0006429200000000 ] - [ -0.0000036400000000, 0.0004118800000000, 0.0003429600000000 ] - [ -0.0009445300000000, 0.0022983200000000, 0.0050277300000000 ] - [ -0.0003362900000000, 0.0001958300000000, 0.0008381700000000 ] - [ -0.0008606100000000, -0.0001327300000000, -0.0000253900000000 ] - [ -0.0006598200000000, -0.0000426800000000, -0.0000877500000000 ]- atom: 29 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ 0.0108904700000000, 0.0125380900000000, 0.0117343700000000 ] - [ 0.0124532700000000, -0.0052451100000000, -0.0178436900000000 ] - [ 0.0006862700000000, -0.0017970200000000, -0.0002733700000000 ] - [ -0.0000303900000000, 0.0001488400000000, -0.0011119100000000 ] - [ -0.0006779500000000, 0.0025855500000000, 0.0013631500000000 ] - [ 0.0006005600000000, -0.0009366400000000, 0.0004323000000000 ] - [ -0.0007207700000000, -0.0006579700000000, 0.0002696000000000 ] - [ 0.0025078400000000, 0.0046504800000000, -0.0017974100000000 ] - [ 0.0193170500000000, -0.0101041100000000, -0.0173951000000000 ] - [ 0.0136070100000000, 0.0011897100000000, 0.0338139500000000 ] - [ 0.0004685000000000, 0.0011764800000000, 0.0000117300000000 ] - [ 0.0002441300000000, 0.0007792000000000, 0.0002909300000000 ] - [ 0.0142575500000000, 0.0198391900000000, -0.0169804100000000 ] - [ 0.0151042900000000, -0.0198000200000000, 0.0010883100000000 ] - [ 0.0014200300000000, -0.0033404500000000, 0.0004862800000000 ] - [ -0.0001563700000000, 0.0009749100000000, 0.0004316400000000 ] - [ -0.0308680500000000, -0.0053686300000000, 0.0179546900000000 ] - [ 0.0064112300000000, -0.0000596000000000, -0.0021196200000000 ] - [ -0.0005338400000000, -0.0000184700000000, -0.0003221900000000 ] - [ 0.0006240600000000, 0.0000374700000000, -0.0002806300000000 ] - [ -0.0042576300000000, -0.0013264000000000, 0.0021772700000000 ] - [ 0.0041423500000000, -0.0015358000000000, -0.0002136200000000 ] - [ -0.0011220400000000, -0.0000007700000000, -0.0001286200000000 ] - [ 0.0005394800000000, 0.0002045000000000, 0.0002450400000000 ] - [ -0.0029454500000000, 0.0011871400000000, -0.0020535000000000 ] - [ 0.0026243900000000, -0.0008395800000000, 0.0005877100000000 ] - [ -0.0164030300000000, -0.0121997700000000, 0.0033843400000000 ] - [ 0.0035693700000000, 0.0018017200000000, -0.0000015000000000 ] - [ -0.3001018200000000, -0.0230865700000000, 0.0156093800000000 ] - [ 0.0105792200000000, 0.0016713100000000, 0.0002929900000000 ] - [ -0.0010044300000000, 0.0001617400000000, -0.0000857200000000 ] - [ 0.0003703000000000, 0.0001381400000000, -0.0000444500000000 ] - [ -0.0197259200000000, 0.0172596900000000, -0.0124615900000000 ] - [ 0.0048724800000000, -0.0024291800000000, 0.0014915300000000 ] - [ -0.0006719200000000, -0.0003359100000000, 0.0000850300000000 ] - [ 0.0008086000000000, 0.0002566700000000, -0.0001750800000000 ] - [ -0.0101761400000000, -0.0016986400000000, 0.0000086200000000 ] - [ 0.0057139800000000, 0.0025360200000000, 0.0008984900000000 ] - [ -0.0038804800000000, 0.0024131200000000, 0.0039491500000000 ] - [ 0.0016088400000000, -0.0001758100000000, 0.0003066600000000 ] - [ -0.0085586600000000, -0.0008816700000000, -0.0005437600000000 ] - [ 0.0040592300000000, 0.0000296200000000, -0.0000714700000000 ] - [ -0.0008179700000000, 0.0000300600000000, -0.0003204300000000 ] - [ 0.0003686500000000, -0.0000972100000000, -0.0001725100000000 ] - [ -0.0040111600000000, -0.0039669800000000, 0.0014162400000000 ] - [ 0.0023876400000000, 0.0015959000000000, 0.0000896300000000 ] - [ -0.0040035700000000, 0.0004835500000000, -0.0025984600000000 ] - [ 0.0023839700000000, -0.0000770600000000, 0.0004432200000000 ] - [ 0.0016487700000000, 0.0014640100000000, 0.0003360800000000 ] - [ -0.0012818000000000, -0.0007591600000000, -0.0001442500000000 ] - [ 0.0010346200000000, -0.0080965300000000, 0.0018359100000000 ] - [ -0.0011765500000000, 0.0005888500000000, -0.0001549800000000 ] - [ 0.0860176700000000, 0.0460418700000000, 0.0153812800000000 ] - [ -0.0074751400000000, -0.0003519700000000, 0.0000665000000000 ] - [ 0.0009203200000000, 0.0005430900000000, -0.0000180500000000 ] - [ 0.0004914500000000, -0.0001704800000000, 0.0003009800000000 ] - [ 0.0045656100000000, 0.0103161400000000, -0.0079314200000000 ] - [ -0.0039528700000000, 0.0002109000000000, 0.0026615300000000 ] - [ 0.0010660900000000, -0.0003412000000000, -0.0000100800000000 ] - [ -0.0009879600000000, -0.0000823500000000, 0.0003958800000000 ] - [ 0.0024440500000000, 0.0002881100000000, 0.0009366500000000 ] - [ -0.0018634000000000, 0.0010208500000000, -0.0011217700000000 ] - [ 0.0002894500000000, 0.0080961500000000, 0.0047325400000000 ] - [ -0.0016415100000000, -0.0011110900000000, -0.0001237200000000 ] - [ -0.0009757700000000, 0.0016109400000000, -0.0009206800000000 ] - [ -0.0011869100000000, -0.0002156900000000, -0.0004687800000000 ] - [ 0.0010531100000000, -0.0021176600000000, 0.0002630000000000 ] - [ -0.0020139700000000, 0.0013894100000000, 0.0006484800000000 ] - [ 0.0020911900000000, 0.0020998000000000, 0.0003505000000000 ] - [ -0.0021381700000000, -0.0026838200000000, 0.0003846000000000 ] - [ 0.0068965400000000, -0.0020244400000000, -0.0002464900000000 ] - [ -0.0030273500000000, 0.0014069600000000, -0.0000377500000000 ] - [ 0.0062170000000000, -0.0020827400000000, -0.0094208100000000 ] - [ -0.0024481100000000, -0.0006417900000000, 0.0015175200000000 ] - [ 0.0009068200000000, 0.0002906400000000, -0.0000922700000000 ] - [ 0.0002422200000000, 0.0000739200000000, 0.0000346500000000 ] - [ 0.0618525600000000, -0.0266205400000000, -0.0179935600000000 ] - [ -0.0041897200000000, -0.0013457400000000, 0.0004817600000000 ] - [ 0.0006400400000000, -0.0007494000000000, 0.0002814200000000 ] - [ -0.0007134100000000, -0.0000192900000000, 0.0001084500000000 ] - [ 0.0045967500000000, 0.0015161600000000, -0.0019093000000000 ] - [ -0.0031849300000000, 0.0006242200000000, 0.0019984400000000 ] - [ 0.0004212800000000, 0.0000094600000000, -0.0000294500000000 ] - [ -0.0001653900000000, -0.0000391600000000, 0.0000695300000000 ] - [ 0.0727232000000000, 0.0083674100000000, -0.0321935600000000 ] - [ -0.0061103200000000, 0.0018516300000000, -0.0003939900000000 ] - [ 0.0009244800000000, -0.0001184100000000, -0.0003202400000000 ] - [ 0.0003080800000000, -0.0002290000000000, -0.0001557200000000 ] - [ 0.0097059400000000, 0.0011078600000000, -0.0013858600000000 ] - [ -0.0048835500000000, -0.0014084300000000, -0.0000066800000000 ] - [ 0.0003107000000000, -0.0005252300000000, -0.0001545600000000 ] - [ -0.0006018800000000, -0.0000812200000000, -0.0003364900000000 ] - [ 0.0112438000000000, -0.0010242400000000, 0.0054477200000000 ] - [ -0.0074607000000000, 0.0004948200000000, -0.0019789700000000 ] - [ 0.0002200000000000, 0.0004543400000000, 0.0000015300000000 ] - [ -0.0004486900000000, 0.0001933400000000, -0.0002575200000000 ] - [ 0.0014723900000000, 0.0003922700000000, -0.0016274300000000 ] - [ -0.0021408700000000, -0.0002203200000000, 0.0004365100000000 ] - [ 0.0003335700000000, 0.0000210300000000, 0.0010197700000000 ] - [ -0.0017372100000000, -0.0006565500000000, 0.0005996400000000 ] - [ 0.0625709300000000, -0.0094110500000000, 0.0124066600000000 ] - [ -0.0068571800000000, 0.0004307900000000, 0.0024109700000000 ] - [ 0.0003344200000000, 0.0001579700000000, 0.0003930900000000 ] - [ -0.0004348200000000, 0.0003314200000000, 0.0003668400000000 ] - [ 0.0009416300000000, -0.0038952900000000, 0.0100483400000000 ] - [ -0.0030523900000000, 0.0019279900000000, -0.0010377400000000 ] - [ 0.0002199300000000, -0.0000094600000000, 0.0003630600000000 ] - [ -0.0003268100000000, -0.0004927900000000, 0.0002999800000000 ] - [ 0.0034409100000000, -0.0040795500000000, -0.0045951000000000 ] - [ -0.0029654500000000, 0.0013922700000000, -0.0003778800000000 ] - [ 0.0011844500000000, -0.0007298200000000, -0.0006328400000000 ] - [ -0.0006406900000000, -0.0005628000000000, -0.0006316800000000 ] - [ 0.0039195800000000, -0.0010495300000000, 0.0021429300000000 ] - [ -0.0020622900000000, 0.0004745200000000, -0.0014267000000000 ] - [ 0.0011835900000000, -0.0002363000000000, 0.0005224600000000 ] - [ 0.0003808500000000, 0.0002145500000000, 0.0002632900000000 ] - [ 0.0041371900000000, -0.0048269100000000, 0.0001295000000000 ] - [ -0.0045951500000000, 0.0013417900000000, 0.0020920500000000 ] - [ 0.0009801000000000, 0.0054256900000000, -0.0030552700000000 ] - [ -0.0014872600000000, -0.0002074700000000, 0.0002054700000000 ] - [ 0.0022177500000000, 0.0019069500000000, 0.0014362500000000 ] - [ -0.0030022400000000, -0.0037011400000000, -0.0023556400000000 ] - [ 0.0005385600000000, -0.0012844600000000, 0.0002992400000000 ] - [ -0.0002218700000000, -0.0000932000000000, 0.0001356100000000 ] - [ 0.0029003900000000, 0.0071414700000000, 0.0022529500000000 ] - [ -0.0084445400000000, -0.0040858100000000, -0.0024359200000000 ] - [ -0.0002729600000000, -0.0005772700000000, -0.0010122500000000 ] - [ -0.0013713400000000, 0.0000299500000000, -0.0009314100000000 ]- atom: 29 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ -0.0103042400000000, -0.0136923400000000, -0.0123773300000000 ] - [ -0.0119133700000000, 0.0039525500000000, 0.0172270800000000 ] - [ -0.0001032400000000, 0.0006010800000000, -0.0002848700000000 ] - [ 0.0006130200000000, -0.0013415000000000, 0.0005508300000000 ] - [ 0.0001006400000000, -0.0013899000000000, -0.0008041300000000 ] - [ -0.0011881800000000, 0.0021241000000000, 0.0001260600000000 ] - [ 0.0001393100000000, 0.0018423700000000, 0.0003127700000000 ] - [ -0.0030861900000000, -0.0034490500000000, 0.0023652900000000 ] - [ -0.0187283300000000, 0.0112757000000000, 0.0169682200000000 ] - [ -0.0129769500000000, 0.0001441000000000, -0.0342640500000000 ] - [ 0.0001142700000000, 0.0000142200000000, -0.0005671300000000 ] - [ 0.0003391500000000, 0.0004125800000000, -0.0008477700000000 ] - [ -0.0147855900000000, -0.0208903000000000, 0.0175557400000000 ] - [ -0.0156832600000000, 0.0186167400000000, -0.0006330600000000 ] - [ -0.0020111600000000, 0.0021505300000000, 0.0000629100000000 ] - [ -0.0004285600000000, -0.0021809000000000, 0.0001217200000000 ] - [ 0.0310756600000000, 0.0055808800000000, -0.0182598200000000 ] - [ -0.0061646300000000, 0.0003249200000000, 0.0017370800000000 ] - [ 0.0007532600000000, 0.0002745000000000, -0.0000245900000000 ] - [ -0.0004038200000000, 0.0002168800000000, -0.0000654500000000 ] - [ 0.0040257300000000, 0.0010642100000000, -0.0018249900000000 ] - [ -0.0043541800000000, 0.0012793900000000, 0.0005556400000000 ] - [ 0.0009016600000000, -0.0002518200000000, 0.0004779100000000 ] - [ -0.0007589800000000, -0.0004600900000000, 0.0001031800000000 ] - [ 0.0027166400000000, -0.0009275600000000, 0.0023854800000000 ] - [ -0.0028388500000000, 0.0010879300000000, -0.0002393300000000 ] - [ 0.0162758000000000, 0.0125036800000000, -0.0030159700000000 ] - [ -0.0037945200000000, -0.0015637100000000, 0.0003419500000000 ] - [ 0.2986395100000000, 0.0190692500000000, -0.0170748000000000 ] - [ -0.0110677900000000, -0.0014703000000000, -0.0006513200000000 ] - [ 0.0005055600000000, 0.0000423900000000, -0.0002668800000000 ] - [ -0.0008688100000000, 0.0000640400000000, -0.0003095100000000 ] - [ 0.0198784700000000, -0.0175012900000000, 0.0120797200000000 ] - [ -0.0046419000000000, 0.0021595600000000, -0.0018139400000000 ] - [ 0.0008923300000000, 0.0000837800000000, -0.0004301700000000 ] - [ -0.0005887600000000, -0.0005163900000000, -0.0001708000000000 ] - [ 0.0106681700000000, 0.0014960000000000, 0.0003473000000000 ] - [ -0.0052164200000000, -0.0027457600000000, -0.0005476500000000 ] - [ 0.0043843800000000, -0.0026189500000000, -0.0036010600000000 ] - [ -0.0011094100000000, -0.0000339200000000, 0.0000463900000000 ] - [ 0.0080505800000000, 0.0006627600000000, 0.0001906900000000 ] - [ -0.0045545600000000, -0.0002272600000000, -0.0002742800000000 ] - [ 0.0003191500000000, -0.0002336500000000, -0.0000304800000000 ] - [ -0.0008664300000000, -0.0001069500000000, -0.0001794200000000 ] - [ 0.0045129000000000, 0.0041756500000000, -0.0010594900000000 ] - [ -0.0018849500000000, -0.0013933200000000, 0.0002633100000000 ] - [ 0.0045163600000000, -0.0002748300000000, 0.0029570400000000 ] - [ -0.0018882000000000, 0.0002807200000000, -0.0000935200000000 ] - [ -0.0018285600000000, -0.0011709100000000, -0.0003279500000000 ] - [ 0.0010933000000000, 0.0010611700000000, 0.0001596900000000 ] - [ -0.0012114700000000, 0.0084100600000000, -0.0018374100000000 ] - [ 0.0009933000000000, -0.0002844700000000, 0.0001639400000000 ] - [ -0.0799122300000000, -0.0415740800000000, -0.0127168600000000 ] - [ 0.0090382900000000, 0.0003835800000000, 0.0006655400000000 ] - [ 0.0006210400000000, -0.0004829200000000, 0.0007616000000000 ] - [ 0.0010518100000000, 0.0002335300000000, 0.0004404200000000 ] - [ -0.0047261700000000, -0.0106246300000000, 0.0079569600000000 ] - [ 0.0037701200000000, -0.0005144600000000, -0.0026446200000000 ] - [ -0.0012535000000000, 0.0000399300000000, 0.0000273100000000 ] - [ 0.0008071900000000, -0.0002157100000000, -0.0003830300000000 ] - [ -0.0023579600000000, 0.0001636600000000, -0.0016878900000000 ] - [ 0.0019426200000000, -0.0005689600000000, 0.0003643900000000 ] - [ -0.0002319300000000, -0.0077018000000000, -0.0055361100000000 ] - [ 0.0017235400000000, 0.0015600500000000, -0.0006239100000000 ] - [ -0.0005658300000000, -0.0015510200000000, 0.0001786100000000 ] - [ -0.0003563600000000, 0.0002766600000000, -0.0002746500000000 ] - [ -0.0025983700000000, 0.0021754400000000, -0.0010058300000000 ] - [ 0.0004732200000000, -0.0013338100000000, -0.0013962400000000 ] - [ -0.0018112600000000, -0.0017243400000000, 0.0000463100000000 ] - [ 0.0024051200000000, 0.0030501200000000, 0.0000127100000000 ] - [ -0.0066276400000000, 0.0024204000000000, 0.0006569900000000 ] - [ 0.0033150900000000, -0.0010285000000000, 0.0004423500000000 ] - [ -0.0050873400000000, 0.0023523800000000, 0.0091755000000000 ] - [ 0.0035683800000000, 0.0009108200000000, -0.0017819300000000 ] - [ 0.0002100100000000, -0.0000301100000000, -0.0001719000000000 ] - [ 0.0008727100000000, 0.0001854500000000, -0.0002987400000000 ] - [ -0.0612008900000000, 0.0252310800000000, 0.0171810400000000 ] - [ 0.0043782400000000, 0.0010626500000000, -0.0004771400000000 ] - [ -0.0004563400000000, 0.0004476400000000, -0.0002910200000000 ] - [ 0.0008937400000000, -0.0002762200000000, -0.0001205100000000 ] - [ -0.0044098900000000, -0.0012138400000000, 0.0018964200000000 ] - [ 0.0033637700000000, -0.0003289100000000, -0.0020085900000000 ] - [ -0.0002418800000000, 0.0002890900000000, 0.0000155000000000 ] - [ 0.0003484500000000, 0.0003378500000000, -0.0000819500000000 ] - [ -0.0731118000000000, -0.0092481000000000, 0.0345529300000000 ] - [ 0.0072039300000000, -0.0021057000000000, 0.0001011100000000 ] - [ 0.0001903900000000, -0.0001415700000000, 0.0000540200000000 ] - [ 0.0008059000000000, -0.0000308400000000, -0.0001100200000000 ] - [ -0.0099837200000000, -0.0014559600000000, 0.0009558800000000 ] - [ 0.0045929800000000, 0.0010347400000000, -0.0003991000000000 ] - [ -0.0005854000000000, 0.0001522000000000, -0.0002427300000000 ] - [ 0.0003313100000000, -0.0002900300000000, -0.0000607500000000 ] - [ -0.0115042400000000, 0.0013929200000000, -0.0058126200000000 ] - [ 0.0071040300000000, -0.0001201600000000, 0.0015675000000000 ] - [ -0.0004938300000000, -0.0000844800000000, -0.0003964900000000 ] - [ 0.0001767500000000, 0.0001789600000000, -0.0001376500000000 ] - [ -0.0025862000000000, -0.0006533100000000, 0.0018892500000000 ] - [ 0.0010258000000000, -0.0000385200000000, -0.0001703400000000 ] - [ -0.0014489000000000, -0.0002834700000000, -0.0007646900000000 ] - [ 0.0006218700000000, 0.0003951500000000, -0.0003345600000000 ] - [ -0.0653561500000000, 0.0112593400000000, -0.0143778400000000 ] - [ 0.0067420900000000, 0.0000034100000000, -0.0016202400000000 ] - [ -0.0004166700000000, 0.0002912700000000, 0.0003618300000000 ] - [ 0.0003511600000000, 0.0001172900000000, 0.0003886100000000 ] - [ -0.0009933900000000, 0.0034367100000000, -0.0092221700000000 ] - [ 0.0029730600000000, -0.0023831600000000, 0.0017855500000000 ] - [ -0.0003019200000000, -0.0004413700000000, 0.0003897300000000 ] - [ 0.0002424900000000, 0.0000439500000000, 0.0004541000000000 ] - [ -0.0033561100000000, 0.0036094600000000, 0.0038173100000000 ] - [ 0.0030415500000000, -0.0018292800000000, -0.0003738500000000 ] - [ -0.0011009700000000, 0.0002822100000000, -0.0001234100000000 ] - [ 0.0007223800000000, 0.0001142600000000, -0.0001242800000000 ] - [ -0.0023719400000000, 0.0009843800000000, -0.0014112700000000 ] - [ 0.0036044600000000, -0.0005373900000000, 0.0021663500000000 ] - [ 0.0003581200000000, 0.0001750100000000, 0.0002210000000000 ] - [ 0.0011606800000000, -0.0002753400000000, 0.0004793400000000 ] - [ -0.0052440700000000, 0.0050511700000000, 0.0001416100000000 ] - [ 0.0034715800000000, -0.0010773800000000, -0.0018249500000000 ] - [ -0.0021003200000000, -0.0051647000000000, 0.0033281500000000 ] - [ 0.0003745300000000, 0.0004720100000000, 0.0000598500000000 ] - [ -0.0019396000000000, -0.0022727200000000, -0.0010392500000000 ] - [ 0.0032684500000000, 0.0033189600000000, 0.0027514000000000 ] - [ -0.0002666200000000, 0.0009129800000000, 0.0000953900000000 ] - [ 0.0004941500000000, -0.0002780500000000, 0.0002607400000000 ] - [ -0.0044447600000000, -0.0072122500000000, -0.0029982200000000 ] - [ 0.0069834900000000, 0.0040706200000000, 0.0017217900000000 ] - [ -0.0012699200000000, 0.0005178800000000, 0.0002678900000000 ] - [ -0.0001681900000000, -0.0000887300000000, 0.0001896100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0038223000000000, -0.0170130100000000, 0.0023319200000000 ] - [ -0.0217407500000000, -0.0137179500000000, 0.0227793700000000 ] - [ 0.0000178100000000, 0.0042125200000000, -0.0008265100000000 ] - [ 0.0003437400000000, 0.0048337700000000, -0.0011177100000000 ] - [ 0.0003532200000000, 0.0050142700000000, 0.0013387700000000 ] - [ -0.0011626900000000, 0.0029752600000000, 0.0007032800000000 ] - [ -0.0026637800000000, 0.0004713600000000, 0.0016401100000000 ] - [ 0.0022997400000000, -0.0002633200000000, -0.0003609700000000 ] - [ 0.0030702200000000, -0.0133649900000000, 0.0028778200000000 ] - [ 0.0098686500000000, -0.0084194100000000, 0.0247052700000000 ] - [ 0.0007933900000000, 0.0047945000000000, -0.0011019700000000 ] - [ -0.0000053200000000, 0.0050949700000000, -0.0011456100000000 ] - [ 0.0166394500000000, 0.0161180900000000, -0.0149952500000000 ] - [ -0.0122240700000000, 0.0076611800000000, -0.0047886900000000 ] - [ -0.0043305300000000, 0.0078471200000000, 0.0006054000000000 ] - [ 0.0030298100000000, 0.0060510400000000, 0.0003497000000000 ] - [ 0.0035055000000000, 0.0014740600000000, -0.0188786200000000 ] - [ -0.0012605400000000, -0.0033024300000000, -0.0022815700000000 ] - [ 0.0001098200000000, 0.0032468200000000, 0.0000817400000000 ] - [ 0.0001095600000000, 0.0024051600000000, 0.0001763000000000 ] - [ -0.0020540000000000, -0.0015596100000000, 0.0025907400000000 ] - [ 0.0026305100000000, -0.0020089900000000, 0.0005578700000000 ] - [ 0.0003592100000000, 0.0021586700000000, 0.0000808200000000 ] - [ -0.0003596000000000, 0.0012668500000000, 0.0002354300000000 ] - [ -0.0010754400000000, 0.0047205200000000, -0.0021735100000000 ] - [ 0.0009824500000000, 0.0022260300000000, -0.0001261400000000 ] - [ 0.0074516000000000, 0.0418460000000000, 0.0094216800000000 ] - [ -0.0037954200000000, -0.0022447200000000, -0.0003946800000000 ] - [ -0.0247088300000000, -0.2989994700000000, -0.0017656700000000 ] - [ 0.0013321000000000, -0.0033156900000000, -0.0018569100000000 ] - [ -0.0001906100000000, 0.0033100100000000, 0.0002949500000000 ] - [ -0.0002125100000000, 0.0025918800000000, 0.0001081000000000 ] - [ 0.0042275200000000, 0.0062574200000000, -0.0184705300000000 ] - [ 0.0012215500000000, -0.0040475000000000, 0.0010898700000000 ] - [ 0.0001570500000000, 0.0028523400000000, -0.0002749600000000 ] - [ 0.0003558000000000, 0.0021518900000000, -0.0004204700000000 ] - [ -0.0013427500000000, 0.0070378000000000, 0.0044149900000000 ] - [ 0.0028844900000000, 0.0023349700000000, 0.0022274400000000 ] - [ 0.0027614000000000, 0.0033252900000000, -0.0043408500000000 ] - [ 0.0001799800000000, -0.0000075100000000, -0.0010191400000000 ] - [ 0.0005112600000000, -0.0069958000000000, -0.0009490200000000 ] - [ -0.0003779400000000, -0.0011503600000000, 0.0016630700000000 ] - [ -0.0003803100000000, 0.0021491400000000, -0.0002559500000000 ] - [ -0.0002539800000000, 0.0017835400000000, -0.0002524200000000 ] - [ -0.0001321400000000, 0.0020808900000000, -0.0013398300000000 ] - [ 0.0004289700000000, 0.0011973600000000, -0.0005168100000000 ] - [ 0.0043289200000000, 0.0020871600000000, 0.0049131200000000 ] - [ -0.0012469700000000, 0.0012046800000000, 0.0003332000000000 ] - [ 0.0005552200000000, -0.0031366900000000, -0.0016996600000000 ] - [ -0.0007651400000000, -0.0020222300000000, -0.0007770900000000 ] - [ -0.0013991600000000, 0.0007600200000000, 0.0025100000000000 ] - [ 0.0005979200000000, 0.0016348600000000, 0.0003464400000000 ] - [ 0.0433253200000000, 0.0811476700000000, 0.0083082000000000 ] - [ 0.0014800900000000, 0.0025860200000000, -0.0018920300000000 ] - [ 0.0002305100000000, -0.0026391000000000, 0.0010608700000000 ] - [ -0.0001431300000000, -0.0018037200000000, 0.0009072800000000 ] - [ 0.0000523900000000, -0.0007330100000000, 0.0017226400000000 ] - [ -0.0017553600000000, 0.0008440400000000, 0.0017938000000000 ] - [ -0.0008063900000000, -0.0029861700000000, -0.0003946200000000 ] - [ 0.0009048700000000, -0.0018119500000000, -0.0004163100000000 ] - [ 0.0002257400000000, -0.0018267500000000, 0.0006710200000000 ] - [ 0.0000274600000000, -0.0010892100000000, 0.0000935300000000 ] - [ 0.0008544100000000, -0.0097725200000000, -0.0072329800000000 ] - [ 0.0007866700000000, 0.0011551400000000, -0.0013531800000000 ] - [ 0.0000989900000000, -0.0014085300000000, 0.0000672200000000 ] - [ -0.0005994900000000, -0.0009814400000000, -0.0004454700000000 ] - [ -0.0028958900000000, 0.0013819100000000, -0.0017017300000000 ] - [ 0.0009048600000000, -0.0019533800000000, -0.0026263000000000 ] - [ 0.0010798700000000, -0.0022078800000000, 0.0013816600000000 ] - [ -0.0011032400000000, -0.0032938600000000, 0.0009320600000000 ] - [ -0.0118083100000000, -0.0064495400000000, -0.0036112800000000 ] - [ 0.0061810000000000, -0.0022637800000000, 0.0007200800000000 ] - [ -0.0011797900000000, 0.0055634100000000, 0.0060971100000000 ] - [ 0.0041161200000000, 0.0049827700000000, -0.0007245300000000 ] - [ 0.0001250500000000, -0.0016950300000000, -0.0006250000000000 ] - [ 0.0000710300000000, -0.0014651900000000, -0.0004979700000000 ] - [ -0.0166480400000000, 0.0870981400000000, 0.0085892300000000 ] - [ -0.0000863900000000, 0.0034136700000000, 0.0005149500000000 ] - [ 0.0000217800000000, -0.0035839200000000, -0.0001072200000000 ] - [ -0.0001114700000000, -0.0025212700000000, -0.0003825600000000 ] - [ 0.0024119500000000, 0.0036085500000000, -0.0020648600000000 ] - [ -0.0006465900000000, 0.0016854000000000, 0.0001684700000000 ] - [ -0.0000026300000000, -0.0019312400000000, 0.0004118600000000 ] - [ -0.0000452000000000, -0.0014236200000000, 0.0003615600000000 ] - [ 0.0015894100000000, 0.0521774200000000, -0.0136534000000000 ] - [ -0.0028984200000000, 0.0044505700000000, -0.0004869100000000 ] - [ 0.0009227600000000, -0.0020315500000000, 0.0002756900000000 ] - [ 0.0008627900000000, -0.0017791600000000, 0.0002025400000000 ] - [ 0.0046785400000000, 0.0035127500000000, 0.0028636900000000 ] - [ -0.0020843400000000, 0.0017117100000000, -0.0006614600000000 ] - [ -0.0003268400000000, -0.0025787600000000, 0.0001617800000000 ] - [ -0.0002450400000000, -0.0020634400000000, 0.0001490700000000 ] - [ -0.0040406400000000, 0.0100851800000000, 0.0053075700000000 ] - [ 0.0036764100000000, 0.0023600900000000, 0.0022364300000000 ] - [ -0.0000718000000000, -0.0027309500000000, -0.0009141700000000 ] - [ -0.0003724800000000, -0.0021109100000000, -0.0010251800000000 ] - [ -0.0003545200000000, -0.0005883000000000, -0.0003384400000000 ] - [ -0.0012698800000000, -0.0004137200000000, 0.0003174900000000 ] - [ -0.0008941200000000, -0.0011551500000000, -0.0016961100000000 ] - [ -0.0002373300000000, -0.0006840600000000, -0.0003886100000000 ] - [ -0.0096814100000000, 0.0486591400000000, -0.0091129900000000 ] - [ -0.0018220600000000, 0.0043586000000000, 0.0031466400000000 ] - [ 0.0001578200000000, -0.0018485600000000, 0.0004947300000000 ] - [ 0.0003171800000000, -0.0018091800000000, 0.0004167800000000 ] - [ -0.0009382600000000, 0.0002444500000000, 0.0051011400000000 ] - [ -0.0008519600000000, 0.0032875500000000, -0.0009019600000000 ] - [ -0.0000311400000000, -0.0019417900000000, 0.0001411900000000 ] - [ -0.0002168700000000, -0.0018431900000000, 0.0003167700000000 ] - [ 0.0004169400000000, -0.0033237300000000, -0.0046053300000000 ] - [ -0.0013694700000000, 0.0012304400000000, -0.0017312000000000 ] - [ 0.0003559800000000, -0.0017862700000000, 0.0009412400000000 ] - [ 0.0000510300000000, -0.0008842000000000, -0.0000338300000000 ] - [ -0.0013235200000000, 0.0024354200000000, -0.0023773800000000 ] - [ 0.0006321800000000, 0.0010498800000000, 0.0010379900000000 ] - [ 0.0014383400000000, -0.0015815800000000, 0.0003951100000000 ] - [ 0.0013080400000000, -0.0012613900000000, 0.0004477300000000 ] - [ 0.0006819300000000, -0.0051946300000000, 0.0005397300000000 ] - [ -0.0004439300000000, -0.0010958100000000, 0.0003825900000000 ] - [ 0.0000232900000000, -0.0091010600000000, 0.0035232500000000 ] - [ -0.0004763400000000, -0.0001012500000000, 0.0008431200000000 ] - [ 0.0016657700000000, 0.0008628600000000, -0.0000609400000000 ] - [ -0.0021444600000000, -0.0030266800000000, -0.0018983500000000 ] - [ -0.0003711300000000, -0.0013805800000000, 0.0000565700000000 ] - [ 0.0004058800000000, -0.0013322400000000, -0.0000938400000000 ] - [ 0.0043006500000000, -0.0006184400000000, -0.0042550100000000 ] - [ -0.0065570300000000, -0.0038039500000000, -0.0026526900000000 ] - [ -0.0024506100000000, -0.0024637100000000, 0.0006744400000000 ] - [ -0.0003242300000000, -0.0011251600000000, 0.0009421900000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032330300000000, 0.0159199800000000, -0.0029051300000000 ] - [ 0.0223178500000000, 0.0124980000000000, -0.0233626300000000 ] - [ 0.0005624300000000, -0.0054084300000000, 0.0002637400000000 ] - [ 0.0002438900000000, -0.0060298700000000, 0.0005553900000000 ] - [ -0.0009220800000000, -0.0038234700000000, -0.0007717600000000 ] - [ 0.0005670800000000, -0.0017889600000000, -0.0001313600000000 ] - [ 0.0020799900000000, 0.0007318800000000, -0.0010676900000000 ] - [ -0.0028809000000000, 0.0014889400000000, 0.0009227400000000 ] - [ -0.0024634400000000, 0.0144068200000000, -0.0034308500000000 ] - [ -0.0092796100000000, 0.0096231600000000, -0.0252747700000000 ] - [ -0.0002149900000000, -0.0036001000000000, 0.0005521100000000 ] - [ 0.0005931100000000, -0.0038992900000000, 0.0005947400000000 ] - [ -0.0170724000000000, -0.0172492500000000, 0.0155210000000000 ] - [ 0.0115567900000000, -0.0089137300000000, 0.0051993900000000 ] - [ 0.0037622500000000, -0.0090430200000000, -0.0000705900000000 ] - [ -0.0036330200000000, -0.0072731300000000, 0.0002039100000000 ] - [ -0.0034058100000000, -0.0013192400000000, 0.0185549700000000 ] - [ 0.0014968400000000, 0.0035581500000000, 0.0019225600000000 ] - [ 0.0001093600000000, -0.0029908900000000, -0.0004303800000000 ] - [ 0.0001089000000000, -0.0021492800000000, -0.0005236300000000 ] - [ 0.0018249000000000, 0.0012807900000000, -0.0022217900000000 ] - [ -0.0028473500000000, 0.0017451000000000, -0.0002126100000000 ] - [ -0.0005803300000000, -0.0024073600000000, 0.0002718700000000 ] - [ 0.0001397500000000, -0.0015181800000000, 0.0001129200000000 ] - [ 0.0008439100000000, -0.0044440700000000, 0.0024860600000000 ] - [ -0.0012013000000000, -0.0019776800000000, 0.0004743500000000 ] - [ -0.0074497200000000, -0.0420840100000000, -0.0093833100000000 ] - [ 0.0035770200000000, 0.0025100100000000, 0.0007400800000000 ] - [ 0.0173686400000000, 0.3024918000000000, 0.0045894700000000 ] - [ -0.0018111100000000, 0.0035268400000000, 0.0015049000000000 ] - [ -0.0003095700000000, -0.0031054500000000, -0.0006477200000000 ] - [ -0.0002865300000000, -0.0023906100000000, -0.0004622000000000 ] - [ -0.0041014200000000, -0.0063698600000000, 0.0182501200000000 ] - [ -0.0009895700000000, 0.0037921100000000, -0.0014234500000000 ] - [ 0.0000663100000000, -0.0030952900000000, -0.0000685600000000 ] - [ -0.0001377600000000, -0.0024128300000000, 0.0000749700000000 ] - [ 0.0018570600000000, -0.0071526000000000, -0.0040038400000000 ] - [ -0.0023945400000000, -0.0025531000000000, -0.0018803900000000 ] - [ -0.0022762500000000, -0.0035452600000000, 0.0047281700000000 ] - [ 0.0003205800000000, -0.0001918700000000, 0.0013771000000000 ] - [ -0.0010342600000000, 0.0067797400000000, 0.0005918300000000 ] - [ -0.0001191600000000, 0.0009480100000000, -0.0020134800000000 ] - [ -0.0001165500000000, -0.0023518700000000, -0.0000941900000000 ] - [ -0.0002441300000000, -0.0019863400000000, -0.0001000400000000 ] - [ 0.0006245600000000, -0.0018864600000000, 0.0016966600000000 ] - [ 0.0000705400000000, -0.0010024500000000, 0.0008699100000000 ] - [ -0.0038087200000000, -0.0018802900000000, -0.0045644300000000 ] - [ 0.0017428000000000, -0.0009952600000000, 0.0000127000000000 ] - [ -0.0007362800000000, 0.0034109500000000, 0.0016938000000000 ] - [ 0.0005773700000000, 0.0023271100000000, 0.0007927500000000 ] - [ 0.0012270900000000, -0.0004856100000000, -0.0025276200000000 ] - [ -0.0007805600000000, -0.0013419100000000, -0.0003394500000000 ] - [ -0.0380977200000000, -0.0785425000000000, -0.0063037100000000 ] - [ 0.0000549200000000, -0.0025154600000000, 0.0026344300000000 ] - [ 0.0013079100000000, 0.0027027400000000, -0.0003201300000000 ] - [ 0.0016883100000000, 0.0018677500000000, -0.0001677900000000 ] - [ -0.0002125200000000, 0.0004964400000000, -0.0017279900000000 ] - [ 0.0015731800000000, -0.0011388900000000, -0.0017800100000000 ] - [ 0.0006159200000000, 0.0026839700000000, 0.0004171700000000 ] - [ -0.0010874000000000, 0.0015100900000000, 0.0004325100000000 ] - [ -0.0001419400000000, 0.0022814400000000, -0.0014148200000000 ] - [ 0.0000562000000000, 0.0015409400000000, -0.0008478900000000 ] - [ -0.0008200300000000, 0.0101222800000000, 0.0063852100000000 ] - [ -0.0006982000000000, -0.0007136900000000, 0.0006077500000000 ] - [ -0.0016428500000000, 0.0014749900000000, -0.0008113000000000 ] - [ -0.0009452000000000, 0.0010457900000000, -0.0002990200000000 ] - [ 0.0013543100000000, -0.0013302000000000, 0.0009698200000000 ] - [ -0.0024439900000000, 0.0020088900000000, 0.0018842400000000 ] - [ -0.0007945900000000, 0.0025797100000000, -0.0009766200000000 ] - [ 0.0013731500000000, 0.0036700800000000, -0.0005344200000000 ] - [ 0.0121370500000000, 0.0068732700000000, 0.0040461700000000 ] - [ -0.0059141000000000, 0.0026321900000000, -0.0003126200000000 ] - [ 0.0023094700000000, -0.0053147500000000, -0.0063820900000000 ] - [ -0.0029986200000000, -0.0047168100000000, 0.0004594400000000 ] - [ 0.0009915400000000, 0.0019561900000000, 0.0003615000000000 ] - [ 0.0010442300000000, 0.0017246100000000, 0.0002343300000000 ] - [ 0.0199790400000000, -0.0929823400000000, -0.0119312200000000 ] - [ 0.0002658300000000, -0.0037194200000000, -0.0005250000000000 ] - [ 0.0001593600000000, 0.0032770800000000, 0.0001020900000000 ] - [ 0.0002938100000000, 0.0022276600000000, 0.0003704200000000 ] - [ -0.0022278600000000, -0.0032945300000000, 0.0020520800000000 ] - [ 0.0008266500000000, -0.0013846700000000, -0.0001794500000000 ] - [ 0.0001823700000000, 0.0022278100000000, -0.0004264000000000 ] - [ 0.0002292500000000, 0.0017193100000000, -0.0003739300000000 ] - [ -0.0003580400000000, -0.0523920500000000, 0.0132324900000000 ] - [ 0.0039954900000000, -0.0047077500000000, 0.0002082300000000 ] - [ 0.0001930500000000, 0.0017692200000000, -0.0005425900000000 ] - [ 0.0002515200000000, 0.0015195800000000, -0.0004687200000000 ] - [ -0.0049143900000000, -0.0039211000000000, -0.0032639100000000 ] - [ 0.0017895100000000, -0.0020923800000000, 0.0002694800000000 ] - [ 0.0000482200000000, 0.0022037300000000, -0.0005613500000000 ] - [ -0.0000238800000000, 0.0016918300000000, -0.0005465100000000 ] - [ 0.0038015900000000, -0.0097078800000000, -0.0056942600000000 ] - [ -0.0040025000000000, -0.0019771700000000, -0.0026433900000000 ] - [ -0.0002030600000000, 0.0031005500000000, 0.0005204700000000 ] - [ 0.0001023100000000, 0.0024831000000000, 0.0006318500000000 ] - [ -0.0007576600000000, 0.0003326000000000, 0.0005933700000000 ] - [ 0.0001579300000000, 0.0001592000000000, -0.0000519100000000 ] - [ -0.0002239800000000, 0.0008874200000000, 0.0019487900000000 ] - [ -0.0008792800000000, 0.0004190600000000, 0.0006545300000000 ] - [ 0.0092008300000000, -0.0479991100000000, 0.0092468100000000 ] - [ 0.0017171600000000, -0.0039128600000000, -0.0023746500000000 ] - [ -0.0002399600000000, 0.0022972400000000, 0.0002616100000000 ] - [ -0.0004014000000000, 0.0022585100000000, 0.0003388900000000 ] - [ 0.0008683800000000, -0.0007135800000000, -0.0042498600000000 ] - [ 0.0007691000000000, -0.0037420600000000, 0.0016552000000000 ] - [ -0.0000505000000000, 0.0014879700000000, 0.0006085300000000 ] - [ 0.0001319900000000, 0.0013945200000000, 0.0004370200000000 ] - [ -0.0003455700000000, 0.0028579100000000, 0.0038041900000000 ] - [ 0.0014585300000000, -0.0016631000000000, 0.0009751700000000 ] - [ -0.0002720800000000, 0.0013361600000000, -0.0017067400000000 ] - [ 0.0000321300000000, 0.0004311000000000, -0.0007231700000000 ] - [ 0.0028736600000000, -0.0025022900000000, 0.0031123700000000 ] - [ 0.0009081300000000, -0.0011128700000000, -0.0002961200000000 ] - [ 0.0001021300000000, 0.0015213100000000, 0.0003479400000000 ] - [ 0.0002340900000000, 0.0012008700000000, 0.0002954000000000 ] - [ -0.0018050800000000, 0.0054079600000000, -0.0002549000000000 ] - [ -0.0006709400000000, 0.0013640200000000, -0.0001134400000000 ] - [ -0.0011538000000000, 0.0094177700000000, -0.0032507800000000 ] - [ -0.0006322900000000, 0.0003574400000000, -0.0005791600000000 ] - [ -0.0013862000000000, -0.0012198300000000, 0.0004498100000000 ] - [ 0.0024125800000000, 0.0026574900000000, 0.0022961500000000 ] - [ 0.0006444600000000, 0.0010047600000000, 0.0003358200000000 ] - [ -0.0001333500000000, 0.0009546500000000, 0.0004878600000000 ] - [ -0.0057467900000000, 0.0005368500000000, 0.0034940700000000 ] - [ 0.0050879800000000, 0.0037968600000000, 0.0019385600000000 ] - [ 0.0009140300000000, 0.0024082300000000, -0.0014250300000000 ] - [ -0.0012201400000000, 0.0010638100000000, -0.0016872100000000 ]- atom: 29 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ 0.0160937100000000, 0.0114272400000000, 0.0130969100000000 ] - [ -0.0177454200000000, 0.0055469600000000, 0.0170830000000000 ] - [ 0.0005134700000000, -0.0008634600000000, 0.0002451300000000 ] - [ -0.0001469000000000, 0.0001255800000000, -0.0001366400000000 ] - [ -0.0003524200000000, 0.0024666900000000, 0.0021186900000000 ] - [ -0.0003617500000000, 0.0029991100000000, 0.0025392500000000 ] - [ 0.0022510700000000, -0.0036165800000000, 0.0079087300000000 ] - [ -0.0037445600000000, -0.0032556300000000, 0.0088452500000000 ] - [ -0.0265394300000000, 0.0195810500000000, 0.0142130800000000 ] - [ 0.0187160400000000, 0.0095879000000000, 0.0148924200000000 ] - [ 0.0001274100000000, 0.0004876100000000, -0.0011500000000000 ] - [ 0.0004793600000000, 0.0007685500000000, -0.0013474200000000 ] - [ -0.0015573300000000, -0.0028692400000000, -0.0145832500000000 ] - [ 0.0120119800000000, -0.0162175100000000, -0.0148655400000000 ] - [ -0.0017700700000000, 0.0033525600000000, -0.0006005100000000 ] - [ 0.0009128300000000, 0.0026428600000000, -0.0014631300000000 ] - [ -0.0019548600000000, -0.0162309800000000, 0.0379777100000000 ] - [ 0.0029074600000000, -0.0004201700000000, -0.0007585700000000 ] - [ 0.0000780600000000, 0.0011274100000000, -0.0000435600000000 ] - [ 0.0001797300000000, 0.0008774500000000, -0.0000124800000000 ] - [ 0.0004965800000000, 0.0023237500000000, 0.0037134800000000 ] - [ -0.0001799800000000, 0.0010965800000000, 0.0017229600000000 ] - [ 0.0004234100000000, -0.0003610100000000, 0.0011990900000000 ] - [ 0.0000593000000000, -0.0001064500000000, 0.0007172500000000 ] - [ -0.0013746100000000, 0.0007851200000000, -0.0020098000000000 ] - [ 0.0010200000000000, -0.0001218500000000, -0.0002766100000000 ] - [ 0.0089293000000000, 0.0207207700000000, 0.0006688300000000 ] - [ -0.0018613600000000, 0.0002495200000000, -0.0011717500000000 ] - [ 0.0233295400000000, -0.0016714500000000, -0.3247917600000000 ] - [ 0.0000949800000000, -0.0016006900000000, -0.0045899000000000 ] - [ -0.0001500100000000, 0.0005709500000000, -0.0006170900000000 ] - [ -0.0001232300000000, 0.0003854500000000, -0.0006437200000000 ] - [ 0.0053288800000000, -0.0293861200000000, 0.0362701200000000 ] - [ -0.0023379700000000, -0.0007632800000000, -0.0005454500000000 ] - [ 0.0001448500000000, 0.0009844000000000, -0.0002469100000000 ] - [ 0.0001954000000000, 0.0006918600000000, -0.0003211200000000 ] - [ 0.0002035000000000, 0.0041261200000000, 0.0006280300000000 ] - [ 0.0009064700000000, 0.0019169800000000, -0.0016903600000000 ] - [ 0.0040803900000000, -0.0046771200000000, -0.0062031700000000 ] - [ 0.0003656300000000, -0.0013008600000000, -0.0018659800000000 ] - [ -0.0005282800000000, 0.0006663500000000, 0.0119064900000000 ] - [ -0.0001999400000000, -0.0019391000000000, 0.0043096700000000 ] - [ -0.0003885500000000, -0.0000232700000000, 0.0004560500000000 ] - [ -0.0002529900000000, -0.0000266100000000, 0.0003434800000000 ] - [ -0.0024802800000000, -0.0045809100000000, 0.0033052300000000 ] - [ 0.0004942400000000, -0.0000749900000000, 0.0018129500000000 ] - [ 0.0015432200000000, 0.0016143400000000, 0.0033603000000000 ] - [ 0.0001390000000000, 0.0007954200000000, 0.0018132700000000 ] - [ 0.0001029600000000, -0.0013156700000000, -0.0005524100000000 ] - [ -0.0000303200000000, -0.0011056700000000, 0.0001227300000000 ] - [ 0.0009755600000000, 0.0125645300000000, -0.0028366500000000 ] - [ -0.0000421800000000, 0.0018938400000000, 0.0007613100000000 ] - [ 0.0160876900000000, 0.0091130100000000, 0.0548817300000000 ] - [ 0.0020216300000000, -0.0021927800000000, 0.0086006600000000 ] - [ 0.0007365300000000, -0.0008051800000000, 0.0012447400000000 ] - [ 0.0006506300000000, -0.0004433300000000, 0.0012050700000000 ] - [ 0.0003306000000000, 0.0089481800000000, -0.0058774100000000 ] - [ -0.0012415100000000, 0.0018665000000000, 0.0007267400000000 ] - [ -0.0003489100000000, -0.0012873600000000, -0.0003966300000000 ] - [ 0.0000872800000000, -0.0009284500000000, -0.0004825500000000 ] - [ 0.0013732200000000, 0.0013523400000000, 0.0004341300000000 ] - [ -0.0009166700000000, 0.0010396400000000, -0.0010459700000000 ] - [ -0.0003257200000000, -0.0031631400000000, -0.0040705200000000 ] - [ -0.0007232800000000, -0.0009176500000000, -0.0009394200000000 ] - [ -0.0014190700000000, 0.0012922700000000, -0.0019350800000000 ] - [ -0.0009796700000000, -0.0000600800000000, -0.0011892600000000 ] - [ -0.0012495500000000, -0.0012359500000000, -0.0045198200000000 ] - [ -0.0005064400000000, -0.0018575100000000, -0.0039824600000000 ] - [ 0.0010995100000000, 0.0011988800000000, 0.0008981600000000 ] - [ -0.0008328100000000, -0.0010446900000000, 0.0001563700000000 ] - [ -0.0054638300000000, -0.0060979900000000, 0.0015550700000000 ] - [ 0.0037960800000000, -0.0022539700000000, 0.0010985900000000 ] - [ 0.0014349600000000, -0.0015094900000000, -0.0114476400000000 ] - [ 0.0021579900000000, 0.0008365300000000, -0.0026192700000000 ] - [ 0.0006336300000000, -0.0001781100000000, -0.0006331900000000 ] - [ 0.0005518000000000, -0.0002399700000000, -0.0005655500000000 ] - [ -0.0216770900000000, 0.0247449800000000, 0.0457262700000000 ] - [ -0.0013281700000000, 0.0006138200000000, 0.0025462700000000 ] - [ 0.0002669900000000, -0.0006320700000000, 0.0004015700000000 ] - [ -0.0002120200000000, -0.0002977700000000, 0.0002667000000000 ] - [ 0.0004477000000000, -0.0002448100000000, -0.0056381700000000 ] - [ 0.0026175100000000, 0.0011518500000000, -0.0042144500000000 ] - [ 0.0000115200000000, 0.0002078800000000, -0.0002835200000000 ] - [ 0.0000635000000000, 0.0002142600000000, -0.0002352200000000 ] - [ -0.0383905600000000, -0.0282314200000000, 0.0868430600000000 ] - [ -0.0012233800000000, 0.0005822300000000, 0.0015250100000000 ] - [ 0.0004994000000000, -0.0005335000000000, 0.0003311600000000 ] - [ 0.0004525000000000, -0.0005421400000000, 0.0003148500000000 ] - [ -0.0110451100000000, 0.0075035900000000, -0.0090709100000000 ] - [ 0.0045998800000000, 0.0030894400000000, -0.0025312600000000 ] - [ -0.0001822300000000, -0.0008412800000000, -0.0001076500000000 ] - [ -0.0001049500000000, -0.0006857900000000, -0.0000491200000000 ] - [ 0.0098890100000000, 0.0068903300000000, -0.0017844400000000 ] - [ -0.0072267500000000, 0.0018354800000000, -0.0018117400000000 ] - [ -0.0001394700000000, -0.0006381700000000, -0.0004581900000000 ] - [ -0.0003237900000000, -0.0003623000000000, -0.0005126500000000 ] - [ -0.0000488600000000, -0.0004736200000000, -0.0028672900000000 ] - [ -0.0007456500000000, -0.0008415800000000, -0.0013639200000000 ] - [ -0.0000675500000000, -0.0003835400000000, -0.0019982100000000 ] - [ 0.0002660100000000, -0.0001835300000000, -0.0013155400000000 ] - [ 0.0143274400000000, -0.0084345000000000, 0.0561701000000000 ] - [ -0.0002513400000000, 0.0015826900000000, 0.0036023300000000 ] - [ 0.0000864200000000, -0.0001576600000000, 0.0006701100000000 ] - [ 0.0000842000000000, -0.0002374100000000, 0.0005800500000000 ] - [ 0.0004505300000000, 0.0014366300000000, -0.0109568300000000 ] - [ -0.0003767000000000, -0.0000041200000000, -0.0018777500000000 ] - [ -0.0000709300000000, -0.0005491100000000, 0.0000025100000000 ] - [ -0.0001173800000000, -0.0005211800000000, 0.0001467800000000 ] - [ -0.0002011800000000, -0.0022211400000000, -0.0015682500000000 ] - [ 0.0017342800000000, -0.0029202100000000, -0.0000624200000000 ] - [ -0.0008573700000000, 0.0012427300000000, 0.0000231800000000 ] - [ 0.0002216000000000, 0.0003942000000000, -0.0001145400000000 ] - [ -0.0000319900000000, -0.0009461600000000, -0.0061893700000000 ] - [ -0.0007811100000000, -0.0002394700000000, -0.0050345900000000 ] - [ 0.0009152200000000, -0.0002969000000000, -0.0001112500000000 ] - [ 0.0007158600000000, -0.0003094200000000, -0.0003583700000000 ] - [ -0.0000739900000000, -0.0024839800000000, 0.0020544600000000 ] - [ -0.0030487300000000, 0.0001365900000000, 0.0033932200000000 ] - [ -0.0014815500000000, -0.0069382200000000, 0.0060533700000000 ] - [ -0.0004481800000000, -0.0002208500000000, 0.0018448900000000 ] - [ -0.0005876200000000, -0.0029230300000000, -0.0022268200000000 ] - [ -0.0003224200000000, -0.0018490500000000, -0.0013410200000000 ] - [ 0.0001294700000000, 0.0009435900000000, -0.0001976400000000 ] - [ -0.0001031700000000, 0.0004790800000000, 0.0002808400000000 ] - [ 0.0021788000000000, -0.0058837100000000, 0.0087071100000000 ] - [ -0.0033094400000000, -0.0027013100000000, 0.0004190000000000 ] - [ -0.0007620600000000, 0.0005003000000000, 0.0016656400000000 ] - [ -0.0003530500000000, -0.0001007800000000, 0.0009085400000000 ]- atom: 29 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ -0.0155610200000000, -0.0126003100000000, -0.0136522900000000 ] - [ 0.0183983200000000, -0.0068887400000000, -0.0176008800000000 ] - [ 0.0000685200000000, -0.0003310500000000, -0.0008002400000000 ] - [ 0.0007302800000000, -0.0013182000000000, -0.0004197800000000 ] - [ -0.0002231000000000, -0.0012737300000000, -0.0015672300000000 ] - [ -0.0002276800000000, -0.0018069600000000, -0.0019851200000000 ] - [ -0.0028055100000000, 0.0047748700000000, -0.0073136000000000 ] - [ 0.0031414500000000, 0.0044462700000000, -0.0082660200000000 ] - [ 0.0270150600000000, -0.0183821500000000, -0.0146839500000000 ] - [ -0.0180080200000000, -0.0082638400000000, -0.0155407300000000 ] - [ 0.0004530900000000, 0.0006978400000000, 0.0005904400000000 ] - [ 0.0001062800000000, 0.0004171800000000, 0.0007862200000000 ] - [ 0.0009791900000000, 0.0016990300000000, 0.0152993800000000 ] - [ -0.0125793500000000, 0.0149980800000000, 0.0153983800000000 ] - [ 0.0011851600000000, -0.0045347700000000, 0.0011454800000000 ] - [ -0.0014939500000000, -0.0038309300000000, 0.0020109600000000 ] - [ 0.0019210500000000, 0.0167639500000000, -0.0387466100000000 ] - [ -0.0026682100000000, 0.0006756700000000, 0.0004149100000000 ] - [ 0.0001407700000000, -0.0008699800000000, -0.0003027400000000 ] - [ 0.0000414000000000, -0.0006230000000000, -0.0003330900000000 ] - [ -0.0007236000000000, -0.0025566700000000, -0.0033730700000000 ] - [ -0.0000408700000000, -0.0013455000000000, -0.0013828200000000 ] - [ -0.0006433400000000, 0.0001027400000000, -0.0008470300000000 ] - [ -0.0002770300000000, -0.0001506000000000, -0.0003700400000000 ] - [ 0.0011536600000000, -0.0005344100000000, 0.0023635400000000 ] - [ -0.0012379100000000, 0.0003715800000000, 0.0006244100000000 ] - [ -0.0090852500000000, -0.0204463500000000, -0.0003786900000000 ] - [ 0.0016343700000000, 0.0000057100000000, 0.0015148400000000 ] - [ -0.0166005200000000, 0.0040568800000000, 0.3216482300000000 ] - [ -0.0006090200000000, 0.0017963500000000, 0.0042353000000000 ] - [ -0.0003487900000000, -0.0003699900000000, 0.0002622700000000 ] - [ -0.0003748000000000, -0.0001835000000000, 0.0002893700000000 ] - [ -0.0053281000000000, 0.0288044800000000, -0.0361768300000000 ] - [ 0.0025563600000000, 0.0005196500000000, 0.0001917400000000 ] - [ 0.0000756100000000, -0.0012402300000000, -0.0000997900000000 ] - [ 0.0000233800000000, -0.0009526900000000, -0.0000252100000000 ] - [ 0.0003071300000000, -0.0043282600000000, -0.0002871800000000 ] - [ -0.0004173900000000, -0.0021311700000000, 0.0020388200000000 ] - [ -0.0035700800000000, 0.0044479800000000, 0.0065341100000000 ] - [ 0.0001339700000000, 0.0010934300000000, 0.0022119000000000 ] - [ 0.0000313800000000, -0.0008928600000000, -0.0122624700000000 ] - [ -0.0003003600000000, 0.0017397400000000, -0.0046599900000000 ] - [ -0.0001110500000000, -0.0001818700000000, -0.0008057900000000 ] - [ -0.0002456200000000, -0.0001786400000000, -0.0006944900000000 ] - [ 0.0029819400000000, 0.0048037300000000, -0.0029514900000000 ] - [ 0.0000078900000000, 0.0002794700000000, -0.0014610700000000 ] - [ -0.0010256500000000, -0.0014130700000000, -0.0029875200000000 ] - [ 0.0003629600000000, -0.0005950100000000, -0.0014528800000000 ] - [ -0.0002860800000000, 0.0016147500000000, 0.0005660500000000 ] - [ -0.0001565200000000, 0.0014099200000000, -0.0001056000000000 ] - [ -0.0011356500000000, -0.0121862800000000, 0.0028160000000000 ] - [ -0.0001462500000000, -0.0015944500000000, -0.0007434900000000 ] - [ -0.0145904400000000, -0.0090973800000000, -0.0541572100000000 ] - [ -0.0004547300000000, 0.0022397600000000, -0.0078576000000000 ] - [ 0.0008046700000000, 0.0008670300000000, -0.0004988300000000 ] - [ 0.0008923800000000, 0.0005047600000000, -0.0004600000000000 ] - [ -0.0004663700000000, -0.0092543500000000, 0.0058792100000000 ] - [ 0.0010491500000000, -0.0021684500000000, -0.0007184500000000 ] - [ 0.0001633400000000, 0.0009840800000000, 0.0004090200000000 ] - [ -0.0002683000000000, 0.0006306900000000, 0.0004928100000000 ] - [ -0.0012883100000000, -0.0009061800000000, -0.0011936100000000 ] - [ 0.0009963500000000, -0.0005890600000000, 0.0002872300000000 ] - [ 0.0003952600000000, 0.0035262300000000, 0.0032303100000000 ] - [ 0.0008053700000000, 0.0013638100000000, 0.0001833700000000 ] - [ -0.0001206600000000, -0.0012358200000000, 0.0011930900000000 ] - [ -0.0005636600000000, 0.0001207400000000, 0.0004455900000000 ] - [ -0.0002941500000000, 0.0013006300000000, 0.0037685000000000 ] - [ -0.0010428200000000, 0.0019198100000000, 0.0032305600000000 ] - [ -0.0008243000000000, -0.0008238100000000, -0.0005055800000000 ] - [ 0.0011039300000000, 0.0014149200000000, 0.0002399700000000 ] - [ 0.0057244200000000, 0.0064659900000000, -0.0011603300000000 ] - [ -0.0035101100000000, 0.0026197100000000, -0.0007044200000000 ] - [ -0.0002726200000000, 0.0017761200000000, 0.0111968500000000 ] - [ -0.0010450400000000, -0.0005708100000000, 0.0023485000000000 ] - [ 0.0004828000000000, 0.0004378400000000, 0.0003679300000000 ] - [ 0.0005635600000000, 0.0004991900000000, 0.0003008900000000 ] - [ 0.0226391000000000, -0.0265961700000000, -0.0462686100000000 ] - [ 0.0015150200000000, -0.0009095500000000, -0.0025568300000000 ] - [ -0.0000829500000000, 0.0003363500000000, -0.0004155200000000 ] - [ 0.0003937800000000, 0.0000026200000000, -0.0002793700000000 ] - [ -0.0002751400000000, 0.0005298100000000, 0.0056281700000000 ] - [ -0.0024284700000000, -0.0008567400000000, 0.0041998100000000 ] - [ 0.0001678700000000, 0.0000944100000000, 0.0002683300000000 ] - [ 0.0001191200000000, 0.0000863600000000, 0.0002218700000000 ] - [ 0.0348553500000000, 0.0260321700000000, -0.0809339200000000 ] - [ 0.0023491400000000, -0.0008514900000000, -0.0017821400000000 ] - [ 0.0006144500000000, 0.0002753900000000, -0.0005962500000000 ] - [ 0.0006607700000000, 0.0002830000000000, -0.0005789900000000 ] - [ 0.0106951800000000, -0.0078277600000000, 0.0086141300000000 ] - [ -0.0048629600000000, -0.0034678200000000, 0.0021355200000000 ] - [ -0.0000920700000000, 0.0004712800000000, -0.0002882800000000 ] - [ -0.0001655200000000, 0.0003155000000000, -0.0003471100000000 ] - [ -0.0101976000000000, -0.0065699000000000, 0.0014028500000000 ] - [ 0.0069043500000000, -0.0014604200000000, 0.0014017000000000 ] - [ -0.0001347300000000, 0.0010076500000000, 0.0000627400000000 ] - [ 0.0000507400000000, 0.0007332700000000, 0.0001162600000000 ] - [ -0.0010676300000000, 0.0002040400000000, 0.0031376900000000 ] - [ -0.0003661400000000, 0.0005821700000000, 0.0016305100000000 ] - [ -0.0010460900000000, 0.0001247500000000, 0.0022469400000000 ] - [ -0.0013802700000000, -0.0000751800000000, 0.0015775500000000 ] - [ -0.0174581100000000, 0.0102981500000000, -0.0583423600000000 ] - [ 0.0001635700000000, -0.0011330900000000, -0.0028581000000000 ] - [ -0.0001688600000000, 0.0006073400000000, 0.0000852600000000 ] - [ -0.0001675500000000, 0.0006867500000000, 0.0001752300000000 ] - [ -0.0004844600000000, -0.0018903000000000, 0.0118123100000000 ] - [ 0.0002901300000000, -0.0004579800000000, 0.0026329600000000 ] - [ -0.0000113500000000, 0.0000998200000000, 0.0007514900000000 ] - [ 0.0000330000000000, 0.0000731900000000, 0.0006076500000000 ] - [ 0.0002753300000000, 0.0017718300000000, 0.0008302300000000 ] - [ -0.0016552300000000, 0.0024810100000000, -0.0006858200000000 ] - [ 0.0009370100000000, -0.0016817600000000, -0.0007798100000000 ] - [ -0.0001379900000000, -0.0008418300000000, -0.0006387200000000 ] - [ 0.0015667700000000, 0.0008934400000000, 0.0069179300000000 ] - [ 0.0023262400000000, 0.0001771900000000, 0.0057712100000000 ] - [ 0.0006254200000000, 0.0002356600000000, 0.0008540500000000 ] - [ 0.0008260100000000, 0.0002481700000000, 0.0011001800000000 ] - [ -0.0010463600000000, 0.0027561900000000, -0.0017930600000000 ] - [ 0.0019338000000000, 0.0001269200000000, -0.0031308600000000 ] - [ 0.0003626000000000, 0.0072288900000000, -0.0057751100000000 ] - [ -0.0006656100000000, 0.0004803300000000, -0.0015749600000000 ] - [ 0.0008684000000000, 0.0025473100000000, 0.0026269000000000 ] - [ 0.0005974800000000, 0.0014811600000000, 0.0017446300000000 ] - [ 0.0001443200000000, -0.0013085400000000, 0.0005912300000000 ] - [ 0.0003734100000000, -0.0008451400000000, 0.0001171900000000 ] - [ -0.0037146300000000, 0.0057951400000000, -0.0094234900000000 ] - [ 0.0018259200000000, 0.0026803700000000, -0.0011460800000000 ] - [ -0.0007751900000000, -0.0005539300000000, -0.0024020800000000 ] - [ -0.0011875900000000, 0.0000404400000000, -0.0016474900000000 ]- atom: 49 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ 0.0004284500000000, -0.0009940200000000, -0.0001961200000000 ] - [ 0.0000319000000000, -0.0003651800000000, -0.0001816600000000 ] - [ 0.0011913500000000, 0.0010834600000000, 0.0033744900000000 ] - [ -0.0012009600000000, -0.0013396800000000, 0.0004089300000000 ] - [ -0.0095190400000000, 0.0030483700000000, -0.0080882500000000 ] - [ 0.0202251400000000, 0.0011422000000000, -0.0128096700000000 ] - [ -0.0003872700000000, 0.0005563600000000, -0.0000040300000000 ] - [ -0.0001538100000000, 0.0006190700000000, 0.0002727400000000 ] - [ -0.0001738600000000, -0.0034869800000000, -0.0009313900000000 ] - [ -0.0045529300000000, 0.0051505200000000, 0.0007879600000000 ] - [ 0.0034004700000000, 0.0053586800000000, -0.0020512500000000 ] - [ -0.0038456600000000, -0.0065045500000000, 0.0003690900000000 ] - [ -0.0052554100000000, 0.0019846900000000, 0.0035638900000000 ] - [ 0.0001112600000000, -0.0012747200000000, -0.0022186300000000 ] - [ -0.0006232300000000, -0.0008592900000000, 0.0012410600000000 ] - [ 0.0000830900000000, -0.0000313700000000, 0.0004967300000000 ] - [ 0.0011078400000000, 0.0000524400000000, -0.0002240600000000 ] - [ -0.0006823300000000, -0.0001184700000000, 0.0002542100000000 ] - [ 0.0007209900000000, 0.0005727400000000, 0.0003829900000000 ] - [ -0.0004246200000000, 0.0005853500000000, 0.0001750100000000 ] - [ 0.0090793100000000, 0.0018830600000000, -0.0048578500000000 ] - [ -0.0035437600000000, -0.0025327800000000, -0.0002454100000000 ] - [ 0.0006808400000000, -0.0004336700000000, 0.0000326700000000 ] - [ -0.0012997900000000, 0.0008600000000000, 0.0000802800000000 ] - [ 0.0043601100000000, -0.0035711100000000, 0.0053045900000000 ] - [ -0.0021269500000000, 0.0005457800000000, -0.0002014900000000 ] - [ 0.0001635300000000, 0.0001541700000000, 0.0002429200000000 ] - [ -0.0003344700000000, 0.0001078100000000, 0.0002649500000000 ] - [ 0.0014916000000000, 0.0007452100000000, 0.0000368200000000 ] - [ -0.0014382500000000, -0.0005711100000000, -0.0001255600000000 ] - [ 0.0008967000000000, -0.0012033100000000, 0.0008645100000000 ] - [ -0.0013372500000000, 0.0007872800000000, -0.0001308600000000 ] - [ 0.0008247200000000, -0.0002703600000000, 0.0000017100000000 ] - [ -0.0006039700000000, 0.0000920700000000, -0.0004302500000000 ] - [ 0.0637337200000000, 0.0273417300000000, -0.0050310000000000 ] - [ -0.0086351200000000, -0.0013032500000000, -0.0014999700000000 ] - [ 0.0618896500000000, -0.0191281100000000, -0.0217200800000000 ] - [ -0.0040258300000000, -0.0002774900000000, -0.0012816500000000 ] - [ 0.0008010700000000, -0.0001690000000000, 0.0003592000000000 ] - [ -0.0005559500000000, -0.0003067300000000, -0.0001362200000000 ] - [ 0.0009132100000000, 0.0006107300000000, -0.0004195800000000 ] - [ -0.0011456400000000, -0.0010953400000000, -0.0000103200000000 ] - [ 0.0044041200000000, -0.0002269400000000, 0.0002829600000000 ] - [ -0.0040985300000000, 0.0015509900000000, -0.0013634000000000 ] - [ 0.0047377900000000, -0.0022047900000000, 0.0005845200000000 ] - [ -0.0030154300000000, 0.0008360100000000, 0.0026456500000000 ] - [ 0.0005809200000000, 0.0001944200000000, 0.0001002800000000 ] - [ -0.0000084700000000, 0.0002379300000000, 0.0001439600000000 ] - [ -0.2078544100000000, 0.0027800500000000, 0.0594394500000000 ] - [ 0.0031370700000000, 0.0005291600000000, -0.0003987900000000 ] - [ -0.0004090400000000, 0.0002608400000000, 0.0000671500000000 ] - [ 0.0001949800000000, 0.0001826100000000, 0.0000305900000000 ] - [ 0.0001022400000000, -0.0012164900000000, -0.0003644100000000 ] - [ 0.0016857700000000, 0.0006555400000000, 0.0009577300000000 ] - [ 0.0002243100000000, 0.0006317500000000, -0.0005650800000000 ] - [ 0.0009382700000000, -0.0004237200000000, 0.0007079200000000 ] - [ -0.0012192700000000, 0.0003972800000000, -0.0002657100000000 ] - [ 0.0014322400000000, 0.0003282100000000, -0.0015079900000000 ] - [ -0.0002609900000000, -0.0003458900000000, -0.0000250300000000 ] - [ 0.0001985700000000, -0.0004188700000000, -0.0001059700000000 ] - [ -0.0010647300000000, 0.0012526000000000, -0.0027100400000000 ] - [ 0.0009219400000000, 0.0002013300000000, -0.0010631500000000 ] - [ -0.0000830800000000, 0.0001689700000000, -0.0004242500000000 ] - [ 0.0001403900000000, 0.0001860100000000, -0.0004213700000000 ] - [ -0.0053192300000000, 0.0007189600000000, -0.0052771100000000 ] - [ 0.0014644800000000, -0.0004003700000000, 0.0007343800000000 ] - [ -0.0009072000000000, 0.0000656400000000, -0.0004064000000000 ] - [ -0.0005903400000000, -0.0000354900000000, -0.0002491200000000 ] - [ -0.0025574100000000, 0.0008050800000000, 0.0002382100000000 ] - [ 0.0017880500000000, 0.0004995400000000, 0.0001253400000000 ] - [ -0.0000469300000000, 0.0001405200000000, 0.0001462300000000 ] - [ 0.0002898800000000, 0.0002186600000000, 0.0001619900000000 ] - [ 0.0000351400000000, 0.0001720600000000, 0.0000683000000000 ] - [ 0.0009753000000000, 0.0003161400000000, -0.0003403800000000 ] - [ -0.0005400900000000, -0.0007801000000000, -0.0009147500000000 ] - [ 0.0019288400000000, -0.0002097800000000, -0.0007909300000000 ] - [ -0.0002082300000000, -0.0004196100000000, -0.0001347600000000 ] - [ 0.0004344300000000, -0.0000219100000000, -0.0001010100000000 ] - [ -0.0002082100000000, 0.0009746300000000, -0.0011640100000000 ] - [ 0.0008575100000000, -0.0004529800000000, -0.0000548800000000 ] - [ -0.0019532000000000, -0.0018132500000000, 0.0022573400000000 ] - [ 0.0009992400000000, 0.0016115200000000, -0.0004248500000000 ] - [ -0.0019554600000000, 0.0001518500000000, 0.0010801600000000 ] - [ 0.0009998400000000, -0.0015512800000000, 0.0000790500000000 ] - [ -0.0003843300000000, 0.0004770200000000, 0.0000523100000000 ] - [ 0.0018254400000000, -0.0004466600000000, -0.0009285100000000 ] - [ -0.0078493700000000, 0.0026512200000000, 0.0005893800000000 ] - [ 0.0036839500000000, -0.0010798200000000, -0.0000741500000000 ] - [ -0.0006504500000000, -0.0006769900000000, -0.0001501300000000 ] - [ 0.0003442000000000, 0.0003257300000000, -0.0001898200000000 ] - [ 0.0350426200000000, 0.0355219800000000, 0.0069702500000000 ] - [ 0.0147848500000000, -0.0109549800000000, 0.0010720600000000 ] - [ -0.0005961500000000, -0.0002059900000000, -0.0005358700000000 ] - [ 0.0002523300000000, 0.0007078600000000, -0.0001167600000000 ] - [ -0.0003993800000000, 0.0002114300000000, -0.0004930800000000 ] - [ 0.0000868000000000, -0.0005737000000000, -0.0005501700000000 ] - [ -0.0023822200000000, -0.0007332900000000, 0.0029971000000000 ] - [ 0.0052333800000000, 0.0042861000000000, -0.0022439500000000 ] - [ -0.0007845700000000, -0.0000475100000000, 0.0002839700000000 ] - [ -0.0002817500000000, -0.0003332600000000, 0.0000905200000000 ] - [ -0.0006881000000000, 0.0007823600000000, 0.0007205800000000 ] - [ 0.0007239200000000, -0.0001805000000000, 0.0002512500000000 ] - [ -0.0007446100000000, 0.0002070800000000, -0.0003624400000000 ] - [ 0.0004905400000000, 0.0000376500000000, 0.0002683300000000 ] - [ -0.0006641300000000, -0.0000989600000000, 0.0002507100000000 ] - [ 0.0006895100000000, -0.0002879500000000, 0.0008489200000000 ] - [ -0.0105787900000000, -0.0102099600000000, -0.0077078300000000 ] - [ 0.0050482900000000, -0.0001610400000000, 0.0011058200000000 ] - [ 0.0260731100000000, -0.0407252500000000, 0.0074373100000000 ] - [ 0.0037392000000000, 0.0022953900000000, 0.0003276000000000 ] - [ -0.0004544400000000, 0.0001143600000000, -0.0002914400000000 ] - [ 0.0004208700000000, -0.0005928200000000, -0.0002142300000000 ] - [ 0.0007623600000000, -0.0002974800000000, 0.0005350300000000 ] - [ 0.0008156900000000, 0.0002017800000000, 0.0003191200000000 ] - [ -0.0002211800000000, 0.0006559900000000, 0.0017804900000000 ] - [ 0.0041716200000000, -0.0058169400000000, -0.0031316300000000 ] - [ 0.0113570600000000, -0.0125635300000000, -0.0229025000000000 ] - [ 0.0007588500000000, 0.0004258500000000, 0.0008518900000000 ] - [ -0.0007767500000000, 0.0002459700000000, 0.0000805700000000 ] - [ -0.0002108800000000, 0.0001282300000000, 0.0000106300000000 ] - [ -0.0042364900000000, 0.0078295000000000, -0.0022355300000000 ] - [ 0.0038346900000000, -0.0000630500000000, 0.0011269000000000 ] - [ -0.0005086600000000, -0.0006022000000000, -0.0000516100000000 ] - [ 0.0012231800000000, 0.0002770500000000, 0.0011040700000000 ] - [ -0.0059025000000000, 0.0149466100000000, 0.0082371400000000 ] - [ 0.0016598600000000, 0.0006737200000000, -0.0000028700000000 ] - [ -0.0012889800000000, -0.0001605200000000, -0.0002476900000000 ] - [ 0.0001415000000000, 0.0008174900000000, -0.0013790100000000 ]- atom: 49 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ 0.0001525700000000, -0.0002009900000000, -0.0003661500000000 ] - [ 0.0005531900000000, -0.0008286900000000, -0.0003801800000000 ] - [ -0.0006282900000000, -0.0022843200000000, -0.0039811800000000 ] - [ 0.0017988500000000, 0.0001486100000000, -0.0009803800000000 ] - [ 0.0089593600000000, -0.0018360700000000, 0.0086591100000000 ] - [ -0.0217819400000000, 0.0000293000000000, 0.0147447800000000 ] - [ -0.0001930100000000, 0.0006335400000000, 0.0005623700000000 ] - [ -0.0004330900000000, 0.0005741000000000, 0.0002889700000000 ] - [ 0.0007262000000000, 0.0046778400000000, 0.0004052800000000 ] - [ 0.0051432900000000, -0.0039778900000000, -0.0013290200000000 ] - [ -0.0028923900000000, -0.0041646500000000, 0.0015202100000000 ] - [ 0.0044520900000000, 0.0076897500000000, -0.0009098000000000 ] - [ 0.0046968400000000, -0.0031898200000000, -0.0030251900000000 ] - [ -0.0007282000000000, 0.0000764400000000, 0.0027311300000000 ] - [ 0.0000470000000000, -0.0003327500000000, -0.0006824200000000 ] - [ -0.0006750100000000, -0.0011600000000000, 0.0000522900000000 ] - [ -0.0008849800000000, 0.0002035000000000, -0.0001248600000000 ] - [ 0.0008997300000000, 0.0003773100000000, -0.0006031300000000 ] - [ -0.0004985600000000, -0.0003164400000000, -0.0007364400000000 ] - [ 0.0006433800000000, -0.0003357100000000, -0.0005252400000000 ] - [ -0.0093127900000000, -0.0021923200000000, 0.0052357500000000 ] - [ 0.0033396700000000, 0.0023027500000000, 0.0005924600000000 ] - [ -0.0008970600000000, 0.0001796400000000, 0.0003142400000000 ] - [ 0.0010759500000000, -0.0011209100000000, 0.0002674500000000 ] - [ -0.0045780200000000, 0.0038313900000000, -0.0050051300000000 ] - [ 0.0019104600000000, -0.0002915500000000, 0.0005460500000000 ] - [ -0.0003838500000000, 0.0000989700000000, 0.0001013700000000 ] - [ 0.0001130400000000, 0.0001460500000000, 0.0000802300000000 ] - [ -0.0019862400000000, -0.0005461600000000, -0.0003921500000000 ] - [ 0.0009359400000000, 0.0007713600000000, -0.0002258500000000 ] - [ -0.0013501700000000, 0.0014205200000000, -0.0012698100000000 ] - [ 0.0008320300000000, -0.0005912200000000, -0.0002128100000000 ] - [ -0.0006004700000000, 0.0000141300000000, -0.0003427900000000 ] - [ 0.0008217400000000, -0.0003446800000000, 0.0000856900000000 ] - [ -0.0637748200000000, -0.0260213300000000, 0.0047703900000000 ] - [ 0.0088887300000000, 0.0010701800000000, 0.0011629500000000 ] - [ -0.0611606100000000, 0.0174226100000000, 0.0211495800000000 ] - [ 0.0045391700000000, 0.0000741100000000, 0.0016558300000000 ] - [ -0.0002946000000000, -0.0000307600000000, -0.0000023800000000 ] - [ 0.0010508600000000, 0.0000999200000000, 0.0004883800000000 ] - [ -0.0014076300000000, -0.0008125600000000, 0.0000663200000000 ] - [ 0.0006479100000000, 0.0008955300000000, -0.0003450500000000 ] - [ -0.0048767500000000, 0.0000416000000000, -0.0006119600000000 ] - [ 0.0036181400000000, -0.0017741800000000, 0.0010137700000000 ] - [ -0.0042653400000000, 0.0024311300000000, -0.0002329100000000 ] - [ 0.0035324400000000, -0.0006371300000000, -0.0023190900000000 ] - [ -0.0000817200000000, 0.0000099800000000, 0.0002500300000000 ] - [ 0.0005060400000000, -0.0000362700000000, 0.0002062900000000 ] - [ 0.2079159300000000, -0.0022624200000000, -0.0600563600000000 ] - [ -0.0033361700000000, -0.0002386100000000, 0.0004102900000000 ] - [ 0.0002260700000000, 0.0000375000000000, -0.0000559200000000 ] - [ -0.0003744000000000, 0.0001170800000000, -0.0000176300000000 ] - [ 0.0014339000000000, 0.0012850700000000, 0.0011030400000000 ] - [ -0.0001336300000000, -0.0005921000000000, -0.0002155800000000 ] - [ 0.0012912100000000, -0.0005826700000000, 0.0013072700000000 ] - [ 0.0006150600000000, 0.0004892600000000, 0.0000363700000000 ] - [ 0.0010388100000000, -0.0007003600000000, 0.0002833400000000 ] - [ -0.0016197300000000, -0.0006311200000000, 0.0015291600000000 ] - [ 0.0000786400000000, 0.0000453300000000, 0.0000404700000000 ] - [ -0.0003814100000000, 0.0001228300000000, 0.0001195400000000 ] - [ 0.0011554000000000, -0.0008022400000000, 0.0019646800000000 ] - [ -0.0008373700000000, 0.0002464400000000, 0.0003183000000000 ] - [ 0.0001670500000000, 0.0002804800000000, -0.0003303400000000 ] - [ -0.0000535900000000, 0.0002631100000000, -0.0003313900000000 ] - [ 0.0038394400000000, -0.0006666600000000, 0.0045851400000000 ] - [ -0.0030186900000000, 0.0004651300000000, -0.0014780700000000 ] - [ -0.0006355100000000, -0.0000044700000000, -0.0003362700000000 ] - [ -0.0009533700000000, 0.0000971900000000, -0.0004931400000000 ] - [ 0.0028459500000000, -0.0004391300000000, 0.0001912900000000 ] - [ -0.0015229500000000, -0.0001285700000000, 0.0002724500000000 ] - [ 0.0003179300000000, 0.0002313000000000, 0.0002506700000000 ] - [ -0.0000185400000000, 0.0001547000000000, 0.0002338000000000 ] - [ 0.0010808000000000, 0.0000884800000000, -0.0003299300000000 ] - [ 0.0001396400000000, -0.0000566500000000, 0.0000776600000000 ] - [ 0.0016575200000000, 0.0010441100000000, 0.0006484200000000 ] - [ -0.0008241300000000, 0.0004736400000000, 0.0005353300000000 ] - [ 0.0003871700000000, 0.0001227100000000, 0.0001224600000000 ] - [ -0.0002484600000000, -0.0002745100000000, 0.0000880800000000 ] - [ 0.0003808200000000, -0.0012774700000000, 0.0011678700000000 ] - [ -0.0006732900000000, 0.0001562500000000, 0.0000417500000000 ] - [ 0.0021369500000000, 0.0021038200000000, -0.0022599600000000 ] - [ -0.0008127300000000, -0.0013265600000000, 0.0004131600000000 ] - [ 0.0021328400000000, 0.0001497700000000, -0.0010945100000000 ] - [ -0.0008113600000000, 0.0018637500000000, -0.0000966200000000 ] - [ 0.0014972000000000, -0.0007300300000000, -0.0003217400000000 ] - [ -0.0007052500000000, 0.0001856700000000, 0.0006570400000000 ] - [ 0.0089626000000000, -0.0031512500000000, -0.0007930100000000 ] - [ -0.0025771300000000, 0.0008239200000000, -0.0002049000000000 ] - [ 0.0003746000000000, 0.0003041200000000, -0.0002465500000000 ] - [ -0.0006131100000000, -0.0006962400000000, -0.0002068000000000 ] - [ -0.0347730000000000, -0.0352703900000000, -0.0072744100000000 ] - [ -0.0152705500000000, 0.0107759600000000, -0.0014654200000000 ] - [ 0.0003247200000000, 0.0005787500000000, 0.0001404200000000 ] - [ -0.0005197100000000, -0.0003326400000000, -0.0002739800000000 ] - [ 0.0001237600000000, 0.0001587900000000, 0.0000988200000000 ] - [ -0.0003551100000000, 0.0009495000000000, 0.0001580500000000 ] - [ 0.0012686900000000, 0.0004711800000000, -0.0027445800000000 ] - [ -0.0064007700000000, -0.0045964800000000, 0.0025269000000000 ] - [ -0.0003319000000000, -0.0002122700000000, -0.0000186200000000 ] - [ -0.0008304700000000, 0.0000757100000000, 0.0001750200000000 ] - [ 0.0006014400000000, -0.0003288500000000, 0.0000412800000000 ] - [ -0.0008081400000000, 0.0006285800000000, 0.0005033700000000 ] - [ 0.0006628900000000, 0.0002361700000000, 0.0011310900000000 ] - [ -0.0005763200000000, 0.0004122100000000, 0.0004862800000000 ] - [ 0.0005791000000000, -0.0003502400000000, 0.0005016800000000 ] - [ -0.0007737500000000, -0.0001633100000000, -0.0000935300000000 ] - [ 0.0106475000000000, 0.0096253700000000, 0.0084267700000000 ] - [ -0.0051451600000000, -0.0002904200000000, -0.0003431500000000 ] - [ -0.0257917400000000, 0.0396783000000000, -0.0081182000000000 ] - [ -0.0036968200000000, -0.0027863700000000, -0.0010851900000000 ] - [ 0.0005338000000000, -0.0005617400000000, -0.0004658000000000 ] - [ -0.0003325000000000, 0.0001430900000000, -0.0005418700000000 ] - [ 0.0007799900000000, 0.0002349900000000, 0.0002093100000000 ] - [ 0.0007293900000000, -0.0002643700000000, 0.0004246800000000 ] - [ 0.0017570100000000, -0.0007175600000000, -0.0010392300000000 ] - [ -0.0026630100000000, 0.0058228100000000, 0.0039108200000000 ] - [ -0.0124649000000000, 0.0126957100000000, 0.0229682700000000 ] - [ -0.0018735900000000, -0.0001704600000000, -0.0005968300000000 ] - [ -0.0003414300000000, 0.0000132900000000, 0.0001854300000000 ] - [ -0.0009000400000000, 0.0001321800000000, 0.0002530500000000 ] - [ 0.0045706400000000, -0.0082083700000000, 0.0026298500000000 ] - [ -0.0035902400000000, -0.0003106700000000, -0.0007375000000000 ] - [ 0.0007791700000000, 0.0002274800000000, 0.0004469100000000 ] - [ -0.0009483300000000, -0.0006436300000000, -0.0007017200000000 ] - [ 0.0044515200000000, -0.0149145300000000, -0.0089793500000000 ] - [ -0.0032151700000000, -0.0007341900000000, -0.0007458700000000 ] - [ -0.0002505900000000, 0.0000847900000000, -0.0004925400000000 ] - [ -0.0016801100000000, -0.0008728500000000, 0.0006239600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001148600000000, -0.0046785800000000, -0.0004780200000000 ] - [ 0.0006983100000000, -0.0038828800000000, -0.0001987500000000 ] - [ 0.0020530500000000, 0.0040848000000000, -0.0013815500000000 ] - [ -0.0010592800000000, 0.0030723900000000, -0.0017464900000000 ] - [ -0.0003540500000000, 0.0147346200000000, -0.0016572200000000 ] - [ 0.0011664400000000, 0.0298436100000000, 0.0010834000000000 ] - [ -0.0003384500000000, -0.0043243800000000, 0.0004165700000000 ] - [ 0.0000400000000000, -0.0048484700000000, 0.0004531400000000 ] - [ -0.0076173100000000, -0.0090770100000000, 0.0036455100000000 ] - [ 0.0057931100000000, -0.0058485100000000, -0.0014566000000000 ] - [ 0.0110586800000000, -0.0087241800000000, -0.0017800800000000 ] - [ -0.0049064300000000, -0.0057732500000000, -0.0001580000000000 ] - [ 0.0029685600000000, 0.0002962400000000, -0.0032621400000000 ] - [ -0.0065542600000000, 0.0035474000000000, -0.0119584600000000 ] - [ -0.0013611800000000, -0.0041394300000000, 0.0019558200000000 ] - [ 0.0008505700000000, -0.0043773600000000, 0.0025201500000000 ] - [ 0.0008469600000000, 0.0001458100000000, -0.0009773200000000 ] - [ -0.0007220500000000, 0.0003805100000000, -0.0006352400000000 ] - [ -0.0011269600000000, -0.0019973900000000, -0.0000954200000000 ] - [ 0.0003257900000000, -0.0003541700000000, 0.0000373600000000 ] - [ 0.0016263900000000, -0.0018826400000000, 0.0082408000000000 ] - [ -0.0001262600000000, 0.0015432400000000, 0.0022371400000000 ] - [ -0.0004056300000000, -0.0037005100000000, -0.0003804500000000 ] - [ -0.0001356000000000, -0.0019313000000000, -0.0004178000000000 ] - [ -0.0012457100000000, 0.0072075200000000, -0.0025617400000000 ] - [ -0.0002673500000000, 0.0032840100000000, -0.0004437700000000 ] - [ -0.0001450300000000, -0.0023714500000000, 0.0005105900000000 ] - [ -0.0002488200000000, -0.0020952900000000, 0.0005033300000000 ] - [ 0.0010675500000000, -0.0031712100000000, -0.0016272900000000 ] - [ -0.0011581900000000, -0.0020738700000000, -0.0014427500000000 ] - [ -0.0085368500000000, 0.0007347600000000, 0.0121345200000000 ] - [ 0.0001880000000000, 0.0015968800000000, 0.0015720400000000 ] - [ 0.0003037900000000, -0.0034075300000000, 0.0005423500000000 ] - [ -0.0002833100000000, -0.0025298500000000, 0.0001193800000000 ] - [ 0.0381328700000000, 0.1224745300000000, 0.0143632500000000 ] - [ 0.0020889300000000, 0.0030349200000000, 0.0007092500000000 ] - [ -0.0240353600000000, 0.0873342100000000, 0.0237868700000000 ] - [ -0.0009649900000000, 0.0034644100000000, 0.0009200800000000 ] - [ -0.0003507100000000, -0.0035356000000000, -0.0003159800000000 ] - [ 0.0003790500000000, -0.0024763400000000, 0.0000281300000000 ] - [ -0.0000613100000000, -0.0029383500000000, 0.0009615400000000 ] - [ -0.0003173900000000, -0.0017659300000000, 0.0006026600000000 ] - [ -0.0107416500000000, -0.0007075200000000, -0.0093998000000000 ] - [ -0.0006239000000000, 0.0009030300000000, -0.0022034800000000 ] - [ -0.0011102400000000, 0.0035426900000000, 0.0005598200000000 ] - [ -0.0002374600000000, 0.0016403600000000, -0.0008190700000000 ] - [ 0.0003888200000000, -0.0019785100000000, 0.0001207100000000 ] - [ 0.0004381800000000, -0.0014693200000000, 0.0001142800000000 ] - [ -0.0020795300000000, -0.4159394200000000, -0.0835190500000000 ] - [ 0.0002967700000000, -0.0036527000000000, -0.0009965400000000 ] - [ 0.0000206400000000, 0.0032734800000000, 0.0005046900000000 ] - [ -0.0000582500000000, 0.0025244900000000, 0.0003927400000000 ] - [ 0.0001859500000000, 0.0009176300000000, 0.0015187000000000 ] - [ 0.0037568300000000, 0.0015895000000000, 0.0019527400000000 ] - [ 0.0045730200000000, 0.0028193800000000, -0.0018718800000000 ] - [ -0.0007581400000000, 0.0005011400000000, -0.0017880500000000 ] - [ -0.0006391800000000, -0.0015042200000000, 0.0008417400000000 ] - [ -0.0005687000000000, -0.0012815800000000, 0.0009451700000000 ] - [ 0.0001059800000000, 0.0016709700000000, -0.0004128800000000 ] - [ 0.0001811500000000, 0.0008123400000000, -0.0003474200000000 ] - [ -0.0001705700000000, -0.0024517700000000, 0.0006422800000000 ] - [ 0.0004785800000000, -0.0020586500000000, 0.0003795000000000 ] - [ 0.0001553400000000, 0.0017452300000000, -0.0003148600000000 ] - [ 0.0000900100000000, 0.0016741100000000, -0.0004066000000000 ] - [ 0.0001324600000000, -0.0027418700000000, 0.0007184300000000 ] - [ 0.0001240800000000, -0.0013624100000000, 0.0002731600000000 ] - [ -0.0013836800000000, 0.0015943200000000, -0.0002863400000000 ] - [ -0.0012646600000000, 0.0012698900000000, -0.0002997600000000 ] - [ 0.0004523000000000, -0.0040337500000000, 0.0012198500000000 ] - [ 0.0001818700000000, -0.0024102900000000, 0.0010726300000000 ] - [ 0.0001641200000000, 0.0022884500000000, -0.0003169800000000 ] - [ 0.0002504800000000, 0.0020540800000000, -0.0002337500000000 ] - [ 0.0007473800000000, 0.0013117500000000, -0.0003055900000000 ] - [ 0.0009876100000000, 0.0008448100000000, -0.0002107700000000 ] - [ 0.0006958300000000, 0.0008799800000000, 0.0046107900000000 ] - [ 0.0006432100000000, -0.0002287500000000, 0.0003124200000000 ] - [ -0.0001811100000000, 0.0021282500000000, 0.0007173100000000 ] - [ 0.0002186500000000, 0.0019053200000000, 0.0006156700000000 ] - [ 0.0012235700000000, -0.0046363300000000, -0.0023448700000000 ] - [ -0.0002117700000000, -0.0023725700000000, -0.0007747400000000 ] - [ 0.0000915000000000, 0.0031399800000000, -0.0019137200000000 ] - [ 0.0017978500000000, 0.0006067500000000, -0.0013450500000000 ] - [ 0.0020504600000000, 0.0031331400000000, 0.0003932800000000 ] - [ -0.0013816500000000, 0.0005898500000000, 0.0014706500000000 ] - [ -0.0006394600000000, 0.0031430300000000, -0.0006047100000000 ] - [ -0.0002797500000000, 0.0013981400000000, 0.0002846400000000 ] - [ 0.0032862200000000, 0.0469437700000000, -0.0210372900000000 ] - [ 0.0011544700000000, -0.0007649600000000, -0.0009765700000000 ] - [ -0.0003212800000000, 0.0022012300000000, -0.0008622600000000 ] - [ 0.0003775400000000, 0.0026405200000000, -0.0009204000000000 ] - [ 0.0278407800000000, 0.0090463400000000, 0.0050252100000000 ] - [ -0.0084976200000000, -0.0010810400000000, 0.0011396000000000 ] - [ -0.0006837100000000, 0.0008103300000000, 0.0001303600000000 ] - [ 0.0007402600000000, 0.0016007200000000, 0.0007761000000000 ] - [ 0.0007369500000000, 0.0003891500000000, -0.0001375000000000 ] - [ -0.0004951600000000, -0.0000345700000000, -0.0005228100000000 ] - [ -0.0017341700000000, -0.0029142800000000, -0.0027535600000000 ] - [ -0.0027531800000000, -0.0031267000000000, 0.0002913900000000 ] - [ -0.0000182600000000, 0.0017765700000000, 0.0007882100000000 ] - [ -0.0002270400000000, 0.0012776500000000, 0.0006638300000000 ] - [ -0.0004126700000000, 0.0024230300000000, 0.0027693200000000 ] - [ 0.0001499300000000, 0.0008758500000000, 0.0010144600000000 ] - [ -0.0002869000000000, 0.0011237200000000, -0.0023896300000000 ] - [ -0.0000200300000000, 0.0000957100000000, -0.0002580600000000 ] - [ -0.0000203800000000, 0.0020463000000000, 0.0002084800000000 ] - [ -0.0000960200000000, 0.0014087000000000, -0.0000410300000000 ] - [ -0.0002620300000000, 0.0423218900000000, 0.0399071400000000 ] - [ 0.0004692000000000, -0.0013339300000000, 0.0017640400000000 ] - [ -0.0384315900000000, 0.0320630200000000, -0.0092064100000000 ] - [ 0.0024252300000000, -0.0018049600000000, -0.0018224000000000 ] - [ 0.0001232000000000, 0.0018422400000000, -0.0004094500000000 ] - [ -0.0006473400000000, 0.0017874300000000, -0.0003203200000000 ] - [ -0.0000748800000000, 0.0016981900000000, 0.0000932900000000 ] - [ 0.0003203000000000, 0.0012784600000000, 0.0003784900000000 ] - [ 0.0038087500000000, -0.0025329900000000, 0.0032593100000000 ] - [ 0.0017691800000000, -0.0029709900000000, 0.0006384400000000 ] - [ -0.0080983600000000, -0.0030461900000000, 0.0122050600000000 ] - [ 0.0010682000000000, -0.0022852300000000, 0.0007456200000000 ] - [ -0.0006582200000000, 0.0019187300000000, -0.0004919500000000 ] - [ -0.0009367300000000, 0.0017299700000000, -0.0003180900000000 ] - [ 0.0045443000000000, 0.0125969300000000, -0.0100201000000000 ] - [ -0.0014988900000000, -0.0023392800000000, -0.0015654200000000 ] - [ 0.0000026700000000, 0.0031625600000000, 0.0010420900000000 ] - [ 0.0005549300000000, 0.0019729100000000, 0.0011277900000000 ] - [ 0.0139735900000000, 0.0467420200000000, 0.0294194200000000 ] - [ -0.0019200300000000, -0.0012010900000000, 0.0002355600000000 ] - [ -0.0007313500000000, 0.0039921600000000, -0.0018396400000000 ] - [ 0.0002264800000000, 0.0017233000000000, -0.0010443900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007003700000000, 0.0034809300000000, -0.0000796100000000 ] - [ -0.0001161700000000, 0.0026832400000000, -0.0003588600000000 ] - [ -0.0014523500000000, -0.0052426200000000, 0.0008595800000000 ] - [ 0.0016304000000000, -0.0042529100000000, 0.0011951500000000 ] - [ -0.0002053200000000, -0.0135294700000000, 0.0022071600000000 ] - [ -0.0014959600000000, -0.0285781600000000, -0.0008106600000000 ] - [ -0.0002473400000000, 0.0055141600000000, 0.0001402900000000 ] - [ -0.0006202600000000, 0.0060356500000000, 0.0001038900000000 ] - [ 0.0082195600000000, 0.0102462900000000, -0.0042099300000000 ] - [ -0.0052028500000000, 0.0070326800000000, 0.0009087200000000 ] - [ -0.0103968600000000, 0.0099236200000000, 0.0012064300000000 ] - [ 0.0054761000000000, 0.0069807800000000, -0.0004075600000000 ] - [ -0.0035466600000000, -0.0014982300000000, 0.0038214600000000 ] - [ 0.0059849800000000, -0.0047813800000000, 0.0125331400000000 ] - [ 0.0007693900000000, 0.0029425200000000, -0.0013937500000000 ] - [ -0.0014219400000000, 0.0031795300000000, -0.0019521400000000 ] - [ -0.0006272800000000, 0.0001004700000000, 0.0006332300000000 ] - [ 0.0009451800000000, -0.0001338800000000, 0.0002911500000000 ] - [ 0.0013375300000000, 0.0022473900000000, -0.0002453700000000 ] - [ -0.0001055500000000, 0.0006154300000000, -0.0003786200000000 ] - [ -0.0018368200000000, 0.0015664800000000, -0.0078849400000000 ] - [ -0.0001102600000000, -0.0018269100000000, -0.0019089500000000 ] - [ 0.0001810600000000, 0.0034413800000000, 0.0007246000000000 ] - [ -0.0000842600000000, 0.0016812700000000, 0.0007614400000000 ] - [ 0.0010356600000000, -0.0069373700000000, 0.0029164500000000 ] - [ 0.0000403500000000, -0.0030236500000000, 0.0007878200000000 ] - [ -0.0000759200000000, 0.0026223800000000, -0.0001640900000000 ] - [ 0.0000282900000000, 0.0023483300000000, -0.0001569900000000 ] - [ -0.0015687500000000, 0.0033755800000000, 0.0012734600000000 ] - [ 0.0006604000000000, 0.0022749800000000, 0.0010934900000000 ] - [ 0.0079836900000000, -0.0005107100000000, -0.0124304600000000 ] - [ -0.0006832300000000, -0.0013796100000000, -0.0019260700000000 ] - [ -0.0000827100000000, 0.0031487300000000, -0.0008859100000000 ] - [ 0.0005033600000000, 0.0022753300000000, -0.0004656300000000 ] - [ -0.0330709200000000, -0.1130657400000000, -0.0133121700000000 ] - [ -0.0019069800000000, -0.0032897900000000, -0.0010618100000000 ] - [ 0.0279089400000000, -0.0927447900000000, -0.0270285800000000 ] - [ 0.0014436700000000, -0.0036675900000000, -0.0005764700000000 ] - [ 0.0008454800000000, 0.0033248600000000, 0.0006660200000000 ] - [ 0.0001222600000000, 0.0022720400000000, 0.0003256600000000 ] - [ -0.0004414400000000, 0.0027308600000000, -0.0013142200000000 ] - [ -0.0001834000000000, 0.0015555500000000, -0.0009546200000000 ] - [ 0.0101895300000000, 0.0005225600000000, 0.0090409200000000 ] - [ 0.0000987900000000, -0.0010789300000000, 0.0018399100000000 ] - [ 0.0016195400000000, -0.0033594300000000, -0.0001831500000000 ] - [ 0.0007145900000000, -0.0014294100000000, 0.0012004100000000 ] - [ 0.0001088100000000, 0.0021797700000000, 0.0002308500000000 ] - [ 0.0000609300000000, 0.0016729400000000, 0.0002376200000000 ] - [ -0.0071781400000000, 0.4113100100000000, 0.0858047700000000 ] - [ -0.0004724000000000, 0.0039489300000000, 0.0010087900000000 ] - [ -0.0002015500000000, -0.0029703200000000, -0.0004906100000000 ] - [ -0.0001228000000000, -0.0022238700000000, -0.0003795400000000 ] - [ 0.0013529900000000, -0.0008495500000000, -0.0007758800000000 ] - [ -0.0022265400000000, -0.0015285800000000, -0.0012111300000000 ] - [ -0.0030042000000000, -0.0027479200000000, 0.0026155800000000 ] - [ 0.0022888000000000, -0.0004453800000000, 0.0025228700000000 ] - [ 0.0004614200000000, 0.0012178000000000, -0.0008379600000000 ] - [ 0.0003934100000000, 0.0009896300000000, -0.0009426900000000 ] - [ -0.0002862600000000, -0.0019661900000000, 0.0004238800000000 ] - [ -0.0003609000000000, -0.0011130400000000, 0.0003584000000000 ] - [ 0.0002488100000000, 0.0028972500000000, -0.0014079200000000 ] - [ -0.0003976800000000, 0.0025143500000000, -0.0011488800000000 ] - [ -0.0000707300000000, -0.0012938700000000, -0.0004405500000000 ] - [ -0.0000057800000000, -0.0012243100000000, -0.0003478900000000 ] - [ -0.0017025100000000, 0.0027980100000000, -0.0015042700000000 ] - [ -0.0016522400000000, 0.0014162000000000, -0.0010161300000000 ] - [ -0.0001591700000000, -0.0015309500000000, -0.0004560400000000 ] - [ -0.0002780900000000, -0.0012080500000000, -0.0004423200000000 ] - [ -0.0001855400000000, 0.0044060200000000, -0.0008190200000000 ] - [ 0.0000952700000000, 0.0027796700000000, -0.0006761400000000 ] - [ 0.0001077000000000, -0.0019139100000000, 0.0007122500000000 ] - [ 0.0000227500000000, -0.0016785900000000, 0.0006290900000000 ] - [ 0.0003715100000000, -0.0010482700000000, 0.0000418700000000 ] - [ 0.0001275200000000, -0.0005805300000000, -0.0000540300000000 ] - [ 0.0004182600000000, -0.0006192900000000, -0.0048356800000000 ] - [ 0.0004799100000000, 0.0004810300000000, -0.0005831600000000 ] - [ 0.0003611800000000, -0.0024241400000000, -0.0007307200000000 ] - [ -0.0000345000000000, -0.0022002400000000, -0.0006283500000000 ] - [ -0.0010320200000000, 0.0043214300000000, 0.0023174100000000 ] - [ 0.0003961300000000, 0.0020688400000000, 0.0007608600000000 ] - [ 0.0000892500000000, -0.0028281000000000, 0.0018931900000000 ] - [ -0.0016211200000000, -0.0002923000000000, 0.0013369700000000 ] - [ -0.0018647600000000, -0.0028359300000000, -0.0004145500000000 ] - [ 0.0015588300000000, -0.0003098900000000, -0.0014698800000000 ] - [ 0.0017551500000000, -0.0033993800000000, 0.0003397100000000 ] - [ 0.0013982500000000, -0.0016574100000000, -0.0005550000000000 ] - [ -0.0020890800000000, -0.0463032800000000, 0.0203439700000000 ] - [ -0.0000316600000000, 0.0004954500000000, 0.0007153200000000 ] - [ 0.0000464000000000, -0.0025712100000000, 0.0004673900000000 ] - [ -0.0006519200000000, -0.0030120800000000, 0.0005243900000000 ] - [ -0.0279857900000000, -0.0095004300000000, -0.0054022000000000 ] - [ 0.0082028200000000, 0.0006468000000000, -0.0015109400000000 ] - [ 0.0004123200000000, -0.0004325300000000, -0.0005272500000000 ] - [ -0.0010173700000000, -0.0012255800000000, -0.0011752600000000 ] - [ -0.0010057900000000, -0.0000195400000000, -0.0002595800000000 ] - [ 0.0002199900000000, 0.0003959500000000, 0.0001205500000000 ] - [ 0.0006058400000000, 0.0026715200000000, 0.0030023800000000 ] - [ 0.0017010300000000, 0.0029295200000000, -0.0000414800000000 ] - [ -0.0010951100000000, -0.0020343400000000, -0.0005224300000000 ] - [ -0.0008884700000000, -0.0015394500000000, -0.0003978200000000 ] - [ 0.0003305000000000, -0.0019755600000000, -0.0020227000000000 ] - [ -0.0002348200000000, -0.0004230600000000, -0.0002627600000000 ] - [ 0.0001986100000000, -0.0006717600000000, 0.0031186900000000 ] - [ -0.0000622400000000, 0.0003489000000000, 0.0010110900000000 ] - [ -0.0000618700000000, -0.0024943800000000, 0.0005460300000000 ] - [ 0.0000137600000000, -0.0018556700000000, 0.0007987300000000 ] - [ 0.0001850700000000, -0.0419599500000000, -0.0382889700000000 ] - [ -0.0005417100000000, 0.0008794900000000, -0.0010069800000000 ] - [ 0.0391144900000000, -0.0328013700000000, 0.0085613700000000 ] - [ -0.0023323500000000, 0.0013725100000000, 0.0010826200000000 ] - [ -0.0000365500000000, -0.0022891300000000, -0.0003444200000000 ] - [ 0.0007267000000000, -0.0022352500000000, -0.0004322500000000 ] - [ 0.0016164200000000, -0.0017558200000000, 0.0006500200000000 ] - [ 0.0012203100000000, -0.0013354200000000, 0.0003639200000000 ] - [ -0.0022536500000000, 0.0024594400000000, -0.0025088100000000 ] - [ -0.0002009100000000, 0.0028344100000000, 0.0000637200000000 ] - [ 0.0069625000000000, 0.0034051300000000, -0.0119250200000000 ] - [ -0.0021811200000000, 0.0025513900000000, -0.0004722300000000 ] - [ -0.0004570500000000, -0.0016549100000000, 0.0007555200000000 ] - [ -0.0001794500000000, -0.0014676300000000, 0.0005830900000000 ] - [ -0.0043371500000000, -0.0131918500000000, 0.0106312600000000 ] - [ 0.0017983900000000, 0.0019753700000000, 0.0019758600000000 ] - [ 0.0002693800000000, -0.0035267700000000, -0.0006443600000000 ] - [ -0.0002809300000000, -0.0023463300000000, -0.0007303800000000 ] - [ -0.0156970600000000, -0.0475760900000000, -0.0307579400000000 ] - [ 0.0003847800000000, 0.0011491600000000, -0.0009798100000000 ] - [ -0.0008145300000000, -0.0040340200000000, 0.0010896000000000 ] - [ -0.0017686100000000, -0.0017859300000000, 0.0003025000000000 ]- atom: 49 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ 0.0001904900000000, -0.0015246600000000, -0.0011363200000000 ] - [ 0.0004501300000000, -0.0015586800000000, -0.0009568900000000 ] - [ -0.0008136700000000, 0.0008491000000000, -0.0085744600000000 ] - [ 0.0014740600000000, 0.0008068800000000, -0.0043112600000000 ] - [ -0.0032135400000000, 0.0013084600000000, 0.0026876100000000 ] - [ -0.0135287700000000, 0.0054527200000000, 0.0292711600000000 ] - [ -0.0002445900000000, -0.0002966900000000, 0.0003878800000000 ] - [ -0.0001856900000000, -0.0004990600000000, 0.0004305300000000 ] - [ -0.0023467000000000, -0.0005443700000000, 0.0081757300000000 ] - [ 0.0011027000000000, 0.0000950000000000, 0.0021542200000000 ] - [ -0.0008651200000000, -0.0020346800000000, 0.0065605400000000 ] - [ 0.0007839600000000, 0.0001006300000000, 0.0011109000000000 ] - [ 0.0065255600000000, -0.0048928600000000, -0.0041700400000000 ] - [ -0.0054419100000000, -0.0023384500000000, -0.0074717900000000 ] - [ 0.0000676100000000, -0.0007865500000000, -0.0000051100000000 ] - [ -0.0008368600000000, -0.0011014000000000, -0.0002101200000000 ] - [ -0.0000924300000000, 0.0001420500000000, -0.0014117500000000 ] - [ 0.0000202200000000, 0.0003615700000000, -0.0010087100000000 ] - [ -0.0003303600000000, -0.0008853300000000, -0.0019185300000000 ] - [ 0.0002524000000000, -0.0003750800000000, -0.0007512800000000 ] - [ -0.0048050200000000, 0.0022287100000000, 0.0032500400000000 ] - [ 0.0014314300000000, 0.0024925800000000, 0.0028512400000000 ] - [ -0.0002991800000000, -0.0016741400000000, 0.0004023300000000 ] - [ 0.0000804100000000, -0.0010828200000000, 0.0001740800000000 ] - [ -0.0003276900000000, 0.0057276600000000, -0.0095876200000000 ] - [ 0.0003669200000000, 0.0009274200000000, -0.0008278400000000 ] - [ -0.0001633600000000, -0.0004637700000000, 0.0000771700000000 ] - [ -0.0001108600000000, -0.0003969800000000, 0.0001606100000000 ] - [ 0.0000623000000000, -0.0016006500000000, -0.0007354800000000 ] - [ -0.0003868800000000, -0.0006710000000000, -0.0000675800000000 ] - [ 0.0016039700000000, 0.0026226800000000, -0.0030434300000000 ] - [ -0.0003941700000000, 0.0004309500000000, 0.0005655900000000 ] - [ 0.0002601600000000, -0.0008469700000000, 0.0007635900000000 ] - [ 0.0000788400000000, -0.0005201500000000, 0.0001735800000000 ] - [ -0.0017447600000000, 0.0233456700000000, 0.0451235600000000 ] - [ 0.0026905800000000, 0.0006238100000000, 0.0006367500000000 ] - [ -0.0176088100000000, 0.0093465400000000, 0.0460386100000000 ] - [ 0.0007819500000000, 0.0004141100000000, 0.0027495800000000 ] - [ 0.0005302800000000, -0.0002001600000000, 0.0005869200000000 ] - [ 0.0003752800000000, -0.0004725600000000, 0.0004546700000000 ] - [ -0.0002833500000000, 0.0002953700000000, -0.0005749300000000 ] - [ 0.0001525100000000, 0.0003396600000000, -0.0006609500000000 ] - [ -0.0082469400000000, -0.0018217700000000, -0.0061329900000000 ] - [ 0.0024619500000000, -0.0019185900000000, 0.0006029300000000 ] - [ -0.0017101100000000, 0.0021989700000000, -0.0054924100000000 ] - [ 0.0023092100000000, -0.0000906300000000, -0.0040513100000000 ] - [ 0.0002219400000000, -0.0003168800000000, -0.0000983800000000 ] - [ 0.0003280700000000, -0.0002667500000000, -0.0000503500000000 ] - [ 0.0626205300000000, -0.0833582400000000, -0.1597512300000000 ] - [ -0.0005397700000000, -0.0008522500000000, -0.0010651200000000 ] - [ -0.0000250100000000, 0.0006423100000000, -0.0003377700000000 ] - [ -0.0000707600000000, 0.0005324200000000, -0.0000721800000000 ] - [ 0.0002151300000000, 0.0014397900000000, -0.0007501800000000 ] - [ 0.0020036700000000, 0.0011527700000000, -0.0002381100000000 ] - [ -0.0007697400000000, -0.0008678000000000, 0.0002097800000000 ] - [ 0.0007760300000000, 0.0000171000000000, -0.0004245000000000 ] - [ -0.0003534500000000, -0.0010026400000000, 0.0024252400000000 ] - [ -0.0016309200000000, -0.0011000200000000, 0.0024889400000000 ] - [ -0.0001227400000000, 0.0002710900000000, 0.0003861800000000 ] - [ -0.0002094000000000, 0.0002080900000000, 0.0001649600000000 ] - [ 0.0002557300000000, -0.0008755700000000, 0.0043895800000000 ] - [ 0.0001655600000000, -0.0004571000000000, 0.0017389000000000 ] - [ 0.0001126600000000, 0.0005589100000000, -0.0001710500000000 ] - [ 0.0000879200000000, 0.0005254000000000, -0.0002081700000000 ] - [ 0.0014485400000000, -0.0002366100000000, 0.0069258600000000 ] - [ -0.0015796500000000, 0.0003615100000000, 0.0007123800000000 ] - [ -0.0008680100000000, 0.0003407600000000, -0.0001619600000000 ] - [ -0.0008976400000000, 0.0003281100000000, -0.0002021700000000 ] - [ 0.0029056400000000, -0.0020982300000000, 0.0086914500000000 ] - [ -0.0008478600000000, -0.0010844300000000, 0.0010684900000000 ] - [ 0.0001918000000000, 0.0006053200000000, 0.0002303300000000 ] - [ 0.0000953400000000, 0.0005199900000000, 0.0001445800000000 ] - [ 0.0006633700000000, 0.0002162000000000, 0.0006602800000000 ] - [ 0.0005473300000000, 0.0002644600000000, 0.0003673700000000 ] - [ 0.0011109300000000, 0.0014046100000000, 0.0036398100000000 ] - [ -0.0004391100000000, 0.0005676400000000, 0.0008659100000000 ] - [ -0.0000345600000000, 0.0005754600000000, 0.0003367400000000 ] - [ -0.0000052400000000, 0.0004685900000000, 0.0001625500000000 ] - [ -0.0010731500000000, -0.0024810600000000, 0.0017572800000000 ] - [ 0.0000309900000000, -0.0009068500000000, 0.0002827500000000 ] - [ 0.0012080900000000, -0.0002274600000000, -0.0008329600000000 ] - [ 0.0001681100000000, -0.0013450100000000, -0.0006647600000000 ] - [ 0.0023795200000000, 0.0020505900000000, -0.0008192600000000 ] - [ -0.0003362900000000, 0.0015122400000000, -0.0006761300000000 ] - [ 0.0003654000000000, 0.0014557200000000, -0.0009466400000000 ] - [ 0.0006323500000000, 0.0002734400000000, -0.0006099300000000 ] - [ 0.0014187800000000, -0.0242166900000000, -0.0030347100000000 ] - [ 0.0000074200000000, 0.0002265500000000, -0.0009610400000000 ] - [ -0.0002923200000000, 0.0001682200000000, -0.0005592300000000 ] - [ -0.0000175500000000, 0.0002730900000000, -0.0003921700000000 ] - [ 0.0005363800000000, 0.0010271700000000, -0.0090064800000000 ] - [ -0.0041514900000000, 0.0025810100000000, -0.0043744900000000 ] - [ 0.0000725100000000, 0.0007880900000000, 0.0006237600000000 ] - [ 0.0003390000000000, 0.0008595200000000, 0.0007154400000000 ] - [ 0.0001327200000000, 0.0002124800000000, 0.0004368400000000 ] - [ -0.0001376700000000, 0.0005927300000000, 0.0002244200000000 ] - [ 0.0014799500000000, -0.0026179800000000, 0.0023057700000000 ] - [ -0.0069615400000000, -0.0056120600000000, 0.0034113500000000 ] - [ -0.0004269300000000, 0.0004088200000000, 0.0003856800000000 ] - [ -0.0005516400000000, 0.0003013600000000, 0.0003566900000000 ] - [ -0.0001835300000000, 0.0011696400000000, 0.0016634400000000 ] - [ -0.0005885100000000, 0.0010957000000000, 0.0006005100000000 ] - [ 0.0003489300000000, -0.0002610200000000, 0.0018834500000000 ] - [ -0.0002008700000000, 0.0001425500000000, 0.0005131900000000 ] - [ -0.0000016400000000, -0.0003371800000000, 0.0000627100000000 ] - [ -0.0001939700000000, -0.0002436400000000, 0.0002272400000000 ] - [ -0.0008006300000000, 0.0420992000000000, 0.0203140400000000 ] - [ -0.0012234300000000, -0.0002451900000000, -0.0000893000000000 ] - [ 0.0027592200000000, -0.0047779700000000, -0.0106501700000000 ] - [ -0.0009212400000000, -0.0017933300000000, -0.0034435200000000 ] - [ 0.0000031000000000, 0.0002346000000000, -0.0008891800000000 ] - [ -0.0000573900000000, 0.0002533600000000, -0.0005989000000000 ] - [ 0.0007729400000000, 0.0001226100000000, 0.0006065400000000 ] - [ 0.0007800100000000, 0.0000345200000000, 0.0006875700000000 ] - [ 0.0029667100000000, -0.0006343900000000, 0.0019337200000000 ] - [ -0.0018706700000000, 0.0050976400000000, 0.0048102800000000 ] - [ -0.0252200900000000, 0.0176039300000000, 0.0282561100000000 ] - [ 0.0006843500000000, -0.0003415100000000, 0.0001519900000000 ] - [ -0.0005970300000000, 0.0003311600000000, 0.0000093600000000 ] - [ -0.0005553800000000, 0.0004029900000000, -0.0000270400000000 ] - [ -0.0008414700000000, -0.0137032800000000, 0.0006785500000000 ] - [ -0.0012345500000000, -0.0011280100000000, -0.0010032000000000 ] - [ 0.0000850600000000, 0.0011663300000000, 0.0001156200000000 ] - [ 0.0000968200000000, 0.0003802200000000, 0.0002369600000000 ] - [ 0.0088101000000000, 0.0284665500000000, 0.0050857400000000 ] - [ -0.0019757200000000, 0.0001132200000000, -0.0021195300000000 ] - [ -0.0002058400000000, -0.0007144200000000, -0.0003446100000000 ] - [ -0.0008863400000000, 0.0001452500000000, -0.0006609100000000 ]- atom: 49 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ 0.0003898500000000, 0.0003450600000000, 0.0005770000000000 ] - [ 0.0001349100000000, 0.0003816100000000, 0.0003994300000000 ] - [ 0.0014086000000000, -0.0021073200000000, 0.0079897800000000 ] - [ -0.0008869300000000, -0.0020219200000000, 0.0037558300000000 ] - [ 0.0026596300000000, -0.0001671400000000, -0.0020419400000000 ] - [ 0.0113420700000000, -0.0042122900000000, -0.0272483500000000 ] - [ -0.0003379200000000, 0.0015001800000000, 0.0001758200000000 ] - [ -0.0003999300000000, 0.0017023200000000, 0.0001321800000000 ] - [ 0.0029234000000000, 0.0017474400000000, -0.0087254400000000 ] - [ -0.0004821000000000, 0.0010726400000000, -0.0027300300000000 ] - [ 0.0013971100000000, 0.0032675800000000, -0.0070682300000000 ] - [ -0.0001619900000000, 0.0011516400000000, -0.0016622700000000 ] - [ -0.0071140000000000, 0.0037200800000000, 0.0047134600000000 ] - [ 0.0048569100000000, 0.0011702400000000, 0.0080009500000000 ] - [ -0.0006437000000000, -0.0003965100000000, 0.0005447200000000 ] - [ 0.0002453300000000, -0.0000874400000000, 0.0007497900000000 ] - [ 0.0003149500000000, 0.0001274700000000, 0.0010662200000000 ] - [ 0.0001990000000000, -0.0000929600000000, 0.0006622600000000 ] - [ 0.0005502500000000, 0.0011372300000000, 0.0015612100000000 ] - [ -0.0000266600000000, 0.0006251300000000, 0.0004016800000000 ] - [ 0.0045650600000000, -0.0025006000000000, -0.0028279400000000 ] - [ -0.0016250800000000, -0.0027142900000000, -0.0024691900000000 ] - [ 0.0000732800000000, 0.0014266000000000, -0.0000518700000000 ] - [ -0.0002933600000000, 0.0008274300000000, 0.0001750300000000 ] - [ 0.0000756200000000, -0.0054960300000000, 0.0099448200000000 ] - [ -0.0005816600000000, -0.0006792500000000, 0.0011630600000000 ] - [ -0.0000581100000000, 0.0007247100000000, 0.0002653800000000 ] - [ -0.0001084000000000, 0.0006582300000000, 0.0001826500000000 ] - [ -0.0005631100000000, 0.0018070600000000, 0.0003805000000000 ] - [ -0.0001099500000000, 0.0008837900000000, -0.0002911100000000 ] - [ -0.0020470200000000, -0.0024442800000000, 0.0025918800000000 ] - [ -0.0000991200000000, -0.0002394500000000, -0.0009345700000000 ] - [ -0.0000431100000000, 0.0005981700000000, -0.0011091200000000 ] - [ 0.0001457300000000, 0.0002706900000000, -0.0005176000000000 ] - [ 0.0017647400000000, -0.0238973400000000, -0.0456575200000000 ] - [ -0.0024645300000000, -0.0008967800000000, -0.0009859200000000 ] - [ 0.0190124700000000, -0.0115312100000000, -0.0460494300000000 ] - [ -0.0002710000000000, -0.0006294600000000, -0.0023972500000000 ] - [ -0.0000292000000000, 0.0000072900000000, -0.0002327700000000 ] - [ 0.0001284300000000, 0.0002755900000000, -0.0001009500000000 ] - [ -0.0002202700000000, -0.0005000500000000, 0.0002260300000000 ] - [ -0.0006470100000000, -0.0005314300000000, 0.0003097000000000 ] - [ 0.0077390000000000, 0.0016250400000000, 0.0058138500000000 ] - [ -0.0029301500000000, 0.0016926200000000, -0.0009289400000000 ] - [ 0.0021905100000000, -0.0019704000000000, 0.0058249800000000 ] - [ -0.0017762700000000, 0.0002738000000000, 0.0043722900000000 ] - [ 0.0002738600000000, 0.0005233800000000, 0.0004514300000000 ] - [ 0.0001704300000000, 0.0004717300000000, 0.0004035700000000 ] - [ -0.0617745200000000, 0.0859219800000000, 0.1587225500000000 ] - [ 0.0003415900000000, 0.0011620400000000, 0.0010811500000000 ] - [ -0.0001552500000000, -0.0003500200000000, 0.0003491000000000 ] - [ -0.0001119500000000, -0.0002388400000000, 0.0000852000000000 ] - [ 0.0013257200000000, -0.0013799800000000, 0.0015068000000000 ] - [ -0.0004647100000000, -0.0010972900000000, 0.0009806700000000 ] - [ 0.0022857200000000, 0.0009096200000000, 0.0005550100000000 ] - [ 0.0007732400000000, 0.0000436600000000, 0.0011724900000000 ] - [ 0.0001733000000000, 0.0006883100000000, -0.0024060000000000 ] - [ 0.0014439800000000, 0.0007975500000000, -0.0024695900000000 ] - [ -0.0000601400000000, -0.0005708200000000, -0.0003690900000000 ] - [ 0.0000228800000000, -0.0005045600000000, -0.0001497800000000 ] - [ -0.0001592400000000, 0.0013311000000000, -0.0051367900000000 ] - [ -0.0000890800000000, 0.0009104300000000, -0.0024825800000000 ] - [ -0.0000269600000000, -0.0001126200000000, -0.0005834900000000 ] - [ -0.0000015600000000, -0.0000792300000000, -0.0005448100000000 ] - [ -0.0029746300000000, 0.0003036600000000, -0.0076213200000000 ] - [ 0.0000137100000000, -0.0002879200000000, -0.0014673300000000 ] - [ -0.0006733900000000, -0.0002823600000000, -0.0005822900000000 ] - [ -0.0006460700000000, -0.0002697800000000, -0.0005438200000000 ] - [ -0.0026532400000000, 0.0024832600000000, -0.0084259000000000 ] - [ 0.0011190200000000, 0.0014668100000000, -0.0006723400000000 ] - [ 0.0000795800000000, -0.0002380700000000, 0.0001684000000000 ] - [ 0.0001748600000000, -0.0001529400000000, 0.0002536000000000 ] - [ 0.0004527400000000, 0.0000383400000000, -0.0009283000000000 ] - [ 0.0005638900000000, -0.0000116400000000, -0.0006337900000000 ] - [ 0.0000130200000000, -0.0011349600000000, -0.0039027300000000 ] - [ 0.0015456100000000, -0.0003031300000000, -0.0011288400000000 ] - [ 0.0002153500000000, -0.0008792900000000, -0.0003503600000000 ] - [ 0.0001906300000000, -0.0007733500000000, -0.0001750600000000 ] - [ 0.0012534500000000, 0.0022056500000000, -0.0017513700000000 ] - [ 0.0001442800000000, 0.0006214900000000, -0.0002833300000000 ] - [ -0.0010138800000000, 0.0005371300000000, 0.0008020600000000 ] - [ 0.0000120700000000, 0.0016292200000000, 0.0006493500000000 ] - [ -0.0021841200000000, -0.0017555700000000, 0.0007893500000000 ] - [ 0.0005222200000000, -0.0012075300000000, 0.0006493300000000 ] - [ 0.0007517600000000, -0.0017184200000000, 0.0006816200000000 ] - [ 0.0004739600000000, -0.0005346400000000, 0.0003532300000000 ] - [ -0.0003701500000000, 0.0238009000000000, 0.0029940500000000 ] - [ 0.0010924200000000, -0.0004814100000000, 0.0007049700000000 ] - [ 0.0000226500000000, -0.0005416400000000, 0.0001646600000000 ] - [ -0.0002555600000000, -0.0006528200000000, -0.0000033100000000 ] - [ -0.0010453200000000, -0.0015624900000000, 0.0085626100000000 ] - [ 0.0039445300000000, -0.0029589200000000, 0.0039286900000000 ] - [ -0.0003433600000000, -0.0004264100000000, -0.0010214400000000 ] - [ -0.0006080500000000, -0.0004962100000000, -0.0011108600000000 ] - [ -0.0004049300000000, 0.0001653400000000, -0.0008278900000000 ] - [ -0.0001353800000000, -0.0002063400000000, -0.0006134600000000 ] - [ -0.0025523400000000, 0.0023149600000000, -0.0020111400000000 ] - [ 0.0057568300000000, 0.0052627100000000, -0.0031003100000000 ] - [ -0.0006864000000000, -0.0006723100000000, -0.0001247100000000 ] - [ -0.0005635200000000, -0.0005638000000000, -0.0000943600000000 ] - [ 0.0000991300000000, -0.0007229600000000, -0.0009013200000000 ] - [ 0.0005077600000000, -0.0006604600000000, 0.0001573700000000 ] - [ -0.0004282200000000, 0.0007111100000000, -0.0010986900000000 ] - [ 0.0001117200000000, 0.0003110700000000, 0.0002476800000000 ] - [ -0.0000801700000000, -0.0001158800000000, 0.0006908600000000 ] - [ 0.0001029700000000, -0.0002088600000000, 0.0005233100000000 ] - [ 0.0006575600000000, -0.0418996900000000, -0.0193257700000000 ] - [ 0.0011219900000000, -0.0002017000000000, 0.0008231100000000 ] - [ -0.0028711200000000, 0.0046068200000000, 0.0098564100000000 ] - [ 0.0009967500000000, 0.0013373500000000, 0.0026677400000000 ] - [ 0.0000851400000000, -0.0006903800000000, 0.0001316400000000 ] - [ 0.0001429700000000, -0.0007062300000000, -0.0001560700000000 ] - [ 0.0007710800000000, -0.0001869800000000, 0.0001337300000000 ] - [ 0.0007654900000000, -0.0001014100000000, 0.0000543800000000 ] - [ -0.0014244500000000, 0.0005730700000000, -0.0012137200000000 ] - [ 0.0033835500000000, -0.0050937300000000, -0.0040389600000000 ] - [ 0.0245328600000000, -0.0176061800000000, -0.0283015400000000 ] - [ -0.0018068700000000, 0.0006019000000000, 0.0001182000000000 ] - [ -0.0005175400000000, -0.0000782200000000, 0.0002593700000000 ] - [ -0.0005579800000000, -0.0001481300000000, 0.0002948100000000 ] - [ 0.0011150800000000, 0.0132326300000000, -0.0003037000000000 ] - [ 0.0014782000000000, 0.0007535500000000, 0.0013858600000000 ] - [ 0.0001874900000000, -0.0015391700000000, 0.0002772700000000 ] - [ 0.0001673000000000, -0.0007610700000000, 0.0001515400000000 ] - [ -0.0103661000000000, -0.0286925400000000, -0.0057995300000000 ] - [ 0.0004270500000000, -0.0001789200000000, 0.0013899800000000 ] - [ -0.0013326000000000, 0.0006348500000000, -0.0003923800000000 ] - [ -0.0006648900000000, -0.0002173300000000, -0.0000751600000000 ]- atom: 53 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ -0.0058640800000000, -0.0045066900000000, -0.0044672900000000 ] - [ 0.0063808000000000, 0.0023843400000000, -0.0017103300000000 ] - [ -0.0004742400000000, -0.0011242000000000, -0.0003105600000000 ] - [ 0.0014451800000000, -0.0030441600000000, 0.0005108100000000 ] - [ 0.0022979100000000, -0.0019391300000000, -0.0003497600000000 ] - [ -0.0019074700000000, 0.0005301100000000, 0.0004495600000000 ] - [ 0.0016423900000000, 0.0017707600000000, -0.0005614800000000 ] - [ -0.0023507700000000, -0.0004743800000000, 0.0009492000000000 ] - [ -0.0120354500000000, 0.0062686200000000, 0.0075243100000000 ] - [ 0.0318821100000000, 0.0026472300000000, 0.0252815200000000 ] - [ -0.0002491900000000, -0.0006575400000000, -0.0001571400000000 ] - [ 0.0008106900000000, -0.0006664500000000, -0.0002047200000000 ] - [ 0.0212765500000000, 0.0116345600000000, -0.0042557100000000 ] - [ -0.0092782500000000, 0.0064987800000000, -0.0019475800000000 ] - [ 0.0008457900000000, -0.0021370900000000, 0.0002795200000000 ] - [ -0.0013281200000000, -0.0025158600000000, 0.0002771000000000 ] - [ 0.0069423100000000, 0.0035819600000000, -0.0093218300000000 ] - [ -0.0036677700000000, 0.0004537300000000, 0.0035594000000000 ] - [ 0.0003443500000000, -0.0006388100000000, -0.0002502600000000 ] - [ -0.0001090100000000, -0.0005588200000000, -0.0002041600000000 ] - [ 0.0016652800000000, -0.0001865300000000, 0.0003959000000000 ] - [ -0.0041872600000000, 0.0012305800000000, -0.0003175900000000 ] - [ 0.0000552700000000, -0.0008576700000000, 0.0002641400000000 ] - [ -0.0002701800000000, -0.0005799400000000, 0.0000595400000000 ] - [ 0.0004755600000000, 0.0003513500000000, -0.0011217900000000 ] - [ -0.0025886300000000, -0.0002801700000000, 0.0005702800000000 ] - [ -0.0018815200000000, -0.0052263100000000, 0.0000714700000000 ] - [ -0.0003128600000000, 0.0007185900000000, 0.0006802600000000 ] - [ 0.0805175000000000, 0.0384795200000000, 0.0151539100000000 ] - [ -0.0085038200000000, 0.0008171800000000, 0.0009761500000000 ] - [ -0.0001017800000000, -0.0004336400000000, -0.0002078200000000 ] - [ -0.0005283000000000, -0.0008140300000000, -0.0003007900000000 ] - [ 0.0085942400000000, -0.0090323100000000, 0.0096316000000000 ] - [ -0.0030489900000000, 0.0044678000000000, -0.0026154900000000 ] - [ 0.0005852200000000, -0.0000706400000000, -0.0000482900000000 ] - [ -0.0006834700000000, -0.0017836700000000, -0.0001787600000000 ] - [ 0.0038733200000000, 0.0049331800000000, 0.0031749300000000 ] - [ -0.0074620800000000, -0.0059306600000000, -0.0024825100000000 ] - [ 0.0007446900000000, -0.0017815400000000, 0.0001932300000000 ] - [ -0.0003506800000000, 0.0003480800000000, 0.0005882500000000 ] - [ 0.0028894200000000, 0.0019973800000000, -0.0009439700000000 ] - [ -0.0030783100000000, 0.0000377200000000, -0.0017658000000000 ] - [ 0.0001624100000000, -0.0007681000000000, -0.0000268200000000 ] - [ -0.0006383700000000, -0.0006376300000000, -0.0002363400000000 ] - [ 0.0020698900000000, 0.0022262700000000, -0.0002773400000000 ] - [ -0.0009900800000000, -0.0015722600000000, 0.0004314000000000 ] - [ 0.0000402600000000, -0.0007679200000000, -0.0004790000000000 ] - [ -0.0001626000000000, -0.0000707700000000, -0.0000362500000000 ] - [ -0.0007479000000000, -0.0004364500000000, -0.0005595700000000 ] - [ 0.0008142100000000, 0.0031493400000000, 0.0012571500000000 ] - [ -0.0006202700000000, 0.0039260300000000, -0.0015259300000000 ] - [ 0.0000686200000000, -0.0013777200000000, 0.0000098100000000 ] - [ -0.2230020800000000, -0.1082917000000000, -0.0540263300000000 ] - [ 0.0056985800000000, 0.0006421100000000, 0.0009824900000000 ] - [ 0.0007203300000000, 0.0005090400000000, 0.0002210900000000 ] - [ 0.0012133700000000, 0.0006378800000000, 0.0003242900000000 ] - [ -0.0010722100000000, -0.0031754300000000, 0.0021859300000000 ] - [ 0.0033248800000000, -0.0011343900000000, -0.0025765700000000 ] - [ -0.0000981000000000, 0.0006960800000000, 0.0000078800000000 ] - [ -0.0000483300000000, 0.0003008500000000, 0.0000145300000000 ] - [ -0.0021173700000000, 0.0007578500000000, -0.0009155700000000 ] - [ 0.0014325600000000, 0.0001806600000000, -0.0002099000000000 ] - [ -0.0004356100000000, 0.0022482100000000, 0.0012514100000000 ] - [ 0.0006692800000000, 0.0005899500000000, -0.0004362400000000 ] - [ -0.0007616700000000, -0.0004099000000000, -0.0001386700000000 ] - [ -0.0009339700000000, 0.0007680400000000, -0.0005574100000000 ] - [ -0.0007596400000000, 0.0006094800000000, 0.0000488000000000 ] - [ -0.0009338200000000, -0.0000144800000000, 0.0001645500000000 ] - [ -0.0002332900000000, -0.0006501400000000, 0.0005172100000000 ] - [ 0.0027885500000000, 0.0045688900000000, -0.0000165600000000 ] - [ 0.0013307300000000, 0.0020831300000000, 0.0005785800000000 ] - [ -0.0005274500000000, 0.0000986200000000, -0.0000707200000000 ] - [ -0.0013780800000000, -0.0000385900000000, 0.0031697000000000 ] - [ 0.0007888300000000, -0.0009783200000000, -0.0008047200000000 ] - [ 0.0005302600000000, 0.0005389400000000, 0.0000022000000000 ] - [ 0.0008165300000000, 0.0006345400000000, -0.0000633700000000 ] - [ -0.0049900200000000, 0.0148011800000000, 0.0095611100000000 ] - [ 0.0025281500000000, -0.0013041000000000, -0.0011806800000000 ] - [ -0.0004289200000000, -0.0001168300000000, 0.0005563700000000 ] - [ 0.0010008900000000, 0.0008507100000000, -0.0001069200000000 ] - [ -0.0045045800000000, -0.0007592000000000, 0.0021545100000000 ] - [ 0.0023282700000000, -0.0007378600000000, -0.0007712000000000 ] - [ -0.0000458100000000, 0.0007604400000000, -0.0001051800000000 ] - [ 0.0002725700000000, 0.0006414800000000, -0.0001293600000000 ] - [ 0.0357284500000000, 0.0274972100000000, -0.0246530600000000 ] - [ 0.0099417500000000, -0.0059767700000000, 0.0026361300000000 ] - [ 0.0004104000000000, 0.0001423000000000, -0.0002245300000000 ] - [ 0.0005136500000000, 0.0006530300000000, -0.0002309200000000 ] - [ -0.0064171400000000, -0.0022467200000000, -0.0012934200000000 ] - [ 0.0044995300000000, -0.0003401400000000, 0.0002583200000000 ] - [ -0.0007192700000000, 0.0003253700000000, -0.0005709200000000 ] - [ 0.0004998900000000, 0.0004145800000000, -0.0001600000000000 ] - [ -0.0074313100000000, -0.0024334800000000, -0.0005707100000000 ] - [ 0.0057440600000000, -0.0005067100000000, 0.0004402900000000 ] - [ -0.0003855000000000, 0.0009625700000000, -0.0000207600000000 ] - [ 0.0001145900000000, 0.0007686600000000, -0.0000063500000000 ] - [ -0.0015586300000000, -0.0004115100000000, 0.0005706300000000 ] - [ 0.0010060900000000, 0.0004221400000000, 0.0001994100000000 ] - [ -0.0008756800000000, 0.0001708300000000, 0.0006584400000000 ] - [ -0.0002168700000000, 0.0002139500000000, 0.0001736600000000 ] - [ 0.0257131300000000, 0.0071052500000000, 0.0260596800000000 ] - [ 0.0098879000000000, -0.0015578800000000, -0.0085560800000000 ] - [ -0.0001161700000000, 0.0006681100000000, 0.0003764600000000 ] - [ -0.0000484700000000, 0.0008846600000000, 0.0003190300000000 ] - [ -0.0009020800000000, 0.0001256400000000, -0.0025336000000000 ] - [ 0.0029226900000000, -0.0040105300000000, 0.0023797400000000 ] - [ -0.0000787700000000, -0.0000471700000000, 0.0002939100000000 ] - [ 0.0000334700000000, 0.0005842500000000, 0.0006187300000000 ] - [ -0.0047774000000000, -0.0015316000000000, -0.0020328200000000 ] - [ 0.0039463100000000, -0.0008985100000000, 0.0006298900000000 ] - [ -0.0005667900000000, 0.0004562000000000, -0.0007181800000000 ] - [ 0.0003843400000000, -0.0000585200000000, -0.0003263200000000 ] - [ -0.0002499200000000, 0.0000104400000000, 0.0007452500000000 ] - [ 0.0027122000000000, -0.0007985200000000, 0.0017538400000000 ] - [ 0.0002253700000000, 0.0005134200000000, 0.0002388700000000 ] - [ 0.0009428800000000, 0.0002179200000000, 0.0004948300000000 ] - [ -0.0040336500000000, -0.0043262800000000, 0.0012834100000000 ] - [ 0.0033317000000000, 0.0004919500000000, -0.0018655000000000 ] - [ -0.0011117200000000, 0.0018155900000000, -0.0003758900000000 ] - [ -0.0002184500000000, 0.0001486100000000, -0.0001790000000000 ] - [ -0.0007573600000000, -0.0011862200000000, -0.0007788900000000 ] - [ 0.0041415700000000, 0.0048668500000000, 0.0033891500000000 ] - [ 0.0002231700000000, 0.0005337200000000, 0.0002158600000000 ] - [ 0.0001277800000000, 0.0000227100000000, 0.0003180200000000 ] - [ 0.0078364100000000, -0.0065128700000000, -0.0020288500000000 ] - [ 0.0245832400000000, 0.0190080100000000, 0.0090770800000000 ] - [ -0.0003016600000000, 0.0008391000000000, -0.0004038900000000 ] - [ -0.0008790300000000, 0.0000912000000000, -0.0006568000000000 ]- atom: 53 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ 0.0064548400000000, 0.0033534800000000, 0.0039159600000000 ] - [ -0.0057734600000000, -0.0035918000000000, 0.0011254600000000 ] - [ 0.0010537700000000, -0.0000709600000000, -0.0002479600000000 ] - [ -0.0008574300000000, 0.0018492300000000, -0.0010712700000000 ] - [ -0.0028538700000000, 0.0031545100000000, 0.0009181300000000 ] - [ 0.0013131600000000, 0.0006546500000000, 0.0001071400000000 ] - [ -0.0022177400000000, -0.0005823000000000, 0.0011269900000000 ] - [ 0.0017670600000000, 0.0016812600000000, -0.0003949400000000 ] - [ 0.0126272500000000, -0.0050964100000000, -0.0081206200000000 ] - [ -0.0309761300000000, -0.0014831200000000, -0.0246499000000000 ] - [ 0.0008301200000000, 0.0018537400000000, -0.0003984500000000 ] - [ -0.0002236700000000, 0.0018644300000000, -0.0003514700000000 ] - [ -0.0215596000000000, -0.0121909700000000, 0.0042251200000000 ] - [ 0.0086987600000000, -0.0077362800000000, 0.0025253700000000 ] - [ -0.0014241500000000, 0.0009419100000000, 0.0002781300000000 ] - [ 0.0007425800000000, 0.0013259200000000, 0.0002796700000000 ] - [ -0.0067906000000000, -0.0033500400000000, 0.0090020000000000 ] - [ 0.0039057800000000, -0.0002085700000000, -0.0038962800000000 ] - [ -0.0001269100000000, 0.0008949100000000, -0.0000969100000000 ] - [ 0.0003308400000000, 0.0008143100000000, -0.0001418500000000 ] - [ -0.0019240400000000, -0.0001034200000000, -0.0000112200000000 ] - [ 0.0039917500000000, -0.0014906700000000, 0.0006546300000000 ] - [ -0.0002790300000000, 0.0006052700000000, 0.0000820400000000 ] - [ 0.0000530600000000, 0.0003273300000000, 0.0002875400000000 ] - [ -0.0007165000000000, -0.0000808100000000, 0.0014177800000000 ] - [ 0.0023763500000000, 0.0005239500000000, -0.0002162700000000 ] - [ 0.0016445600000000, 0.0054363700000000, 0.0002878600000000 ] - [ 0.0001007900000000, -0.0004562000000000, -0.0003353400000000 ] - [ -0.0854150400000000, -0.0429814800000000, -0.0175082100000000 ] - [ 0.0080105600000000, -0.0006044600000000, -0.0013212800000000 ] - [ -0.0004000300000000, 0.0006428100000000, -0.0001429100000000 ] - [ 0.0000325100000000, 0.0010165200000000, -0.0000526500000000 ] - [ -0.0084480200000000, 0.0087863600000000, -0.0099948000000000 ] - [ 0.0032875800000000, -0.0047081300000000, 0.0022587300000000 ] - [ -0.0003686800000000, -0.0001765100000000, -0.0002947800000000 ] - [ 0.0009037100000000, 0.0015217800000000, -0.0001677100000000 ] - [ -0.0034705000000000, -0.0051084200000000, -0.0028135400000000 ] - [ 0.0079630300000000, 0.0057150300000000, 0.0028255300000000 ] - [ -0.0002523600000000, 0.0015808200000000, 0.0001656300000000 ] - [ 0.0008532300000000, -0.0005494400000000, -0.0002350600000000 ] - [ -0.0034041900000000, -0.0022027600000000, 0.0005919300000000 ] - [ 0.0025885200000000, -0.0002377800000000, 0.0014130300000000 ] - [ -0.0006626800000000, 0.0005667300000000, -0.0003244200000000 ] - [ 0.0001423100000000, 0.0004350900000000, -0.0001156800000000 ] - [ -0.0015829600000000, -0.0020247600000000, 0.0006402400000000 ] - [ 0.0014955700000000, 0.0017733300000000, -0.0000735000000000 ] - [ 0.0004491900000000, 0.0009751500000000, 0.0008243600000000 ] - [ 0.0006670800000000, 0.0002754100000000, 0.0003889500000000 ] - [ 0.0005833000000000, 0.0007302600000000, 0.0005686800000000 ] - [ -0.0010056300000000, -0.0028347900000000, -0.0012300400000000 ] - [ 0.0004465300000000, -0.0036485800000000, 0.0015426900000000 ] - [ -0.0002554300000000, 0.0016715900000000, 0.0000051000000000 ] - [ 0.2285832200000000, 0.1128403800000000, 0.0560475300000000 ] - [ -0.0041606600000000, -0.0005847000000000, -0.0002418500000000 ] - [ 0.0008208100000000, -0.0004496300000000, 0.0005214300000000 ] - [ 0.0003298300000000, -0.0005765800000000, 0.0004178200000000 ] - [ 0.0009073100000000, 0.0028889500000000, -0.0021836700000000 ] - [ -0.0035095900000000, 0.0008356800000000, 0.0025959500000000 ] - [ -0.0000808800000000, -0.0009965600000000, 0.0000066900000000 ] - [ -0.0001355200000000, -0.0006003100000000, -0.0000005200000000 ] - [ 0.0021922400000000, -0.0003012200000000, 0.0001654700000000 ] - [ -0.0013532400000000, 0.0002744500000000, -0.0005499600000000 ] - [ 0.0005171500000000, -0.0017882400000000, -0.0019987800000000 ] - [ -0.0005880400000000, -0.0001477100000000, -0.0003161000000000 ] - [ -0.0007788200000000, 0.0004726100000000, -0.0006056300000000 ] - [ -0.0006137500000000, -0.0007055300000000, -0.0001925600000000 ] - [ -0.0007762000000000, -0.0005544200000000, -0.0007907700000000 ] - [ -0.0006122400000000, 0.0000760000000000, -0.0009086300000000 ] - [ 0.0005235000000000, 0.0010270700000000, -0.0001149100000000 ] - [ -0.0025140800000000, -0.0041951600000000, 0.0004163600000000 ] - [ -0.0010384400000000, -0.0017077000000000, -0.0001779000000000 ] - [ 0.0007925300000000, 0.0002745800000000, 0.0004664500000000 ] - [ 0.0025119600000000, 0.0002979700000000, -0.0034532800000000 ] - [ 0.0003172900000000, 0.0012365500000000, 0.0005389500000000 ] - [ 0.0005875100000000, -0.0002792300000000, -0.0002662900000000 ] - [ 0.0002970400000000, -0.0003767200000000, -0.0002002900000000 ] - [ 0.0053633400000000, -0.0149014400000000, -0.0095051500000000 ] - [ -0.0023479100000000, 0.0009990800000000, 0.0011681100000000 ] - [ 0.0006117300000000, -0.0001981800000000, -0.0005595600000000 ] - [ -0.0008185000000000, -0.0011433000000000, 0.0000934100000000 ] - [ 0.0046631900000000, 0.0010769700000000, -0.0021745300000000 ] - [ -0.0021563100000000, 0.0010391300000000, 0.0007691800000000 ] - [ 0.0002267100000000, -0.0004633200000000, 0.0000912400000000 ] - [ -0.0000897300000000, -0.0003446600000000, 0.0001170000000000 ] - [ -0.0351258400000000, -0.0283121900000000, 0.0247328700000000 ] - [ -0.0087440900000000, 0.0056525200000000, -0.0028426300000000 ] - [ 0.0007068700000000, -0.0004044100000000, -0.0000421500000000 ] - [ 0.0005989300000000, -0.0009122600000000, -0.0000341100000000 ] - [ 0.0061591900000000, 0.0019010200000000, 0.0008623700000000 ] - [ -0.0047747800000000, -0.0000452700000000, -0.0006445700000000 ] - [ 0.0004458200000000, -0.0007050100000000, 0.0001741500000000 ] - [ -0.0007688500000000, -0.0007856100000000, -0.0002361900000000 ] - [ 0.0071809400000000, 0.0027936100000000, 0.0002726500000000 ] - [ -0.0060290700000000, 0.0008834000000000, -0.0008466000000000 ] - [ 0.0001122800000000, -0.0005922300000000, -0.0003737400000000 ] - [ -0.0003856000000000, -0.0003982600000000, -0.0003895800000000 ] - [ 0.0004541000000000, 0.0001516400000000, -0.0003320400000000 ] - [ -0.0021244200000000, -0.0006792400000000, 0.0000678100000000 ] - [ -0.0002367900000000, -0.0004308700000000, -0.0003936100000000 ] - [ -0.0009003800000000, -0.0004765500000000, 0.0000917000000000 ] - [ -0.0261882200000000, -0.0067926100000000, -0.0257215100000000 ] - [ -0.0098457800000000, 0.0019943400000000, 0.0091804500000000 ] - [ 0.0000353800000000, -0.0002210000000000, 0.0003785000000000 ] - [ -0.0000372000000000, -0.0004358100000000, 0.0004359800000000 ] - [ 0.0008319300000000, -0.0005780600000000, 0.0033017700000000 ] - [ -0.0030033100000000, 0.0035640200000000, -0.0016288100000000 ] - [ -0.0000022800000000, -0.0004046200000000, 0.0004583100000000 ] - [ -0.0001213200000000, -0.0010338000000000, 0.0001370300000000 ] - [ 0.0048840200000000, 0.0009716400000000, 0.0011330300000000 ] - [ -0.0038618200000000, 0.0004574300000000, -0.0013657100000000 ] - [ 0.0006547000000000, -0.0009066600000000, -0.0000376900000000 ] - [ -0.0003011100000000, -0.0003934200000000, -0.0004281700000000 ] - [ 0.0017973200000000, -0.0000735900000000, -0.0000031500000000 ] - [ -0.0011738500000000, 0.0007375600000000, -0.0010164100000000 ] - [ 0.0013184200000000, -0.0005773500000000, 0.0005023300000000 ] - [ 0.0005994000000000, -0.0002790500000000, 0.0002478800000000 ] - [ 0.0029731800000000, 0.0044516500000000, -0.0009663000000000 ] - [ -0.0044504900000000, -0.0002182200000000, 0.0021184600000000 ] - [ -0.0000024000000000, -0.0015490300000000, 0.0006366900000000 ] - [ -0.0008960800000000, 0.0001085900000000, 0.0004442800000000 ] - [ 0.0010497600000000, 0.0008281300000000, 0.0011798200000000 ] - [ -0.0038712500000000, -0.0052753100000000, -0.0030086700000000 ] - [ 0.0000505400000000, -0.0009090500000000, 0.0001796000000000 ] - [ 0.0001423000000000, -0.0003956100000000, 0.0000781900000000 ] - [ -0.0095375800000000, 0.0065735000000000, 0.0013347500000000 ] - [ -0.0257044000000000, -0.0187068500000000, -0.0096351600000000 ] - [ -0.0012395100000000, -0.0009014800000000, -0.0003410800000000 ] - [ -0.0006652300000000, -0.0001539500000000, -0.0000876800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030633600000000, 0.0010477900000000, -0.0023504600000000 ] - [ 0.0070053700000000, 0.0036967300000000, -0.0073823900000000 ] - [ 0.0003940800000000, -0.0033003000000000, 0.0006812500000000 ] - [ 0.0002558500000000, -0.0051642600000000, 0.0021940400000000 ] - [ -0.0017417400000000, -0.0002958500000000, -0.0009275100000000 ] - [ 0.0000730900000000, 0.0003635700000000, -0.0000665300000000 ] - [ 0.0020177900000000, -0.0017881600000000, 0.0020784000000000 ] - [ -0.0018239900000000, -0.0009616900000000, 0.0015084000000000 ] - [ -0.0049806000000000, 0.0108269200000000, 0.0025789400000000 ] - [ 0.0034974600000000, 0.0286473300000000, -0.0029824100000000 ] - [ 0.0001226500000000, -0.0024035500000000, -0.0003269600000000 ] - [ 0.0003460100000000, -0.0027759100000000, -0.0004297300000000 ] - [ 0.0027982400000000, 0.0279473400000000, -0.0060430300000000 ] - [ -0.0007085100000000, 0.0050490900000000, 0.0019132600000000 ] - [ 0.0010972800000000, -0.0049930000000000, 0.0000514200000000 ] - [ -0.0013704100000000, -0.0042573300000000, 0.0000051000000000 ] - [ 0.0038570400000000, 0.0039609100000000, -0.0021787700000000 ] - [ -0.0016897200000000, 0.0048956700000000, -0.0000796400000000 ] - [ 0.0003202300000000, -0.0017909900000000, -0.0001279200000000 ] - [ 0.0000286000000000, -0.0014893700000000, -0.0002171600000000 ] - [ 0.0018815000000000, 0.0039767000000000, -0.0021255600000000 ] - [ 0.0004347100000000, 0.0014267400000000, -0.0000510700000000 ] - [ -0.0002217500000000, -0.0019176300000000, 0.0002743000000000 ] - [ 0.0000700500000000, -0.0013836300000000, 0.0001871700000000 ] - [ 0.0034132700000000, -0.0043641100000000, 0.0059677000000000 ] - [ -0.0033931000000000, -0.0006245600000000, 0.0000992300000000 ] - [ -0.0047330500000000, -0.0109642900000000, 0.0021853700000000 ] - [ 0.0008113100000000, 0.0002669900000000, 0.0002772000000000 ] - [ 0.0415558600000000, 0.0787137300000000, 0.0087209900000000 ] - [ -0.0006049600000000, 0.0026544100000000, -0.0024091300000000 ] - [ 0.0002679000000000, -0.0025750400000000, -0.0010113400000000 ] - [ -0.0004514500000000, -0.0017348500000000, -0.0006550400000000 ] - [ 0.0000840600000000, -0.0060229100000000, 0.0065391000000000 ] - [ -0.0004413800000000, -0.0005040000000000, 0.0009964800000000 ] - [ 0.0004099700000000, -0.0018655900000000, -0.0005365700000000 ] - [ -0.0003166600000000, -0.0015455700000000, -0.0001680700000000 ] - [ 0.0074335100000000, -0.0006412100000000, -0.0056112000000000 ] - [ -0.0038217600000000, -0.0039091200000000, -0.0025660600000000 ] - [ -0.0002943600000000, -0.0025409500000000, 0.0006922900000000 ] - [ 0.0003096500000000, -0.0012003200000000, 0.0001042800000000 ] - [ 0.0007661000000000, 0.0023512700000000, 0.0007636100000000 ] - [ -0.0007511100000000, 0.0009821700000000, 0.0000358200000000 ] - [ -0.0000438300000000, -0.0016528600000000, 0.0000937900000000 ] - [ -0.0004945200000000, -0.0013322000000000, 0.0001013700000000 ] - [ 0.0024010600000000, 0.0014666000000000, 0.0014799700000000 ] - [ -0.0011197700000000, -0.0018913000000000, 0.0020609500000000 ] - [ -0.0013256100000000, -0.0013406000000000, -0.0011000600000000 ] - [ 0.0004936900000000, -0.0009135400000000, 0.0002702900000000 ] - [ -0.0013417500000000, 0.0010252700000000, 0.0014052500000000 ] - [ 0.0005291100000000, 0.0017043300000000, 0.0011410600000000 ] - [ 0.0005153000000000, 0.0029436800000000, -0.0008781300000000 ] - [ -0.0005461000000000, 0.0006303300000000, -0.0000110600000000 ] - [ -0.1078908900000000, -0.2113699600000000, -0.0225378500000000 ] - [ 0.0013847200000000, -0.0022162200000000, 0.0014043300000000 ] - [ 0.0012517400000000, 0.0016732100000000, 0.0004002800000000 ] - [ 0.0013793900000000, 0.0012387700000000, 0.0003448600000000 ] - [ -0.0007786500000000, -0.0026512800000000, 0.0006027900000000 ] - [ 0.0057762400000000, -0.0030697300000000, -0.0050623600000000 ] - [ 0.0001741300000000, 0.0015791900000000, -0.0001459100000000 ] - [ -0.0003230000000000, 0.0011603000000000, -0.0000654600000000 ] - [ -0.0016832100000000, 0.0017293600000000, -0.0027969300000000 ] - [ 0.0012332400000000, 0.0005944700000000, -0.0007677700000000 ] - [ -0.0006281900000000, 0.0050668500000000, 0.0028334100000000 ] - [ 0.0000818000000000, 0.0005894500000000, -0.0001912200000000 ] - [ -0.0013542500000000, 0.0001450800000000, -0.0008845000000000 ] - [ -0.0007262600000000, 0.0004004000000000, -0.0012307800000000 ] - [ -0.0003340200000000, 0.0001499700000000, -0.0001540800000000 ] - [ -0.0015076800000000, 0.0004013700000000, -0.0004954100000000 ] - [ -0.0023558400000000, 0.0009198800000000, -0.0011459800000000 ] - [ 0.0035487200000000, 0.0063851000000000, -0.0001582400000000 ] - [ 0.0039254600000000, 0.0028049400000000, 0.0008089100000000 ] - [ -0.0012309600000000, 0.0011534700000000, 0.0002373400000000 ] - [ -0.0002812400000000, -0.0014656200000000, 0.0001239300000000 ] - [ -0.0000308200000000, -0.0022189700000000, -0.0007080100000000 ] - [ 0.0007714200000000, 0.0011825200000000, -0.0000310600000000 ] - [ 0.0010780300000000, 0.0012293400000000, -0.0001783100000000 ] - [ 0.0148479500000000, 0.0465935100000000, 0.0284227900000000 ] - [ 0.0007965600000000, -0.0013202900000000, 0.0001518100000000 ] - [ -0.0000290300000000, 0.0038824800000000, -0.0006888700000000 ] - [ 0.0009363600000000, 0.0016081200000000, 0.0001856400000000 ] - [ -0.0005843100000000, -0.0026189300000000, 0.0002389800000000 ] - [ 0.0005212200000000, -0.0012403400000000, -0.0003264900000000 ] - [ 0.0000547800000000, 0.0017129900000000, -0.0003188900000000 ] - [ 0.0001583200000000, 0.0013890400000000, -0.0003044000000000 ] - [ 0.0314968600000000, 0.0104645700000000, -0.0158386800000000 ] - [ -0.0032330500000000, -0.0005638100000000, -0.0018587500000000 ] - [ 0.0001065100000000, 0.0010681600000000, -0.0000114300000000 ] - [ 0.0004077600000000, 0.0009788300000000, -0.0000739400000000 ] - [ -0.0021004300000000, 0.0046740700000000, -0.0077700900000000 ] - [ 0.0007361500000000, -0.0000527500000000, -0.0010204000000000 ] - [ 0.0000032400000000, 0.0013593600000000, -0.0000333800000000 ] - [ 0.0001119600000000, 0.0008580400000000, -0.0002831200000000 ] - [ -0.0022964100000000, -0.0081862800000000, -0.0029472700000000 ] - [ 0.0015824900000000, -0.0021613400000000, -0.0001256200000000 ] - [ -0.0002625100000000, 0.0021929500000000, 0.0001346400000000 ] - [ 0.0000013400000000, 0.0016576900000000, 0.0002029900000000 ] - [ -0.0012675800000000, -0.0008399500000000, 0.0010864900000000 ] - [ -0.0004281400000000, -0.0004564900000000, -0.0011046100000000 ] - [ -0.0002704000000000, 0.0008356500000000, 0.0007305400000000 ] - [ -0.0003582400000000, 0.0005686500000000, 0.0002093600000000 ] - [ 0.0050677600000000, -0.0067834600000000, 0.0072543100000000 ] - [ 0.0007098200000000, -0.0050624300000000, 0.0018489300000000 ] - [ -0.0004225900000000, 0.0017277700000000, 0.0002506300000000 ] - [ -0.0000847900000000, 0.0016850300000000, 0.0003595800000000 ] - [ 0.0005116000000000, -0.0006469800000000, -0.0021902200000000 ] - [ 0.0006375200000000, -0.0021014100000000, 0.0001407200000000 ] - [ -0.0001644600000000, 0.0007450300000000, 0.0005095700000000 ] - [ 0.0001088000000000, 0.0008315100000000, 0.0004351600000000 ] - [ -0.0012822500000000, 0.0045911200000000, 0.0115638200000000 ] - [ 0.0017861700000000, -0.0013849200000000, 0.0013423000000000 ] - [ -0.0002522200000000, 0.0012917100000000, -0.0007837900000000 ] - [ -0.0000191300000000, 0.0006944300000000, -0.0004644400000000 ] - [ 0.0007276700000000, -0.0009110700000000, -0.0000837200000000 ] - [ 0.0015389700000000, -0.0007092000000000, 0.0003898500000000 ] - [ 0.0002267200000000, 0.0007725600000000, -0.0003172800000000 ] - [ 0.0005228500000000, 0.0005432400000000, 0.0001150500000000 ] - [ -0.0085248200000000, 0.0220191100000000, -0.0022937100000000 ] - [ 0.0013414200000000, 0.0002983600000000, -0.0006969800000000 ] - [ -0.0009503300000000, 0.0033823600000000, -0.0009247500000000 ] - [ -0.0006688000000000, 0.0006764100000000, 0.0000329000000000 ] - [ -0.0009521200000000, -0.0020561900000000, 0.0000084100000000 ] - [ -0.0008253400000000, -0.0045977900000000, -0.0011041200000000 ] - [ 0.0003451500000000, 0.0011356000000000, 0.0003900600000000 ] - [ -0.0000403500000000, 0.0011861600000000, 0.0005406700000000 ] - [ -0.0073247000000000, -0.0021966900000000, 0.0011005300000000 ] - [ 0.0182138500000000, 0.0081423400000000, 0.0106647700000000 ] - [ 0.0000981800000000, 0.0015235200000000, -0.0004768300000000 ] - [ -0.0006471900000000, 0.0009551300000000, -0.0006419300000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036484900000000, -0.0022657400000000, 0.0017870300000000 ] - [ -0.0064532300000000, -0.0049082600000000, 0.0068447000000000 ] - [ 0.0001938900000000, 0.0021012900000000, -0.0012313200000000 ] - [ 0.0003170200000000, 0.0039571400000000, -0.0027337900000000 ] - [ 0.0011525000000000, 0.0015268000000000, 0.0014969600000000 ] - [ -0.0006589900000000, 0.0008428600000000, 0.0006297600000000 ] - [ -0.0026174600000000, 0.0029648500000000, -0.0015137100000000 ] - [ 0.0012418300000000, 0.0021398600000000, -0.0009410500000000 ] - [ 0.0055431200000000, -0.0096305400000000, -0.0031266200000000 ] - [ -0.0031090500000000, -0.0272388100000000, 0.0020081800000000 ] - [ 0.0004626300000000, 0.0035923700000000, -0.0002338200000000 ] - [ 0.0002351500000000, 0.0039664600000000, -0.0001318100000000 ] - [ -0.0026035900000000, -0.0280605900000000, 0.0056295600000000 ] - [ 0.0001086800000000, -0.0062028100000000, -0.0013722100000000 ] - [ -0.0016901000000000, 0.0037975200000000, 0.0005018300000000 ] - [ 0.0007927700000000, 0.0030587500000000, 0.0005491300000000 ] - [ -0.0036285400000000, -0.0036967300000000, 0.0018146600000000 ] - [ 0.0018967200000000, -0.0045918900000000, -0.0002830100000000 ] - [ -0.0000996000000000, 0.0020439700000000, -0.0002163000000000 ] - [ 0.0001916500000000, 0.0017414600000000, -0.0001279700000000 ] - [ -0.0021182400000000, -0.0041948200000000, 0.0024930800000000 ] - [ -0.0006146900000000, -0.0016764000000000, 0.0004047800000000 ] - [ 0.0000031600000000, 0.0016620800000000, 0.0000727300000000 ] - [ -0.0002911600000000, 0.0011248300000000, 0.0001596100000000 ] - [ -0.0036043000000000, 0.0046035600000000, -0.0055607900000000 ] - [ 0.0031588700000000, 0.0008778500000000, 0.0002408800000000 ] - [ 0.0045226200000000, 0.0112119800000000, -0.0018824800000000 ] - [ -0.0010367500000000, -0.0000198000000000, 0.0000663300000000 ] - [ -0.0460238800000000, -0.0809798100000000, -0.0105055900000000 ] - [ 0.0001283600000000, -0.0024456900000000, 0.0020322300000000 ] - [ -0.0007590400000000, 0.0027656000000000, 0.0006498300000000 ] - [ -0.0000476200000000, 0.0019357000000000, 0.0002984600000000 ] - [ 0.0001647800000000, 0.0057399800000000, -0.0068644700000000 ] - [ 0.0006717900000000, 0.0002221600000000, -0.0013336400000000 ] - [ -0.0001883300000000, 0.0016139600000000, 0.0001846100000000 ] - [ 0.0005362800000000, 0.0012928200000000, -0.0001788300000000 ] - [ -0.0069263400000000, 0.0005137000000000, 0.0059040700000000 ] - [ 0.0043299800000000, 0.0036915100000000, 0.0029068100000000 ] - [ 0.0008006400000000, 0.0023298200000000, -0.0003500800000000 ] - [ 0.0001903200000000, 0.0009878400000000, 0.0002433200000000 ] - [ -0.0012661300000000, -0.0025858800000000, -0.0010981300000000 ] - [ 0.0002613400000000, -0.0011802900000000, -0.0003687600000000 ] - [ -0.0004546600000000, 0.0014486700000000, -0.0004425100000000 ] - [ -0.0000040500000000, 0.0011287100000000, -0.0004498600000000 ] - [ -0.0018903900000000, -0.0012449400000000, -0.0011058900000000 ] - [ 0.0016051800000000, 0.0020706200000000, -0.0016860100000000 ] - [ 0.0018339600000000, 0.0015424800000000, 0.0014629300000000 ] - [ 0.0000010500000000, 0.0011134100000000, 0.0000832900000000 ] - [ 0.0011607700000000, -0.0007414600000000, -0.0013856400000000 ] - [ -0.0007181200000000, -0.0014131700000000, -0.0011223800000000 ] - [ -0.0006988100000000, -0.0026235200000000, 0.0008857500000000 ] - [ 0.0003674200000000, -0.0003162000000000, 0.0000261700000000 ] - [ 0.1131823600000000, 0.2127786300000000, 0.0263270600000000 ] - [ 0.0001586800000000, 0.0022684900000000, -0.0006594900000000 ] - [ 0.0002928500000000, -0.0016079500000000, 0.0003471500000000 ] - [ 0.0001643200000000, -0.0011750800000000, 0.0003994600000000 ] - [ 0.0005951200000000, 0.0023395900000000, -0.0005886600000000 ] - [ -0.0058713100000000, 0.0027359100000000, 0.0049981500000000 ] - [ -0.0003583900000000, -0.0018753200000000, 0.0001577400000000 ] - [ 0.0001430900000000, -0.0014541200000000, 0.0000759300000000 ] - [ 0.0017502100000000, -0.0012682700000000, 0.0020200600000000 ] - [ -0.0011425900000000, -0.0001434700000000, 0.0000110900000000 ] - [ 0.0007215700000000, -0.0046543100000000, -0.0036118200000000 ] - [ 0.0000050500000000, -0.0001347900000000, -0.0005632700000000 ] - [ -0.0001914300000000, -0.0000867200000000, 0.0001332200000000 ] - [ -0.0008181200000000, -0.0003391600000000, 0.0004731900000000 ] - [ -0.0012154000000000, -0.0000824300000000, -0.0005942300000000 ] - [ -0.0000334100000000, -0.0003383700000000, -0.0002530200000000 ] - [ 0.0026016200000000, -0.0005472600000000, 0.0015314100000000 ] - [ -0.0032643900000000, -0.0059860600000000, 0.0005596900000000 ] - [ -0.0036717500000000, -0.0024321500000000, -0.0004085700000000 ] - [ 0.0015092500000000, -0.0007770800000000, 0.0001622700000000 ] - [ 0.0013941200000000, 0.0017335600000000, -0.0003909200000000 ] - [ 0.0011488000000000, 0.0024749100000000, 0.0004340900000000 ] - [ 0.0003451700000000, -0.0009212600000000, -0.0002351900000000 ] - [ 0.0000390200000000, -0.0009680700000000, -0.0000885800000000 ] - [ -0.0149864800000000, -0.0477263900000000, -0.0290837000000000 ] - [ -0.0006115400000000, 0.0010287800000000, -0.0001568500000000 ] - [ 0.0002164600000000, -0.0041438500000000, 0.0006630500000000 ] - [ -0.0007528200000000, -0.0019012900000000, -0.0001967000000000 ] - [ 0.0008010000000000, 0.0029208600000000, -0.0002860200000000 ] - [ -0.0003452800000000, 0.0015381600000000, 0.0003126600000000 ] - [ 0.0001244600000000, -0.0014114600000000, 0.0003044800000000 ] - [ 0.0000250600000000, -0.0010882500000000, 0.0002912400000000 ] - [ -0.0306596500000000, -0.0106522600000000, 0.0156412200000000 ] - [ 0.0043349400000000, 0.0003326800000000, 0.0016058100000000 ] - [ 0.0010051600000000, -0.0013265900000000, -0.0002492300000000 ] - [ 0.0007063500000000, -0.0012395100000000, -0.0001885500000000 ] - [ 0.0018294300000000, -0.0051240500000000, 0.0074878600000000 ] - [ -0.0010208700000000, -0.0003126500000000, 0.0006194600000000 ] - [ -0.0002736700000000, -0.0017344000000000, -0.0003577700000000 ] - [ -0.0003816600000000, -0.0012322400000000, -0.0001132000000000 ] - [ 0.0020129100000000, 0.0085253300000000, 0.0026061500000000 ] - [ -0.0018406800000000, 0.0025225700000000, -0.0002632900000000 ] - [ -0.0000099400000000, -0.0018165100000000, -0.0005310300000000 ] - [ -0.0002729800000000, -0.0012833500000000, -0.0005992700000000 ] - [ 0.0001528100000000, 0.0005675600000000, -0.0008313800000000 ] - [ -0.0006874400000000, 0.0001938000000000, 0.0013520400000000 ] - [ -0.0008444200000000, -0.0010929200000000, -0.0004709700000000 ] - [ -0.0007535800000000, -0.0008251300000000, 0.0000539100000000 ] - [ -0.0050681200000000, 0.0073396100000000, -0.0064381200000000 ] - [ -0.0008158600000000, 0.0054828300000000, -0.0010463400000000 ] - [ 0.0003357500000000, -0.0012731600000000, 0.0005028600000000 ] - [ 0.0000018900000000, -0.0012330700000000, 0.0003960500000000 ] - [ -0.0005911300000000, 0.0002110000000000, 0.0029425000000000 ] - [ -0.0007315100000000, 0.0016834400000000, 0.0006024600000000 ] - [ 0.0000803200000000, -0.0011960100000000, 0.0002430300000000 ] - [ -0.0001941100000000, -0.0012823800000000, 0.0003176100000000 ] - [ 0.0013559500000000, -0.0050334400000000, -0.0121751500000000 ] - [ -0.0016998800000000, 0.0009356100000000, -0.0020815700000000 ] - [ 0.0003357100000000, -0.0017372200000000, 0.0000298600000000 ] - [ 0.0001031300000000, -0.0011392900000000, -0.0002892800000000 ] - [ 0.0008103100000000, 0.0008599900000000, 0.0008195600000000 ] - [ 0.0000019000000000, 0.0006503100000000, 0.0003491100000000 ] - [ 0.0013159400000000, -0.0008365800000000, 0.0010512700000000 ] - [ 0.0010192400000000, -0.0006061300000000, 0.0006237200000000 ] - [ 0.0072561700000000, -0.0212168600000000, 0.0024937300000000 ] - [ -0.0024538800000000, -0.0000403600000000, 0.0009608100000000 ] - [ -0.0001666100000000, -0.0031282700000000, 0.0011989100000000 ] - [ -0.0004464200000000, -0.0004119500000000, 0.0002343300000000 ] - [ 0.0012360800000000, 0.0016730600000000, 0.0003848700000000 ] - [ 0.0010640200000000, 0.0041258700000000, 0.0014812100000000 ] - [ -0.0000758000000000, -0.0015018900000000, 0.0000064900000000 ] - [ 0.0003127400000000, -0.0015564600000000, -0.0001441900000000 ] - [ 0.0057631400000000, 0.0021141300000000, -0.0018249000000000 ] - [ -0.0194857800000000, -0.0081393800000000, -0.0112539500000000 ] - [ -0.0016414800000000, -0.0015823100000000, -0.0002638400000000 ] - [ -0.0008916100000000, -0.0010124900000000, -0.0000977000000000 ]- atom: 53 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ -0.0033831700000000, -0.0051987400000000, -0.0042201000000000 ] - [ 0.0059648700000000, -0.0091490900000000, -0.0071984700000000 ] - [ 0.0002873800000000, 0.0001083700000000, -0.0015746400000000 ] - [ 0.0001126200000000, 0.0013415900000000, -0.0034640100000000 ] - [ -0.0004169300000000, -0.0059758600000000, -0.0029945400000000 ] - [ -0.0003819800000000, -0.0012965900000000, -0.0010942400000000 ] - [ -0.0002275900000000, 0.0048239200000000, -0.0044770400000000 ] - [ -0.0001437600000000, 0.0021347800000000, -0.0023856800000000 ] - [ 0.0024249500000000, -0.0019226300000000, 0.0004852500000000 ] - [ 0.0262760900000000, -0.0105134200000000, 0.0567641200000000 ] - [ 0.0001926300000000, 0.0006151400000000, 0.0003491200000000 ] - [ 0.0002698700000000, 0.0005463400000000, 0.0005446900000000 ] - [ 0.0054691900000000, 0.0004140200000000, 0.0270769500000000 ] - [ -0.0044347100000000, 0.0034508700000000, 0.0048924300000000 ] - [ 0.0002997400000000, -0.0015067200000000, 0.0010390100000000 ] - [ -0.0007928400000000, -0.0013346200000000, 0.0010082600000000 ] - [ -0.0082632200000000, 0.0014369600000000, -0.0073498700000000 ] - [ 0.0010247400000000, -0.0009139200000000, -0.0028850100000000 ] - [ -0.0000159100000000, -0.0000558100000000, -0.0003975300000000 ] - [ 0.0001145200000000, 0.0001407400000000, -0.0004275300000000 ] - [ 0.0036231800000000, -0.0015963300000000, -0.0051977700000000 ] - [ -0.0064789500000000, -0.0002766000000000, -0.0010957500000000 ] - [ -0.0001212300000000, 0.0000475500000000, -0.0001739100000000 ] - [ -0.0003619500000000, 0.0000177400000000, -0.0001119400000000 ] - [ -0.0015197100000000, 0.0022595500000000, -0.0010794900000000 ] - [ 0.0032637300000000, -0.0007221600000000, 0.0013504700000000 ] - [ -0.0028222300000000, -0.0060404900000000, 0.0011993900000000 ] - [ 0.0003760300000000, -0.0002104900000000, 0.0008065300000000 ] - [ 0.0125330300000000, 0.0067085900000000, 0.0543340800000000 ] - [ -0.0004630500000000, -0.0021785000000000, 0.0080557800000000 ] - [ -0.0006423200000000, 0.0007979000000000, 0.0006940700000000 ] - [ -0.0003176000000000, 0.0006476500000000, 0.0006580100000000 ] - [ 0.0038133900000000, 0.0031955700000000, -0.0019245100000000 ] - [ -0.0018497200000000, 0.0031677300000000, 0.0002339700000000 ] - [ 0.0003985600000000, -0.0008959400000000, 0.0002177700000000 ] - [ -0.0001729700000000, -0.0012846800000000, 0.0001674800000000 ] - [ 0.0028397800000000, -0.0039948700000000, 0.0092914500000000 ] - [ -0.0017547300000000, -0.0023450100000000, 0.0009653200000000 ] - [ -0.0003957400000000, 0.0009602200000000, 0.0022083900000000 ] - [ -0.0003076500000000, 0.0012110300000000, 0.0014477700000000 ] - [ 0.0015239600000000, 0.0026558500000000, -0.0067167600000000 ] - [ -0.0020290800000000, -0.0007717300000000, -0.0056039000000000 ] - [ -0.0001004800000000, -0.0001217300000000, -0.0006588000000000 ] - [ -0.0003542700000000, -0.0001745400000000, -0.0009080400000000 ] - [ 0.0008735800000000, 0.0014129400000000, -0.0039700700000000 ] - [ 0.0012854600000000, 0.0023788300000000, -0.0034352000000000 ] - [ -0.0003023100000000, -0.0003315700000000, -0.0013978200000000 ] - [ 0.0001552900000000, 0.0001774200000000, -0.0006435000000000 ] - [ -0.0008244200000000, 0.0013033600000000, -0.0011321500000000 ] - [ 0.0004878600000000, 0.0017031600000000, -0.0006145200000000 ] - [ -0.0010268900000000, -0.0021217400000000, -0.0001689000000000 ] - [ 0.0002468200000000, -0.0019967400000000, -0.0007933000000000 ] - [ -0.0529091500000000, -0.0233614300000000, -0.1937544300000000 ] - [ 0.0013439900000000, 0.0010571900000000, -0.0028257400000000 ] - [ 0.0006222700000000, 0.0000548400000000, -0.0002973600000000 ] - [ 0.0007221700000000, -0.0000002700000000, -0.0001547800000000 ] - [ 0.0013195100000000, -0.0030090900000000, 0.0015877600000000 ] - [ -0.0036658000000000, -0.0004236400000000, 0.0044245400000000 ] - [ 0.0000721700000000, 0.0001240900000000, 0.0002467800000000 ] - [ -0.0001458500000000, -0.0001597500000000, 0.0003245000000000 ] - [ 0.0011273300000000, -0.0013434000000000, 0.0013631100000000 ] - [ -0.0006360700000000, -0.0003488100000000, 0.0001970100000000 ] - [ 0.0000839900000000, 0.0024535600000000, 0.0015285400000000 ] - [ 0.0004276900000000, 0.0006209400000000, -0.0000774600000000 ] - [ -0.0003543500000000, -0.0001821600000000, 0.0011921800000000 ] - [ -0.0002324900000000, 0.0001478800000000, 0.0022540600000000 ] - [ -0.0005379300000000, 0.0005342100000000, 0.0011889900000000 ] - [ -0.0009542800000000, 0.0008842100000000, 0.0022444100000000 ] - [ 0.0011138700000000, -0.0005185000000000, 0.0004086700000000 ] - [ -0.0036317200000000, -0.0062625200000000, 0.0003064100000000 ] - [ 0.0019469400000000, 0.0019194500000000, 0.0000017700000000 ] - [ -0.0009357300000000, 0.0011808900000000, -0.0005632700000000 ] - [ 0.0009651000000000, 0.0016489400000000, 0.0045955600000000 ] - [ -0.0005714400000000, 0.0010841500000000, 0.0032681400000000 ] - [ 0.0003697700000000, 0.0001969900000000, 0.0003223500000000 ] - [ 0.0003262300000000, 0.0001294300000000, 0.0004372100000000 ] - [ 0.0087533000000000, 0.0297953100000000, 0.0055469800000000 ] - [ 0.0004431400000000, 0.0004723200000000, -0.0017485000000000 ] - [ 0.0002188000000000, -0.0016205800000000, 0.0000151400000000 ] - [ -0.0009193800000000, -0.0008319200000000, -0.0003103400000000 ] - [ -0.0048379300000000, -0.0009569100000000, 0.0072292900000000 ] - [ 0.0011877900000000, -0.0004908000000000, 0.0011007100000000 ] - [ 0.0000566400000000, 0.0000605300000000, 0.0002033000000000 ] - [ 0.0002137800000000, 0.0000744500000000, 0.0001663600000000 ] - [ -0.0201720800000000, -0.0130667100000000, -0.0030229000000000 ] - [ 0.0076566100000000, -0.0034815400000000, -0.0048049400000000 ] - [ 0.0006105400000000, 0.0000921000000000, -0.0007593500000000 ] - [ 0.0006374500000000, 0.0001239700000000, -0.0008491500000000 ] - [ -0.0024261900000000, -0.0090624200000000, 0.0049681300000000 ] - [ 0.0011520100000000, -0.0013454100000000, 0.0006710100000000 ] - [ -0.0004993400000000, 0.0008013000000000, -0.0008542300000000 ] - [ 0.0000049700000000, 0.0002911100000000, -0.0003439400000000 ] - [ 0.0009341300000000, 0.0018941100000000, 0.0292746400000000 ] - [ 0.0000608500000000, 0.0000013200000000, 0.0006709100000000 ] - [ -0.0000628600000000, 0.0000646500000000, -0.0001117200000000 ] - [ -0.0000825400000000, 0.0001343400000000, -0.0000883100000000 ] - [ -0.0017290200000000, 0.0008204600000000, 0.0049013000000000 ] - [ 0.0006529500000000, 0.0007714700000000, 0.0026725900000000 ] - [ -0.0010545700000000, -0.0001973700000000, 0.0012652900000000 ] - [ -0.0008101200000000, -0.0001677300000000, 0.0007537000000000 ] - [ 0.0228807800000000, 0.0075881000000000, 0.0122241800000000 ] - [ -0.0092626500000000, 0.0020651000000000, 0.0026245900000000 ] - [ 0.0000753800000000, 0.0000179800000000, 0.0002837800000000 ] - [ -0.0001663000000000, -0.0000806800000000, 0.0002714000000000 ] - [ -0.0014236500000000, -0.0011038000000000, 0.0020431800000000 ] - [ 0.0039795800000000, -0.0054152100000000, 0.0041023400000000 ] - [ -0.0000375000000000, -0.0000366300000000, 0.0006239500000000 ] - [ 0.0002570400000000, 0.0003259800000000, 0.0006337400000000 ] - [ -0.0034809600000000, 0.0153768700000000, 0.0106376000000000 ] - [ 0.0013061300000000, 0.0003982700000000, -0.0009908300000000 ] - [ -0.0000303800000000, -0.0008859400000000, -0.0006727000000000 ] - [ 0.0002377000000000, -0.0007082300000000, -0.0004690100000000 ] - [ 0.0011547500000000, 0.0004100700000000, 0.0044385800000000 ] - [ 0.0021443800000000, -0.0000467600000000, 0.0032471200000000 ] - [ 0.0006423500000000, 0.0006530200000000, 0.0019457200000000 ] - [ 0.0008938000000000, 0.0002223900000000, 0.0011487700000000 ] - [ 0.0027265700000000, -0.0068193500000000, -0.0052951100000000 ] - [ 0.0007072300000000, 0.0011695300000000, -0.0023231000000000 ] - [ -0.0005470100000000, 0.0018429200000000, -0.0016747100000000 ] - [ -0.0004126700000000, 0.0002352400000000, -0.0007805400000000 ] - [ -0.0019285200000000, 0.0009152500000000, 0.0008414200000000 ] - [ 0.0060125300000000, 0.0120794300000000, 0.0067976800000000 ] - [ 0.0001319300000000, -0.0005367000000000, 0.0002578400000000 ] - [ 0.0003175000000000, -0.0008153100000000, 0.0001516800000000 ] - [ -0.0025124500000000, 0.0014802900000000, -0.0044206400000000 ] - [ 0.0083893900000000, 0.0107843500000000, -0.0078231700000000 ] - [ -0.0008062400000000, -0.0001429700000000, -0.0011157000000000 ] - [ -0.0010557700000000, -0.0003038200000000, -0.0011683100000000 ]- atom: 53 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ 0.0039213100000000, 0.0039893800000000, 0.0036071300000000 ] - [ -0.0053245500000000, 0.0079863900000000, 0.0065049200000000 ] - [ 0.0002919400000000, -0.0013038700000000, 0.0010035900000000 ] - [ 0.0004796000000000, -0.0025427200000000, 0.0028867000000000 ] - [ -0.0001563400000000, 0.0070854600000000, 0.0035380700000000 ] - [ -0.0002093000000000, 0.0024751400000000, 0.0016531100000000 ] - [ -0.0003451500000000, -0.0035876600000000, 0.0050106400000000 ] - [ -0.0004547000000000, -0.0009415800000000, 0.0029501100000000 ] - [ -0.0019475500000000, 0.0031647300000000, -0.0009361500000000 ] - [ -0.0233598100000000, 0.0114717200000000, -0.0539380900000000 ] - [ 0.0003862500000000, 0.0005654700000000, -0.0008997200000000 ] - [ 0.0003154800000000, 0.0006334400000000, -0.0010934200000000 ] - [ -0.0053748300000000, -0.0007585900000000, -0.0269166000000000 ] - [ 0.0037858100000000, -0.0045917700000000, -0.0043690500000000 ] - [ -0.0008695500000000, 0.0002891100000000, -0.0004772500000000 ] - [ 0.0001978800000000, 0.0001193300000000, -0.0004499800000000 ] - [ 0.0085749000000000, -0.0011479800000000, 0.0068861000000000 ] - [ -0.0008183900000000, 0.0011756400000000, 0.0025123400000000 ] - [ 0.0002348100000000, 0.0003019800000000, 0.0000480400000000 ] - [ 0.0001038100000000, 0.0001077300000000, 0.0000787600000000 ] - [ -0.0037885200000000, 0.0012997100000000, 0.0055218700000000 ] - [ 0.0061594200000000, 0.0000260500000000, 0.0014347100000000 ] - [ -0.0000970400000000, -0.0003069800000000, 0.0005206900000000 ] - [ 0.0001389200000000, -0.0002763600000000, 0.0004576900000000 ] - [ 0.0012925900000000, -0.0019928100000000, 0.0013942300000000 ] - [ -0.0034823100000000, 0.0009710300000000, -0.0010020400000000 ] - [ 0.0025605400000000, 0.0061526000000000, -0.0008306000000000 ] - [ -0.0005908700000000, 0.0004636800000000, -0.0004574100000000 ] - [ -0.0135827900000000, -0.0069601900000000, -0.0546487300000000 ] - [ -0.0000416600000000, 0.0023639400000000, -0.0083675900000000 ] - [ 0.0001417900000000, -0.0005948000000000, -0.0010406600000000 ] - [ -0.0001834500000000, -0.0004480100000000, -0.0010075200000000 ] - [ -0.0034818100000000, -0.0035272900000000, 0.0016942200000000 ] - [ 0.0020253400000000, -0.0033887800000000, -0.0005527500000000 ] - [ -0.0001703000000000, 0.0006357900000000, -0.0005589800000000 ] - [ 0.0003866100000000, 0.0010129400000000, -0.0005100300000000 ] - [ -0.0023179400000000, 0.0038659700000000, -0.0088295200000000 ] - [ 0.0022280900000000, 0.0021135400000000, -0.0006124800000000 ] - [ 0.0008975000000000, -0.0011768500000000, -0.0018438700000000 ] - [ 0.0008007900000000, -0.0014074900000000, -0.0010854300000000 ] - [ -0.0019659300000000, -0.0027856700000000, 0.0063314600000000 ] - [ 0.0014937200000000, 0.0005653100000000, 0.0052055800000000 ] - [ -0.0003926800000000, -0.0000898800000000, 0.0003062100000000 ] - [ -0.0001476400000000, -0.0000344400000000, 0.0005513700000000 ] - [ -0.0003586600000000, -0.0012100700000000, 0.0042923400000000 ] - [ -0.0007913700000000, -0.0021689600000000, 0.0037594000000000 ] - [ 0.0007895500000000, 0.0005275800000000, 0.0017268800000000 ] - [ 0.0003390300000000, 0.0000274400000000, 0.0009880100000000 ] - [ 0.0006269600000000, -0.0010041100000000, 0.0011279200000000 ] - [ -0.0006650600000000, -0.0013924800000000, 0.0006185600000000 ] - [ 0.0008333800000000, 0.0024505300000000, 0.0001622000000000 ] - [ -0.0004218900000000, 0.0022791600000000, 0.0007956700000000 ] - [ 0.0518174800000000, 0.0229746200000000, 0.1918324100000000 ] - [ 0.0002265100000000, -0.0009932100000000, 0.0035635200000000 ] - [ 0.0009195100000000, 0.0000113900000000, 0.0010348000000000 ] - [ 0.0008244500000000, 0.0000672200000000, 0.0008933900000000 ] - [ -0.0015183400000000, 0.0026896300000000, -0.0015425100000000 ] - [ 0.0034618600000000, 0.0001279500000000, -0.0044041200000000 ] - [ -0.0002523300000000, -0.0004136800000000, -0.0002302100000000 ] - [ -0.0000380800000000, -0.0001350500000000, -0.0003079100000000 ] - [ -0.0010398300000000, 0.0017893100000000, -0.0021041900000000 ] - [ 0.0007257600000000, 0.0007950900000000, -0.0009443800000000 ] - [ -0.0000062300000000, -0.0019557700000000, -0.0022488900000000 ] - [ -0.0003384900000000, -0.0001704600000000, -0.0006705100000000 ] - [ -0.0011907200000000, 0.0002474500000000, -0.0019236600000000 ] - [ -0.0013051300000000, -0.0000783100000000, -0.0029744900000000 ] - [ -0.0010014300000000, -0.0004714500000000, -0.0019225400000000 ] - [ -0.0005890700000000, -0.0008215000000000, -0.0029676100000000 ] - [ -0.0008347000000000, 0.0008818800000000, -0.0000034900000000 ] - [ 0.0038962600000000, 0.0066556800000000, 0.0000769700000000 ] - [ -0.0016413200000000, -0.0015158600000000, 0.0003993100000000 ] - [ 0.0011952600000000, -0.0008001400000000, 0.0009604300000000 ] - [ 0.0001189900000000, -0.0014062000000000, -0.0048091200000000 ] - [ 0.0016889300000000, -0.0008287600000000, -0.0035034100000000 ] - [ 0.0007437700000000, 0.0000679700000000, -0.0005811000000000 ] - [ 0.0007885000000000, 0.0001344800000000, -0.0006963700000000 ] - [ -0.0085760900000000, -0.0300358800000000, -0.0053152400000000 ] - [ -0.0002477500000000, -0.0007696500000000, 0.0017267700000000 ] - [ -0.0000392900000000, 0.0013093200000000, -0.0000217500000000 ] - [ 0.0011024400000000, 0.0005375400000000, 0.0002968400000000 ] - [ 0.0049296000000000, 0.0012443800000000, -0.0071565300000000 ] - [ -0.0009731100000000, 0.0007775600000000, -0.0011198900000000 ] - [ 0.0001224200000000, 0.0002442100000000, -0.0002175600000000 ] - [ -0.0000267300000000, 0.0002280300000000, -0.0001798200000000 ] - [ 0.0213509000000000, 0.0128907600000000, 0.0024902700000000 ] - [ -0.0065159600000000, 0.0031889600000000, 0.0044360300000000 ] - [ 0.0005014700000000, -0.0003464500000000, 0.0004879100000000 ] - [ 0.0004758700000000, -0.0003773300000000, 0.0005786100000000 ] - [ 0.0020872700000000, 0.0085592700000000, -0.0053324900000000 ] - [ -0.0013891800000000, 0.0009776300000000, -0.0010753300000000 ] - [ 0.0002190200000000, -0.0011585500000000, 0.0004478800000000 ] - [ -0.0002711300000000, -0.0006562500000000, -0.0000545400000000 ] - [ -0.0012206700000000, -0.0015838700000000, -0.0303579900000000 ] - [ -0.0003187500000000, 0.0003737900000000, -0.0010554000000000 ] - [ -0.0002109500000000, 0.0003144600000000, -0.0002802500000000 ] - [ -0.0001859100000000, 0.0002421900000000, -0.0003045100000000 ] - [ 0.0005977500000000, -0.0010635900000000, -0.0046065200000000 ] - [ -0.0017392700000000, -0.0010181100000000, -0.0023883900000000 ] - [ -0.0000656100000000, -0.0000619700000000, -0.0009882700000000 ] - [ -0.0003017100000000, -0.0000903500000000, -0.0004859900000000 ] - [ -0.0230972400000000, -0.0071966000000000, -0.0113866900000000 ] - [ 0.0092132000000000, -0.0016324900000000, -0.0018601600000000 ] - [ -0.0001591300000000, 0.0004343100000000, 0.0004700900000000 ] - [ 0.0000803900000000, 0.0005340600000000, 0.0004833900000000 ] - [ 0.0013138100000000, 0.0006432800000000, -0.0013217000000000 ] - [ -0.0039970900000000, 0.0048755100000000, -0.0033050300000000 ] - [ -0.0000477600000000, -0.0004105000000000, 0.0001294900000000 ] - [ -0.0003380600000000, -0.0007658400000000, 0.0001210000000000 ] - [ 0.0035017800000000, -0.0155573800000000, -0.0112510300000000 ] - [ -0.0011852100000000, -0.0008493200000000, 0.0002283900000000 ] - [ 0.0001086400000000, 0.0004389500000000, -0.0000891200000000 ] - [ -0.0001494000000000, 0.0002584900000000, -0.0002865500000000 ] - [ 0.0003873000000000, -0.0004914900000000, -0.0036730200000000 ] - [ -0.0005794000000000, -0.0000226500000000, -0.0024859400000000 ] - [ 0.0008942500000000, -0.0007025200000000, -0.0011903100000000 ] - [ 0.0006506500000000, -0.0002796800000000, -0.0003997100000000 ] - [ -0.0038227800000000, 0.0069953500000000, 0.0056085000000000 ] - [ -0.0017923500000000, -0.0009041200000000, 0.0025653700000000 ] - [ -0.0005723900000000, -0.0015609900000000, 0.0019266000000000 ] - [ -0.0006969300000000, 0.0000266100000000, 0.0010390000000000 ] - [ 0.0021659800000000, -0.0012851100000000, -0.0004577200000000 ] - [ -0.0056592100000000, -0.0122548500000000, -0.0062795900000000 ] - [ 0.0001391900000000, 0.0001704400000000, 0.0001377400000000 ] - [ -0.0000441500000000, 0.0004395700000000, 0.0002442700000000 ] - [ 0.0010431000000000, -0.0015919100000000, 0.0036496100000000 ] - [ -0.0097574800000000, -0.0107044500000000, 0.0070084600000000 ] - [ -0.0007326800000000, 0.0000900000000000, 0.0003671300000000 ] - [ -0.0004891600000000, 0.0002435200000000, 0.0004166700000000 ]- atom: 61 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ -0.0007747800000000, -0.0023955800000000, -0.0000450300000000 ] - [ 0.0007694400000000, 0.0002536400000000, 0.0002034500000000 ] - [ -0.0081904900000000, 0.0099296000000000, -0.0021787100000000 ] - [ 0.0108069600000000, -0.0008562100000000, 0.0049630400000000 ] - [ 0.0028530200000000, 0.0015117400000000, 0.0050372500000000 ] - [ -0.0044837700000000, 0.0008992000000000, -0.0065857900000000 ] - [ -0.0001034600000000, 0.0004016600000000, 0.0002651700000000 ] - [ -0.0004918500000000, 0.0002741400000000, 0.0001605900000000 ] - [ -0.0005148000000000, -0.0005412800000000, -0.0000158100000000 ] - [ 0.0013328400000000, 0.0016829400000000, -0.0019792800000000 ] - [ -0.0002070900000000, 0.0016162300000000, -0.0003222400000000 ] - [ 0.0008142000000000, 0.0002761600000000, -0.0001406600000000 ] - [ 0.0031461100000000, 0.0097068600000000, -0.0073643200000000 ] - [ -0.0099794300000000, -0.0071245700000000, 0.0068481700000000 ] - [ 0.0001721000000000, -0.0017578800000000, -0.0006026400000000 ] - [ -0.0005976800000000, -0.0004042700000000, 0.0003929300000000 ] - [ 0.0091271800000000, -0.0089601800000000, 0.0009718700000000 ] - [ -0.0029337500000000, 0.0026467500000000, 0.0002152000000000 ] - [ 0.0022357000000000, 0.0011748800000000, 0.0003323600000000 ] - [ -0.0020074700000000, -0.0016088600000000, -0.0008010500000000 ] - [ 0.0009184000000000, -0.0003745800000000, -0.0010208400000000 ] - [ -0.0012632800000000, -0.0000739500000000, 0.0003121600000000 ] - [ 0.0001798400000000, -0.0002106200000000, 0.0001354000000000 ] - [ -0.0003541900000000, -0.0002627600000000, 0.0002783600000000 ] - [ 0.0552014800000000, -0.0002130900000000, -0.0018178500000000 ] - [ -0.0106441400000000, 0.0011355100000000, 0.0014899200000000 ] - [ 0.0001840000000000, -0.0000124400000000, 0.0001728400000000 ] - [ -0.0003691000000000, 0.0000652300000000, 0.0001958700000000 ] - [ 0.0021520800000000, 0.0002859300000000, 0.0011831400000000 ] - [ -0.0021532400000000, 0.0000885400000000, -0.0011578100000000 ] - [ -0.0000170800000000, 0.0009674600000000, -0.0005296000000000 ] - [ -0.0019312700000000, 0.0008376200000000, -0.0009663000000000 ] - [ 0.0005193900000000, -0.0003484500000000, -0.0002627300000000 ] - [ -0.0002761800000000, -0.0000313300000000, -0.0003187700000000 ] - [ 0.0016435400000000, 0.0005930700000000, -0.0001171600000000 ] - [ -0.0017684200000000, -0.0004274000000000, -0.0001740100000000 ] - [ 0.0011748100000000, -0.0010185100000000, 0.0006718100000000 ] - [ -0.0027596900000000, -0.0009087500000000, -0.0001975600000000 ] - [ 0.0005099900000000, -0.0000912700000000, 0.0001495100000000 ] - [ -0.0000345200000000, -0.0002764900000000, 0.0000976200000000 ] - [ 0.0008917500000000, -0.0004206100000000, -0.0010590700000000 ] - [ -0.0009315000000000, -0.0001103600000000, -0.0000032200000000 ] - [ 0.0031352400000000, -0.0004733400000000, -0.0003771300000000 ] - [ -0.0032522600000000, 0.0013087600000000, 0.0014890800000000 ] - [ 0.0629911700000000, 0.0088820500000000, 0.0154727500000000 ] - [ -0.0065594000000000, 0.0018753000000000, -0.0001060300000000 ] - [ 0.0006245300000000, -0.0000976900000000, 0.0003089400000000 ] - [ -0.0001437000000000, -0.0002588900000000, 0.0002986100000000 ] - [ -0.0011907000000000, -0.0000646800000000, 0.0001917600000000 ] - [ 0.0007840700000000, 0.0005860500000000, 0.0001468000000000 ] - [ -0.0002149700000000, 0.0002625700000000, 0.0000743300000000 ] - [ 0.0000071200000000, 0.0001971300000000, 0.0000517700000000 ] - [ -0.0013953400000000, -0.0016899100000000, 0.0014357400000000 ] - [ 0.0021656100000000, 0.0012158300000000, -0.0002915700000000 ] - [ 0.0002869700000000, -0.0006607900000000, 0.0004054400000000 ] - [ 0.0014013600000000, 0.0000703700000000, 0.0007626000000000 ] - [ 0.0257192600000000, 0.0383277800000000, 0.0030340700000000 ] - [ 0.0036470000000000, -0.0025445900000000, -0.0009140300000000 ] - [ -0.0005853400000000, -0.0002292600000000, -0.0000404700000000 ] - [ 0.0002865300000000, 0.0005402200000000, -0.0000905900000000 ] - [ -0.2169209500000000, -0.0454134500000000, -0.0129926900000000 ] - [ 0.0049579100000000, 0.0002114600000000, -0.0003115500000000 ] - [ -0.0001815100000000, 0.0003277700000000, -0.0004366100000000 ] - [ 0.0003197000000000, 0.0004320800000000, -0.0003633100000000 ] - [ 0.0250042400000000, -0.0050220900000000, 0.0227187300000000 ] - [ 0.0091808600000000, -0.0007231900000000, -0.0095789900000000 ] - [ -0.0008457400000000, 0.0004092100000000, -0.0002549300000000 ] - [ -0.0007773300000000, 0.0000736900000000, -0.0004944100000000 ] - [ 0.0351301800000000, -0.0081297200000000, -0.0191901900000000 ] - [ 0.0261511900000000, 0.0042366400000000, 0.0109035000000000 ] - [ -0.0000061100000000, 0.0004108500000000, 0.0000899300000000 ] - [ 0.0002566200000000, 0.0002760600000000, 0.0002059600000000 ] - [ -0.0004300900000000, 0.0031522400000000, 0.0011174200000000 ] - [ 0.0011314000000000, -0.0003887400000000, -0.0005713800000000 ] - [ -0.0009304100000000, -0.0012826300000000, 0.0002446700000000 ] - [ 0.0050476200000000, 0.0015428100000000, -0.0037531700000000 ] - [ -0.0005321300000000, -0.0001274000000000, 0.0000258900000000 ] - [ 0.0008242500000000, -0.0002047800000000, -0.0001455600000000 ] - [ -0.0104960700000000, -0.0005078200000000, -0.0009438900000000 ] - [ 0.0051935700000000, 0.0003673200000000, -0.0011213500000000 ] - [ -0.0006135000000000, 0.0004030500000000, 0.0003760200000000 ] - [ 0.0006243300000000, 0.0001270500000000, -0.0001561300000000 ] - [ -0.0005535800000000, 0.0005137900000000, -0.0001526500000000 ] - [ 0.0008572700000000, -0.0000421100000000, -0.0005459800000000 ] - [ -0.0001301000000000, 0.0000408800000000, -0.0002311200000000 ] - [ 0.0011093500000000, -0.0004303800000000, 0.0000329000000000 ] - [ 0.0000143000000000, -0.0005926800000000, -0.0000581400000000 ] - [ 0.0011116200000000, -0.0000505800000000, 0.0001418400000000 ] - [ -0.0004421000000000, -0.0003361900000000, -0.0001349400000000 ] - [ 0.0001639600000000, 0.0000423000000000, -0.0001832000000000 ] - [ -0.0012104000000000, 0.0001376600000000, -0.0008117100000000 ] - [ 0.0012699400000000, -0.0015427700000000, 0.0005060100000000 ] - [ -0.0047910600000000, -0.0019064300000000, -0.0017883100000000 ] - [ 0.0034317500000000, 0.0011995700000000, 0.0004769700000000 ] - [ -0.0025110100000000, 0.0020588300000000, 0.0001591400000000 ] - [ 0.0015164700000000, -0.0009195300000000, -0.0001939800000000 ] - [ -0.0084785300000000, -0.0023694800000000, -0.0016385500000000 ] - [ 0.0024209300000000, -0.0001104200000000, -0.0009341700000000 ] - [ -0.0007052400000000, -0.0000437800000000, 0.0001324900000000 ] - [ -0.0003590900000000, -0.0000227700000000, 0.0000456200000000 ] - [ -0.0011053000000000, 0.0025544400000000, -0.0012511500000000 ] - [ 0.0018599800000000, -0.0017177500000000, 0.0000673600000000 ] - [ -0.0011034500000000, -0.0004190700000000, 0.0002599400000000 ] - [ 0.0018575700000000, 0.0014649100000000, 0.0019906800000000 ] - [ -0.0001802200000000, 0.0000508900000000, 0.0006314400000000 ] - [ 0.0001458300000000, -0.0002868000000000, 0.0004296700000000 ] - [ -0.0009951400000000, -0.0011942300000000, 0.0007432300000000 ] - [ 0.0006270700000000, 0.0001920200000000, -0.0003123700000000 ] - [ -0.0008307900000000, -0.0000911300000000, -0.0007987400000000 ] - [ 0.0014785100000000, 0.0002631500000000, 0.0001030200000000 ] - [ -0.0000894500000000, -0.0001362700000000, -0.0004153000000000 ] - [ 0.0002132900000000, -0.0002093900000000, -0.0003540200000000 ] - [ 0.0001589700000000, 0.0002656900000000, 0.0002937800000000 ] - [ 0.0011139200000000, 0.0000311300000000, 0.0005674900000000 ] - [ -0.0040772700000000, 0.0012508000000000, -0.0031360800000000 ] - [ 0.0046729300000000, -0.0017711200000000, 0.0016576000000000 ] - [ -0.0103715300000000, 0.0007524200000000, -0.0018199100000000 ] - [ 0.0040294000000000, -0.0012075200000000, -0.0003501400000000 ] - [ -0.0007969600000000, 0.0002185000000000, 0.0002461700000000 ] - [ -0.0004070900000000, 0.0001586900000000, 0.0000884800000000 ] - [ -0.0004106000000000, 0.0005483300000000, 0.0008292100000000 ] - [ 0.0005820200000000, -0.0005626900000000, 0.0002556100000000 ] - [ 0.0000152300000000, -0.0002388200000000, 0.0001846800000000 ] - [ 0.0001938400000000, -0.0000270000000000, 0.0001577900000000 ] - [ -0.0016256100000000, 0.0005263500000000, -0.0017460500000000 ] - [ 0.0021917300000000, 0.0006557300000000, 0.0036566000000000 ] - [ -0.0008078300000000, -0.0001530100000000, -0.0003657400000000 ] - [ -0.0006943600000000, 0.0001208400000000, -0.0000716600000000 ]- atom: 61 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ 0.0013535400000000, 0.0012054600000000, -0.0005131900000000 ] - [ -0.0001761000000000, -0.0014487500000000, -0.0007604000000000 ] - [ 0.0087382200000000, -0.0111366800000000, 0.0016189000000000 ] - [ -0.0097673800000000, 0.0003096500000000, -0.0055240200000000 ] - [ -0.0033693700000000, -0.0003138400000000, -0.0044573400000000 ] - [ 0.0038739500000000, 0.0003041300000000, 0.0071629500000000 ] - [ -0.0004775000000000, 0.0007902100000000, 0.0002950300000000 ] - [ -0.0000932500000000, 0.0009181800000000, 0.0004004200000000 ] - [ 0.0010861300000000, 0.0017301200000000, -0.0005432600000000 ] - [ -0.0007337500000000, -0.0004992800000000, 0.0014104200000000 ] - [ 0.0007779100000000, -0.0004235800000000, -0.0002325200000000 ] - [ -0.0002143500000000, 0.0009185800000000, -0.0004093000000000 ] - [ -0.0034399200000000, -0.0110670800000000, 0.0080929600000000 ] - [ 0.0093337700000000, 0.0059348400000000, -0.0062888600000000 ] - [ -0.0007465900000000, 0.0005616600000000, 0.0011458600000000 ] - [ 0.0000083500000000, -0.0007904500000000, 0.0001608600000000 ] - [ -0.0089371500000000, 0.0091841000000000, -0.0013228000000000 ] - [ 0.0031491300000000, -0.0023656000000000, -0.0005605400000000 ] - [ -0.0020067100000000, -0.0009112900000000, -0.0006828600000000 ] - [ 0.0022218600000000, 0.0018531600000000, 0.0004571800000000 ] - [ -0.0011837400000000, 0.0000670200000000, 0.0013488600000000 ] - [ 0.0010501800000000, -0.0001722700000000, 0.0000402300000000 ] - [ -0.0004031600000000, -0.0000402800000000, 0.0002123700000000 ] - [ 0.0001358500000000, 0.0000050500000000, 0.0000690200000000 ] - [ -0.0561756100000000, 0.0009916100000000, 0.0035074300000000 ] - [ 0.0103941700000000, -0.0008669700000000, -0.0011229500000000 ] - [ -0.0004061300000000, 0.0002660900000000, 0.0001708700000000 ] - [ 0.0001492200000000, 0.0001906900000000, 0.0001488600000000 ] - [ -0.0026491500000000, -0.0000817000000000, -0.0015323300000000 ] - [ 0.0016519400000000, 0.0001180500000000, 0.0007992100000000 ] - [ -0.0005444400000000, -0.0006994100000000, 0.0001904100000000 ] - [ 0.0014320800000000, -0.0006465000000000, 0.0006013200000000 ] - [ -0.0002998100000000, 0.0000935400000000, -0.0000833400000000 ] - [ 0.0004969100000000, -0.0002214200000000, -0.0000268400000000 ] - [ -0.0014255800000000, -0.0008405400000000, -0.0002166200000000 ] - [ 0.0019905300000000, 0.0001704500000000, -0.0001737700000000 ] - [ -0.0007696000000000, 0.0007828200000000, -0.0002726200000000 ] - [ 0.0032657700000000, 0.0007131500000000, 0.0005392800000000 ] - [ -0.0000122100000000, -0.0001112900000000, 0.0002029000000000 ] - [ 0.0005348700000000, 0.0000718900000000, 0.0002543600000000 ] - [ -0.0013939400000000, 0.0002095700000000, 0.0007097600000000 ] - [ 0.0004326100000000, -0.0000910000000000, -0.0003467900000000 ] - [ -0.0036563500000000, 0.0002828100000000, 0.0000244300000000 ] - [ 0.0027561600000000, -0.0015210500000000, -0.0018310900000000 ] - [ -0.0649299100000000, -0.0100329200000000, -0.0178199700000000 ] - [ 0.0070354100000000, -0.0016609100000000, 0.0004584100000000 ] - [ -0.0001272100000000, 0.0003005700000000, 0.0000441200000000 ] - [ 0.0006417500000000, 0.0004593900000000, 0.0000551600000000 ] - [ 0.0010326100000000, 0.0003546700000000, -0.0002025300000000 ] - [ -0.0009739400000000, -0.0002904800000000, -0.0001297700000000 ] - [ 0.0000355900000000, 0.0000365100000000, -0.0000622000000000 ] - [ -0.0001867300000000, 0.0001020800000000, -0.0000391300000000 ] - [ 0.0029155400000000, 0.0017455500000000, -0.0006824100000000 ] - [ -0.0006206500000000, -0.0011597900000000, 0.0010400500000000 ] - [ 0.0012390000000000, 0.0006869700000000, 0.0003255500000000 ] - [ 0.0001455900000000, -0.0000053300000000, -0.0000163800000000 ] - [ -0.0261500100000000, -0.0392251600000000, -0.0031701200000000 ] - [ -0.0037913400000000, 0.0022109800000000, 0.0009233300000000 ] - [ 0.0004021300000000, -0.0000690900000000, 0.0000532000000000 ] - [ -0.0004678300000000, -0.0008331800000000, 0.0001015500000000 ] - [ 0.2200284800000000, 0.0466776000000000, 0.0135842000000000 ] - [ -0.0048554500000000, 0.0002362200000000, -0.0004454200000000 ] - [ 0.0002642600000000, 0.0001221400000000, -0.0003184600000000 ] - [ -0.0002350400000000, 0.0000168900000000, -0.0003902500000000 ] - [ -0.0268984200000000, 0.0051223300000000, -0.0238674100000000 ] - [ -0.0105546200000000, 0.0008042900000000, 0.0086718600000000 ] - [ -0.0006946800000000, -0.0003491500000000, -0.0004889400000000 ] - [ -0.0007661000000000, -0.0000124700000000, -0.0002489700000000 ] - [ -0.0354462100000000, 0.0086714500000000, 0.0200769400000000 ] - [ -0.0254164800000000, -0.0037512500000000, -0.0102400000000000 ] - [ 0.0002804100000000, -0.0000385400000000, 0.0003076000000000 ] - [ 0.0000160100000000, 0.0000975100000000, 0.0001900300000000 ] - [ 0.0015519600000000, -0.0028994400000000, -0.0013899700000000 ] - [ -0.0000164400000000, 0.0006440300000000, 0.0003027200000000 ] - [ 0.0020542500000000, 0.0015436200000000, -0.0005120200000000 ] - [ -0.0039160800000000, -0.0012849300000000, 0.0034730000000000 ] - [ 0.0007115100000000, -0.0001699600000000, -0.0000387900000000 ] - [ -0.0006393400000000, -0.0000954400000000, 0.0001344900000000 ] - [ 0.0107372000000000, -0.0001056900000000, 0.0007295500000000 ] - [ -0.0050025600000000, -0.0006443900000000, 0.0011092700000000 ] - [ 0.0007954200000000, -0.0000866000000000, -0.0003871400000000 ] - [ -0.0004418100000000, 0.0001682500000000, 0.0001439700000000 ] - [ 0.0007359400000000, -0.0002247300000000, 0.0001424800000000 ] - [ -0.0006742900000000, 0.0003445600000000, 0.0005317600000000 ] - [ 0.0012443700000000, -0.0003028000000000, -0.0000334900000000 ] - [ 0.0000055100000000, 0.0001681400000000, -0.0002955100000000 ] - [ 0.0011147900000000, 0.0003234600000000, -0.0002228900000000 ] - [ -0.0000008700000000, -0.0002076100000000, -0.0004022700000000 ] - [ 0.0001674500000000, -0.0000345400000000, -0.0002604300000000 ] - [ -0.0004365300000000, -0.0004138500000000, -0.0002136600000000 ] - [ 0.0009313700000000, -0.0005105900000000, 0.0004088900000000 ] - [ -0.0015416900000000, 0.0011774900000000, -0.0009054800000000 ] - [ 0.0044993300000000, 0.0023054300000000, 0.0013805100000000 ] - [ -0.0036954600000000, -0.0008351200000000, -0.0008741600000000 ] - [ 0.0022098000000000, -0.0016756500000000, -0.0005477900000000 ] - [ -0.0017852200000000, 0.0012982100000000, -0.0002014600000000 ] - [ 0.0074280200000000, 0.0022405700000000, 0.0021530200000000 ] - [ -0.0035238300000000, -0.0001604900000000, 0.0011907400000000 ] - [ -0.0004108900000000, -0.0002181000000000, 0.0001306200000000 ] - [ -0.0007565100000000, -0.0002383200000000, 0.0002186700000000 ] - [ 0.0010278900000000, -0.0021028800000000, 0.0020108400000000 ] - [ -0.0019331100000000, 0.0021512100000000, 0.0006857300000000 ] - [ 0.0010313200000000, 0.0008594500000000, 0.0005018800000000 ] - [ -0.0019336300000000, -0.0010064700000000, -0.0012267500000000 ] - [ 0.0000994600000000, -0.0004974300000000, 0.0001231900000000 ] - [ -0.0002307700000000, -0.0001622500000000, 0.0003241100000000 ] - [ 0.0009196800000000, 0.0007449800000000, 0.0000059400000000 ] - [ -0.0007182100000000, -0.0006360300000000, 0.0010611200000000 ] - [ 0.0009135800000000, -0.0003388600000000, 0.0000350300000000 ] - [ -0.0013979300000000, -0.0007174200000000, -0.0008559600000000 ] - [ 0.0001733300000000, -0.0003148600000000, -0.0003409600000000 ] - [ -0.0001300300000000, -0.0002395300000000, -0.0004002600000000 ] - [ 0.0013811900000000, -0.0003238000000000, 0.0004479500000000 ] - [ 0.0004287200000000, -0.0000922500000000, 0.0001738400000000 ] - [ 0.0055825100000000, -0.0013742000000000, 0.0039443500000000 ] - [ -0.0031347400000000, 0.0017164600000000, -0.0009204200000000 ] - [ 0.0093507900000000, -0.0004201400000000, 0.0017392600000000 ] - [ -0.0051385500000000, 0.0014531300000000, 0.0006260700000000 ] - [ -0.0003201300000000, 0.0000412600000000, 0.0000211500000000 ] - [ -0.0007081800000000, 0.0001029500000000, 0.0001773200000000 ] - [ 0.0007028800000000, -0.0009203800000000, -0.0004281600000000 ] - [ -0.0003187500000000, 0.0001896400000000, 0.0001367900000000 ] - [ 0.0002600500000000, -0.0001333600000000, 0.0002121000000000 ] - [ 0.0000772100000000, -0.0003462300000000, 0.0002382300000000 ] - [ 0.0001087100000000, -0.0005750300000000, 0.0010079200000000 ] - [ -0.0037318600000000, -0.0007139200000000, -0.0043905900000000 ] - [ -0.0007310400000000, 0.0000918600000000, -0.0003768500000000 ] - [ -0.0008492700000000, -0.0001821500000000, -0.0006700300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008117000000000, -0.0050075900000000, -0.0001644900000000 ] - [ 0.0018914400000000, -0.0062630400000000, -0.0006313900000000 ] - [ 0.0031603000000000, 0.0012467400000000, 0.0003952700000000 ] - [ -0.0062656700000000, 0.0182868900000000, 0.0062236800000000 ] - [ 0.0006892300000000, 0.0103196300000000, 0.0019017200000000 ] - [ -0.0009163500000000, 0.0049163900000000, 0.0014735100000000 ] - [ -0.0001086300000000, -0.0027151200000000, -0.0000449500000000 ] - [ -0.0003427100000000, -0.0023669100000000, 0.0000336900000000 ] - [ -0.0004449500000000, -0.0000738700000000, 0.0003305900000000 ] - [ 0.0008498600000000, -0.0012137500000000, 0.0015982600000000 ] - [ 0.0011975100000000, -0.0006596300000000, -0.0009668900000000 ] - [ -0.0011777400000000, -0.0006052800000000, -0.0018621200000000 ] - [ 0.0105123000000000, 0.0077879000000000, 0.0110297400000000 ] - [ -0.0063775600000000, 0.0053969500000000, 0.0078192000000000 ] - [ -0.0012109100000000, -0.0058788300000000, -0.0000317300000000 ] - [ 0.0003300400000000, -0.0041366700000000, -0.0001254300000000 ] - [ 0.0019573400000000, -0.0101406400000000, 0.0003771500000000 ] - [ -0.0000001400000000, -0.0002596300000000, -0.0011256400000000 ] - [ 0.0016195600000000, -0.0022953300000000, 0.0007734400000000 ] - [ -0.0012571600000000, -0.0025835700000000, -0.0009508600000000 ] - [ -0.0020144100000000, -0.0032275400000000, -0.0018015300000000 ] - [ 0.0003511500000000, 0.0007944400000000, 0.0005931800000000 ] - [ 0.0002622000000000, -0.0018539100000000, -0.0000579300000000 ] - [ -0.0002620800000000, -0.0014311900000000, 0.0001156300000000 ] - [ -0.0015136800000000, 0.0479734300000000, 0.0065361700000000 ] - [ -0.0016532000000000, 0.0022209100000000, 0.0000741200000000 ] - [ -0.0001898700000000, -0.0022335600000000, 0.0004030400000000 ] - [ -0.0001652600000000, -0.0017053200000000, 0.0003216000000000 ] - [ -0.0001848800000000, -0.0019552600000000, 0.0009517400000000 ] - [ 0.0005428000000000, -0.0012153100000000, 0.0006465400000000 ] - [ 0.0076741500000000, -0.0098594500000000, -0.0034215000000000 ] - [ -0.0015943700000000, 0.0010469300000000, -0.0013358600000000 ] - [ 0.0000868000000000, -0.0017812100000000, -0.0000569300000000 ] - [ 0.0001703600000000, -0.0016125800000000, 0.0000914600000000 ] - [ 0.0006097400000000, 0.0028952300000000, -0.0010978000000000 ] - [ 0.0000506400000000, 0.0018136100000000, -0.0000166600000000 ] - [ -0.0034377800000000, 0.0003719000000000, 0.0018132800000000 ] - [ 0.0023948900000000, 0.0034109100000000, 0.0004286300000000 ] - [ 0.0004672700000000, -0.0018179600000000, -0.0001469000000000 ] - [ -0.0000202700000000, -0.0017228900000000, -0.0001250400000000 ] - [ 0.0002597800000000, -0.0016669400000000, -0.0016320900000000 ] - [ 0.0000880400000000, -0.0007610100000000, -0.0007891100000000 ] - [ 0.0036059200000000, -0.0031982900000000, 0.0018689300000000 ] - [ -0.0018782400000000, 0.0013622200000000, 0.0025187600000000 ] - [ 0.0103387400000000, 0.0483125200000000, 0.0091993800000000 ] - [ 0.0000256200000000, 0.0042333300000000, -0.0011847100000000 ] - [ 0.0003168600000000, -0.0019728300000000, 0.0005605900000000 ] - [ 0.0001395800000000, -0.0019353500000000, 0.0006382200000000 ] - [ 0.0009345300000000, -0.0025318300000000, -0.0010891400000000 ] - [ -0.0001125400000000, -0.0021390800000000, -0.0006787400000000 ] - [ -0.0001470400000000, 0.0016710200000000, 0.0003418600000000 ] - [ -0.0001284300000000, 0.0016009100000000, 0.0003084800000000 ] - [ 0.0013009300000000, 0.0015301000000000, -0.0011874600000000 ] - [ 0.0007285300000000, 0.0004024100000000, -0.0002010900000000 ] - [ 0.0027909900000000, 0.0049023400000000, 0.0026026300000000 ] - [ 0.0011411700000000, 0.0003908400000000, 0.0007725100000000 ] - [ 0.0397562200000000, 0.0321273100000000, 0.0050649500000000 ] - [ -0.0026235900000000, -0.0017385800000000, 0.0015408700000000 ] - [ -0.0004303000000000, 0.0019179800000000, -0.0004609400000000 ] - [ 0.0002806100000000, 0.0018668700000000, -0.0004704800000000 ] - [ -0.0461364200000000, -0.1801917300000000, -0.0687798100000000 ] - [ 0.0000410400000000, -0.0020278500000000, -0.0006156300000000 ] - [ 0.0001437900000000, 0.0018671400000000, -0.0003491000000000 ] - [ 0.0002511100000000, 0.0016276100000000, -0.0003466300000000 ] - [ -0.0076136300000000, -0.0070623800000000, -0.0077534600000000 ] - [ 0.0010019400000000, -0.0052603400000000, -0.0022027900000000 ] - [ -0.0012166200000000, 0.0015327900000000, -0.0001685100000000 ] - [ -0.0014317600000000, 0.0014902500000000, -0.0000729800000000 ] - [ -0.0091539200000000, -0.0086923100000000, 0.0042616500000000 ] - [ 0.0060353700000000, -0.0063349300000000, 0.0039132600000000 ] - [ 0.0001692900000000, 0.0019979800000000, -0.0002356500000000 ] - [ 0.0001028400000000, 0.0022439900000000, -0.0004187700000000 ] - [ 0.0010009700000000, 0.0037760200000000, 0.0015950700000000 ] - [ 0.0003853600000000, 0.0008557500000000, 0.0006791400000000 ] - [ -0.0006294000000000, 0.0005653200000000, -0.0003207700000000 ] - [ 0.0060533400000000, 0.0022276200000000, -0.0048206600000000 ] - [ 0.0002140800000000, 0.0021223000000000, -0.0001133200000000 ] - [ 0.0000299900000000, 0.0014863900000000, -0.0000234400000000 ] - [ -0.0098854300000000, 0.0423471600000000, 0.0423581700000000 ] - [ 0.0001690300000000, -0.0012619900000000, -0.0000318200000000 ] - [ 0.0001046800000000, 0.0010543400000000, 0.0004809200000000 ] - [ 0.0002800900000000, 0.0000250200000000, 0.0000798300000000 ] - [ -0.0004680300000000, 0.0023488400000000, -0.0009585500000000 ] - [ 0.0005008800000000, 0.0007967300000000, -0.0008838500000000 ] - [ 0.0007833500000000, 0.0007775200000000, -0.0010093600000000 ] - [ 0.0001996900000000, 0.0008896600000000, -0.0006583000000000 ] - [ -0.0016820800000000, 0.0004657000000000, 0.0029770300000000 ] - [ 0.0009934100000000, -0.0007123500000000, 0.0003985400000000 ] - [ -0.0001865100000000, 0.0011307800000000, -0.0004751400000000 ] - [ -0.0001549500000000, 0.0008354900000000, -0.0004821300000000 ] - [ -0.0000197300000000, -0.0017938600000000, -0.0001630500000000 ] - [ -0.0001796900000000, -0.0010712700000000, -0.0000830200000000 ] - [ -0.0019016900000000, 0.0080709000000000, -0.0001344100000000 ] - [ 0.0012666600000000, 0.0015497500000000, -0.0002203300000000 ] - [ -0.0008907000000000, 0.0036521500000000, -0.0000307600000000 ] - [ 0.0006052900000000, 0.0009077300000000, 0.0002496500000000 ] - [ 0.0016042600000000, 0.0019474000000000, 0.0217802800000000 ] - [ -0.0007207300000000, -0.0017492100000000, 0.0000674600000000 ] - [ -0.0003345100000000, 0.0011387400000000, 0.0002949600000000 ] - [ -0.0002645200000000, 0.0009277200000000, 0.0002353900000000 ] - [ 0.0005953900000000, 0.0025397000000000, -0.0014653100000000 ] - [ -0.0012792800000000, 0.0019746200000000, 0.0004308900000000 ] - [ -0.0023805600000000, 0.0025335500000000, -0.0003475700000000 ] - [ 0.0019047300000000, 0.0019829000000000, 0.0021754100000000 ] - [ 0.0002317200000000, 0.0008262900000000, 0.0008406700000000 ] - [ -0.0001041900000000, 0.0006163800000000, 0.0004803300000000 ] - [ -0.0010156900000000, -0.0010312800000000, -0.0003603000000000 ] - [ 0.0003767600000000, -0.0013336400000000, -0.0006519000000000 ] - [ -0.0000831000000000, -0.0002309000000000, 0.0002864900000000 ] - [ -0.0004436900000000, -0.0013755700000000, -0.0008714900000000 ] - [ -0.0000483500000000, 0.0011337700000000, -0.0002169100000000 ] - [ 0.0000269000000000, 0.0008107300000000, -0.0003374100000000 ] - [ 0.0000874000000000, 0.0014853000000000, 0.0010241600000000 ] - [ 0.0006036900000000, 0.0008879100000000, 0.0008525300000000 ] - [ 0.0020500800000000, 0.0047859600000000, -0.0151844400000000 ] - [ 0.0014669000000000, -0.0012036600000000, -0.0002393400000000 ] - [ 0.0034115300000000, -0.0074672100000000, -0.0171757900000000 ] - [ 0.0002258100000000, -0.0022278500000000, 0.0007745200000000 ] - [ -0.0010857400000000, 0.0017588500000000, -0.0001039700000000 ] - [ -0.0008824500000000, 0.0013094300000000, -0.0000508600000000 ] - [ 0.0017652700000000, -0.0007849900000000, 0.0008546500000000 ] - [ -0.0003118500000000, -0.0016309200000000, -0.0005543000000000 ] - [ -0.0001616500000000, 0.0010864300000000, 0.0004152600000000 ] - [ 0.0002452800000000, 0.0012205300000000, 0.0004831500000000 ] - [ -0.0004139600000000, -0.0004541700000000, -0.0012408400000000 ] - [ -0.0045494900000000, -0.0019211300000000, -0.0055324500000000 ] - [ -0.0005931600000000, 0.0009405500000000, -0.0001822500000000 ] - [ 0.0000399300000000, 0.0010280400000000, 0.0001866000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013920000000000, 0.0038026000000000, -0.0003938900000000 ] - [ -0.0013176000000000, 0.0050734800000000, 0.0000751000000000 ] - [ -0.0026266300000000, -0.0023233900000000, -0.0009713300000000 ] - [ 0.0076897800000000, -0.0183073700000000, -0.0067013000000000 ] - [ -0.0012661300000000, -0.0090842200000000, -0.0013455800000000 ] - [ 0.0002990500000000, -0.0037149200000000, -0.0009829100000000 ] - [ -0.0004734800000000, 0.0039001900000000, 0.0006068400000000 ] - [ -0.0002412200000000, 0.0035524600000000, 0.0005270000000000 ] - [ 0.0010201100000000, 0.0012507700000000, -0.0008882900000000 ] - [ -0.0002530400000000, 0.0024034900000000, -0.0021619900000000 ] - [ -0.0006130400000000, 0.0018641400000000, 0.0004057500000000 ] - [ 0.0017554500000000, 0.0017979700000000, 0.0012941100000000 ] - [ -0.0107933400000000, -0.0093657300000000, -0.0103122200000000 ] - [ 0.0057414200000000, -0.0066649200000000, -0.0072662200000000 ] - [ 0.0006260000000000, 0.0046625500000000, 0.0005815800000000 ] - [ -0.0009100600000000, 0.0029392900000000, 0.0006814500000000 ] - [ -0.0016943400000000, 0.0103510800000000, -0.0007102600000000 ] - [ 0.0002168600000000, 0.0005135900000000, 0.0007805200000000 ] - [ -0.0013787200000000, 0.0025453800000000, -0.0011089900000000 ] - [ 0.0014508800000000, 0.0028094700000000, 0.0005949700000000 ] - [ 0.0017808400000000, 0.0029486000000000, 0.0021151400000000 ] - [ -0.0005799800000000, -0.0010533200000000, -0.0002515000000000 ] - [ -0.0004828800000000, 0.0016013700000000, 0.0004014300000000 ] - [ 0.0000372700000000, 0.0011757500000000, 0.0002295700000000 ] - [ 0.0011537500000000, -0.0475153800000000, -0.0054932900000000 ] - [ 0.0013967500000000, -0.0019703800000000, 0.0002704100000000 ] - [ -0.0000304300000000, 0.0024812200000000, -0.0000603600000000 ] - [ -0.0000614500000000, 0.0019520200000000, 0.0000205700000000 ] - [ -0.0003073200000000, 0.0021567700000000, -0.0013086800000000 ] - [ -0.0010456900000000, 0.0014188600000000, -0.0010008500000000 ] - [ -0.0081277400000000, 0.0100396100000000, 0.0030875800000000 ] - [ 0.0010750700000000, -0.0008165800000000, 0.0009751700000000 ] - [ 0.0001372700000000, 0.0015228800000000, -0.0002850700000000 ] - [ 0.0000501400000000, 0.0013563500000000, -0.0004335500000000 ] - [ -0.0003692700000000, -0.0031259400000000, 0.0007451400000000 ] - [ 0.0001570300000000, -0.0020608800000000, -0.0003258500000000 ] - [ 0.0038962600000000, -0.0005897600000000, -0.0014297100000000 ] - [ -0.0019157700000000, -0.0036233200000000, -0.0000732400000000 ] - [ 0.0000350200000000, 0.0016059200000000, 0.0004978300000000 ] - [ 0.0005162300000000, 0.0015094000000000, 0.0004763500000000 ] - [ -0.0007537700000000, 0.0014496300000000, 0.0012799300000000 ] - [ -0.0005894400000000, 0.0005484700000000, 0.0004383200000000 ] - [ -0.0040804900000000, 0.0029786300000000, -0.0022122400000000 ] - [ 0.0013458200000000, -0.0015359000000000, -0.0028465000000000 ] - [ -0.0103003500000000, -0.0483429800000000, -0.0097454000000000 ] - [ 0.0004515500000000, -0.0040323700000000, 0.0015373500000000 ] - [ 0.0001842800000000, 0.0021763600000000, -0.0002047600000000 ] - [ 0.0003544500000000, 0.0021363400000000, -0.0002825200000000 ] - [ -0.0010947500000000, 0.0028209900000000, 0.0010839900000000 ] - [ -0.0000399600000000, 0.0024385400000000, 0.0006788100000000 ] - [ -0.0000085300000000, -0.0013629100000000, -0.0003389800000000 ] - [ -0.0000247200000000, -0.0012922800000000, -0.0003059200000000 ] - [ 0.0002179600000000, -0.0014775100000000, 0.0019270900000000 ] - [ 0.0007998700000000, -0.0003448700000000, 0.0009373900000000 ] - [ -0.0012639900000000, -0.0048281400000000, -0.0018584400000000 ] - [ 0.0003829300000000, -0.0003428900000000, -0.0000329300000000 ] - [ -0.0406163300000000, -0.0327411800000000, -0.0052416500000000 ] - [ 0.0024866600000000, 0.0014328700000000, -0.0015431400000000 ] - [ 0.0002708500000000, -0.0022171800000000, 0.0004608500000000 ] - [ -0.0004300000000000, -0.0021602400000000, 0.0004700800000000 ] - [ 0.0458575300000000, 0.1796219900000000, 0.0676759700000000 ] - [ 0.0000506900000000, 0.0024784900000000, -0.0001438200000000 ] - [ -0.0000772500000000, -0.0014151400000000, -0.0004101800000000 ] - [ -0.0001800200000000, -0.0011753800000000, -0.0004105200000000 ] - [ 0.0062941300000000, 0.0070506000000000, 0.0071941800000000 ] - [ -0.0025313900000000, 0.0052755800000000, 0.0014607600000000 ] - [ -0.0003059700000000, -0.0014772300000000, -0.0005688400000000 ] - [ -0.0000892100000000, -0.0014368500000000, -0.0006668900000000 ] - [ 0.0097076100000000, 0.0089375400000000, -0.0039603800000000 ] - [ -0.0056694600000000, 0.0066549200000000, -0.0034856000000000 ] - [ 0.0001317200000000, -0.0016232100000000, 0.0006316500000000 ] - [ 0.0002035700000000, -0.0018676800000000, 0.0008165400000000 ] - [ 0.0001321800000000, -0.0034903000000000, -0.0018627200000000 ] - [ 0.0007539500000000, -0.0005810700000000, -0.0009490000000000 ] - [ 0.0017464200000000, -0.0003037200000000, 0.0000496700000000 ] - [ -0.0048300100000000, -0.0019226000000000, 0.0044678800000000 ] - [ -0.0000634400000000, -0.0024222700000000, 0.0001166600000000 ] - [ 0.0001267000000000, -0.0017825800000000, 0.0000239100000000 ] - [ 0.0099742000000000, -0.0419405900000000, -0.0414163100000000 ] - [ 0.0000135000000000, 0.0009461200000000, 0.0000205100000000 ] - [ 0.0000480100000000, -0.0007362800000000, -0.0004809100000000 ] - [ -0.0001215100000000, 0.0002826700000000, -0.0000825000000000 ] - [ 0.0006171000000000, -0.0020450100000000, 0.0009570600000000 ] - [ -0.0003359600000000, -0.0004971300000000, 0.0008736900000000 ] - [ 0.0003492400000000, -0.0010437700000000, 0.0007392900000000 ] - [ 0.0009369400000000, -0.0011596100000000, 0.0003884100000000 ] - [ 0.0027962500000000, -0.0007394700000000, -0.0032291000000000 ] - [ 0.0001500200000000, 0.0004327300000000, -0.0006646500000000 ] - [ -0.0001192300000000, -0.0014967000000000, 0.0000776300000000 ] - [ -0.0001471700000000, -0.0011996600000000, 0.0000837200000000 ] - [ -0.0002912300000000, 0.0014129900000000, -0.0002335200000000 ] - [ -0.0001133800000000, 0.0006816400000000, -0.0003071000000000 ] - [ 0.0015956300000000, -0.0078074000000000, -0.0002683000000000 ] - [ -0.0015707500000000, -0.0011785500000000, -0.0001713400000000 ] - [ 0.0005698300000000, -0.0032551800000000, -0.0003651900000000 ] - [ -0.0008921800000000, -0.0005506000000000, -0.0006452500000000 ] - [ -0.0027913800000000, -0.0021597900000000, -0.0216226300000000 ] - [ -0.0003996400000000, 0.0014832700000000, 0.0002010300000000 ] - [ -0.0008024400000000, -0.0014082300000000, -0.0000273100000000 ] - [ -0.0008688100000000, -0.0011976200000000, 0.0000316900000000 ] - [ -0.0006686700000000, -0.0020766200000000, 0.0022212600000000 ] - [ 0.0012081500000000, -0.0015247800000000, 0.0003287100000000 ] - [ 0.0022906500000000, -0.0020831900000000, 0.0010981800000000 ] - [ -0.0019474200000000, -0.0015168300000000, -0.0013897000000000 ] - [ -0.0003001500000000, -0.0012686500000000, -0.0000825000000000 ] - [ 0.0000365900000000, -0.0010606700000000, 0.0002773500000000 ] - [ 0.0009372800000000, 0.0005674100000000, 0.0011212900000000 ] - [ -0.0004371000000000, 0.0008759800000000, 0.0014044900000000 ] - [ 0.0001489400000000, -0.0002112800000000, -0.0010706300000000 ] - [ 0.0005213100000000, 0.0009340200000000, 0.0001189000000000 ] - [ 0.0001152700000000, -0.0015789400000000, -0.0005405200000000 ] - [ 0.0000423800000000, -0.0012570700000000, -0.0004204400000000 ] - [ 0.0014290100000000, -0.0015336800000000, -0.0002917500000000 ] - [ 0.0009170700000000, -0.0009362200000000, -0.0001166300000000 ] - [ -0.0004931700000000, -0.0048299800000000, 0.0157165700000000 ] - [ 0.0000888800000000, 0.0011258400000000, 0.0009871600000000 ] - [ -0.0044681800000000, 0.0078669800000000, 0.0172691200000000 ] - [ -0.0013416200000000, 0.0024989600000000, -0.0005104400000000 ] - [ -0.0000548600000000, -0.0014825000000000, 0.0003748400000000 ] - [ -0.0002526100000000, -0.0010342200000000, 0.0003199900000000 ] - [ -0.0014573700000000, 0.0004248200000000, -0.0004487700000000 ] - [ 0.0006174200000000, 0.0012587300000000, 0.0009549700000000 ] - [ 0.0004634700000000, -0.0014556400000000, -0.0000190800000000 ] - [ 0.0000590700000000, -0.0015881700000000, -0.0000863900000000 ] - [ -0.0010971300000000, 0.0004127800000000, 0.0005042000000000 ] - [ 0.0030415400000000, 0.0018733700000000, 0.0048500800000000 ] - [ -0.0009283600000000, -0.0009912200000000, -0.0005535800000000 ] - [ -0.0015562900000000, -0.0010766300000000, -0.0009176100000000 ]- atom: 61 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ -0.0002626900000000, -0.0010332700000000, 0.0003716900000000 ] - [ 0.0008621100000000, -0.0005220300000000, 0.0005986500000000 ] - [ -0.0006998200000000, 0.0001059200000000, 0.0102771300000000 ] - [ 0.0022321900000000, 0.0026613600000000, 0.0218111200000000 ] - [ 0.0062615100000000, 0.0025929500000000, -0.0101566900000000 ] - [ -0.0036763900000000, 0.0018389300000000, -0.0080488900000000 ] - [ -0.0001425800000000, 0.0005574200000000, 0.0001168000000000 ] - [ -0.0004418200000000, 0.0005569100000000, 0.0001661700000000 ] - [ 0.0002632500000000, 0.0003402800000000, -0.0030479000000000 ] - [ 0.0009942700000000, 0.0007996700000000, -0.0044112900000000 ] - [ 0.0008417100000000, 0.0009090800000000, -0.0019581300000000 ] - [ -0.0000780600000000, 0.0012519900000000, -0.0031972500000000 ] - [ -0.0069215500000000, 0.0084934600000000, 0.0115888500000000 ] - [ 0.0002891500000000, 0.0043371800000000, 0.0048771700000000 ] - [ -0.0010244600000000, -0.0014126700000000, 0.0008946200000000 ] - [ 0.0001735500000000, -0.0011951900000000, 0.0003861000000000 ] - [ 0.0018773800000000, -0.0033484800000000, 0.0011068300000000 ] - [ -0.0005388000000000, -0.0003022500000000, 0.0008918600000000 ] - [ 0.0004199300000000, 0.0002761800000000, 0.0021257600000000 ] - [ 0.0002334500000000, 0.0003694600000000, 0.0002042700000000 ] - [ -0.0036058700000000, -0.0095350300000000, -0.0078690400000000 ] - [ 0.0002220900000000, -0.0008532600000000, -0.0005747400000000 ] - [ -0.0003455800000000, 0.0007905300000000, 0.0000769400000000 ] - [ -0.0001577400000000, 0.0002154600000000, 0.0000986800000000 ] - [ -0.0083142200000000, 0.0084074400000000, 0.0643757300000000 ] - [ -0.0032927400000000, 0.0010044300000000, 0.0015389700000000 ] - [ -0.0000314400000000, 0.0001201600000000, 0.0002753400000000 ] - [ -0.0001040900000000, 0.0003200400000000, 0.0002513600000000 ] - [ 0.0010375600000000, 0.0011463100000000, 0.0006421300000000 ] - [ -0.0009733900000000, 0.0005744600000000, -0.0008417800000000 ] - [ 0.0048711100000000, -0.0066862500000000, -0.0037652900000000 ] - [ 0.0000248900000000, -0.0008893800000000, -0.0007184100000000 ] - [ 0.0001397400000000, -0.0001719400000000, -0.0006666100000000 ] - [ -0.0000205800000000, 0.0000258100000000, -0.0005555800000000 ] - [ -0.0004156000000000, -0.0006613600000000, -0.0033694700000000 ] - [ -0.0001183700000000, -0.0000641600000000, -0.0014412400000000 ] - [ 0.0099117300000000, 0.0045787400000000, -0.0110938500000000 ] - [ -0.0011288800000000, -0.0013702600000000, -0.0020865800000000 ] - [ 0.0002332200000000, -0.0003346600000000, -0.0001961900000000 ] - [ 0.0001762900000000, -0.0001581200000000, -0.0000530500000000 ] - [ -0.0005122900000000, -0.0014156600000000, 0.0002241300000000 ] - [ -0.0004958800000000, -0.0004442000000000, 0.0000784900000000 ] - [ -0.0044825300000000, 0.0041020100000000, -0.0014252600000000 ] - [ -0.0002104800000000, 0.0012265000000000, 0.0001015300000000 ] - [ 0.0113249100000000, 0.0083924300000000, 0.0560013100000000 ] - [ 0.0023488100000000, -0.0026799900000000, 0.0034264400000000 ] - [ 0.0002602100000000, -0.0000108100000000, 0.0004653900000000 ] - [ 0.0002434700000000, 0.0000701700000000, 0.0003751800000000 ] - [ -0.0024263200000000, 0.0011846100000000, 0.0047425000000000 ] - [ -0.0007911500000000, 0.0009093900000000, 0.0021037700000000 ] - [ -0.0001361800000000, 0.0002091600000000, 0.0002107900000000 ] - [ -0.0001364300000000, 0.0001175200000000, 0.0001732100000000 ] - [ 0.0002542700000000, -0.0023621400000000, 0.0020858700000000 ] - [ 0.0009248200000000, -0.0003720000000000, 0.0009478700000000 ] - [ 0.0024019300000000, 0.0032601100000000, 0.0022774500000000 ] - [ 0.0007009900000000, 0.0002154900000000, 0.0006593000000000 ] - [ 0.0074818000000000, 0.0083984500000000, -0.0101692800000000 ] - [ 0.0005752200000000, 0.0013368000000000, -0.0030369400000000 ] - [ 0.0000043800000000, -0.0001173900000000, -0.0005020300000000 ] - [ 0.0000681200000000, -0.0002177600000000, -0.0002119000000000 ] - [ -0.0073470000000000, -0.0676882100000000, -0.2964281800000000 ] - [ 0.0000520000000000, -0.0000125800000000, -0.0030296200000000 ] - [ -0.0000144900000000, 0.0002507100000000, -0.0005542200000000 ] - [ 0.0000520700000000, 0.0002502400000000, -0.0005407300000000 ] - [ 0.0247124500000000, -0.0067427800000000, 0.0114560000000000 ] - [ -0.0097149100000000, -0.0013939900000000, 0.0018860500000000 ] - [ -0.0007709800000000, 0.0001521500000000, -0.0004647000000000 ] - [ -0.0008291800000000, 0.0000467400000000, -0.0004755000000000 ] - [ -0.0230971500000000, 0.0037504100000000, -0.0001008100000000 ] - [ 0.0154201500000000, 0.0032840700000000, 0.0023569000000000 ] - [ 0.0001129700000000, 0.0002668000000000, 0.0001033400000000 ] - [ 0.0001360300000000, 0.0002136600000000, 0.0001169700000000 ] - [ 0.0005533300000000, 0.0009613100000000, -0.0003041600000000 ] - [ 0.0005992400000000, 0.0000882700000000, -0.0006801200000000 ] - [ 0.0011937900000000, -0.0014578800000000, -0.0018988000000000 ] - [ 0.0011100900000000, -0.0001196700000000, -0.0011798000000000 ] - [ -0.0000289700000000, -0.0003196500000000, -0.0003242000000000 ] - [ 0.0005567900000000, -0.0005707900000000, -0.0001484000000000 ] - [ -0.0079263900000000, 0.0391751900000000, 0.0197985900000000 ] - [ 0.0007582400000000, 0.0012314200000000, -0.0004410200000000 ] - [ -0.0006481000000000, 0.0028841800000000, 0.0014735600000000 ] - [ -0.0000245300000000, 0.0007825500000000, 0.0001293700000000 ] - [ 0.0004346600000000, -0.0022417900000000, 0.0012790000000000 ] - [ -0.0000459800000000, -0.0004876600000000, 0.0002253400000000 ] - [ 0.0002128700000000, -0.0004246700000000, 0.0002147500000000 ] - [ 0.0006310100000000, -0.0004887100000000, 0.0003692800000000 ] - [ -0.0006010800000000, 0.0004882500000000, 0.0026012800000000 ] - [ 0.0007459600000000, -0.0002300200000000, 0.0007908100000000 ] - [ -0.0002509600000000, -0.0001233000000000, 0.0000706800000000 ] - [ -0.0000312800000000, -0.0001906500000000, -0.0000878300000000 ] - [ 0.0007213200000000, -0.0007054000000000, 0.0022152100000000 ] - [ 0.0001591100000000, -0.0012529700000000, 0.0008253800000000 ] - [ -0.0019535400000000, 0.0008199400000000, -0.0022772100000000 ] - [ 0.0004268400000000, 0.0003161700000000, -0.0007260600000000 ] - [ 0.0000440400000000, 0.0005459100000000, -0.0011389100000000 ] - [ -0.0001924600000000, 0.0000259200000000, -0.0004035700000000 ] - [ 0.0074329800000000, 0.0222786600000000, 0.0500478700000000 ] - [ -0.0001941600000000, 0.0009344600000000, 0.0003193300000000 ] - [ -0.0005684200000000, -0.0003121600000000, -0.0000091600000000 ] - [ -0.0005109100000000, -0.0002014400000000, 0.0000304000000000 ] - [ -0.0001505600000000, 0.0009204700000000, -0.0009126200000000 ] - [ 0.0015564800000000, -0.0015494400000000, -0.0003578900000000 ] - [ -0.0016609900000000, 0.0020755600000000, -0.0009282600000000 ] - [ -0.0003812400000000, 0.0001487700000000, -0.0003870000000000 ] - [ 0.0002124500000000, 0.0002332400000000, 0.0006791900000000 ] - [ 0.0000087300000000, -0.0001223800000000, 0.0005413500000000 ] - [ 0.0003359500000000, -0.0009494200000000, 0.0023823100000000 ] - [ -0.0007348600000000, -0.0012526300000000, 0.0013760000000000 ] - [ -0.0003661700000000, -0.0009167000000000, 0.0103676100000000 ] - [ 0.0005013700000000, 0.0002680300000000, 0.0010014300000000 ] - [ 0.0000063000000000, -0.0003851400000000, 0.0001565200000000 ] - [ 0.0000627000000000, -0.0002655300000000, -0.0001704100000000 ] - [ 0.0004384300000000, 0.0003709500000000, 0.0000790400000000 ] - [ 0.0008190400000000, 0.0000558300000000, 0.0002796200000000 ] - [ -0.0007443100000000, -0.0117997000000000, 0.0112497900000000 ] - [ 0.0017173700000000, -0.0017151300000000, -0.0002386300000000 ] - [ -0.0164414300000000, -0.0140338900000000, 0.0621390900000000 ] - [ -0.0000848300000000, -0.0005390900000000, 0.0007294200000000 ] - [ -0.0006769200000000, 0.0003600600000000, 0.0001899400000000 ] - [ -0.0006323700000000, 0.0001328900000000, 0.0002470600000000 ] - [ 0.0027379100000000, 0.0019057500000000, 0.0028503900000000 ] - [ -0.0006076800000000, 0.0012374600000000, 0.0015086100000000 ] - [ 0.0003432700000000, -0.0004478900000000, 0.0003165200000000 ] - [ 0.0001469300000000, -0.0002988500000000, 0.0003037100000000 ] - [ -0.0036975400000000, -0.0026119600000000, 0.0012900300000000 ] - [ 0.0011937000000000, -0.0002722800000000, 0.0033039200000000 ] - [ -0.0008537100000000, 0.0001039800000000, -0.0001269000000000 ] - [ -0.0005316100000000, 0.0000258300000000, -0.0001189100000000 ]- atom: 61 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ 0.0008426700000000, -0.0001612800000000, -0.0009293600000000 ] - [ -0.0002730700000000, -0.0006687500000000, -0.0011578500000000 ] - [ 0.0012883600000000, -0.0012977000000000, -0.0108658700000000 ] - [ -0.0017475100000000, -0.0039797900000000, -0.0224155600000000 ] - [ -0.0069029900000000, -0.0014308000000000, 0.0106893100000000 ] - [ 0.0031257700000000, -0.0006556200000000, 0.0086051500000000 ] - [ -0.0004429700000000, 0.0006429400000000, 0.0004388600000000 ] - [ -0.0001397500000000, 0.0006425000000000, 0.0003890400000000 ] - [ 0.0003322200000000, 0.0008695700000000, 0.0024937200000000 ] - [ -0.0004300500000000, 0.0004126900000000, 0.0038605000000000 ] - [ -0.0002522100000000, 0.0002789400000000, 0.0014053500000000 ] - [ 0.0006535000000000, -0.0000664800000000, 0.0026491600000000 ] - [ 0.0064009300000000, -0.0097816800000000, -0.0107869200000000 ] - [ -0.0008781900000000, -0.0055508000000000, -0.0042816600000000 ] - [ 0.0004369200000000, 0.0002367000000000, -0.0003264100000000 ] - [ -0.0007533600000000, 0.0000074600000000, 0.0001742100000000 ] - [ -0.0016350700000000, 0.0035747200000000, -0.0014480700000000 ] - [ 0.0007514700000000, 0.0005465700000000, -0.0012301700000000 ] - [ -0.0002177800000000, -0.0000263300000000, -0.0024764300000000 ] - [ 0.0000030800000000, -0.0000935200000000, -0.0005425500000000 ] - [ 0.0034223900000000, 0.0092877200000000, 0.0081806600000000 ] - [ -0.0004460000000000, 0.0005968200000000, 0.0009183800000000 ] - [ 0.0001256000000000, -0.0010475500000000, 0.0002682200000000 ] - [ -0.0000626200000000, -0.0004669800000000, 0.0002459000000000 ] - [ 0.0051911800000000, -0.0061405700000000, -0.0589001200000000 ] - [ 0.0031013200000000, -0.0007565700000000, -0.0012008500000000 ] - [ -0.0001895700000000, 0.0001371400000000, 0.0000701000000000 ] - [ -0.0001154400000000, -0.0000604400000000, 0.0000948900000000 ] - [ -0.0015308400000000, -0.0009353200000000, -0.0009839500000000 ] - [ 0.0004687000000000, -0.0003673900000000, 0.0004864000000000 ] - [ -0.0053949800000000, 0.0069490100000000, 0.0034111300000000 ] - [ -0.0005136000000000, 0.0010877900000000, 0.0003812700000000 ] - [ 0.0000815400000000, -0.0000771500000000, 0.0003215400000000 ] - [ 0.0002414600000000, -0.0002747200000000, 0.0002096700000000 ] - [ 0.0006369800000000, 0.0003825100000000, 0.0030246600000000 ] - [ 0.0003398000000000, -0.0002011900000000, 0.0010973200000000 ] - [ -0.0093490100000000, -0.0047921600000000, 0.0114641000000000 ] - [ 0.0016235800000000, 0.0011676400000000, 0.0024467600000000 ] - [ 0.0002653300000000, 0.0001333700000000, 0.0005521900000000 ] - [ 0.0003235500000000, -0.0000414100000000, 0.0004072600000000 ] - [ 0.0000236200000000, 0.0012246600000000, -0.0005926700000000 ] - [ -0.0000036400000000, 0.0002450100000000, -0.0004356800000000 ] - [ 0.0040043200000000, -0.0043144100000000, 0.0010642900000000 ] - [ -0.0002740300000000, -0.0014473000000000, -0.0004835200000000 ] - [ -0.0139534700000000, -0.0097784000000000, -0.0584386200000000 ] - [ -0.0018316000000000, 0.0028799100000000, -0.0030849400000000 ] - [ 0.0002379600000000, 0.0002181000000000, -0.0001167600000000 ] - [ 0.0002567100000000, 0.0001400100000000, -0.0000265900000000 ] - [ 0.0022274400000000, -0.0008700100000000, -0.0047262600000000 ] - [ 0.0006119700000000, -0.0006081600000000, -0.0020974900000000 ] - [ -0.0000459400000000, 0.0000861000000000, -0.0001983200000000 ] - [ -0.0000447000000000, 0.0001771500000000, -0.0001607600000000 ] - [ 0.0012893400000000, 0.0024159500000000, -0.0013452200000000 ] - [ 0.0006175600000000, 0.0004342000000000, -0.0002123500000000 ] - [ -0.0008562800000000, -0.0031995500000000, -0.0015359300000000 ] - [ 0.0008361500000000, -0.0001554400000000, 0.0000764300000000 ] - [ -0.0074992600000000, -0.0084923000000000, 0.0102332200000000 ] - [ -0.0007580800000000, -0.0016213800000000, 0.0030377500000000 ] - [ -0.0001824400000000, -0.0001845200000000, 0.0005166800000000 ] - [ -0.0002516800000000, -0.0000906100000000, 0.0002260300000000 ] - [ 0.0138822300000000, 0.0677916200000000, 0.2929146400000000 ] - [ 0.0000269900000000, 0.0004632500000000, 0.0022767200000000 ] - [ 0.0000993700000000, 0.0001954700000000, -0.0002002200000000 ] - [ 0.0000325600000000, 0.0001953100000000, -0.0002133700000000 ] - [ -0.0264630000000000, 0.0068344000000000, -0.0122149400000000 ] - [ 0.0082445300000000, 0.0014838900000000, -0.0026039400000000 ] - [ -0.0007710900000000, -0.0000912000000000, -0.0002760800000000 ] - [ -0.0007128000000000, 0.0000116000000000, -0.0002649500000000 ] - [ 0.0234034200000000, -0.0033663300000000, 0.0003767500000000 ] - [ -0.0150557300000000, -0.0028878900000000, -0.0020023300000000 ] - [ 0.0001580300000000, 0.0001028200000000, 0.0002928800000000 ] - [ 0.0001347500000000, 0.0001549700000000, 0.0002790700000000 ] - [ 0.0005594800000000, -0.0006872900000000, 0.0000503700000000 ] - [ 0.0005157800000000, 0.0001720300000000, 0.0004154800000000 ] - [ -0.0000792600000000, 0.0017225000000000, 0.0016413300000000 ] - [ -0.0000528000000000, 0.0003633000000000, 0.0009720000000000 ] - [ 0.0002089700000000, 0.0000179200000000, 0.0003068300000000 ] - [ -0.0003677900000000, 0.0002672700000000, 0.0001332600000000 ] - [ 0.0079923600000000, -0.0390138400000000, -0.0196770400000000 ] - [ -0.0005738300000000, -0.0015279100000000, 0.0004294500000000 ] - [ 0.0008314800000000, -0.0026182600000000, -0.0014838600000000 ] - [ 0.0002059500000000, -0.0004868400000000, -0.0001379300000000 ] - [ -0.0002573700000000, 0.0025579500000000, -0.0012974300000000 ] - [ 0.0002238700000000, 0.0007850000000000, -0.0002279100000000 ] - [ 0.0009030000000000, 0.0001605800000000, -0.0004828200000000 ] - [ 0.0004870800000000, 0.0002248700000000, -0.0006354800000000 ] - [ 0.0017191700000000, -0.0007477900000000, -0.0028813300000000 ] - [ 0.0003680700000000, -0.0000280300000000, -0.0010627800000000 ] - [ -0.0000215400000000, -0.0002548200000000, -0.0004650600000000 ] - [ -0.0002412500000000, -0.0001865300000000, -0.0003073100000000 ] - [ -0.0009917400000000, 0.0003440200000000, -0.0026141900000000 ] - [ -0.0004329300000000, 0.0008857600000000, -0.0012251200000000 ] - [ 0.0016752000000000, -0.0004235700000000, 0.0018789600000000 ] - [ -0.0006906200000000, 0.0000626200000000, 0.0003299000000000 ] - [ -0.0002970000000000, -0.0001936600000000, 0.0007425100000000 ] - [ -0.0000895800000000, 0.0003427800000000, 0.0000034300000000 ] - [ -0.0087246500000000, -0.0230347700000000, -0.0508158800000000 ] - [ -0.0009220400000000, -0.0011935900000000, -0.0000474700000000 ] - [ -0.0005468000000000, 0.0000522400000000, 0.0002757000000000 ] - [ -0.0006047600000000, -0.0000611900000000, 0.0002361200000000 ] - [ 0.0000655000000000, -0.0004675400000000, 0.0016608400000000 ] - [ -0.0016202400000000, 0.0019755700000000, 0.0011034800000000 ] - [ 0.0015736900000000, -0.0016215600000000, 0.0016800000000000 ] - [ 0.0002787300000000, 0.0002831200000000, 0.0011175700000000 ] - [ -0.0002992700000000, -0.0006878800000000, 0.0000766700000000 ] - [ -0.0000930900000000, -0.0003307400000000, 0.0002150100000000 ] - [ -0.0004210200000000, 0.0005062200000000, -0.0016264500000000 ] - [ 0.0006547500000000, 0.0008087300000000, -0.0006152800000000 ] - [ 0.0004608300000000, 0.0004398000000000, -0.0111180300000000 ] - [ -0.0004227600000000, -0.0007154700000000, -0.0017568400000000 ] - [ 0.0000792100000000, -0.0000637500000000, -0.0009134800000000 ] - [ 0.0000210400000000, -0.0001866500000000, -0.0005836300000000 ] - [ 0.0011055500000000, -0.0004365800000000, 0.0006689400000000 ] - [ 0.0007256900000000, -0.0001184400000000, 0.0004655100000000 ] - [ 0.0023251000000000, 0.0119685700000000, -0.0106835400000000 ] - [ -0.0001900700000000, 0.0016688900000000, 0.0009870300000000 ] - [ 0.0150161400000000, 0.0140317500000000, -0.0604133300000000 ] - [ -0.0010319900000000, 0.0008071500000000, -0.0004726200000000 ] - [ -0.0004367000000000, -0.0001028800000000, 0.0000731800000000 ] - [ -0.0004808000000000, 0.0001247800000000, 0.0000175700000000 ] - [ -0.0024870300000000, -0.0022838400000000, -0.0024556400000000 ] - [ 0.0008890600000000, -0.0016101200000000, -0.0011110100000000 ] - [ -0.0000739700000000, 0.0000762300000000, 0.0000794000000000 ] - [ 0.0001262600000000, -0.0000759300000000, 0.0000943200000000 ] - [ 0.0021198700000000, 0.0025332000000000, -0.0020398500000000 ] - [ -0.0027435800000000, 0.0002044700000000, -0.0040575100000000 ] - [ -0.0006904000000000, -0.0001660400000000, -0.0006191900000000 ] - [ -0.0010114900000000, -0.0000886000000000, -0.0006303200000000 ]- atom: 69 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ 0.0013520500000000, -0.0018522600000000, -0.0008200800000000 ] - [ -0.0005394400000000, 0.0001296500000000, -0.0000926800000000 ] - [ 0.0191747400000000, -0.0051297600000000, 0.0056393300000000 ] - [ -0.0140107900000000, -0.0068617200000000, 0.0088814100000000 ] - [ -0.0034078300000000, 0.0005375700000000, 0.0007694500000000 ] - [ 0.0031052600000000, -0.0008972400000000, -0.0026166300000000 ] - [ -0.0006310900000000, 0.0005595900000000, 0.0001918900000000 ] - [ 0.0000602900000000, 0.0005348000000000, 0.0001408700000000 ] - [ 0.0019883700000000, 0.0003459400000000, 0.0017363100000000 ] - [ -0.0013543600000000, 0.0022953900000000, -0.0013840600000000 ] - [ 0.0024226600000000, 0.0006566600000000, -0.0002346600000000 ] - [ -0.0018640800000000, -0.0001607300000000, -0.0018132400000000 ] - [ -0.0138944800000000, 0.0094814600000000, 0.0020357800000000 ] - [ 0.0123798500000000, -0.0058789800000000, 0.0036560000000000 ] - [ -0.0022152600000000, -0.0021490500000000, 0.0008516500000000 ] - [ 0.0016707400000000, 0.0005430900000000, 0.0012337500000000 ] - [ 0.0012869900000000, 0.0018898300000000, -0.0009235500000000 ] - [ -0.0025143800000000, 0.0000428100000000, 0.0002049300000000 ] - [ 0.0021589900000000, -0.0003036300000000, 0.0014615700000000 ] - [ -0.0028255700000000, 0.0000106900000000, -0.0010355500000000 ] - [ 0.0018130900000000, 0.0012084000000000, -0.0001147600000000 ] - [ -0.0016488700000000, -0.0008856300000000, -0.0001404900000000 ] - [ 0.0003284000000000, -0.0003879900000000, 0.0000352400000000 ] - [ -0.0006237500000000, 0.0002079400000000, 0.0000811800000000 ] - [ 0.1813725800000000, 0.0035392000000000, 0.0158344400000000 ] - [ -0.0127638700000000, -0.0004268700000000, 0.0018812600000000 ] - [ 0.0003127400000000, 0.0000863200000000, 0.0002691500000000 ] - [ -0.0005390400000000, -0.0000772900000000, 0.0002246400000000 ] - [ 0.0017109500000000, 0.0010444400000000, 0.0008098500000000 ] - [ -0.0025310000000000, -0.0011379500000000, -0.0011742400000000 ] - [ 0.0065680200000000, -0.0118975800000000, -0.0057076600000000 ] - [ -0.0034357000000000, 0.0061418500000000, 0.0034306300000000 ] - [ 0.0003801300000000, -0.0001246500000000, -0.0001240900000000 ] - [ -0.0001025600000000, -0.0002983300000000, -0.0000366100000000 ] - [ 0.0011589300000000, -0.0008573900000000, -0.0023586500000000 ] - [ -0.0010537800000000, -0.0001197200000000, 0.0003644500000000 ] - [ 0.0101576100000000, 0.0046972700000000, -0.0106014200000000 ] - [ -0.0045059800000000, -0.0020415400000000, 0.0048404200000000 ] - [ 0.0007006100000000, -0.0002893400000000, 0.0001354600000000 ] - [ -0.0002204600000000, -0.0002144900000000, 0.0001996700000000 ] - [ 0.0001583700000000, 0.0004062900000000, -0.0001812600000000 ] - [ -0.0006099700000000, -0.0003717800000000, -0.0004182700000000 ] - [ 0.0018447400000000, -0.0016313300000000, -0.0008734400000000 ] - [ -0.0034040500000000, 0.0021875500000000, -0.0006711500000000 ] - [ 0.0117129900000000, 0.0040242200000000, 0.0103518500000000 ] - [ -0.0070517800000000, -0.0037279700000000, -0.0069617900000000 ] - [ 0.0006080400000000, 0.0000368200000000, 0.0001774600000000 ] - [ -0.0000664500000000, 0.0003390400000000, -0.0000155000000000 ] - [ -0.0028099900000000, 0.0004714300000000, 0.0027476300000000 ] - [ 0.0015676600000000, 0.0001954100000000, -0.0009558900000000 ] - [ -0.0002747900000000, 0.0001777200000000, 0.0000609600000000 ] - [ 0.0000647800000000, 0.0002639700000000, -0.0000311100000000 ] - [ 0.0003861900000000, -0.0024610400000000, 0.0013475300000000 ] - [ 0.0034292800000000, 0.0034477100000000, -0.0033737800000000 ] - [ 0.0019541700000000, 0.0038437200000000, 0.0021895700000000 ] - [ 0.0001168700000000, -0.0013385300000000, -0.0007002200000000 ] - [ -0.0045357700000000, -0.0045316800000000, -0.0010016400000000 ] - [ 0.0036330400000000, 0.0014905100000000, -0.0013120700000000 ] - [ -0.0007384400000000, -0.0000175300000000, -0.0000495800000000 ] - [ 0.0009994500000000, -0.0005655300000000, -0.0000181900000000 ] - [ 0.0356892300000000, -0.0092926900000000, -0.0234958300000000 ] - [ 0.0256172300000000, 0.0060440700000000, 0.0150053200000000 ] - [ -0.0001031000000000, 0.0002591700000000, -0.0004026100000000 ] - [ 0.0001637200000000, 0.0001897000000000, -0.0003750200000000 ] - [ -0.0080897400000000, 0.0021892800000000, 0.0007505700000000 ] - [ 0.0051229900000000, -0.0016844800000000, -0.0001347400000000 ] - [ -0.0010204100000000, 0.0001576200000000, -0.0003005100000000 ] - [ -0.0005205000000000, -0.0001069800000000, -0.0003180600000000 ] - [ -0.3501779600000000, 0.0092157800000000, -0.0374503200000000 ] - [ 0.0097313000000000, 0.0003603200000000, 0.0010947100000000 ] - [ -0.0002508900000000, 0.0001566600000000, 0.0000913200000000 ] - [ 0.0005299900000000, 0.0003388700000000, 0.0002370300000000 ] - [ -0.0000638500000000, -0.0006158700000000, -0.0000110900000000 ] - [ 0.0014586700000000, 0.0005451100000000, -0.0000269400000000 ] - [ -0.0033248300000000, -0.0008910800000000, 0.0008544600000000 ] - [ 0.0031304300000000, 0.0009076100000000, -0.0009622100000000 ] - [ -0.0004243500000000, -0.0003359400000000, -0.0001709700000000 ] - [ 0.0005735000000000, 0.0003664000000000, 0.0001179400000000 ] - [ 0.0352789000000000, 0.0280269600000000, 0.0012062100000000 ] - [ 0.0150333700000000, -0.0084193400000000, -0.0038634600000000 ] - [ -0.0001737100000000, -0.0007245300000000, 0.0002618100000000 ] - [ 0.0003146000000000, 0.0005062100000000, -0.0000053300000000 ] - [ -0.0003744400000000, 0.0007004200000000, 0.0001948700000000 ] - [ 0.0004804400000000, -0.0007318100000000, 0.0004716700000000 ] - [ -0.0001485000000000, -0.0000496500000000, -0.0000536000000000 ] - [ 0.0017504700000000, 0.0000023200000000, -0.0006164600000000 ] - [ -0.0019120400000000, 0.0013044100000000, 0.0022821500000000 ] - [ 0.0022132900000000, -0.0007562200000000, -0.0013382200000000 ] - [ -0.0002296500000000, -0.0004095300000000, -0.0001335700000000 ] - [ -0.0000965300000000, 0.0000008300000000, -0.0003358800000000 ] - [ 0.0002192300000000, 0.0003322400000000, 0.0008923100000000 ] - [ -0.0002230200000000, -0.0004525900000000, -0.0004572700000000 ] - [ -0.0007522700000000, -0.0016589400000000, -0.0007924100000000 ] - [ 0.0024297400000000, 0.0027300500000000, 0.0021956100000000 ] - [ -0.0007484600000000, 0.0024994600000000, -0.0009576400000000 ] - [ 0.0024221800000000, -0.0047084200000000, -0.0017755100000000 ] - [ -0.0019159200000000, -0.0008194100000000, -0.0021091100000000 ] - [ 0.0003174600000000, 0.0007686000000000, 0.0017077500000000 ] - [ -0.0006914300000000, 0.0000017100000000, 0.0001986000000000 ] - [ -0.0004327100000000, -0.0002515600000000, 0.0002425000000000 ] - [ -0.0024002800000000, 0.0009714100000000, 0.0005182200000000 ] - [ 0.0016170500000000, -0.0005152700000000, 0.0003451100000000 ] - [ -0.0047057400000000, 0.0019794900000000, -0.0014867400000000 ] - [ 0.0035252500000000, -0.0011680200000000, 0.0009761400000000 ] - [ -0.0003482000000000, -0.0002729900000000, 0.0002594700000000 ] - [ 0.0002595000000000, -0.0002446000000000, 0.0004863000000000 ] - [ -0.0011184000000000, -0.0001097500000000, 0.0012223000000000 ] - [ 0.0013707800000000, -0.0002730400000000, 0.0006902000000000 ] - [ -0.0005236800000000, -0.0018570700000000, 0.0022398100000000 ] - [ 0.0004992000000000, 0.0002271700000000, -0.0011171400000000 ] - [ -0.0000821200000000, 0.0000739000000000, -0.0001696800000000 ] - [ 0.0001008000000000, -0.0003338900000000, -0.0003656300000000 ] - [ 0.0008558000000000, -0.0002412200000000, 0.0003691200000000 ] - [ 0.0007646000000000, 0.0001466900000000, 0.0005532800000000 ] - [ -0.0001432000000000, 0.0010688100000000, -0.0017012200000000 ] - [ 0.0047892500000000, 0.0009282800000000, 0.0062920100000000 ] - [ 0.0336704500000000, -0.0220324700000000, 0.0212330600000000 ] - [ 0.0100986600000000, 0.0029364800000000, -0.0064570700000000 ] - [ -0.0007524800000000, 0.0004437100000000, 0.0000459600000000 ] - [ -0.0003878400000000, 0.0000885400000000, 0.0000404100000000 ] - [ -0.0013676400000000, -0.0004422800000000, -0.0001584100000000 ] - [ 0.0013913100000000, -0.0002289300000000, 0.0005311300000000 ] - [ -0.0002100700000000, -0.0001887600000000, 0.0001989800000000 ] - [ 0.0005796400000000, -0.0000388800000000, 0.0004085700000000 ] - [ -0.0070744100000000, -0.0019785300000000, -0.0027156500000000 ] - [ 0.0038733300000000, 0.0008420500000000, 0.0009658200000000 ] - [ -0.0013549200000000, 0.0001066400000000, -0.0007394300000000 ] - [ -0.0001341000000000, 0.0002180100000000, -0.0002250200000000 ]- atom: 69 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ -0.0007662400000000, 0.0006465300000000, 0.0002633700000000 ] - [ 0.0011202400000000, -0.0013159700000000, -0.0004621300000000 ] - [ -0.0186918500000000, 0.0043813000000000, -0.0066883000000000 ] - [ 0.0145179100000000, 0.0055942000000000, -0.0093700800000000 ] - [ 0.0028262700000000, 0.0006563200000000, -0.0001842100000000 ] - [ -0.0037161900000000, 0.0020746000000000, 0.0031412600000000 ] - [ 0.0000468400000000, 0.0006320500000000, 0.0003670300000000 ] - [ -0.0006430800000000, 0.0006562000000000, 0.0004179600000000 ] - [ -0.0014130000000000, 0.0008329800000000, -0.0022756600000000 ] - [ 0.0019364100000000, -0.0010830300000000, 0.0008106000000000 ] - [ -0.0018470100000000, 0.0005542700000000, -0.0003164500000000 ] - [ 0.0024447100000000, 0.0013492700000000, 0.0012429700000000 ] - [ 0.0132478100000000, -0.0105848600000000, -0.0014911900000000 ] - [ -0.0131389700000000, 0.0042101700000000, -0.0030650700000000 ] - [ 0.0016270300000000, 0.0009359500000000, -0.0002976100000000 ] - [ -0.0022545000000000, -0.0017240100000000, -0.0006712700000000 ] - [ -0.0010303900000000, -0.0016692800000000, 0.0006003300000000 ] - [ 0.0027002100000000, 0.0002323900000000, -0.0005471000000000 ] - [ -0.0019113900000000, 0.0005520000000000, -0.0018198400000000 ] - [ 0.0030168200000000, 0.0002336600000000, 0.0006929700000000 ] - [ -0.0020113100000000, -0.0014580800000000, 0.0004585600000000 ] - [ 0.0014170800000000, 0.0006336100000000, 0.0004889600000000 ] - [ -0.0005446300000000, 0.0001325700000000, 0.0003106400000000 ] - [ 0.0003987300000000, -0.0004610500000000, 0.0002654200000000 ] - [ -0.1661635700000000, -0.0029044300000000, -0.0139266800000000 ] - [ 0.0124857400000000, 0.0006750700000000, -0.0015448600000000 ] - [ -0.0005287400000000, 0.0001678700000000, 0.0000763800000000 ] - [ 0.0003133700000000, 0.0003305500000000, 0.0001207000000000 ] - [ -0.0021904900000000, -0.0008328500000000, -0.0011600900000000 ] - [ 0.0020094300000000, 0.0013354900000000, 0.0008122500000000 ] - [ -0.0069625300000000, 0.0120508600000000, 0.0053259600000000 ] - [ 0.0029103100000000, -0.0059529000000000, -0.0038058300000000 ] - [ -0.0001552800000000, -0.0001309100000000, -0.0002206100000000 ] - [ 0.0003188300000000, 0.0000444900000000, -0.0003082200000000 ] - [ -0.0009055200000000, 0.0006082600000000, 0.0020166900000000 ] - [ 0.0012502600000000, -0.0001397500000000, -0.0007168200000000 ] - [ -0.0095424700000000, -0.0048981200000000, 0.0109286300000000 ] - [ 0.0049755100000000, 0.0018331300000000, -0.0045104000000000 ] - [ -0.0001943900000000, 0.0000864800000000, 0.0002168800000000 ] - [ 0.0007140600000000, 0.0000074800000000, 0.0001512800000000 ] - [ -0.0006475200000000, -0.0006085900000000, -0.0001766000000000 ] - [ 0.0001053400000000, 0.0001673600000000, 0.0000647900000000 ] - [ -0.0023144100000000, 0.0014213100000000, 0.0005360800000000 ] - [ 0.0028678400000000, -0.0023697300000000, 0.0003199200000000 ] - [ -0.0110283500000000, -0.0038122500000000, -0.0099902500000000 ] - [ 0.0075061000000000, 0.0039520200000000, 0.0073377900000000 ] - [ -0.0001045700000000, 0.0001669600000000, 0.0001753500000000 ] - [ 0.0005599200000000, -0.0001375700000000, 0.0003676700000000 ] - [ 0.0025965000000000, -0.0001686100000000, -0.0027605800000000 ] - [ -0.0017439000000000, 0.0001069400000000, 0.0009721500000000 ] - [ 0.0000910900000000, 0.0001214300000000, -0.0000476700000000 ] - [ -0.0002433200000000, 0.0000361800000000, 0.0000443400000000 ] - [ 0.0011452800000000, 0.0024989200000000, -0.0005940000000000 ] - [ -0.0018756400000000, -0.0033636400000000, 0.0040928600000000 ] - [ -0.0004129100000000, -0.0037547500000000, -0.0014269200000000 ] - [ 0.0014368100000000, 0.0014018300000000, 0.0014456600000000 ] - [ 0.0042728000000000, 0.0043378600000000, 0.0010537200000000 ] - [ -0.0037946600000000, -0.0018077500000000, 0.0013179900000000 ] - [ 0.0005498900000000, -0.0002834500000000, 0.0000675800000000 ] - [ -0.0011725600000000, 0.0002710500000000, 0.0000274700000000 ] - [ -0.0348911400000000, 0.0095368200000000, 0.0222153700000000 ] - [ -0.0259418800000000, -0.0056981900000000, -0.0160633200000000 ] - [ 0.0001844100000000, 0.0001911300000000, -0.0003539000000000 ] - [ -0.0000757000000000, 0.0002597100000000, -0.0003783900000000 ] - [ 0.0065237700000000, -0.0021231200000000, -0.0012731300000000 ] - [ -0.0066514100000000, 0.0017392600000000, -0.0006467700000000 ] - [ -0.0005232600000000, -0.0000944800000000, -0.0004420200000000 ] - [ -0.0010209600000000, 0.0001678000000000, -0.0004259300000000 ] - [ 0.3342350900000000, -0.0092617800000000, 0.0367433100000000 ] - [ -0.0094263700000000, 0.0000132600000000, -0.0006840500000000 ] - [ 0.0005189100000000, 0.0002150700000000, 0.0003037600000000 ] - [ -0.0002541700000000, 0.0000363700000000, 0.0001588100000000 ] - [ 0.0011748300000000, 0.0008910200000000, -0.0002491600000000 ] - [ -0.0003345600000000, -0.0002861100000000, -0.0002401000000000 ] - [ 0.0044452700000000, 0.0011512600000000, -0.0011195300000000 ] - [ -0.0019899600000000, -0.0006383900000000, 0.0006819600000000 ] - [ 0.0006005300000000, 0.0000341200000000, 0.0001567900000000 ] - [ -0.0003835200000000, -0.0006608000000000, -0.0001300400000000 ] - [ -0.0345431000000000, -0.0278102200000000, -0.0011571200000000 ] - [ -0.0150276900000000, 0.0082815400000000, 0.0038994800000000 ] - [ 0.0003502100000000, 0.0010178700000000, -0.0002703700000000 ] - [ -0.0001264200000000, -0.0002093400000000, -0.0000079500000000 ] - [ 0.0005472300000000, -0.0003971100000000, -0.0002107600000000 ] - [ -0.0002909800000000, 0.0010250000000000, -0.0004841300000000 ] - [ 0.0012555500000000, -0.0002061600000000, -0.0002101900000000 ] - [ -0.0006248500000000, -0.0002639400000000, 0.0003489700000000 ] - [ 0.0029956700000000, -0.0015847400000000, -0.0025610600000000 ] - [ -0.0010921000000000, 0.0004963200000000, 0.0010805000000000 ] - [ -0.0000467100000000, 0.0000353500000000, -0.0002610200000000 ] - [ -0.0001732400000000, -0.0003683900000000, -0.0000614100000000 ] - [ -0.0005072700000000, -0.0007005200000000, -0.0012893900000000 ] - [ -0.0000339600000000, 0.0000688800000000, 0.0000701500000000 ] - [ 0.0004578400000000, 0.0020177100000000, 0.0003837000000000 ] - [ -0.0026751500000000, -0.0023370400000000, -0.0025600000000000 ] - [ 0.0004616300000000, -0.0021007000000000, 0.0005607400000000 ] - [ -0.0026872600000000, 0.0050472500000000, 0.0013667100000000 ] - [ 0.0007718700000000, 0.0005503600000000, 0.0023543400000000 ] - [ -0.0014083500000000, -0.0010244900000000, -0.0014577900000000 ] - [ -0.0004259700000000, -0.0002606100000000, 0.0000659600000000 ] - [ -0.0006798400000000, -0.0000088700000000, 0.0000218300000000 ] - [ 0.0023194500000000, -0.0005175200000000, 0.0002318000000000 ] - [ -0.0016856100000000, 0.0009522800000000, 0.0004106100000000 ] - [ 0.0045834000000000, -0.0015498800000000, 0.0022494700000000 ] - [ -0.0036030100000000, 0.0016382700000000, -0.0002218100000000 ] - [ 0.0002608400000000, -0.0001746800000000, 0.0004950600000000 ] - [ -0.0003414900000000, -0.0002051700000000, 0.0002690900000000 ] - [ 0.0010243000000000, -0.0003516900000000, -0.0004694700000000 ] - [ -0.0014412400000000, -0.0001756700000000, 0.0000650300000000 ] - [ 0.0005938200000000, 0.0013981600000000, -0.0029761800000000 ] - [ -0.0004018600000000, -0.0006721200000000, 0.0003683200000000 ] - [ 0.0001644100000000, -0.0005200300000000, -0.0005844600000000 ] - [ -0.0000144900000000, -0.0001168400000000, -0.0003877800000000 ] - [ 0.0006837900000000, 0.0001800800000000, 0.0003735000000000 ] - [ 0.0007801200000000, -0.0002059500000000, 0.0001910600000000 ] - [ 0.0016640000000000, -0.0011200800000000, 0.0024130900000000 ] - [ -0.0032192300000000, -0.0009633400000000, -0.0054783800000000 ] - [ -0.0342911500000000, 0.0219215000000000, -0.0205646200000000 ] - [ -0.0113269200000000, -0.0027323400000000, 0.0068064900000000 ] - [ -0.0003685000000000, -0.0001812700000000, 0.0002210100000000 ] - [ -0.0007237700000000, 0.0001717400000000, 0.0002236200000000 ] - [ 0.0016281200000000, 0.0000773300000000, 0.0005534000000000 ] - [ -0.0011115900000000, -0.0001460700000000, -0.0001340500000000 ] - [ 0.0004784800000000, -0.0001835300000000, 0.0001953200000000 ] - [ -0.0003045400000000, -0.0003318700000000, -0.0000110100000000 ] - [ 0.0055003600000000, 0.0019604600000000, 0.0019346400000000 ] - [ -0.0054005900000000, -0.0009134400000000, -0.0016811900000000 ] - [ -0.0001904600000000, -0.0001712500000000, -0.0000064000000000 ] - [ -0.0014034200000000, -0.0002761600000000, -0.0005147500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005929200000000, -0.0075402200000000, -0.0007438100000000 ] - [ 0.0005028300000000, -0.0047979500000000, -0.0004277500000000 ] - [ -0.0035181000000000, 0.0348236700000000, -0.0063660500000000 ] - [ -0.0038729100000000, 0.0055612100000000, 0.0054503000000000 ] - [ 0.0002316900000000, 0.0057564200000000, 0.0012546000000000 ] - [ -0.0026625400000000, 0.0082798600000000, 0.0038890000000000 ] - [ -0.0002880000000000, -0.0029581100000000, 0.0003134800000000 ] - [ -0.0000903200000000, -0.0034750600000000, 0.0003246700000000 ] - [ -0.0005528500000000, -0.0021487800000000, 0.0056318000000000 ] - [ 0.0005667800000000, -0.0003573200000000, 0.0016178400000000 ] - [ 0.0013469800000000, -0.0014549700000000, -0.0023608500000000 ] - [ -0.0003856600000000, -0.0003429100000000, -0.0020790800000000 ] - [ 0.0044744600000000, -0.0000784200000000, -0.0025372400000000 ] - [ -0.0100256700000000, 0.0092941900000000, 0.0010258200000000 ] - [ -0.0010883300000000, -0.0053604900000000, -0.0001338300000000 ] - [ 0.0008834700000000, -0.0076678000000000, -0.0014545500000000 ] - [ 0.0036124300000000, -0.0059953200000000, 0.0005423300000000 ] - [ -0.0044352300000000, 0.0008825200000000, -0.0007172100000000 ] - [ -0.0019922100000000, -0.0037120200000000, 0.0024237300000000 ] - [ 0.0028882700000000, -0.0010549200000000, 0.0005221500000000 ] - [ 0.0001746100000000, 0.0005070600000000, 0.0007832700000000 ] - [ -0.0004084100000000, 0.0011764700000000, 0.0011498400000000 ] - [ -0.0002595500000000, -0.0015411100000000, 0.0000873800000000 ] - [ 0.0001600800000000, -0.0017670800000000, 0.0000328600000000 ] - [ 0.0020415300000000, 0.0574333800000000, -0.0057036400000000 ] - [ -0.0002210900000000, 0.0091995700000000, -0.0014105400000000 ] - [ -0.0001463500000000, -0.0024269000000000, 0.0003173200000000 ] - [ -0.0003429700000000, -0.0026648000000000, 0.0003195900000000 ] - [ 0.0016445900000000, -0.0022929500000000, 0.0008466400000000 ] - [ -0.0030953200000000, -0.0033693200000000, -0.0014329800000000 ] - [ -0.0025037900000000, -0.0064918500000000, -0.0064777300000000 ] - [ 0.0009770500000000, -0.0023505100000000, -0.0026024500000000 ] - [ 0.0004316700000000, -0.0024233600000000, 0.0004040700000000 ] - [ -0.0002117800000000, -0.0022278600000000, 0.0004200100000000 ] - [ -0.0007040400000000, 0.0045459700000000, -0.0020350200000000 ] - [ 0.0009375900000000, 0.0025478300000000, -0.0000381300000000 ] - [ 0.0014878400000000, 0.0035589800000000, 0.0079030100000000 ] - [ -0.0009615200000000, 0.0018027000000000, 0.0034328600000000 ] - [ -0.0000911900000000, -0.0024890100000000, -0.0004838100000000 ] - [ 0.0003569100000000, -0.0019747700000000, -0.0003235300000000 ] - [ 0.0008436400000000, -0.0012955200000000, -0.0012841900000000 ] - [ -0.0003384700000000, -0.0012435900000000, -0.0008354800000000 ] - [ -0.0023490100000000, 0.0009525100000000, 0.0025447300000000 ] - [ 0.0032777400000000, -0.0029564100000000, 0.0015293700000000 ] - [ 0.0014225200000000, 0.0099212500000000, -0.0065961900000000 ] - [ -0.0000392500000000, 0.0022702500000000, -0.0014628500000000 ] - [ -0.0000247900000000, -0.0028119300000000, 0.0009967200000000 ] - [ 0.0002438000000000, -0.0021912800000000, 0.0007243000000000 ] - [ 0.0005355900000000, -0.0040643300000000, -0.0023106700000000 ] - [ 0.0002168800000000, -0.0024440900000000, -0.0012630800000000 ] - [ -0.0001347500000000, 0.0022481500000000, 0.0004269400000000 ] - [ -0.0000591300000000, 0.0020130900000000, 0.0003430000000000 ] - [ -0.0000602600000000, 0.0007794200000000, -0.0003396200000000 ] - [ 0.0051312100000000, 0.0061734300000000, -0.0059887500000000 ] - [ 0.0026600600000000, 0.0026289200000000, 0.0021048700000000 ] - [ 0.0006809100000000, 0.0009937800000000, 0.0013645900000000 ] - [ -0.0080400500000000, 0.0126290200000000, 0.0132362100000000 ] - [ -0.0002302100000000, -0.0022998900000000, 0.0009494900000000 ] - [ 0.0003286200000000, 0.0031981700000000, -0.0013465700000000 ] - [ -0.0005529200000000, 0.0020077100000000, -0.0005682000000000 ] - [ -0.0085160100000000, -0.0085164900000000, 0.0031795900000000 ] - [ 0.0039755900000000, -0.0062731600000000, 0.0027277300000000 ] - [ 0.0002680300000000, 0.0020330900000000, -0.0002926800000000 ] - [ 0.0001298800000000, 0.0022763900000000, -0.0003471700000000 ] - [ 0.0018669100000000, -0.0083316200000000, -0.0019882800000000 ] - [ -0.0000965300000000, -0.0023059300000000, -0.0001732100000000 ] - [ -0.0015469100000000, 0.0020326200000000, -0.0002577700000000 ] - [ -0.0013551200000000, 0.0014993000000000, -0.0003249500000000 ] - [ 0.0106191900000000, -0.1305329000000000, 0.0193439600000000 ] - [ 0.0002769100000000, -0.0047352300000000, 0.0012942600000000 ] - [ 0.0001092300000000, 0.0028443300000000, -0.0004858200000000 ] - [ 0.0002858100000000, 0.0023362300000000, -0.0002515100000000 ] - [ 0.0003808000000000, 0.0033989700000000, 0.0014213300000000 ] - [ 0.0019583600000000, 0.0013038700000000, 0.0006531800000000 ] - [ 0.0033470600000000, 0.0017706000000000, -0.0033448800000000 ] - [ -0.0004341200000000, 0.0002865600000000, -0.0002184700000000 ] - [ -0.0003965700000000, 0.0022349200000000, 0.0003436600000000 ] - [ 0.0005989200000000, 0.0026713400000000, 0.0004620600000000 ] - [ 0.0355797800000000, 0.0090854500000000, 0.0017328600000000 ] - [ -0.0108143400000000, -0.0010152700000000, 0.0026597000000000 ] - [ 0.0000676600000000, 0.0003606200000000, -0.0000332100000000 ] - [ 0.0008501800000000, -0.0000624600000000, -0.0003969200000000 ] - [ 0.0004843200000000, 0.0007657200000000, -0.0006112100000000 ] - [ -0.0004298400000000, 0.0015636500000000, -0.0006918400000000 ] - [ -0.0002111500000000, 0.0017596300000000, -0.0009853700000000 ] - [ 0.0017408100000000, 0.0014141400000000, -0.0012545400000000 ] - [ 0.0011105700000000, 0.0013084200000000, 0.0049519300000000 ] - [ 0.0001092700000000, -0.0004849400000000, 0.0011679600000000 ] - [ -0.0003566900000000, 0.0012325100000000, -0.0006723300000000 ] - [ 0.0000478700000000, 0.0018216600000000, -0.0008588100000000 ] - [ 0.0003730300000000, -0.0022770900000000, 0.0005524300000000 ] - [ -0.0003923700000000, -0.0015895700000000, -0.0007103100000000 ] - [ -0.0024218000000000, 0.0018351200000000, -0.0001771800000000 ] - [ 0.0047122000000000, 0.0058015200000000, 0.0056020800000000 ] - [ 0.0017105800000000, 0.0018171100000000, -0.0004370100000000 ] - [ -0.0026803800000000, 0.0058462200000000, 0.0014518000000000 ] - [ -0.0012286100000000, -0.0023424500000000, 0.0006452600000000 ] - [ -0.0010233000000000, -0.0022559300000000, 0.0000939500000000 ] - [ -0.0001568800000000, 0.0011729600000000, 0.0000874900000000 ] - [ -0.0002515900000000, 0.0012298000000000, 0.0001543400000000 ] - [ -0.0018929200000000, 0.0036638700000000, -0.0000105300000000 ] - [ 0.0010542000000000, 0.0009582200000000, 0.0005480200000000 ] - [ 0.0021036300000000, 0.0082327800000000, -0.0002194800000000 ] - [ -0.0010650600000000, 0.0015844600000000, 0.0002386500000000 ] - [ -0.0001906300000000, 0.0010891500000000, 0.0004406300000000 ] - [ 0.0001834900000000, 0.0007944800000000, 0.0003765900000000 ] - [ 0.0002871000000000, -0.0018359500000000, -0.0001487000000000 ] - [ -0.0014077500000000, -0.0011011400000000, -0.0007117200000000 ] - [ -0.0006878300000000, -0.0008163900000000, -0.0024901100000000 ] - [ 0.0004159100000000, -0.0016611400000000, -0.0017929200000000 ] - [ 0.0000955900000000, 0.0010439900000000, -0.0001156200000000 ] - [ -0.0001182600000000, 0.0011782700000000, -0.0002674000000000 ] - [ 0.0000513300000000, 0.0012870400000000, 0.0007158100000000 ] - [ 0.0005609100000000, 0.0013382800000000, 0.0009927100000000 ] - [ 0.0017812600000000, -0.0019029800000000, -0.0007101100000000 ] - [ -0.0043206900000000, -0.0044035300000000, -0.0119312800000000 ] - [ -0.0249575500000000, 0.0007778900000000, -0.0103151800000000 ] - [ 0.0065560900000000, -0.0040369800000000, -0.0019834600000000 ] - [ -0.0009590800000000, 0.0018061300000000, -0.0000614100000000 ] - [ -0.0012834500000000, 0.0018717200000000, 0.0001514700000000 ] - [ 0.0004023900000000, -0.0024177100000000, -0.0009636600000000 ] - [ 0.0001734900000000, -0.0014744600000000, -0.0004046500000000 ] - [ 0.0001394200000000, 0.0014199200000000, 0.0005281400000000 ] - [ -0.0000119000000000, 0.0012372300000000, 0.0004859600000000 ] - [ -0.0028057600000000, 0.0048454300000000, -0.0091384800000000 ] - [ -0.0009306400000000, 0.0001017000000000, -0.0015419200000000 ] - [ -0.0002558300000000, 0.0015142800000000, 0.0006190100000000 ] - [ -0.0001742100000000, 0.0010110800000000, 0.0001085300000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000178900000000, 0.0063895000000000, 0.0001906000000000 ] - [ 0.0000834900000000, 0.0036082800000000, -0.0001315300000000 ] - [ 0.0032366700000000, -0.0350792500000000, 0.0048228500000000 ] - [ 0.0045660700000000, -0.0066689500000000, -0.0060757300000000 ] - [ -0.0007873600000000, -0.0045703000000000, -0.0007063000000000 ] - [ 0.0020137600000000, -0.0070807000000000, -0.0033196200000000 ] - [ -0.0002947800000000, 0.0041600800000000, 0.0002489700000000 ] - [ -0.0004952800000000, 0.0046824400000000, 0.0002392400000000 ] - [ 0.0011307300000000, 0.0033414700000000, -0.0062393700000000 ] - [ 0.0000270400000000, 0.0015236600000000, -0.0021695900000000 ] - [ -0.0007799000000000, 0.0026742300000000, 0.0018107300000000 ] - [ 0.0009846100000000, 0.0015568300000000, 0.0015369500000000 ] - [ -0.0049529500000000, -0.0012332400000000, 0.0030915800000000 ] - [ 0.0085838400000000, -0.0121552000000000, -0.0004219600000000 ] - [ 0.0005104200000000, 0.0041926800000000, 0.0006843600000000 ] - [ -0.0014502000000000, 0.0064693200000000, 0.0019988000000000 ] - [ -0.0034308400000000, 0.0062798700000000, -0.0009002200000000 ] - [ 0.0047140100000000, -0.0006433500000000, 0.0003728600000000 ] - [ 0.0021742200000000, 0.0039660200000000, -0.0027529600000000 ] - [ -0.0026521500000000, 0.0013151900000000, -0.0008705800000000 ] - [ -0.0004155400000000, -0.0007896500000000, -0.0004334700000000 ] - [ 0.0002005500000000, -0.0014414900000000, -0.0008024100000000 ] - [ 0.0000350600000000, 0.0012959200000000, 0.0002623900000000 ] - [ -0.0003758300000000, 0.0015161400000000, 0.0003155400000000 ] - [ -0.0028532100000000, -0.0573810200000000, 0.0059494500000000 ] - [ 0.0000464400000000, -0.0089572300000000, 0.0017460400000000 ] - [ -0.0000800000000000, 0.0026871600000000, 0.0000257400000000 ] - [ 0.0001281100000000, 0.0029300400000000, 0.0000245600000000 ] - [ -0.0021778500000000, 0.0024936900000000, -0.0012190400000000 ] - [ 0.0026380600000000, 0.0035940100000000, 0.0010919000000000 ] - [ 0.0019339600000000, 0.0068304500000000, 0.0061374600000000 ] - [ -0.0014608100000000, 0.0025457600000000, 0.0022443400000000 ] - [ -0.0002177900000000, 0.0021751700000000, -0.0007516700000000 ] - [ 0.0004381500000000, 0.0019798900000000, -0.0007672100000000 ] - [ 0.0009344900000000, -0.0047688300000000, 0.0017227300000000 ] - [ -0.0007192400000000, -0.0028040900000000, -0.0003060900000000 ] - [ -0.0010680600000000, -0.0038738400000000, -0.0074578100000000 ] - [ 0.0014848800000000, -0.0020002500000000, -0.0030975300000000 ] - [ 0.0005855100000000, 0.0022919600000000, 0.0008358800000000 ] - [ 0.0001472000000000, 0.0017790600000000, 0.0006750700000000 ] - [ -0.0013548300000000, 0.0010887700000000, 0.0009430500000000 ] - [ -0.0001540100000000, 0.0010422600000000, 0.0004909800000000 ] - [ 0.0018333100000000, -0.0011297900000000, -0.0028777600000000 ] - [ -0.0037407600000000, 0.0027287300000000, -0.0018800900000000 ] - [ -0.0010023100000000, -0.0098697900000000, 0.0068361600000000 ] - [ 0.0005739200000000, -0.0020653100000000, 0.0018403900000000 ] - [ 0.0005146200000000, 0.0030180100000000, -0.0006435000000000 ] - [ 0.0002588700000000, 0.0024013000000000, -0.0003713600000000 ] - [ -0.0007105400000000, 0.0043745000000000, 0.0022568100000000 ] - [ -0.0004129400000000, 0.0027446400000000, 0.0012809400000000 ] - [ -0.0000434300000000, -0.0019539600000000, -0.0004152900000000 ] - [ -0.0001230100000000, -0.0017192500000000, -0.0003305800000000 ] - [ 0.0016155300000000, -0.0006882400000000, 0.0010787100000000 ] - [ -0.0036416400000000, -0.0061994500000000, 0.0068309000000000 ] - [ -0.0011279500000000, -0.0026079700000000, -0.0013733900000000 ] - [ 0.0008589800000000, -0.0009368200000000, -0.0006150000000000 ] - [ 0.0080161200000000, -0.0131614600000000, -0.0135225400000000 ] - [ 0.0000193000000000, 0.0020137800000000, -0.0009291900000000 ] - [ -0.0005041100000000, -0.0034905800000000, 0.0013495000000000 ] - [ 0.0003662400000000, -0.0023110000000000, 0.0005833100000000 ] - [ 0.0082859800000000, 0.0091150700000000, -0.0037464300000000 ] - [ -0.0040080000000000, 0.0067183900000000, -0.0035366300000000 ] - [ -0.0001811500000000, -0.0015868300000000, -0.0004615900000000 ] - [ -0.0000486800000000, -0.0018337900000000, -0.0004077400000000 ] - [ -0.0033626500000000, 0.0083798600000000, 0.0014305000000000 ] - [ -0.0014868200000000, 0.0023779200000000, -0.0005614700000000 ] - [ 0.0000079400000000, -0.0019772700000000, -0.0004895900000000 ] - [ -0.0001880900000000, -0.0014418700000000, -0.0004194500000000 ] - [ -0.0078322700000000, 0.1319166300000000, -0.0179648600000000 ] - [ -0.0000689700000000, 0.0051078900000000, -0.0009084100000000 ] - [ 0.0001671200000000, -0.0024796000000000, 0.0008867800000000 ] - [ -0.0000172900000000, -0.0019698100000000, 0.0006486300000000 ] - [ 0.0007445400000000, -0.0031583700000000, -0.0016983900000000 ] - [ -0.0008591500000000, -0.0010468600000000, -0.0009232500000000 ] - [ -0.0021958600000000, -0.0015029200000000, 0.0030509000000000 ] - [ 0.0015289500000000, -0.0000346200000000, -0.0000350900000000 ] - [ 0.0005847600000000, -0.0025366000000000, -0.0003547300000000 ] - [ -0.0004234300000000, -0.0029807900000000, -0.0004748500000000 ] - [ -0.0352052100000000, -0.0094613600000000, -0.0016593000000000 ] - [ 0.0109209900000000, 0.0007114100000000, -0.0026357500000000 ] - [ 0.0001197900000000, -0.0000483300000000, 0.0000150700000000 ] - [ -0.0006748000000000, 0.0003677200000000, 0.0003855500000000 ] - [ -0.0003005200000000, -0.0004772500000000, 0.0005945300000000 ] - [ 0.0006107800000000, -0.0012630500000000, 0.0006758500000000 ] - [ 0.0013370600000000, -0.0020257400000000, 0.0007231300000000 ] - [ -0.0006442100000000, -0.0016767200000000, 0.0009982700000000 ] - [ 0.0000290200000000, -0.0015806500000000, -0.0052130300000000 ] - [ 0.0009996900000000, 0.0002221100000000, -0.0014307300000000 ] - [ 0.0000869500000000, -0.0016025300000000, 0.0002772400000000 ] - [ -0.0003231500000000, -0.0022008300000000, 0.0004655800000000 ] - [ -0.0006578700000000, 0.0018954200000000, -0.0009589800000000 ] - [ 0.0001290700000000, 0.0012077800000000, 0.0003041400000000 ] - [ 0.0021771000000000, -0.0014492200000000, -0.0002106900000000 ] - [ -0.0050392900000000, -0.0055106700000000, -0.0060903300000000 ] - [ -0.0019656200000000, -0.0014671800000000, 0.0000463600000000 ] - [ 0.0023907400000000, -0.0054655000000000, -0.0018523100000000 ] - [ 0.0001267600000000, 0.0021078800000000, -0.0003591500000000 ] - [ -0.0000905200000000, 0.0020024800000000, 0.0001665000000000 ] - [ -0.0009566800000000, -0.0014378200000000, 0.0001731000000000 ] - [ -0.0008661700000000, -0.0014950400000000, 0.0001089100000000 ] - [ 0.0018431800000000, -0.0032426100000000, 0.0007713200000000 ] - [ -0.0011623200000000, -0.0004985700000000, 0.0002057700000000 ] - [ -0.0021115000000000, -0.0076448000000000, 0.0009764600000000 ] - [ 0.0009689000000000, -0.0011422100000000, 0.0005150600000000 ] - [ 0.0001113000000000, -0.0015398400000000, 0.0003128000000000 ] - [ -0.0002725000000000, -0.0012426100000000, 0.0003759500000000 ] - [ -0.0003628000000000, 0.0013697000000000, 0.0008936800000000 ] - [ 0.0013103000000000, 0.0006502300000000, 0.0014578800000000 ] - [ 0.0007778300000000, 0.0003918600000000, 0.0017165200000000 ] - [ -0.0003388200000000, 0.0012270900000000, 0.0010467800000000 ] - [ -0.0000091100000000, -0.0014998600000000, -0.0006409700000000 ] - [ 0.0002016800000000, -0.0016325200000000, -0.0004868300000000 ] - [ 0.0014940600000000, -0.0013499100000000, 0.0000244200000000 ] - [ 0.0009790500000000, -0.0014037000000000, -0.0002581200000000 ] - [ -0.0002339900000000, 0.0018261100000000, 0.0014676200000000 ] - [ 0.0058090100000000, 0.0043205900000000, 0.0125190700000000 ] - [ 0.0238378100000000, -0.0002883200000000, 0.0106116800000000 ] - [ -0.0077384500000000, 0.0043396400000000, 0.0022918100000000 ] - [ -0.0001533700000000, -0.0015518400000000, 0.0003292500000000 ] - [ 0.0001664300000000, -0.0016154600000000, 0.0001182000000000 ] - [ -0.0001174800000000, 0.0020695600000000, 0.0013706400000000 ] - [ 0.0000902300000000, 0.0011121200000000, 0.0008010600000000 ] - [ 0.0001344300000000, -0.0017985500000000, -0.0001350200000000 ] - [ 0.0002807000000000, -0.0016165000000000, -0.0000923200000000 ] - [ 0.0013323400000000, -0.0049522200000000, 0.0085320800000000 ] - [ -0.0006370200000000, -0.0001577900000000, 0.0007849000000000 ] - [ -0.0012856300000000, -0.0015795700000000, -0.0013526200000000 ] - [ -0.0013740900000000, -0.0010791200000000, -0.0008523400000000 ]- atom: 69 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ -0.0002330100000000, 0.0008560400000000, -0.0000128300000000 ] - [ 0.0004576800000000, 0.0001460900000000, -0.0000964300000000 ] - [ 0.0075253800000000, -0.0142589900000000, 0.0284625600000000 ] - [ 0.0002425000000000, 0.0009206000000000, 0.0023302500000000 ] - [ -0.0007754900000000, -0.0003736800000000, -0.0029681800000000 ] - [ -0.0001130200000000, -0.0014290200000000, -0.0106294800000000 ] - [ -0.0003490300000000, 0.0014149700000000, -0.0000233400000000 ] - [ -0.0002750600000000, 0.0015913000000000, -0.0000825300000000 ] - [ 0.0022055500000000, 0.0026704200000000, -0.0030995300000000 ] - [ -0.0002916900000000, 0.0017369200000000, -0.0018033600000000 ] - [ 0.0019499100000000, -0.0003394700000000, -0.0017260500000000 ] - [ -0.0004962900000000, 0.0002413100000000, -0.0008447000000000 ] - [ -0.0041156100000000, 0.0008925700000000, 0.0075995600000000 ] - [ 0.0035098900000000, 0.0050671100000000, 0.0188924200000000 ] - [ -0.0007517600000000, -0.0000309800000000, 0.0010198600000000 ] - [ 0.0006448800000000, 0.0012932400000000, 0.0022999200000000 ] - [ 0.0009430100000000, -0.0021585600000000, 0.0016370200000000 ] - [ 0.0014847100000000, -0.0005951000000000, 0.0000166700000000 ] - [ 0.0011317800000000, 0.0016974200000000, 0.0012397500000000 ] - [ -0.0025692400000000, 0.0002355000000000, -0.0002362600000000 ] - [ 0.0002477000000000, -0.0006118600000000, -0.0021019200000000 ] - [ -0.0003838500000000, -0.0011587800000000, -0.0009370900000000 ] - [ -0.0000503000000000, 0.0002419700000000, -0.0000400300000000 ] - [ -0.0003426300000000, 0.0004722100000000, 0.0000032000000000 ] - [ -0.0008325700000000, -0.0059936200000000, 0.0457022200000000 ] - [ -0.0003951500000000, -0.0019385300000000, 0.0043360700000000 ] - [ 0.0000271800000000, 0.0006702900000000, 0.0002819800000000 ] - [ -0.0001264600000000, 0.0008276100000000, 0.0002962200000000 ] - [ -0.0001201000000000, 0.0012665700000000, 0.0005193900000000 ] - [ -0.0000419700000000, 0.0008429100000000, -0.0002077700000000 ] - [ -0.0008006000000000, -0.0035565700000000, 0.0012593600000000 ] - [ -0.0004471400000000, 0.0005449300000000, 0.0006787600000000 ] - [ 0.0000281100000000, 0.0005360600000000, -0.0006191400000000 ] - [ 0.0002346900000000, 0.0003468700000000, -0.0003160400000000 ] - [ -0.0014692100000000, -0.0029966600000000, -0.0037317300000000 ] - [ -0.0000836400000000, -0.0010443200000000, -0.0006950900000000 ] - [ -0.0010600500000000, 0.0029136100000000, -0.0085204100000000 ] - [ 0.0005038600000000, -0.0005418800000000, -0.0021972500000000 ] - [ 0.0002867300000000, 0.0002591800000000, 0.0002680400000000 ] - [ 0.0001187600000000, 0.0002449800000000, 0.0003235600000000 ] - [ -0.0001505900000000, 0.0000309300000000, -0.0005724600000000 ] - [ -0.0003065300000000, 0.0001923900000000, -0.0000946500000000 ] - [ 0.0009510100000000, 0.0001720400000000, -0.0025763500000000 ] - [ -0.0027525700000000, 0.0019615800000000, -0.0017379300000000 ] - [ 0.0057212200000000, -0.0054310100000000, -0.0015383700000000 ] - [ -0.0014318000000000, -0.0022922600000000, -0.0013719200000000 ] - [ 0.0004431400000000, 0.0008164300000000, -0.0000820200000000 ] - [ 0.0001940900000000, 0.0009234300000000, -0.0001363600000000 ] - [ -0.0000202100000000, 0.0011553600000000, 0.0085838900000000 ] - [ -0.0001886600000000, 0.0010186200000000, 0.0008846000000000 ] - [ -0.0001411600000000, -0.0003630800000000, 0.0000371000000000 ] - [ -0.0001291600000000, -0.0002805700000000, -0.0000470800000000 ] - [ 0.0010914000000000, -0.0012749400000000, 0.0005671500000000 ] - [ 0.0005328400000000, -0.0003518700000000, 0.0005065800000000 ] - [ 0.0011344100000000, 0.0005861100000000, 0.0001505500000000 ] - [ 0.0005108400000000, 0.0000852500000000, -0.0003806500000000 ] - [ -0.0024591000000000, 0.0101817900000000, 0.0004924600000000 ] - [ 0.0007957700000000, 0.0015986300000000, -0.0011587500000000 ] - [ -0.0003313700000000, -0.0009912600000000, -0.0000745900000000 ] - [ 0.0007935000000000, -0.0010698600000000, 0.0000601400000000 ] - [ -0.0199578300000000, 0.0044248800000000, -0.0005361100000000 ] - [ 0.0102625500000000, 0.0038374700000000, 0.0017395800000000 ] - [ -0.0000636700000000, -0.0002071000000000, -0.0004727700000000 ] - [ 0.0000497000000000, -0.0003889700000000, -0.0004573400000000 ] - [ -0.0011134800000000, 0.0027570000000000, 0.0290564500000000 ] - [ -0.0002046100000000, -0.0000166500000000, 0.0005004600000000 ] - [ -0.0005927600000000, -0.0003007700000000, -0.0002854100000000 ] - [ -0.0005843800000000, -0.0003663000000000, -0.0002619100000000 ] - [ -0.0322610700000000, 0.0183988700000000, -0.1231450600000000 ] - [ 0.0009016200000000, 0.0012843200000000, -0.0014291000000000 ] - [ 0.0000338800000000, -0.0004961700000000, 0.0003014400000000 ] - [ 0.0001694700000000, -0.0002629800000000, 0.0002232400000000 ] - [ 0.0006248000000000, 0.0009343800000000, -0.0000185600000000 ] - [ 0.0000096800000000, -0.0001328300000000, -0.0003231800000000 ] - [ -0.0018071900000000, -0.0019120400000000, 0.0011422900000000 ] - [ 0.0015491100000000, 0.0001425000000000, -0.0002966400000000 ] - [ 0.0001445700000000, -0.0008086500000000, -0.0003666600000000 ] - [ 0.0000963200000000, -0.0008727700000000, -0.0002015700000000 ] - [ 0.0067370500000000, 0.0046764500000000, -0.0087381000000000 ] - [ 0.0011814200000000, 0.0012661000000000, -0.0040865700000000 ] - [ -0.0001991900000000, 0.0000981300000000, 0.0006186900000000 ] - [ -0.0002659700000000, 0.0004649900000000, 0.0004096100000000 ] - [ -0.0002388400000000, -0.0001835000000000, 0.0008070400000000 ] - [ 0.0001635900000000, -0.0008115700000000, 0.0009002200000000 ] - [ 0.0007617900000000, -0.0011041300000000, 0.0000208900000000 ] - [ 0.0007176200000000, -0.0005128900000000, -0.0000349800000000 ] - [ 0.0011351700000000, 0.0032785100000000, 0.0025012300000000 ] - [ 0.0009275100000000, -0.0000734200000000, -0.0003958400000000 ] - [ -0.0000709000000000, -0.0006563500000000, 0.0000454700000000 ] - [ -0.0002742800000000, -0.0008489800000000, -0.0000404000000000 ] - [ 0.0009552900000000, 0.0005634500000000, 0.0007191300000000 ] - [ -0.0004042700000000, -0.0006828400000000, 0.0012926600000000 ] - [ -0.0008896000000000, 0.0004542900000000, -0.0009014900000000 ] - [ -0.0017275100000000, -0.0014887700000000, -0.0025950700000000 ] - [ -0.0007124900000000, 0.0001381400000000, -0.0008959000000000 ] - [ 0.0021994900000000, -0.0055666400000000, -0.0025441200000000 ] - [ -0.0016755300000000, 0.0008639300000000, 0.0018757400000000 ] - [ 0.0002424200000000, 0.0012024200000000, 0.0009817900000000 ] - [ -0.0006727700000000, -0.0003953300000000, 0.0002364000000000 ] - [ -0.0006220800000000, -0.0005427400000000, 0.0002992900000000 ] - [ 0.0003356200000000, 0.0000551000000000, -0.0005630200000000 ] - [ -0.0000559200000000, -0.0002133000000000, 0.0001747300000000 ] - [ -0.0015603300000000, 0.0001287400000000, -0.0016881100000000 ] - [ 0.0005851700000000, 0.0002636900000000, -0.0001491000000000 ] - [ 0.0000239000000000, -0.0004998900000000, 0.0006476900000000 ] - [ -0.0000317000000000, -0.0005066800000000, 0.0004858500000000 ] - [ -0.0006371900000000, -0.0001841600000000, 0.0027692100000000 ] - [ 0.0006411700000000, -0.0001136800000000, 0.0014051000000000 ] - [ 0.0006782500000000, -0.0008564800000000, 0.0022421800000000 ] - [ 0.0000900900000000, 0.0005180300000000, 0.0009369300000000 ] - [ 0.0000315200000000, -0.0004441700000000, -0.0002626900000000 ] - [ 0.0000006700000000, -0.0005060900000000, -0.0002734300000000 ] - [ 0.0007881600000000, -0.0002191000000000, 0.0004332700000000 ] - [ 0.0008915900000000, -0.0003736500000000, 0.0003259600000000 ] - [ -0.0001890100000000, 0.0001393500000000, 0.0010412400000000 ] - [ 0.0039074500000000, 0.0012505800000000, 0.0068597000000000 ] - [ 0.0299201600000000, -0.0134375900000000, 0.0048552500000000 ] - [ -0.0054739900000000, -0.0002272200000000, 0.0000465500000000 ] - [ -0.0004807100000000, -0.0001203400000000, 0.0000783500000000 ] - [ -0.0003655100000000, -0.0002420800000000, 0.0000087400000000 ] - [ -0.0001998400000000, 0.0009740400000000, 0.0019492300000000 ] - [ 0.0004500800000000, 0.0004156100000000, 0.0008550500000000 ] - [ 0.0001417900000000, -0.0005137900000000, 0.0003304700000000 ] - [ 0.0003385600000000, -0.0004756000000000, 0.0002982200000000 ] - [ -0.0017770500000000, -0.0076879400000000, 0.0048137300000000 ] - [ -0.0003761800000000, -0.0008602200000000, 0.0004866800000000 ] - [ -0.0011351800000000, 0.0001313300000000, -0.0010227300000000 ] - [ -0.0007417700000000, -0.0001183300000000, -0.0005188500000000 ]- atom: 69 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ 0.0008166300000000, -0.0020685400000000, -0.0005495400000000 ] - [ 0.0001273900000000, -0.0013522000000000, -0.0004653900000000 ] - [ -0.0076348700000000, 0.0140574500000000, -0.0297346000000000 ] - [ 0.0004083000000000, -0.0020696500000000, -0.0029546900000000 ] - [ 0.0001939600000000, 0.0015780500000000, 0.0035209000000000 ] - [ -0.0004309600000000, 0.0026392300000000, 0.0112259800000000 ] - [ -0.0002339200000000, -0.0002308500000000, 0.0005827100000000 ] - [ -0.0003080400000000, -0.0004096200000000, 0.0006410900000000 ] - [ -0.0016083500000000, -0.0014649500000000, 0.0025597800000000 ] - [ 0.0008758400000000, -0.0005465900000000, 0.0012578800000000 ] - [ -0.0013678300000000, 0.0015157100000000, 0.0011747200000000 ] - [ 0.0010841800000000, 0.0009499400000000, 0.0003003300000000 ] - [ 0.0035837900000000, -0.0021278800000000, -0.0070422600000000 ] - [ -0.0041309900000000, -0.0062288000000000, -0.0182558400000000 ] - [ 0.0001767700000000, -0.0011607200000000, -0.0004671200000000 ] - [ -0.0012417400000000, -0.0025073300000000, -0.0017572800000000 ] - [ -0.0007129200000000, 0.0023849900000000, -0.0019877900000000 ] - [ -0.0012762400000000, 0.0008529500000000, -0.0003660500000000 ] - [ -0.0009313100000000, -0.0014563300000000, -0.0016096900000000 ] - [ 0.0028235000000000, 0.0000195200000000, -0.0001080500000000 ] - [ -0.0004863100000000, 0.0003590100000000, 0.0024486300000000 ] - [ 0.0001723100000000, 0.0009144800000000, 0.0012871400000000 ] - [ -0.0001744000000000, -0.0005026200000000, 0.0003868400000000 ] - [ 0.0001270600000000, -0.0007354200000000, 0.0003437200000000 ] - [ -0.0001684700000000, 0.0063079800000000, -0.0454775300000000 ] - [ 0.0002025300000000, 0.0022168700000000, -0.0040083100000000 ] - [ -0.0002501000000000, -0.0004220000000000, 0.0000628000000000 ] - [ -0.0000933400000000, -0.0005814200000000, 0.0000485100000000 ] - [ -0.0003792700000000, -0.0010697300000000, -0.0008650000000000 ] - [ -0.0004651300000000, -0.0006508000000000, -0.0001504200000000 ] - [ 0.0002577900000000, 0.0038284000000000, -0.0015702000000000 ] - [ -0.0000377900000000, -0.0003508800000000, -0.0010362300000000 ] - [ 0.0001905700000000, -0.0007944100000000, 0.0002742800000000 ] - [ -0.0000122000000000, -0.0006067300000000, -0.0000254200000000 ] - [ 0.0016635800000000, 0.0027260600000000, 0.0033981000000000 ] - [ 0.0003221400000000, 0.0007935000000000, 0.0003528000000000 ] - [ 0.0014941300000000, -0.0031050200000000, 0.0089465000000000 ] - [ 0.0000016500000000, 0.0003448400000000, 0.0025705800000000 ] - [ 0.0002082600000000, -0.0004681100000000, 0.0000852300000000 ] - [ 0.0003839600000000, -0.0004528100000000, 0.0000290500000000 ] - [ -0.0003459300000000, -0.0002363500000000, 0.0002137400000000 ] - [ -0.0001893400000000, -0.0003950000000000, -0.0002624900000000 ] - [ -0.0014802000000000, -0.0003735800000000, 0.0022329200000000 ] - [ 0.0022820200000000, -0.0021817700000000, 0.0013942200000000 ] - [ -0.0052818900000000, 0.0056582200000000, 0.0017515300000000 ] - [ 0.0019471100000000, 0.0025000700000000, 0.0017196300000000 ] - [ 0.0000528500000000, -0.0006194600000000, 0.0004342600000000 ] - [ 0.0003063400000000, -0.0007278100000000, 0.0004893400000000 ] - [ -0.0001180900000000, -0.0008765800000000, -0.0084720800000000 ] - [ -0.0000025200000000, -0.0007296100000000, -0.0008772500000000 ] - [ -0.0000398500000000, 0.0006659500000000, -0.0000231000000000 ] - [ -0.0000530300000000, 0.0005838800000000, 0.0000609400000000 ] - [ 0.0004507300000000, 0.0013454300000000, 0.0001692300000000 ] - [ 0.0010258300000000, 0.0004427000000000, 0.0001965900000000 ] - [ 0.0004041000000000, -0.0005458000000000, 0.0005796400000000 ] - [ 0.0010313700000000, -0.0000210400000000, 0.0011242100000000 ] - [ 0.0023068100000000, -0.0105665400000000, -0.0004582200000000 ] - [ -0.0009851500000000, -0.0019045200000000, 0.0011786500000000 ] - [ 0.0001536700000000, 0.0006989400000000, 0.0000904000000000 ] - [ -0.0009867300000000, 0.0007795000000000, -0.0000469400000000 ] - [ 0.0201022500000000, -0.0040106400000000, -0.0001318900000000 ] - [ -0.0102922400000000, -0.0034288900000000, -0.0025080300000000 ] - [ 0.0001501400000000, 0.0006604600000000, -0.0002812900000000 ] - [ 0.0000356400000000, 0.0008448600000000, -0.0002952600000000 ] - [ -0.0003998600000000, -0.0027478800000000, -0.0305427500000000 ] - [ -0.0013571300000000, 0.0000815900000000, -0.0012341500000000 ] - [ -0.0009511100000000, 0.0003670500000000, -0.0004561700000000 ] - [ -0.0009616300000000, 0.0004319700000000, -0.0004807300000000 ] - [ 0.0340071000000000, -0.0187017200000000, 0.1250092100000000 ] - [ -0.0006619100000000, -0.0009143100000000, 0.0018268300000000 ] - [ 0.0002384000000000, 0.0008756100000000, 0.0000924700000000 ] - [ 0.0001011700000000, 0.0006405300000000, 0.0001715800000000 ] - [ 0.0004909800000000, -0.0006668500000000, -0.0002405400000000 ] - [ 0.0011069700000000, 0.0003954100000000, 0.0000626900000000 ] - [ 0.0029571800000000, 0.0021961800000000, -0.0014147800000000 ] - [ -0.0004542900000000, 0.0001110400000000, 0.0000407800000000 ] - [ 0.0000356500000000, 0.0005170500000000, 0.0003530000000000 ] - [ 0.0000893800000000, 0.0005839200000000, 0.0001903700000000 ] - [ -0.0067248600000000, -0.0051165400000000, 0.0086973400000000 ] - [ -0.0010224300000000, -0.0015729600000000, 0.0041009400000000 ] - [ 0.0003869500000000, 0.0001993700000000, -0.0006325900000000 ] - [ 0.0004473900000000, -0.0001714500000000, -0.0004195000000000 ] - [ 0.0004269100000000, 0.0004858300000000, -0.0008252400000000 ] - [ 0.0000152400000000, 0.0011192400000000, -0.0009161600000000 ] - [ 0.0003547000000000, 0.0008439300000000, -0.0002915000000000 ] - [ 0.0004017300000000, 0.0002591100000000, -0.0002356000000000 ] - [ 0.0000011100000000, -0.0035095100000000, -0.0027639200000000 ] - [ 0.0001763600000000, -0.0001851700000000, 0.0001310100000000 ] - [ -0.0002008100000000, 0.0002881800000000, -0.0004418900000000 ] - [ 0.0000007200000000, 0.0004794600000000, -0.0003584000000000 ] - [ -0.0012175200000000, -0.0009360700000000, -0.0011211100000000 ] - [ 0.0001216600000000, 0.0003258300000000, -0.0017017900000000 ] - [ 0.0006138100000000, -0.0000710200000000, 0.0005075200000000 ] - [ 0.0014695100000000, 0.0018719400000000, 0.0022132600000000 ] - [ 0.0004482000000000, 0.0002238500000000, 0.0005093800000000 ] - [ -0.0025025500000000, 0.0060143400000000, 0.0021752600000000 ] - [ 0.0005688700000000, -0.0011309000000000, -0.0015818100000000 ] - [ -0.0013713000000000, -0.0014751000000000, -0.0007104900000000 ] - [ -0.0004399300000000, 0.0001395200000000, 0.0000284200000000 ] - [ -0.0004922000000000, 0.0002876200000000, -0.0000347300000000 ] - [ -0.0004258800000000, 0.0004060000000000, 0.0013134100000000 ] - [ -0.0000261500000000, 0.0006647100000000, 0.0005805700000000 ] - [ 0.0015019600000000, 0.0003024000000000, 0.0024611700000000 ] - [ -0.0006854500000000, 0.0001827500000000, 0.0009049200000000 ] - [ -0.0001077900000000, 0.0000525900000000, 0.0001075200000000 ] - [ -0.0000550300000000, 0.0000590300000000, 0.0002681200000000 ] - [ 0.0005622300000000, -0.0002512200000000, -0.0020274200000000 ] - [ -0.0007364900000000, -0.0003386800000000, -0.0006547200000000 ] - [ -0.0005885600000000, 0.0004102400000000, -0.0030185700000000 ] - [ -0.0000173800000000, -0.0009809200000000, -0.0017009800000000 ] - [ 0.0000555300000000, -0.0000031100000000, -0.0004945400000000 ] - [ 0.0000822900000000, 0.0000609900000000, -0.0004817600000000 ] - [ 0.0007536000000000, 0.0001603600000000, 0.0003122800000000 ] - [ 0.0006514100000000, 0.0003156100000000, 0.0004193500000000 ] - [ 0.0017493200000000, -0.0002116600000000, -0.0002828500000000 ] - [ -0.0023926200000000, -0.0013125500000000, -0.0061568900000000 ] - [ -0.0308581300000000, 0.0136057800000000, -0.0046868300000000 ] - [ 0.0043560800000000, 0.0004714000000000, 0.0002028700000000 ] - [ -0.0006336600000000, 0.0003813800000000, 0.0001853100000000 ] - [ -0.0007503600000000, 0.0005066400000000, 0.0002556200000000 ] - [ 0.0004803300000000, -0.0013663200000000, -0.0015575400000000 ] - [ -0.0001855500000000, -0.0007911500000000, -0.0004625200000000 ] - [ 0.0001310300000000, 0.0001494500000000, 0.0000663300000000 ] - [ -0.0000700500000000, 0.0001061500000000, 0.0000975000000000 ] - [ 0.0002423800000000, 0.0075246000000000, -0.0055151300000000 ] - [ -0.0011728300000000, 0.0007998200000000, -0.0012397000000000 ] - [ -0.0004034000000000, -0.0001891100000000, 0.0002800000000000 ] - [ -0.0008033000000000, 0.0000577200000000, -0.0002266300000000 ]- atom: 73 displacement: [ 0.0099999983400925, 0.0000000000000000, 0.0000057617832773 ] forces: - [ 0.0211979100000000, 0.0084801400000000, -0.0089113800000000 ] - [ -0.0095976000000000, 0.0063198400000000, -0.0078615900000000 ] - [ 0.0004966400000000, -0.0013073500000000, -0.0004159100000000 ] - [ 0.0001722400000000, -0.0018194900000000, -0.0001251800000000 ] - [ -0.0011047500000000, -0.0009641600000000, 0.0003247400000000 ] - [ 0.0001371100000000, 0.0006371300000000, 0.0002004200000000 ] - [ -0.0045138700000000, 0.0067706400000000, 0.0040602200000000 ] - [ 0.0009583100000000, -0.0023245400000000, -0.0050350300000000 ] - [ 0.0017797000000000, 0.0018726600000000, -0.0008389900000000 ] - [ -0.0048523400000000, 0.0016046600000000, 0.0036434500000000 ] - [ 0.0002749300000000, -0.0003252800000000, -0.0001336300000000 ] - [ 0.0002876800000000, 0.0004118400000000, 0.0001943600000000 ] - [ -0.0040148200000000, -0.0055879200000000, -0.0043571500000000 ] - [ 0.0011739900000000, 0.0043525600000000, 0.0031814300000000 ] - [ -0.0006595300000000, -0.0006908800000000, 0.0004401100000000 ] - [ 0.0000101700000000, -0.0035578900000000, 0.0014087200000000 ] - [ 0.0610607200000000, 0.0227244100000000, 0.0115866800000000 ] - [ -0.0070854300000000, 0.0003216800000000, -0.0014143400000000 ] - [ 0.0005268900000000, -0.0006251400000000, -0.0003185100000000 ] - [ -0.0001522500000000, -0.0006155200000000, -0.0001810900000000 ] - [ 0.0044122400000000, -0.0062376500000000, 0.0010891900000000 ] - [ -0.0020003700000000, 0.0012043200000000, -0.0001929900000000 ] - [ 0.0008608000000000, 0.0000040400000000, 0.0003743000000000 ] - [ -0.0013919900000000, -0.0009612300000000, -0.0003726600000000 ] - [ 0.0006839800000000, -0.0006300100000000, 0.0001695900000000 ] - [ -0.0011485200000000, 0.0001676700000000, 0.0001619100000000 ] - [ 0.0038778200000000, 0.0016438200000000, -0.0000051200000000 ] - [ -0.0038366200000000, -0.0021143000000000, 0.0020522100000000 ] - [ 0.0054150100000000, -0.0016432800000000, 0.0007550900000000 ] - [ -0.0032553200000000, 0.0036404100000000, 0.0013794600000000 ] - [ 0.0000995300000000, -0.0003276400000000, -0.0000966600000000 ] - [ -0.0005638100000000, -0.0003816900000000, -0.0001856900000000 ] - [ 0.0034778200000000, 0.0006000000000000, -0.0000311600000000 ] - [ -0.0016181000000000, -0.0001681200000000, 0.0000198600000000 ] - [ 0.0003680200000000, -0.0005316000000000, -0.0001115000000000 ] - [ -0.0001404300000000, -0.0005246200000000, -0.0000992600000000 ] - [ 0.0022775000000000, 0.0001012200000000, 0.0007054000000000 ] - [ -0.0013375600000000, -0.0008170500000000, -0.0000328700000000 ] - [ 0.0011421600000000, -0.0004401000000000, 0.0006725000000000 ] - [ -0.0009287400000000, 0.0002219800000000, 0.0009833600000000 ] - [ 0.0732941500000000, -0.0014549100000000, -0.0373316400000000 ] - [ -0.0068868700000000, 0.0033215400000000, -0.0020286900000000 ] - [ 0.0001185200000000, -0.0004629200000000, -0.0002292900000000 ] - [ -0.0004982700000000, -0.0004033700000000, -0.0002830700000000 ] - [ 0.0018088500000000, -0.0004552700000000, -0.0007463200000000 ] - [ -0.0006844000000000, 0.0000181000000000, 0.0002770200000000 ] - [ 0.0049327400000000, -0.0011444900000000, 0.0007118700000000 ] - [ -0.0037707900000000, -0.0000052800000000, -0.0023515500000000 ] - [ -0.0006142800000000, 0.0003341500000000, 0.0001063000000000 ] - [ 0.0003249100000000, 0.0005779100000000, 0.0000035600000000 ] - [ -0.0011894900000000, 0.0002994200000000, 0.0005487600000000 ] - [ 0.0012897800000000, 0.0002334100000000, -0.0009721500000000 ] - [ -0.0011772200000000, -0.0008085400000000, 0.0007751600000000 ] - [ 0.0010160200000000, -0.0005525200000000, -0.0007500000000000 ] - [ 0.0007403500000000, 0.0002405700000000, 0.0001848800000000 ] - [ 0.0010293200000000, 0.0005468100000000, 0.0001445400000000 ] - [ -0.0084738000000000, -0.0029609900000000, 0.0007390300000000 ] - [ 0.0030353900000000, -0.0007349100000000, -0.0005049800000000 ] - [ -0.0010294200000000, 0.0010434200000000, -0.0001976200000000 ] - [ 0.0011699000000000, 0.0006827500000000, 0.0001003200000000 ] - [ -0.0009607300000000, 0.0006601500000000, -0.0003958000000000 ] - [ 0.0006170900000000, 0.0000513900000000, -0.0003296300000000 ] - [ -0.0014488300000000, -0.0009497100000000, 0.0002397200000000 ] - [ 0.0044971700000000, 0.0056413200000000, 0.0002483100000000 ] - [ -0.0013207000000000, 0.0004125200000000, -0.0003615700000000 ] - [ -0.0004331000000000, 0.0001416900000000, -0.0002279400000000 ] - [ -0.0042412300000000, 0.0079187700000000, 0.0028610000000000 ] - [ 0.0031105100000000, -0.0018635700000000, 0.0009218500000000 ] - [ -0.0004803100000000, -0.0000034800000000, 0.0002546800000000 ] - [ 0.0010345800000000, 0.0015993500000000, -0.0003424100000000 ] - [ -0.0037189900000000, 0.0029435000000000, -0.0022147500000000 ] - [ 0.0026863100000000, -0.0007945600000000, 0.0012272000000000 ] - [ -0.2253975100000000, -0.0385301100000000, 0.0613139700000000 ] - [ 0.0042015700000000, 0.0002814400000000, -0.0006565200000000 ] - [ 0.0004506100000000, 0.0004934100000000, 0.0000782900000000 ] - [ 0.0007977500000000, 0.0005199100000000, -0.0000054100000000 ] - [ -0.0017389800000000, -0.0013119500000000, 0.0019899300000000 ] - [ 0.0058810000000000, -0.0023607600000000, -0.0062636900000000 ] - [ -0.0001358900000000, 0.0003858800000000, 0.0001201600000000 ] - [ 0.0003662600000000, 0.0001800300000000, 0.0000021000000000 ] - [ 0.0120017600000000, 0.0077003800000000, -0.0248339000000000 ] - [ 0.0014063500000000, -0.0014662300000000, 0.0012479800000000 ] - [ -0.0001292800000000, 0.0002468100000000, -0.0000479700000000 ] - [ 0.0004362900000000, 0.0005235000000000, -0.0000005900000000 ] - [ -0.0008466900000000, -0.0000068200000000, -0.0007469400000000 ] - [ 0.0026626600000000, -0.0014724200000000, -0.0015428100000000 ] - [ 0.0003548300000000, 0.0001781700000000, -0.0002054900000000 ] - [ 0.0006908200000000, 0.0001180600000000, -0.0002932400000000 ] - [ -0.0014886600000000, -0.0008565700000000, -0.0013346200000000 ] - [ 0.0007296200000000, -0.0006477400000000, 0.0006151500000000 ] - [ -0.0002706400000000, 0.0002110700000000, -0.0003160600000000 ] - [ -0.0000114100000000, 0.0001177100000000, -0.0002611000000000 ] - [ 0.0340915100000000, 0.0248023200000000, 0.0308303000000000 ] - [ 0.0105024900000000, -0.0069029000000000, -0.0049418800000000 ] - [ -0.0003294100000000, 0.0005857300000000, -0.0001246700000000 ] - [ 0.0000317900000000, 0.0009053500000000, -0.0000053800000000 ] - [ -0.0010258700000000, 0.0015388200000000, 0.0004966300000000 ] - [ -0.0000759700000000, -0.0004708300000000, 0.0002363500000000 ] - [ -0.0024953500000000, -0.0009695200000000, 0.0009067400000000 ] - [ 0.0006978600000000, 0.0009954800000000, 0.0007038500000000 ] - [ -0.0098149300000000, -0.0037285400000000, -0.0154873700000000 ] - [ 0.0045329800000000, -0.0005484300000000, 0.0009051800000000 ] - [ -0.0002788300000000, 0.0007466400000000, 0.0002549400000000 ] - [ 0.0001085500000000, 0.0005472200000000, 0.0003042300000000 ] - [ -0.0080101100000000, 0.0020096100000000, 0.0084462700000000 ] - [ 0.0029231400000000, -0.0003907400000000, 0.0007715600000000 ] - [ -0.0001884900000000, -0.0000045600000000, 0.0003653800000000 ] - [ 0.0001566000000000, 0.0000645500000000, 0.0004263900000000 ] - [ -0.0005099500000000, 0.0020033800000000, -0.0015403800000000 ] - [ 0.0005986800000000, -0.0006547500000000, -0.0001810400000000 ] - [ -0.0006472700000000, -0.0004528400000000, -0.0007318800000000 ] - [ 0.0005938800000000, 0.0001312100000000, -0.0002992800000000 ] - [ 0.0363914600000000, -0.0313650600000000, -0.0202139100000000 ] - [ 0.0100408500000000, 0.0037170800000000, 0.0075069800000000 ] - [ 0.0006214700000000, 0.0004162900000000, 0.0004242200000000 ] - [ 0.0007299700000000, 0.0001162600000000, 0.0004520200000000 ] - [ -0.0015452900000000, 0.0006808000000000, 0.0002722300000000 ] - [ 0.0002380600000000, -0.0000893400000000, -0.0002777500000000 ] - [ -0.0015377200000000, 0.0001319600000000, 0.0000234600000000 ] - [ 0.0002360700000000, 0.0008213900000000, -0.0010580700000000 ] - [ -0.0023095400000000, -0.0007343400000000, 0.0007486100000000 ] - [ 0.0017851900000000, 0.0002602200000000, 0.0005931400000000 ] - [ -0.0005649900000000, 0.0005856500000000, 0.0003932700000000 ] - [ 0.0013249200000000, -0.0013853100000000, 0.0003697000000000 ] - [ -0.0017749400000000, -0.0007415300000000, -0.0015456900000000 ] - [ 0.0007956600000000, 0.0000979900000000, 0.0008480000000000 ] - [ -0.0010886600000000, 0.0002563000000000, -0.0008678500000000 ] - [ -0.0004304800000000, 0.0001648500000000, -0.0006225800000000 ]- atom: 73 displacement: [ -0.0099999983400925, 0.0000000000000000, -0.0000057617832773 ] forces: - [ -0.0217632800000000, -0.0107354100000000, 0.0093490700000000 ] - [ 0.0102257700000000, -0.0075402500000000, 0.0073259200000000 ] - [ 0.0000755600000000, 0.0001369900000000, -0.0001417200000000 ] - [ 0.0004192200000000, 0.0006394200000000, -0.0004321600000000 ] - [ 0.0005340200000000, 0.0021692900000000, 0.0002278300000000 ] - [ -0.0007365200000000, 0.0005720800000000, 0.0003479800000000 ] - [ 0.0039410500000000, -0.0056043400000000, -0.0035074700000000 ] - [ -0.0015798200000000, 0.0035288800000000, 0.0056295400000000 ] - [ -0.0012305800000000, -0.0006929100000000, 0.0002729400000000 ] - [ 0.0054665400000000, -0.0004185600000000, -0.0042221200000000 ] - [ 0.0003057600000000, 0.0015312500000000, -0.0004235800000000 ] - [ 0.0002982200000000, 0.0007948900000000, -0.0007496600000000 ] - [ 0.0034701500000000, 0.0044016400000000, 0.0049262200000000 ] - [ -0.0018520200000000, -0.0055587900000000, -0.0025967700000000 ] - [ 0.0000823000000000, -0.0004961200000000, 0.0001165600000000 ] - [ -0.0005995300000000, 0.0023934000000000, -0.0008604200000000 ] - [ -0.0612479200000000, -0.0216970200000000, -0.0112440500000000 ] - [ 0.0073298100000000, -0.0000614300000000, 0.0010859800000000 ] - [ -0.0003091000000000, 0.0008880900000000, -0.0000269800000000 ] - [ 0.0003724100000000, 0.0008795700000000, -0.0001646500000000 ] - [ -0.0046277600000000, 0.0060076500000000, -0.0007737600000000 ] - [ 0.0017836600000000, -0.0014689000000000, 0.0005414000000000 ] - [ -0.0010820800000000, -0.0002523300000000, -0.0000265600000000 ] - [ 0.0011707600000000, 0.0007143700000000, 0.0007230300000000 ] - [ -0.0008961100000000, 0.0008969000000000, 0.0001861400000000 ] - [ 0.0009221500000000, 0.0000907300000000, 0.0001827300000000 ] - [ -0.0041300100000000, -0.0014151600000000, 0.0003562400000000 ] - [ 0.0036465800000000, 0.0023902600000000, -0.0017253100000000 ] - [ -0.0058762900000000, 0.0018383800000000, -0.0010674400000000 ] - [ 0.0027595300000000, -0.0034721400000000, -0.0017524200000000 ] - [ -0.0005979800000000, 0.0005385200000000, -0.0002551600000000 ] - [ 0.0000659500000000, 0.0005916900000000, -0.0001666500000000 ] - [ -0.0032218700000000, -0.0008757000000000, -0.0003484500000000 ] - [ 0.0018373100000000, -0.0000909700000000, -0.0003640400000000 ] - [ -0.0001466200000000, 0.0002840700000000, -0.0002352200000000 ] - [ 0.0003587400000000, 0.0002723500000000, -0.0002475700000000 ] - [ -0.0017771000000000, -0.0002995700000000, -0.0003546400000000 ] - [ 0.0018292000000000, 0.0006118300000000, 0.0003855300000000 ] - [ -0.0006401200000000, 0.0002309200000000, -0.0003229300000000 ] - [ 0.0014314500000000, -0.0004201100000000, -0.0006334900000000 ] - [ -0.0725374900000000, 0.0004908400000000, 0.0340979400000000 ] - [ 0.0064239200000000, -0.0035716000000000, 0.0016911300000000 ] - [ -0.0006165200000000, 0.0002673400000000, -0.0001239300000000 ] - [ -0.0000012600000000, 0.0002082100000000, -0.0000708300000000 ] - [ -0.0012681200000000, 0.0007261900000000, 0.0010567600000000 ] - [ 0.0011785300000000, 0.0001757100000000, 0.0000788500000000 ] - [ -0.0044458200000000, 0.0013406600000000, -0.0003678400000000 ] - [ 0.0042902300000000, 0.0002202400000000, 0.0027192300000000 ] - [ 0.0004300800000000, -0.0000427400000000, -0.0000930800000000 ] - [ -0.0005114800000000, -0.0002827000000000, 0.0000103400000000 ] - [ 0.0010083400000000, 0.0000186700000000, -0.0005278100000000 ] - [ -0.0014653400000000, 0.0000701300000000, 0.0009814800000000 ] - [ 0.0027105100000000, 0.0008669200000000, -0.0000340300000000 ] - [ 0.0005459300000000, 0.0006282400000000, 0.0015000700000000 ] - [ 0.0007990600000000, -0.0001840300000000, 0.0005574400000000 ] - [ 0.0005115400000000, -0.0004911900000000, 0.0005991800000000 ] - [ 0.0083365000000000, 0.0023892300000000, -0.0008556900000000 ] - [ -0.0032278500000000, 0.0004484400000000, 0.0005113000000000 ] - [ 0.0008512500000000, -0.0013505800000000, 0.0002114300000000 ] - [ -0.0013604300000000, -0.0009935000000000, -0.0000856500000000 ] - [ 0.0010214400000000, -0.0002315600000000, -0.0003661000000000 ] - [ -0.0005278200000000, 0.0003978000000000, -0.0004243300000000 ] - [ 0.0015374300000000, 0.0014068800000000, -0.0009964400000000 ] - [ -0.0044604500000000, -0.0052560500000000, -0.0010140000000000 ] - [ -0.0002115100000000, -0.0003733000000000, -0.0003711600000000 ] - [ -0.0011116200000000, -0.0000806700000000, -0.0005174400000000 ] - [ 0.0027670300000000, -0.0078612900000000, -0.0036006900000000 ] - [ -0.0046692600000000, 0.0019327500000000, -0.0016616400000000 ] - [ 0.0007567800000000, 0.0003569900000000, 0.0001339800000000 ] - [ -0.0007604400000000, -0.0012200200000000, 0.0007343700000000 ] - [ 0.0040462300000000, -0.0025925700000000, 0.0026337900000000 ] - [ -0.0024325700000000, 0.0011698100000000, -0.0008357400000000 ] - [ 0.2259713100000000, 0.0402041900000000, -0.0601701900000000 ] - [ -0.0031051800000000, -0.0000181900000000, 0.0003967300000000 ] - [ 0.0006634700000000, -0.0002397500000000, -0.0003431500000000 ] - [ 0.0003147300000000, -0.0002666200000000, -0.0002592600000000 ] - [ 0.0019120500000000, 0.0010322500000000, -0.0020047100000000 ] - [ -0.0057558300000000, 0.0020935700000000, 0.0063161200000000 ] - [ 0.0003178300000000, -0.0006926600000000, -0.0001356600000000 ] - [ -0.0001808100000000, -0.0004821200000000, -0.0000170400000000 ] - [ -0.0118198700000000, -0.0073458700000000, 0.0246174100000000 ] - [ -0.0012237400000000, 0.0017828700000000, -0.0012728800000000 ] - [ 0.0003080800000000, 0.0000460400000000, 0.0000359900000000 ] - [ -0.0002515500000000, -0.0002336900000000, -0.0000114800000000 ] - [ 0.0019564200000000, -0.0002474000000000, 0.0004793400000000 ] - [ -0.0015556600000000, 0.0012223000000000, 0.0012845200000000 ] - [ 0.0007602800000000, -0.0004429400000000, -0.0000600600000000 ] - [ 0.0004237600000000, -0.0003828700000000, 0.0000291300000000 ] - [ 0.0012007000000000, 0.0004986100000000, 0.0009393700000000 ] - [ -0.0009958200000000, 0.0002849100000000, -0.0010174800000000 ] - [ -0.0000041800000000, -0.0005892900000000, -0.0000792000000000 ] - [ -0.0002577800000000, -0.0004972300000000, -0.0001331700000000 ] - [ -0.0338557900000000, -0.0240102500000000, -0.0307299300000000 ] - [ -0.0109193900000000, 0.0073880100000000, 0.0046482400000000 ] - [ 0.0000557700000000, -0.0002196300000000, -0.0002720000000000 ] - [ -0.0003028900000000, -0.0005437700000000, -0.0003928500000000 ] - [ -0.0001030400000000, -0.0018130900000000, -0.0002172400000000 ] - [ -0.0010315100000000, 0.0002152600000000, 0.0000271600000000 ] - [ 0.0013810100000000, 0.0007053600000000, -0.0006423800000000 ] - [ -0.0018140600000000, -0.0012671600000000, -0.0004460900000000 ] - [ 0.0098915200000000, 0.0041092700000000, 0.0161178700000000 ] - [ -0.0046350500000000, 0.0010001500000000, -0.0001487500000000 ] - [ 0.0001960800000000, -0.0003040000000000, 0.0004991700000000 ] - [ -0.0001938600000000, -0.0001032700000000, 0.0004508900000000 ] - [ 0.0079074700000000, -0.0023891600000000, -0.0075860400000000 ] - [ -0.0030216500000000, -0.0000480800000000, -0.0000236300000000 ] - [ 0.0001042100000000, -0.0004521200000000, 0.0003892900000000 ] - [ -0.0002423700000000, -0.0005194700000000, 0.0003273600000000 ] - [ 0.0005915300000000, -0.0024511800000000, 0.0007910100000000 ] - [ -0.0005114700000000, 0.0002097600000000, -0.0005715000000000 ] - [ 0.0007290000000000, 0.0000009800000000, -0.0000252700000000 ] - [ -0.0005087000000000, -0.0005854100000000, -0.0004551200000000 ] - [ -0.0344548100000000, 0.0307764500000000, 0.0205185000000000 ] - [ -0.0086387500000000, -0.0038539200000000, -0.0068727400000000 ] - [ 0.0009202200000000, -0.0004834800000000, 0.0003188600000000 ] - [ 0.0008175200000000, -0.0001838100000000, 0.0002915400000000 ] - [ 0.0004223500000000, -0.0004216000000000, -0.0000093400000000 ] - [ -0.0013484600000000, 0.0003475500000000, 0.0005383000000000 ] - [ 0.0004288300000000, 0.0001285200000000, 0.0002440500000000 ] - [ -0.0013522200000000, -0.0005694700000000, 0.0013309100000000 ] - [ 0.0025950300000000, 0.0003518200000000, -0.0003341500000000 ] - [ -0.0015203200000000, -0.0006298900000000, -0.0001960600000000 ] - [ 0.0008379700000000, -0.0009625400000000, 0.0000010900000000 ] - [ -0.0010510600000000, 0.0009996300000000, 0.0000261500000000 ] - [ 0.0002337400000000, 0.0006759900000000, 0.0007989200000000 ] - [ -0.0023356600000000, -0.0001613400000000, -0.0015820900000000 ] - [ -0.0004522400000000, -0.0003183800000000, 0.0001281700000000 ] - [ -0.0011153800000000, -0.0002305700000000, -0.0001214700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0083787800000000, 0.0246946800000000, -0.0015580600000000 ] - [ 0.0028776500000000, 0.0077508900000000, 0.0048351400000000 ] - [ 0.0014770300000000, -0.0050608400000000, -0.0001081800000000 ] - [ -0.0005328600000000, -0.0042948700000000, 0.0001240600000000 ] - [ -0.0016662500000000, -0.0016654600000000, 0.0012775800000000 ] - [ 0.0014720800000000, -0.0020527700000000, 0.0020170000000000 ] - [ 0.0021442000000000, -0.0020974200000000, -0.0030595700000000 ] - [ -0.0041171300000000, -0.0013072800000000, -0.0069645800000000 ] - [ 0.0010531500000000, 0.0070403200000000, -0.0007782000000000 ] - [ -0.0025951800000000, 0.0053242100000000, 0.0007420400000000 ] - [ 0.0001559700000000, -0.0026686500000000, -0.0006359600000000 ] - [ 0.0002591200000000, -0.0023133600000000, -0.0006482300000000 ] - [ -0.0044890000000000, -0.0027445100000000, -0.0032444300000000 ] - [ 0.0080720100000000, 0.0008781800000000, -0.0072503500000000 ] - [ 0.0001314400000000, -0.0030497500000000, 0.0007195700000000 ] - [ -0.0009799200000000, -0.0042119900000000, 0.0012295300000000 ] - [ 0.0282033900000000, 0.0732076800000000, 0.0371064700000000 ] - [ 0.0002625400000000, 0.0022690400000000, 0.0008676100000000 ] - [ 0.0004779200000000, -0.0023830300000000, -0.0003533500000000 ] - [ 0.0000761700000000, -0.0015340500000000, -0.0002651100000000 ] - [ -0.0006913200000000, -0.0021161200000000, 0.0029169000000000 ] - [ -0.0004221000000000, 0.0013123400000000, 0.0003308700000000 ] - [ 0.0002191200000000, -0.0021950900000000, -0.0006869300000000 ] - [ -0.0001397900000000, -0.0018495000000000, -0.0003198900000000 ] - [ -0.0009184100000000, -0.0023952200000000, -0.0013986900000000 ] - [ -0.0002413500000000, -0.0009472200000000, -0.0000051500000000 ] - [ 0.0014704000000000, 0.0004035200000000, 0.0019662600000000 ] - [ -0.0015156600000000, -0.0010372800000000, 0.0010751000000000 ] - [ -0.0024704300000000, 0.0055374800000000, -0.0018464000000000 ] - [ -0.0010186500000000, 0.0049429700000000, 0.0005156700000000 ] - [ -0.0000896100000000, -0.0017249400000000, -0.0004836700000000 ] - [ -0.0003033000000000, -0.0014936400000000, -0.0005471900000000 ] - [ 0.0033582900000000, 0.0004558300000000, -0.0032453000000000 ] - [ -0.0007244800000000, 0.0010235000000000, -0.0009290900000000 ] - [ -0.0000239600000000, -0.0016078300000000, -0.0000792400000000 ] - [ 0.0001765400000000, -0.0012471800000000, -0.0000381500000000 ] - [ 0.0007672000000000, -0.0005607400000000, -0.0001616300000000 ] - [ 0.0001616600000000, -0.0003847400000000, -0.0005387600000000 ] - [ 0.0004035400000000, -0.0011284800000000, -0.0000800000000000 ] - [ -0.0002741100000000, -0.0006564700000000, 0.0001138800000000 ] - [ -0.0090085900000000, 0.0522480000000000, 0.0267853600000000 ] - [ -0.0022218500000000, 0.0044700000000000, -0.0009112500000000 ] - [ -0.0002623000000000, -0.0020024200000000, 0.0002301700000000 ] - [ -0.0001489100000000, -0.0017515800000000, 0.0002389400000000 ] - [ -0.0050706700000000, -0.0091732600000000, 0.0072215600000000 ] - [ 0.0005913900000000, -0.0001253000000000, 0.0005312500000000 ] - [ 0.0051585800000000, -0.0051925000000000, 0.0028449200000000 ] - [ -0.0009571500000000, -0.0011316300000000, 0.0001534200000000 ] - [ -0.0000477500000000, 0.0013285400000000, 0.0000954400000000 ] - [ 0.0000928000000000, 0.0008598300000000, 0.0001470100000000 ] - [ -0.0010033200000000, 0.0009150700000000, 0.0012754600000000 ] - [ -0.0004358500000000, -0.0002037700000000, 0.0004414200000000 ] - [ 0.0006041300000000, -0.0015677700000000, 0.0019002300000000 ] - [ -0.0003382600000000, -0.0023206200000000, 0.0013225200000000 ] - [ 0.0011803800000000, 0.0010828600000000, 0.0004421900000000 ] - [ 0.0012763700000000, 0.0011292100000000, 0.0003755500000000 ] - [ -0.0030429200000000, 0.0469352700000000, 0.0242794200000000 ] - [ 0.0008576600000000, -0.0007816800000000, -0.0003363300000000 ] - [ -0.0006901700000000, 0.0031140400000000, -0.0015813000000000 ] - [ 0.0002261200000000, 0.0013812500000000, -0.0003943200000000 ] - [ 0.0030771100000000, 0.0038655200000000, 0.0004835100000000 ] - [ -0.0004792200000000, 0.0009491100000000, -0.0004270100000000 ] - [ -0.0013639400000000, 0.0006684200000000, -0.0019846700000000 ] - [ 0.0014641700000000, 0.0023159800000000, -0.0006057300000000 ] - [ -0.0024547000000000, 0.0032904200000000, -0.0021003400000000 ] - [ -0.0007907100000000, 0.0005734300000000, -0.0004780900000000 ] - [ 0.0035516500000000, 0.0213836400000000, 0.0065147700000000 ] - [ -0.0011323300000000, 0.0002027200000000, -0.0014158000000000 ] - [ -0.0006186400000000, 0.0034771500000000, 0.0009952900000000 ] - [ 0.0005503900000000, 0.0013591700000000, -0.0000596200000000 ] - [ -0.0008809700000000, 0.0018140200000000, -0.0018596300000000 ] - [ 0.0009050400000000, 0.0003489600000000, 0.0002204100000000 ] - [ -0.0394277300000000, -0.2195265000000000, -0.1323321500000000 ] - [ 0.0007020800000000, -0.0021061100000000, -0.0013688700000000 ] - [ 0.0009248600000000, 0.0016469700000000, 0.0000650200000000 ] - [ 0.0009498000000000, 0.0012600900000000, -0.0000897900000000 ] - [ -0.0005032500000000, -0.0029417100000000, -0.0024711200000000 ] - [ 0.0045142400000000, -0.0031764900000000, -0.0053726100000000 ] - [ 0.0001749500000000, 0.0017563600000000, 0.0005354500000000 ] - [ -0.0001157600000000, 0.0012598200000000, 0.0004243700000000 ] - [ 0.0127201400000000, -0.0031116100000000, -0.0174553300000000 ] - [ -0.0002069600000000, -0.0022688000000000, 0.0004622000000000 ] - [ -0.0000253400000000, 0.0019375400000000, -0.0002132300000000 ] - [ 0.0000930000000000, 0.0017487200000000, -0.0002818600000000 ] - [ 0.0004361800000000, -0.0029819300000000, 0.0033500000000000 ] - [ 0.0018988600000000, -0.0023848300000000, -0.0003251900000000 ] - [ 0.0002461800000000, 0.0010068900000000, -0.0001943500000000 ] - [ 0.0003052400000000, 0.0007951900000000, -0.0002162600000000 ] - [ -0.0008274300000000, -0.0024095800000000, 0.0007969600000000 ] - [ 0.0007598500000000, -0.0023117900000000, 0.0011489200000000 ] - [ -0.0000043200000000, 0.0011182400000000, -0.0004647200000000 ] - [ -0.0002569600000000, 0.0011752800000000, -0.0006155900000000 ] - [ 0.0218269200000000, 0.0006241200000000, 0.0135656200000000 ] - [ -0.0029824100000000, -0.0040027300000000, 0.0001191100000000 ] - [ -0.0004469700000000, 0.0018650300000000, 0.0000492100000000 ] - [ -0.0000957300000000, 0.0019301300000000, 0.0001760900000000 ] - [ 0.0011241000000000, 0.0010035700000000, -0.0023145400000000 ] - [ -0.0009002100000000, -0.0003128900000000, -0.0002600800000000 ] - [ -0.0013877300000000, 0.0015876800000000, 0.0011634500000000 ] - [ 0.0005710400000000, 0.0011526800000000, 0.0005696300000000 ] - [ -0.0006059200000000, -0.0074983000000000, 0.0144262100000000 ] - [ 0.0012838600000000, -0.0021338100000000, 0.0010647800000000 ] - [ -0.0001295000000000, 0.0018505000000000, 0.0001459600000000 ] - [ -0.0000704500000000, 0.0014027700000000, 0.0003735600000000 ] - [ -0.0023689100000000, 0.0019000000000000, 0.0230056400000000 ] - [ -0.0000221600000000, -0.0018460700000000, 0.0014411300000000 ] - [ 0.0000464200000000, 0.0010426100000000, 0.0001950500000000 ] - [ 0.0000654100000000, 0.0008319300000000, 0.0003076600000000 ] - [ 0.0005016500000000, 0.0003607800000000, -0.0009842400000000 ] - [ -0.0000393300000000, -0.0008043500000000, -0.0002759300000000 ] - [ -0.0001292000000000, 0.0006829700000000, -0.0000871700000000 ] - [ 0.0003393900000000, 0.0007938800000000, -0.0000177500000000 ] - [ -0.0270424600000000, 0.0105780900000000, 0.0129795500000000 ] - [ 0.0065668400000000, -0.0004732500000000, 0.0037528700000000 ] - [ 0.0004979700000000, 0.0011659800000000, 0.0001489100000000 ] - [ -0.0000132700000000, 0.0010784200000000, 0.0001108600000000 ] - [ -0.0005565400000000, 0.0006552400000000, 0.0009300800000000 ] - [ -0.0012587600000000, 0.0007789000000000, 0.0006905100000000 ] - [ -0.0011071100000000, 0.0006566600000000, -0.0002123300000000 ] - [ -0.0003390400000000, 0.0007758100000000, -0.0003273200000000 ] - [ -0.0013052900000000, 0.0012640700000000, -0.0032325500000000 ] - [ 0.0007585300000000, -0.0005441600000000, 0.0001488000000000 ] - [ 0.0000582000000000, 0.0017046400000000, 0.0011687800000000 ] - [ 0.0000000200000000, 0.0013617400000000, 0.0005838300000000 ] - [ -0.0010496700000000, -0.0007376800000000, 0.0005705000000000 ] - [ -0.0002247000000000, -0.0003568200000000, 0.0005277300000000 ] - [ -0.0004689200000000, 0.0009353600000000, -0.0004351300000000 ] - [ -0.0004259400000000, 0.0006664900000000, -0.0004066600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0083681700000000, -0.0260832600000000, 0.0014220300000000 ] - [ -0.0022649000000000, -0.0089627600000000, -0.0053377400000000 ] - [ -0.0008866000000000, 0.0038580500000000, -0.0004460900000000 ] - [ 0.0011111900000000, 0.0031007100000000, -0.0006804900000000 ] - [ 0.0010831800000000, 0.0028694000000000, -0.0007142700000000 ] - [ -0.0020501300000000, 0.0032495500000000, -0.0014505400000000 ] - [ -0.0026987000000000, 0.0032510800000000, 0.0035963000000000 ] - [ 0.0035304300000000, 0.0024525100000000, 0.0075818600000000 ] - [ -0.0004935300000000, -0.0058233400000000, 0.0001850600000000 ] - [ 0.0032175900000000, -0.0041272700000000, -0.0013397200000000 ] - [ 0.0004280500000000, 0.0038617800000000, 0.0000795100000000 ] - [ 0.0003228000000000, 0.0035036500000000, 0.0000883900000000 ] - [ 0.0039086100000000, 0.0015674600000000, 0.0038160400000000 ] - [ -0.0086167900000000, -0.0020542200000000, 0.0077618600000000 ] - [ -0.0007188300000000, 0.0018512000000000, -0.0001625600000000 ] - [ 0.0004066900000000, 0.0030227400000000, -0.0006776800000000 ] - [ -0.0261212600000000, -0.0703970400000000, -0.0335737200000000 ] - [ -0.0000262400000000, -0.0020155000000000, -0.0012073400000000 ] - [ -0.0002611500000000, 0.0026392500000000, 0.0000107600000000 ] - [ 0.0001499400000000, 0.0017821400000000, -0.0000776300000000 ] - [ 0.0004412500000000, 0.0019249000000000, -0.0025660500000000 ] - [ 0.0002070800000000, -0.0015592500000000, 0.0000141200000000 ] - [ -0.0004493200000000, 0.0019393300000000, 0.0010311200000000 ] - [ -0.0000768200000000, 0.0015970300000000, 0.0006643200000000 ] - [ 0.0006837200000000, 0.0026438100000000, 0.0017326400000000 ] - [ 0.0000237600000000, 0.0011987500000000, 0.0003474200000000 ] - [ -0.0017095500000000, -0.0001501000000000, -0.0016296100000000 ] - [ 0.0013027200000000, 0.0013089800000000, -0.0007237500000000 ] - [ 0.0019626400000000, -0.0053356000000000, 0.0014870200000000 ] - [ 0.0005337600000000, -0.0047508200000000, -0.0008760200000000 ] - [ -0.0004113800000000, 0.0019305200000000, 0.0001269900000000 ] - [ -0.0001926000000000, 0.0017003800000000, 0.0001916700000000 ] - [ -0.0031105000000000, -0.0007145400000000, 0.0028296500000000 ] - [ 0.0009524200000000, -0.0012749500000000, 0.0005832000000000 ] - [ 0.0002439600000000, 0.0013569400000000, -0.0002638600000000 ] - [ 0.0000475000000000, 0.0009946700000000, -0.0003048200000000 ] - [ -0.0002780200000000, 0.0003560300000000, 0.0005062900000000 ] - [ 0.0003438100000000, 0.0001837800000000, 0.0008887600000000 ] - [ 0.0000988000000000, 0.0009093000000000, 0.0004268300000000 ] - [ 0.0007775900000000, 0.0004423400000000, 0.0002363400000000 ] - [ 0.0086283200000000, -0.0523220700000000, -0.0272386900000000 ] - [ 0.0017340500000000, -0.0046918600000000, 0.0005651000000000 ] - [ -0.0002392500000000, 0.0017933300000000, -0.0005808200000000 ] - [ -0.0003470100000000, 0.0015426000000000, -0.0005908000000000 ] - [ 0.0055278500000000, 0.0093490600000000, -0.0068249900000000 ] - [ -0.0000869600000000, 0.0003384700000000, -0.0001758400000000 ] - [ -0.0047156400000000, 0.0054134000000000, -0.0025054600000000 ] - [ 0.0014619900000000, 0.0013324300000000, 0.0001925200000000 ] - [ -0.0001044800000000, -0.0010275900000000, -0.0000945400000000 ] - [ -0.0002517600000000, -0.0005608900000000, -0.0001448800000000 ] - [ 0.0008491600000000, -0.0005800300000000, -0.0012549300000000 ] - [ 0.0002745800000000, 0.0005098400000000, -0.0004334900000000 ] - [ 0.0009215800000000, 0.0016218900000000, -0.0011590600000000 ] - [ 0.0018572200000000, 0.0023643400000000, -0.0005728900000000 ] - [ 0.0003417200000000, -0.0010298500000000, 0.0002964700000000 ] - [ 0.0002438200000000, -0.0010774900000000, 0.0003617200000000 ] - [ 0.0028149600000000, -0.0463140800000000, -0.0236931200000000 ] - [ -0.0010209300000000, 0.0004748200000000, 0.0003388700000000 ] - [ 0.0005416200000000, -0.0034312200000000, 0.0015951400000000 ] - [ -0.0003797800000000, -0.0016774400000000, 0.0003953900000000 ] - [ -0.0029884500000000, -0.0034129900000000, -0.0012368300000000 ] - [ 0.0005396700000000, -0.0004999300000000, -0.0003341300000000 ] - [ 0.0014453200000000, -0.0002118700000000, 0.0012250800000000 ] - [ -0.0013802200000000, -0.0018460700000000, -0.0001577500000000 ] - [ 0.0009289200000000, -0.0032296300000000, 0.0013492600000000 ] - [ -0.0007302900000000, -0.0005239600000000, -0.0002613300000000 ] - [ -0.0051994700000000, -0.0218610000000000, -0.0073937300000000 ] - [ -0.0004022900000000, -0.0001445000000000, 0.0006743500000000 ] - [ 0.0009202700000000, -0.0030819800000000, -0.0005892900000000 ] - [ -0.0002500800000000, -0.0009931400000000, 0.0004588900000000 ] - [ 0.0011913500000000, -0.0014601800000000, 0.0022710100000000 ] - [ -0.0006089200000000, 0.0000263900000000, 0.0001704900000000 ] - [ 0.0392102400000000, 0.2170156500000000, 0.1275039200000000 ] - [ 0.0004231100000000, 0.0023764100000000, 0.0010986600000000 ] - [ 0.0002127700000000, -0.0013751700000000, -0.0003342400000000 ] - [ 0.0001855900000000, -0.0009876100000000, -0.0001790400000000 ] - [ 0.0006721800000000, 0.0026401400000000, 0.0024868600000000 ] - [ -0.0044030100000000, 0.0028753400000000, 0.0054124500000000 ] - [ -0.0000163500000000, -0.0020580800000000, -0.0005362800000000 ] - [ 0.0002672500000000, -0.0015607400000000, -0.0004248000000000 ] - [ -0.0125844200000000, 0.0033448800000000, 0.0174782300000000 ] - [ 0.0003629000000000, 0.0025712000000000, -0.0004634200000000 ] - [ 0.0001813100000000, -0.0016317700000000, 0.0002099900000000 ] - [ 0.0000611200000000, -0.0014444800000000, 0.0002802200000000 ] - [ 0.0007023600000000, 0.0027027700000000, -0.0036004400000000 ] - [ -0.0007738100000000, 0.0021169300000000, 0.0000646800000000 ] - [ 0.0008898300000000, -0.0012782900000000, -0.0000742700000000 ] - [ 0.0008284200000000, -0.0010680300000000, -0.0000518000000000 ] - [ 0.0005115400000000, 0.0020429400000000, -0.0011822600000000 ] - [ -0.0010632100000000, 0.0019485600000000, -0.0015484400000000 ] - [ -0.0002977300000000, -0.0014905500000000, 0.0000676400000000 ] - [ -0.0000469400000000, -0.0015473500000000, 0.0002181500000000 ] - [ -0.0221380400000000, -0.0004440400000000, -0.0139756700000000 ] - [ 0.0026547200000000, 0.0043717300000000, -0.0005150600000000 ] - [ 0.0001474900000000, -0.0014943300000000, -0.0004451500000000 ] - [ -0.0002104900000000, -0.0015583300000000, -0.0005730000000000 ] - [ -0.0022514200000000, -0.0012936400000000, 0.0025611600000000 ] - [ -0.0002377000000000, 0.0000373200000000, 0.0005264600000000 ] - [ 0.0002654700000000, -0.0018530300000000, -0.0009025200000000 ] - [ -0.0017139900000000, -0.0014247800000000, -0.0003019600000000 ] - [ 0.0005973100000000, 0.0078251400000000, -0.0136208900000000 ] - [ -0.0013616800000000, 0.0025816400000000, -0.0003082700000000 ] - [ 0.0000617900000000, -0.0014031500000000, 0.0006144400000000 ] - [ 0.0000008000000000, -0.0009532400000000, 0.0003853000000000 ] - [ 0.0022827000000000, -0.0021938700000000, -0.0222470200000000 ] - [ -0.0000551600000000, 0.0013994400000000, -0.0006848600000000 ] - [ -0.0001139600000000, -0.0014914900000000, 0.0005607700000000 ] - [ -0.0001352500000000, -0.0012808400000000, 0.0004488500000000 ] - [ -0.0004297700000000, -0.0008313800000000, 0.0002384300000000 ] - [ 0.0001037000000000, 0.0003530700000000, -0.0004797500000000 ] - [ 0.0001993000000000, -0.0011258300000000, -0.0006718000000000 ] - [ -0.0002740700000000, -0.0012424400000000, -0.0007417000000000 ] - [ 0.0287553600000000, -0.0105286200000000, -0.0123574000000000 ] - [ -0.0050792100000000, 0.0004330500000000, -0.0030569500000000 ] - [ 0.0010237300000000, -0.0012192600000000, 0.0005860900000000 ] - [ 0.0015307900000000, -0.0011301900000000, 0.0006223700000000 ] - [ -0.0005732700000000, -0.0003862200000000, -0.0006545700000000 ] - [ 0.0001129200000000, -0.0005031400000000, -0.0004167100000000 ] - [ -0.0000271500000000, -0.0003847500000000, 0.0004859600000000 ] - [ -0.0007995100000000, -0.0005057500000000, 0.0005970800000000 ] - [ 0.0016119300000000, -0.0016237000000000, 0.0035881600000000 ] - [ -0.0004632600000000, 0.0001648100000000, 0.0002457900000000 ] - [ 0.0002480800000000, -0.0020786600000000, -0.0007787300000000 ] - [ 0.0002984700000000, -0.0017266100000000, -0.0001863700000000 ] - [ -0.0004647700000000, 0.0006792800000000, -0.0013004400000000 ] - [ -0.0013042800000000, 0.0003030200000000, -0.0012673900000000 ] - [ -0.0010492100000000, -0.0009830500000000, -0.0002989600000000 ] - [ -0.0010953600000000, -0.0007173300000000, -0.0003295700000000 ]- atom: 73 displacement: [ -0.0001131837490638, 0.0000000000000000, 0.0099993594514323 ] forces: - [ -0.0118235100000000, -0.0030651000000000, 0.0287988700000000 ] - [ -0.0019235400000000, 0.0040407700000000, 0.0099746900000000 ] - [ 0.0004877400000000, -0.0018477900000000, 0.0005862100000000 ] - [ 0.0000769300000000, -0.0015928500000000, 0.0006454000000000 ] - [ 0.0004563800000000, 0.0022269000000000, 0.0009341300000000 ] - [ -0.0011483900000000, 0.0028421200000000, 0.0014627500000000 ] - [ 0.0035316500000000, -0.0048166100000000, -0.0016244300000000 ] - [ -0.0058644400000000, -0.0059298500000000, 0.0023511600000000 ] - [ -0.0041482900000000, 0.0047692800000000, -0.0105887100000000 ] - [ 0.0067282600000000, 0.0019312400000000, -0.0102949200000000 ] - [ 0.0001746400000000, -0.0001707300000000, -0.0010084100000000 ] - [ 0.0004533600000000, -0.0002442900000000, -0.0010993100000000 ] - [ -0.0029174700000000, -0.0034005800000000, -0.0040258800000000 ] - [ 0.0066923200000000, -0.0081949800000000, -0.0045416300000000 ] - [ -0.0000655200000000, -0.0003662600000000, -0.0001981200000000 ] - [ -0.0006847100000000, 0.0014325600000000, -0.0008072900000000 ] - [ 0.0209194800000000, 0.0471056400000000, 0.0980733500000000 ] - [ 0.0030181900000000, 0.0013243000000000, 0.0016596900000000 ] - [ 0.0000942000000000, -0.0000649300000000, -0.0000508700000000 ] - [ 0.0001978800000000, 0.0002813500000000, -0.0000720000000000 ] - [ -0.0016135400000000, 0.0112433000000000, -0.0013646800000000 ] - [ 0.0004036600000000, 0.0010768100000000, 0.0004753000000000 ] - [ -0.0001647600000000, -0.0010348000000000, 0.0000600200000000 ] - [ 0.0002926300000000, -0.0005174800000000, 0.0002625900000000 ] - [ -0.0006646700000000, -0.0007520100000000, -0.0004975900000000 ] - [ -0.0000264400000000, -0.0004802000000000, 0.0000157600000000 ] - [ -0.0015370000000000, 0.0038411500000000, -0.0002167600000000 ] - [ 0.0018297600000000, 0.0017104600000000, -0.0014692100000000 ] - [ -0.0096284000000000, 0.0063710500000000, -0.0115998800000000 ] - [ 0.0014349700000000, -0.0005187300000000, -0.0026450900000000 ] - [ -0.0002132300000000, -0.0003852300000000, -0.0006750700000000 ] - [ -0.0000787800000000, -0.0002579800000000, -0.0006063800000000 ] - [ 0.0069115700000000, -0.0018306300000000, -0.0116251900000000 ] - [ -0.0002591700000000, 0.0001060300000000, -0.0012727000000000 ] - [ 0.0000230200000000, 0.0000442800000000, -0.0002633300000000 ] - [ 0.0000824500000000, -0.0001293700000000, -0.0003215800000000 ] - [ -0.0015307200000000, -0.0005757000000000, -0.0028426400000000 ] - [ 0.0005702500000000, 0.0000899900000000, -0.0013105900000000 ] - [ 0.0011276700000000, -0.0019113800000000, -0.0019368000000000 ] - [ 0.0007309900000000, -0.0006258800000000, -0.0012721200000000 ] - [ -0.0321524800000000, 0.0123386800000000, 0.0807303400000000 ] - [ -0.0004309600000000, 0.0002139800000000, 0.0014853000000000 ] - [ -0.0004405100000000, -0.0005065200000000, 0.0002848000000000 ] - [ -0.0002691200000000, -0.0004335500000000, 0.0002709400000000 ] - [ -0.0029431400000000, -0.0032501700000000, 0.0060312100000000 ] - [ 0.0003315700000000, -0.0006058900000000, 0.0018805300000000 ] - [ 0.0002029400000000, -0.0002936600000000, 0.0020990500000000 ] - [ 0.0022522800000000, -0.0001460500000000, 0.0034913800000000 ] - [ 0.0001124700000000, -0.0000212900000000, 0.0008011000000000 ] - [ -0.0003074700000000, 0.0000668600000000, 0.0005045900000000 ] - [ -0.0008604100000000, 0.0048416600000000, 0.0037484100000000 ] - [ -0.0007718700000000, 0.0005931900000000, 0.0010087900000000 ] - [ 0.0041116400000000, 0.0003071800000000, 0.0050932100000000 ] - [ 0.0000885800000000, -0.0005333000000000, 0.0037494300000000 ] - [ 0.0009057700000000, 0.0001297600000000, 0.0008262500000000 ] - [ 0.0008369500000000, -0.0000198000000000, 0.0009399900000000 ] - [ 0.0007039500000000, 0.0204566500000000, -0.0031328000000000 ] - [ -0.0000583900000000, 0.0007007100000000, -0.0008175400000000 ] - [ 0.0001055700000000, 0.0003132600000000, -0.0008060500000000 ] - [ -0.0008999500000000, -0.0005799600000000, -0.0004845900000000 ] - [ 0.0012978900000000, 0.0019355600000000, -0.0005396000000000 ] - [ -0.0004012100000000, 0.0010387400000000, -0.0009314100000000 ] - [ 0.0004364700000000, 0.0000501300000000, -0.0021539100000000 ] - [ -0.0036318900000000, -0.0044984400000000, -0.0014968900000000 ] - [ -0.0012685000000000, 0.0010843000000000, -0.0021701900000000 ] - [ -0.0010862500000000, 0.0001302900000000, -0.0012833400000000 ] - [ 0.0004155400000000, 0.0023963700000000, -0.0058043400000000 ] - [ -0.0028030700000000, 0.0008794500000000, -0.0028509900000000 ] - [ 0.0002650000000000, 0.0017385700000000, 0.0003052500000000 ] - [ 0.0002303900000000, 0.0009561600000000, 0.0000122700000000 ] - [ 0.0011577400000000, -0.0030411700000000, 0.0015097600000000 ] - [ -0.0007133600000000, 0.0001074700000000, 0.0000088000000000 ] - [ 0.0607288300000000, -0.1302925300000000, -0.3351119000000000 ] - [ -0.0000072100000000, -0.0011059900000000, -0.0022110300000000 ] - [ 0.0007690800000000, 0.0003232600000000, -0.0004370300000000 ] - [ 0.0006799500000000, 0.0001670100000000, -0.0004759300000000 ] - [ 0.0029890500000000, -0.0030192100000000, 0.0021645000000000 ] - [ -0.0023340400000000, 0.0000339700000000, 0.0032668400000000 ] - [ 0.0002458100000000, 0.0004982200000000, 0.0002471100000000 ] - [ 0.0000467700000000, 0.0003776300000000, 0.0002169900000000 ] - [ -0.0227793600000000, -0.0119106500000000, 0.0281108900000000 ] - [ 0.0007983300000000, -0.0004441200000000, 0.0000107800000000 ] - [ 0.0000407100000000, 0.0007722900000000, -0.0001312900000000 ] - [ -0.0000327400000000, 0.0005954200000000, -0.0001682500000000 ] - [ -0.0000414900000000, -0.0036054300000000, 0.0100292700000000 ] - [ -0.0008738100000000, 0.0000764900000000, 0.0022258200000000 ] - [ 0.0004858200000000, -0.0000703600000000, 0.0001844700000000 ] - [ 0.0003935600000000, -0.0000482700000000, 0.0001946600000000 ] - [ -0.0023397400000000, 0.0003191400000000, 0.0015232100000000 ] - [ 0.0014277900000000, -0.0002212800000000, 0.0006574400000000 ] - [ -0.0000678200000000, -0.0002317600000000, -0.0000921700000000 ] - [ -0.0000261500000000, -0.0001662400000000, -0.0000297300000000 ] - [ 0.0203517700000000, 0.0103827200000000, 0.0043765900000000 ] - [ -0.0068707500000000, 0.0023925600000000, -0.0003162100000000 ] - [ -0.0002217500000000, 0.0003767100000000, -0.0002529200000000 ] - [ -0.0002281300000000, 0.0001599700000000, -0.0003244500000000 ] - [ -0.0001966400000000, -0.0025764200000000, -0.0026500900000000 ] - [ -0.0004546300000000, -0.0005159300000000, -0.0009708800000000 ] - [ 0.0002377800000000, 0.0009162600000000, -0.0006117900000000 ] - [ 0.0000047800000000, 0.0002960600000000, -0.0010406200000000 ] - [ -0.0018282500000000, 0.0177385800000000, 0.0625722600000000 ] - [ -0.0005814900000000, -0.0004102400000000, 0.0009603100000000 ] - [ 0.0000731400000000, 0.0004561800000000, 0.0004367600000000 ] - [ -0.0000893000000000, 0.0004038100000000, 0.0004920500000000 ] - [ -0.0018969500000000, 0.0211906700000000, 0.0501499600000000 ] - [ -0.0011387500000000, -0.0002901300000000, 0.0005496800000000 ] - [ -0.0000395000000000, -0.0000645500000000, 0.0002354200000000 ] - [ -0.0001312700000000, -0.0001241300000000, 0.0002727500000000 ] - [ 0.0001300600000000, -0.0033384400000000, 0.0023704800000000 ] - [ 0.0003050000000000, -0.0007462100000000, 0.0005508500000000 ] - [ -0.0000455500000000, 0.0006507700000000, -0.0000238600000000 ] - [ 0.0001997100000000, 0.0002946700000000, 0.0001262500000000 ] - [ -0.0243457700000000, 0.0160964400000000, -0.0023045600000000 ] - [ 0.0034156900000000, 0.0016679600000000, -0.0042819800000000 ] - [ 0.0006825100000000, -0.0001541400000000, -0.0002512700000000 ] - [ 0.0006746400000000, -0.0000892900000000, -0.0003419700000000 ] - [ -0.0006561200000000, 0.0004720200000000, 0.0014137900000000 ] - [ -0.0017618400000000, 0.0005925900000000, 0.0014617200000000 ] - [ -0.0004056900000000, -0.0006660700000000, 0.0014206700000000 ] - [ -0.0009742700000000, -0.0004319800000000, 0.0014731900000000 ] - [ 0.0025705400000000, -0.0052312800000000, 0.0028394400000000 ] - [ -0.0010851100000000, -0.0014837000000000, -0.0000811400000000 ] - [ 0.0002213400000000, 0.0006592200000000, 0.0003551200000000 ] - [ -0.0003621100000000, 0.0009551500000000, 0.0002911100000000 ] - [ -0.0003134900000000, 0.0009459900000000, 0.0043981200000000 ] - [ -0.0007243300000000, -0.0012534800000000, 0.0021370500000000 ] - [ -0.0002448200000000, 0.0005628600000000, 0.0007643500000000 ] - [ -0.0007353400000000, 0.0000442100000000, 0.0002506800000000 ]- atom: 73 displacement: [ 0.0001131837490638, 0.0000000000000000, -0.0099993594514323 ] forces: - [ 0.0116943700000000, 0.0014392800000000, -0.0290169000000000 ] - [ 0.0025336600000000, -0.0052717900000000, -0.0105353000000000 ] - [ 0.0000890800000000, 0.0006647900000000, -0.0011509800000000 ] - [ 0.0005110700000000, 0.0004071900000000, -0.0012102200000000 ] - [ -0.0010422700000000, -0.0010495400000000, -0.0003852100000000 ] - [ 0.0005721800000000, -0.0016685500000000, -0.0009233300000000 ] - [ -0.0041179200000000, 0.0060047300000000, 0.0021621900000000 ] - [ 0.0053275100000000, 0.0071746500000000, -0.0018727300000000 ] - [ 0.0048003500000000, -0.0036139400000000, 0.0100677800000000 ] - [ -0.0061963600000000, -0.0007305700000000, 0.0097803400000000 ] - [ 0.0004095300000000, 0.0013657700000000, 0.0004508500000000 ] - [ 0.0001279000000000, 0.0014378600000000, 0.0005420600000000 ] - [ 0.0023528500000000, 0.0022274200000000, 0.0046281000000000 ] - [ -0.0072841000000000, 0.0069816900000000, 0.0051944200000000 ] - [ -0.0005173400000000, -0.0008260700000000, 0.0007597500000000 ] - [ 0.0000974900000000, -0.0026262500000000, 0.0013713900000000 ] - [ -0.0183777300000000, -0.0425677700000000, -0.0946645800000000 ] - [ -0.0028248600000000, -0.0010711800000000, -0.0020173900000000 ] - [ 0.0001258000000000, 0.0003162400000000, -0.0002961300000000 ] - [ 0.0000216400000000, -0.0000250200000000, -0.0002744100000000 ] - [ 0.0014018300000000, -0.0115778800000000, 0.0017019300000000 ] - [ -0.0006325000000000, -0.0013329000000000, -0.0001361800000000 ] - [ -0.0000565700000000, 0.0007808700000000, 0.0002789600000000 ] - [ -0.0005097300000000, 0.0002628900000000, 0.0000810800000000 ] - [ 0.0004523400000000, 0.0010151300000000, 0.0008561900000000 ] - [ -0.0001919400000000, 0.0007347700000000, 0.0003333200000000 ] - [ 0.0013259000000000, -0.0035782900000000, 0.0005728800000000 ] - [ -0.0020549900000000, -0.0014795900000000, 0.0018039900000000 ] - [ 0.0090819600000000, -0.0061478200000000, 0.0112735100000000 ] - [ -0.0019347000000000, 0.0007452100000000, 0.0023199500000000 ] - [ -0.0002852800000000, 0.0005916900000000, 0.0003267300000000 ] - [ -0.0004195600000000, 0.0004635300000000, 0.0002558000000000 ] - [ -0.0067594500000000, 0.0015711600000000, 0.0112904400000000 ] - [ 0.0004856400000000, -0.0003579400000000, 0.0009253800000000 ] - [ 0.0001961000000000, -0.0003045800000000, -0.0000826400000000 ] - [ 0.0001375400000000, -0.0001299300000000, -0.0000242100000000 ] - [ 0.0020279100000000, 0.0003606800000000, 0.0032130900000000 ] - [ -0.0000742600000000, -0.0002954500000000, 0.0016712000000000 ] - [ -0.0006386900000000, 0.0017250600000000, 0.0022987100000000 ] - [ -0.0002316700000000, 0.0004239100000000, 0.0016279000000000 ] - [ 0.0364103800000000, -0.0146139300000000, -0.0871083100000000 ] - [ -0.0000853900000000, -0.0004030800000000, -0.0018585100000000 ] - [ -0.0000577100000000, 0.0003034300000000, -0.0006396100000000 ] - [ -0.0002289200000000, 0.0002305800000000, -0.0006250700000000 ] - [ 0.0034813800000000, 0.0035099200000000, -0.0057447600000000 ] - [ 0.0001669200000000, 0.0008143900000000, -0.0015383100000000 ] - [ 0.0003241800000000, 0.0004719100000000, -0.0017359200000000 ] - [ -0.0017518100000000, 0.0003474700000000, -0.0031336700000000 ] - [ -0.0002962300000000, 0.0003304200000000, -0.0007902000000000 ] - [ 0.0001208900000000, 0.0002337300000000, -0.0004924300000000 ] - [ 0.0006837700000000, -0.0045994200000000, -0.0037644600000000 ] - [ 0.0005877500000000, -0.0002998200000000, -0.0009933000000000 ] - [ -0.0025504000000000, -0.0002272700000000, -0.0043779600000000 ] - [ 0.0014410800000000, 0.0005955100000000, -0.0030322300000000 ] - [ 0.0006367100000000, -0.0000697100000000, -0.0000848300000000 ] - [ 0.0007059200000000, 0.0000810500000000, -0.0002002300000000 ] - [ -0.0008707900000000, -0.0209748600000000, 0.0028989200000000 ] - [ -0.0001197000000000, -0.0010045600000000, 0.0008353200000000 ] - [ -0.0002904600000000, -0.0006038200000000, 0.0008130400000000 ] - [ 0.0007142500000000, 0.0002784400000000, 0.0004983300000000 ] - [ -0.0012314100000000, -0.0015086300000000, -0.0002148600000000 ] - [ 0.0004857600000000, -0.0005901300000000, 0.0001744800000000 ] - [ -0.0003564400000000, 0.0003974500000000, 0.0013911500000000 ] - [ 0.0036950600000000, 0.0049165700000000, 0.0007502200000000 ] - [ -0.0002699000000000, -0.0010306700000000, 0.0014422800000000 ] - [ -0.0004561300000000, -0.0000686500000000, 0.0005464400000000 ] - [ -0.0019188900000000, -0.0022093100000000, 0.0051467800000000 ] - [ 0.0012665500000000, -0.0008210000000000, 0.0021114000000000 ] - [ 0.0000129600000000, -0.0013852300000000, 0.0000823600000000 ] - [ 0.0000372900000000, -0.0005884100000000, 0.0003839100000000 ] - [ -0.0009029300000000, 0.0034169200000000, -0.0011242300000000 ] - [ 0.0009883300000000, 0.0002688700000000, 0.0003879600000000 ] - [ -0.0662728500000000, 0.1287005500000000, 0.3368885200000000 ] - [ 0.0011265000000000, 0.0013687300000000, 0.0019537600000000 ] - [ 0.0003445200000000, -0.0000640000000000, 0.0001754000000000 ] - [ 0.0004316400000000, 0.0000904400000000, 0.0002138400000000 ] - [ -0.0027908700000000, 0.0027107700000000, -0.0021716100000000 ] - [ 0.0025736400000000, -0.0003496600000000, -0.0033331200000000 ] - [ -0.0000619200000000, -0.0008009300000000, -0.0002640300000000 ] - [ 0.0001375800000000, -0.0006771400000000, -0.0002329100000000 ] - [ 0.0233919600000000, 0.0123890400000000, -0.0284882100000000 ] - [ -0.0006213300000000, 0.0007371900000000, -0.0000106300000000 ] - [ 0.0001399500000000, -0.0004729300000000, 0.0001190200000000 ] - [ 0.0002162100000000, -0.0002969400000000, 0.0001564000000000 ] - [ 0.0011646900000000, 0.0033440800000000, -0.0103135500000000 ] - [ 0.0020043900000000, -0.0003477900000000, -0.0025082000000000 ] - [ 0.0006272600000000, -0.0001875100000000, -0.0004531500000000 ] - [ 0.0007192300000000, -0.0002112300000000, -0.0004614300000000 ] - [ 0.0020935600000000, -0.0007001900000000, -0.0019104100000000 ] - [ -0.0017177300000000, -0.0001591800000000, -0.0010524400000000 ] - [ -0.0002038700000000, -0.0001374200000000, -0.0003049900000000 ] - [ -0.0002444800000000, -0.0002049700000000, -0.0003681200000000 ] - [ -0.0206638800000000, -0.0099905800000000, -0.0049424100000000 ] - [ 0.0066324700000000, -0.0020433400000000, -0.0001184100000000 ] - [ -0.0000519300000000, -0.0000053100000000, -0.0001427600000000 ] - [ -0.0000415200000000, 0.0002094800000000, -0.0000718600000000 ] - [ -0.0009243400000000, 0.0023326900000000, 0.0029425300000000 ] - [ -0.0006549800000000, 0.0002586600000000, 0.0012458300000000 ] - [ -0.0013562600000000, -0.0011723400000000, 0.0008838500000000 ] - [ -0.0011188200000000, -0.0005536300000000, 0.0013114700000000 ] - [ 0.0015834600000000, -0.0167945500000000, -0.0602978800000000 ] - [ 0.0004989900000000, 0.0008610900000000, -0.0002188800000000 ] - [ -0.0001570800000000, -0.0000071000000000, 0.0003145600000000 ] - [ 0.0000038200000000, 0.0000437700000000, 0.0002618700000000 ] - [ 0.0017742200000000, -0.0221698000000000, -0.0504897500000000 ] - [ 0.0010547500000000, -0.0001637000000000, 0.0002165100000000 ] - [ -0.0000443600000000, -0.0003851000000000, 0.0005204100000000 ] - [ 0.0000462100000000, -0.0003252000000000, 0.0004820000000000 ] - [ -0.0000451700000000, 0.0029141700000000, -0.0031405300000000 ] - [ -0.0002256900000000, 0.0003034200000000, -0.0013052600000000 ] - [ 0.0001363000000000, -0.0011065700000000, -0.0007278600000000 ] - [ -0.0001169600000000, -0.0007476100000000, -0.0008808400000000 ] - [ 0.0258297700000000, -0.0160829500000000, 0.0033058200000000 ] - [ -0.0018559600000000, -0.0017098700000000, 0.0050597300000000 ] - [ 0.0008603500000000, 0.0000938400000000, 0.0009999600000000 ] - [ 0.0008693100000000, 0.0000287500000000, 0.0010904000000000 ] - [ -0.0004556800000000, -0.0002102900000000, -0.0011659500000000 ] - [ 0.0006477900000000, -0.0003334700000000, -0.0012033300000000 ] - [ -0.0007078300000000, 0.0009226800000000, -0.0011649000000000 ] - [ -0.0001384500000000, 0.0006952000000000, -0.0012101900000000 ] - [ -0.0023238100000000, 0.0049208000000000, -0.0024680000000000 ] - [ 0.0013713200000000, 0.0011249400000000, 0.0004823700000000 ] - [ 0.0000496600000000, -0.0010319300000000, 0.0000456600000000 ] - [ 0.0006311400000000, -0.0013245300000000, 0.0001054000000000 ] - [ -0.0012327800000000, -0.0009875500000000, -0.0051470900000000 ] - [ -0.0008165000000000, 0.0012062200000000, -0.0028987800000000 ] - [ -0.0013023600000000, -0.0006320900000000, -0.0015131100000000 ] - [ -0.0008080800000000, -0.0001067300000000, -0.0009961900000000 ]