# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bcf36f07-6fba-4079-b61e-d1a8ef549088/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 Ba7Sn3Se13 / Pnma (62) / materials id 569754](https://mdr.nims.go.jp/datasets/f8e365c5-47d6-4990-9712-068146099999) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.606740690000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 24.942194149999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.180899459999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.342481080000000, 0.843778630000000, 0.902951950000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.024954300000000, 0.158056810000000, 0.912207880000000 ] mass: 137.327000 - symbol: Ba # 3 coordinates: [ 0.842481080000000, 0.656221370000000, 0.597048050000000 ] mass: 137.327000 - symbol: Ba # 4 coordinates: [ 0.313198010000000, 0.029976280000000, 0.879986630000000 ] mass: 137.327000 - symbol: Ba # 5 coordinates: [ 0.657518920000000, 0.156221370000000, 0.097048050000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.024954300000000, 0.341943190000000, 0.912207880000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.157518920000000, 0.343778630000000, 0.402951950000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.524954300000000, 0.341943190000000, 0.587792120000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.686801990000000, 0.529976280000000, 0.120013370000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.143612550000000, 0.750000000000000, 0.605750410000000 ] mass: 137.327000 - symbol: Ba # 11 coordinates: [ 0.856387450000000, 0.250000000000000, 0.394249590000000 ] mass: 137.327000 - symbol: Ba # 12 coordinates: [ 0.342481080000000, 0.656221370000000, 0.902951950000000 ] mass: 137.327000 - symbol: Ba # 13 coordinates: [ 0.157518920000000, 0.156221370000000, 0.402951950000000 ] mass: 137.327000 - symbol: Ba # 14 coordinates: [ 0.356387450000000, 0.250000000000000, 0.105750410000000 ] mass: 137.327000 - symbol: Ba # 15 coordinates: [ 0.186801990000000, 0.529976280000000, 0.379986630000000 ] mass: 137.327000 - symbol: Ba # 16 coordinates: [ 0.313198010000000, 0.470023720000000, 0.879986630000000 ] mass: 137.327000 - symbol: Ba # 17 coordinates: [ 0.975045700000000, 0.841943190000000, 0.087792120000000 ] mass: 137.327000 - symbol: Ba # 18 coordinates: [ 0.475045700000000, 0.658056810000000, 0.412207880000000 ] mass: 137.327000 - symbol: Ba # 19 coordinates: [ 0.813198010000000, 0.029976280000000, 0.620013370000000 ] mass: 137.327000 - symbol: Ba # 20 coordinates: [ 0.813198010000000, 0.470023720000000, 0.620013370000000 ] mass: 137.327000 - symbol: Ba # 21 coordinates: [ 0.842481080000000, 0.843778630000000, 0.597048050000000 ] mass: 137.327000 - symbol: Ba # 22 coordinates: [ 0.475045700000000, 0.841943190000000, 0.412207880000000 ] mass: 137.327000 - symbol: Ba # 23 coordinates: [ 0.686801990000000, 0.970023720000000, 0.120013370000000 ] mass: 137.327000 - symbol: Ba # 24 coordinates: [ 0.657518920000000, 0.343778630000000, 0.097048050000000 ] mass: 137.327000 - symbol: Ba # 25 coordinates: [ 0.975045700000000, 0.658056810000000, 0.087792120000000 ] mass: 137.327000 - symbol: Ba # 26 coordinates: [ 0.643612550000000, 0.750000000000000, 0.894249590000000 ] mass: 137.327000 - symbol: Ba # 27 coordinates: [ 0.524954300000000, 0.158056810000000, 0.587792120000000 ] mass: 137.327000 - symbol: Ba # 28 coordinates: [ 0.186801990000000, 0.970023720000000, 0.379986630000000 ] mass: 137.327000 - symbol: Sn # 29 coordinates: [ 0.047552050000000, 0.949067790000000, 0.803204020000000 ] mass: 118.710000 - symbol: Sn # 30 coordinates: [ 0.047552050000000, 0.550932210000000, 0.803204020000000 ] mass: 118.710000 - symbol: Sn # 31 coordinates: [ 0.744405330000000, 0.250000000000000, 0.804503430000000 ] mass: 118.710000 - symbol: Sn # 32 coordinates: [ 0.952447950000000, 0.449067790000000, 0.196795980000000 ] mass: 118.710000 - symbol: Sn # 33 coordinates: [ 0.452447950000000, 0.449067790000000, 0.303204020000000 ] mass: 118.710000 - symbol: Sn # 34 coordinates: [ 0.244405330000000, 0.250000000000000, 0.695496570000000 ] mass: 118.710000 - symbol: Sn # 35 coordinates: [ 0.255594670000000, 0.750000000000000, 0.195496570000000 ] mass: 118.710000 - symbol: Sn # 36 coordinates: [ 0.547552050000000, 0.550932210000000, 0.696795980000000 ] mass: 118.710000 - symbol: Sn # 37 coordinates: [ 0.952447950000000, 0.050932210000000, 0.196795980000000 ] mass: 118.710000 - symbol: Sn # 38 coordinates: [ 0.547552050000000, 0.949067790000000, 0.696795980000000 ] mass: 118.710000 - symbol: Sn # 39 coordinates: [ 0.755594670000000, 0.750000000000000, 0.304503430000000 ] mass: 118.710000 - symbol: Sn # 40 coordinates: [ 0.452447950000000, 0.050932210000000, 0.303204020000000 ] mass: 118.710000 - symbol: Se # 41 coordinates: [ 0.213099270000000, 0.833519340000000, 0.333889740000000 ] mass: 78.960000 - symbol: Se # 42 coordinates: [ 0.713099270000000, 0.833519340000000, 0.166110260000000 ] mass: 78.960000 - symbol: Se # 43 coordinates: [ 0.286900730000000, 0.333519340000000, 0.833889740000000 ] mass: 78.960000 - symbol: Se # 44 coordinates: [ 0.165677980000000, 0.571325130000000, 0.019203710000000 ] mass: 78.960000 - symbol: Se # 45 coordinates: [ 0.079905940000000, 0.459866790000000, 0.686648890000000 ] mass: 78.960000 - symbol: Se # 46 coordinates: [ 0.354135020000000, 0.927136540000000, 0.640450510000000 ] mass: 78.960000 - symbol: Se # 47 coordinates: [ 0.645864980000000, 0.427136540000000, 0.359549490000000 ] mass: 78.960000 - symbol: Se # 48 coordinates: [ 0.646494370000000, 0.750000000000000, 0.536792880000000 ] mass: 78.960000 - symbol: Se # 49 coordinates: [ 0.420094060000000, 0.540133210000000, 0.186648890000000 ] mass: 78.960000 - symbol: Se # 50 coordinates: [ 0.334322020000000, 0.428674870000000, 0.519203710000000 ] mass: 78.960000 - symbol: Se # 51 coordinates: [ 0.955079590000000, 0.750000000000000, 0.356295100000000 ] mass: 78.960000 - symbol: Se # 52 coordinates: [ 0.334322020000000, 0.071325130000000, 0.519203710000000 ] mass: 78.960000 - symbol: Se # 53 coordinates: [ 0.834322020000000, 0.428674870000000, 0.980796290000000 ] mass: 78.960000 - symbol: Se # 54 coordinates: [ 0.286900730000000, 0.166480660000000, 0.833889740000000 ] mass: 78.960000 - symbol: Se # 55 coordinates: [ 0.645864980000000, 0.072863460000000, 0.359549490000000 ] mass: 78.960000 - symbol: Se # 56 coordinates: [ 0.044920410000000, 0.250000000000000, 0.643704900000000 ] mass: 78.960000 - symbol: Se # 57 coordinates: [ 0.396809410000000, 0.750000000000000, 0.671301160000000 ] mass: 78.960000 - symbol: Se # 58 coordinates: [ 0.103190590000000, 0.250000000000000, 0.171301160000000 ] mass: 78.960000 - symbol: Se # 59 coordinates: [ 0.786900730000000, 0.166480660000000, 0.666110260000000 ] mass: 78.960000 - symbol: Se # 60 coordinates: [ 0.896809410000000, 0.750000000000000, 0.828698840000000 ] mass: 78.960000 - symbol: Se # 61 coordinates: [ 0.420094060000000, 0.959866790000000, 0.186648890000000 ] mass: 78.960000 - symbol: Se # 62 coordinates: [ 0.405227550000000, 0.120912030000000, 0.112622160000000 ] mass: 78.960000 - symbol: Se # 63 coordinates: [ 0.354135020000000, 0.572863460000000, 0.640450510000000 ] mass: 78.960000 - symbol: Se # 64 coordinates: [ 0.905227550000000, 0.120912030000000, 0.387377840000000 ] mass: 78.960000 - symbol: Se # 65 coordinates: [ 0.713099270000000, 0.666480660000000, 0.166110260000000 ] mass: 78.960000 - symbol: Se # 66 coordinates: [ 0.213099270000000, 0.666480660000000, 0.333889740000000 ] mass: 78.960000 - symbol: Se # 67 coordinates: [ 0.094772450000000, 0.879087970000000, 0.612622160000000 ] mass: 78.960000 - symbol: Se # 68 coordinates: [ 0.544920410000000, 0.250000000000000, 0.856295100000000 ] mass: 78.960000 - symbol: Se # 69 coordinates: [ 0.603190590000000, 0.250000000000000, 0.328698840000000 ] mass: 78.960000 - symbol: Se # 70 coordinates: [ 0.786900730000000, 0.333519340000000, 0.666110260000000 ] mass: 78.960000 - symbol: Se # 71 coordinates: [ 0.594772450000000, 0.620912030000000, 0.887377840000000 ] mass: 78.960000 - symbol: Se # 72 coordinates: [ 0.854135020000000, 0.927136540000000, 0.859549490000000 ] mass: 78.960000 - symbol: Se # 73 coordinates: [ 0.920094060000000, 0.540133210000000, 0.313351110000000 ] mass: 78.960000 - symbol: Se # 74 coordinates: [ 0.665677980000000, 0.571325130000000, 0.480796290000000 ] mass: 78.960000 - symbol: Se # 75 coordinates: [ 0.146494370000000, 0.750000000000000, 0.963207120000000 ] mass: 78.960000 - symbol: Se # 76 coordinates: [ 0.665677980000000, 0.928674870000000, 0.480796290000000 ] mass: 78.960000 - symbol: Se # 77 coordinates: [ 0.079905940000000, 0.040133210000000, 0.686648890000000 ] mass: 78.960000 - symbol: Se # 78 coordinates: [ 0.455079590000000, 0.750000000000000, 0.143704900000000 ] mass: 78.960000 - symbol: Se # 79 coordinates: [ 0.854135020000000, 0.572863460000000, 0.859549490000000 ] mass: 78.960000 - symbol: Se # 80 coordinates: [ 0.594772450000000, 0.879087970000000, 0.887377840000000 ] mass: 78.960000 - symbol: Se # 81 coordinates: [ 0.579905940000000, 0.459866790000000, 0.813351110000000 ] mass: 78.960000 - symbol: Se # 82 coordinates: [ 0.920094060000000, 0.959866790000000, 0.313351110000000 ] mass: 78.960000 - symbol: Se # 83 coordinates: [ 0.094772450000000, 0.620912030000000, 0.612622160000000 ] mass: 78.960000 - symbol: Se # 84 coordinates: [ 0.579905940000000, 0.040133210000000, 0.813351110000000 ] mass: 78.960000 - symbol: Se # 85 coordinates: [ 0.853505630000000, 0.250000000000000, 0.036792880000000 ] mass: 78.960000 - symbol: Se # 86 coordinates: [ 0.834322020000000, 0.071325130000000, 0.980796290000000 ] mass: 78.960000 - symbol: Se # 87 coordinates: [ 0.353505630000000, 0.250000000000000, 0.463207120000000 ] mass: 78.960000 - symbol: Se # 88 coordinates: [ 0.145864980000000, 0.072863460000000, 0.140450510000000 ] mass: 78.960000 - symbol: Se # 89 coordinates: [ 0.905227550000000, 0.379087970000000, 0.387377840000000 ] mass: 78.960000 - symbol: Se # 90 coordinates: [ 0.165677980000000, 0.928674870000000, 0.019203710000000 ] mass: 78.960000 - symbol: Se # 91 coordinates: [ 0.405227550000000, 0.379087970000000, 0.112622160000000 ] mass: 78.960000 - symbol: Se # 92 coordinates: [ 0.145864980000000, 0.427136540000000, 0.140450510000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.079322643702287, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.040092703712676, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.108921789673972 ] # c*unit_cell: lattice: - [ 12.606740690000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 24.942194149999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.180899459999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.342481080000000, 0.843778630000000, 0.902951950000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.024954300000000, 0.158056810000000, 0.912207880000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.842481080000000, 0.656221370000000, 0.597048050000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.313198010000000, 0.029976280000000, 0.879986630000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.657518920000000, 0.156221370000000, 0.097048050000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.024954300000000, 0.341943190000000, 0.912207880000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.157518920000000, 0.343778630000000, 0.402951950000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.524954300000000, 0.341943190000000, 0.587792120000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.686801990000000, 0.529976280000000, 0.120013370000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.143612550000000, 0.750000000000000, 0.605750410000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.856387450000000, 0.250000000000000, 0.394249590000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.342481080000000, 0.656221370000000, 0.902951950000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.157518920000000, 0.156221370000000, 0.402951950000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.356387450000000, 0.250000000000000, 0.105750410000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.186801990000000, 0.529976280000000, 0.379986630000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.313198010000000, 0.470023720000000, 0.879986630000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.975045700000000, 0.841943190000000, 0.087792120000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.475045700000000, 0.658056810000000, 0.412207880000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 19 coordinates: [ 0.813198010000000, 0.029976280000000, 0.620013370000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.813198010000000, 0.470023720000000, 0.620013370000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 21 coordinates: [ 0.842481080000000, 0.843778630000000, 0.597048050000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 22 coordinates: [ 0.475045700000000, 0.841943190000000, 0.412207880000000 ] mass: 137.327000 reduced_to: 22 - symbol: Ba # 23 coordinates: [ 0.686801990000000, 0.970023720000000, 0.120013370000000 ] mass: 137.327000 reduced_to: 23 - symbol: Ba # 24 coordinates: [ 0.657518920000000, 0.343778630000000, 0.097048050000000 ] mass: 137.327000 reduced_to: 24 - symbol: Ba # 25 coordinates: [ 0.975045700000000, 0.658056810000000, 0.087792120000000 ] mass: 137.327000 reduced_to: 25 - symbol: Ba # 26 coordinates: [ 0.643612550000000, 0.750000000000000, 0.894249590000000 ] mass: 137.327000 reduced_to: 26 - symbol: Ba # 27 coordinates: [ 0.524954300000000, 0.158056810000000, 0.587792120000000 ] mass: 137.327000 reduced_to: 27 - symbol: Ba # 28 coordinates: [ 0.186801990000000, 0.970023720000000, 0.379986630000000 ] mass: 137.327000 reduced_to: 28 - symbol: Sn # 29 coordinates: [ 0.047552050000000, 0.949067790000000, 0.803204020000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 30 coordinates: [ 0.047552050000000, 0.550932210000000, 0.803204020000000 ] mass: 118.710000 reduced_to: 30 - symbol: Sn # 31 coordinates: [ 0.744405330000000, 0.250000000000000, 0.804503430000000 ] mass: 118.710000 reduced_to: 31 - symbol: Sn # 32 coordinates: [ 0.952447950000000, 0.449067790000000, 0.196795980000000 ] mass: 118.710000 reduced_to: 32 - symbol: Sn # 33 coordinates: [ 0.452447950000000, 0.449067790000000, 0.303204020000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 34 coordinates: [ 0.244405330000000, 0.250000000000000, 0.695496570000000 ] mass: 118.710000 reduced_to: 34 - symbol: Sn # 35 coordinates: [ 0.255594670000000, 0.750000000000000, 0.195496570000000 ] mass: 118.710000 reduced_to: 35 - symbol: Sn # 36 coordinates: [ 0.547552050000000, 0.550932210000000, 0.696795980000000 ] mass: 118.710000 reduced_to: 36 - symbol: Sn # 37 coordinates: [ 0.952447950000000, 0.050932210000000, 0.196795980000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 38 coordinates: [ 0.547552050000000, 0.949067790000000, 0.696795980000000 ] mass: 118.710000 reduced_to: 38 - symbol: Sn # 39 coordinates: [ 0.755594670000000, 0.750000000000000, 0.304503430000000 ] mass: 118.710000 reduced_to: 39 - symbol: Sn # 40 coordinates: [ 0.452447950000000, 0.050932210000000, 0.303204020000000 ] mass: 118.710000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.213099270000000, 0.833519340000000, 0.333889740000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.713099270000000, 0.833519340000000, 0.166110260000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.286900730000000, 0.333519340000000, 0.833889740000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.165677980000000, 0.571325130000000, 0.019203710000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.079905940000000, 0.459866790000000, 0.686648890000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.354135020000000, 0.927136540000000, 0.640450510000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.645864980000000, 0.427136540000000, 0.359549490000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.646494370000000, 0.750000000000000, 0.536792880000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.420094060000000, 0.540133210000000, 0.186648890000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.334322020000000, 0.428674870000000, 0.519203710000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.955079590000000, 0.750000000000000, 0.356295100000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.334322020000000, 0.071325130000000, 0.519203710000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.834322020000000, 0.428674870000000, 0.980796290000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.286900730000000, 0.166480660000000, 0.833889740000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.645864980000000, 0.072863460000000, 0.359549490000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.044920410000000, 0.250000000000000, 0.643704900000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.396809410000000, 0.750000000000000, 0.671301160000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.103190590000000, 0.250000000000000, 0.171301160000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.786900730000000, 0.166480660000000, 0.666110260000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.896809410000000, 0.750000000000000, 0.828698840000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.420094060000000, 0.959866790000000, 0.186648890000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.405227550000000, 0.120912030000000, 0.112622160000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.354135020000000, 0.572863460000000, 0.640450510000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.905227550000000, 0.120912030000000, 0.387377840000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.713099270000000, 0.666480660000000, 0.166110260000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.213099270000000, 0.666480660000000, 0.333889740000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 67 coordinates: [ 0.094772450000000, 0.879087970000000, 0.612622160000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.544920410000000, 0.250000000000000, 0.856295100000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 69 coordinates: [ 0.603190590000000, 0.250000000000000, 0.328698840000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.786900730000000, 0.333519340000000, 0.666110260000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 71 coordinates: [ 0.594772450000000, 0.620912030000000, 0.887377840000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 72 coordinates: [ 0.854135020000000, 0.927136540000000, 0.859549490000000 ] mass: 78.960000 reduced_to: 72 - symbol: Se # 73 coordinates: [ 0.920094060000000, 0.540133210000000, 0.313351110000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.665677980000000, 0.571325130000000, 0.480796290000000 ] mass: 78.960000 reduced_to: 74 - symbol: Se # 75 coordinates: [ 0.146494370000000, 0.750000000000000, 0.963207120000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 76 coordinates: [ 0.665677980000000, 0.928674870000000, 0.480796290000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 77 coordinates: [ 0.079905940000000, 0.040133210000000, 0.686648890000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.455079590000000, 0.750000000000000, 0.143704900000000 ] mass: 78.960000 reduced_to: 78 - symbol: Se # 79 coordinates: [ 0.854135020000000, 0.572863460000000, 0.859549490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.594772450000000, 0.879087970000000, 0.887377840000000 ] mass: 78.960000 reduced_to: 80 - symbol: Se # 81 coordinates: [ 0.579905940000000, 0.459866790000000, 0.813351110000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 82 coordinates: [ 0.920094060000000, 0.959866790000000, 0.313351110000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 83 coordinates: [ 0.094772450000000, 0.620912030000000, 0.612622160000000 ] mass: 78.960000 reduced_to: 83 - symbol: Se # 84 coordinates: [ 0.579905940000000, 0.040133210000000, 0.813351110000000 ] mass: 78.960000 reduced_to: 84 - symbol: Se # 85 coordinates: [ 0.853505630000000, 0.250000000000000, 0.036792880000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.834322020000000, 0.071325130000000, 0.980796290000000 ] mass: 78.960000 reduced_to: 86 - symbol: Se # 87 coordinates: [ 0.353505630000000, 0.250000000000000, 0.463207120000000 ] mass: 78.960000 reduced_to: 87 - symbol: Se # 88 coordinates: [ 0.145864980000000, 0.072863460000000, 0.140450510000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 89 coordinates: [ 0.905227550000000, 0.379087970000000, 0.387377840000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 90 coordinates: [ 0.165677980000000, 0.928674870000000, 0.019203710000000 ] mass: 78.960000 reduced_to: 90 - symbol: Se # 91 coordinates: [ 0.405227550000000, 0.379087970000000, 0.112622160000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.145864980000000, 0.427136540000000, 0.140450510000000 ] mass: 78.960000 reduced_to: 92supercell: lattice: - [ 12.606740690000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 24.942194149999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.180899459999999 ] # c points: - symbol: Ba # 1 coordinates: [ 0.342481080000000, 0.843778630000000, 0.902951950000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.024954300000000, 0.158056810000000, 0.912207880000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.842481080000000, 0.656221370000000, 0.597048050000000 ] mass: 137.327000 reduced_to: 3 - symbol: Ba # 4 coordinates: [ 0.313198010000000, 0.029976280000000, 0.879986630000000 ] mass: 137.327000 reduced_to: 4 - symbol: Ba # 5 coordinates: [ 0.657518920000000, 0.156221370000000, 0.097048050000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.024954300000000, 0.341943190000000, 0.912207880000000 ] mass: 137.327000 reduced_to: 6 - symbol: Ba # 7 coordinates: [ 0.157518920000000, 0.343778630000000, 0.402951950000000 ] mass: 137.327000 reduced_to: 7 - symbol: Ba # 8 coordinates: [ 0.524954300000000, 0.341943190000000, 0.587792120000000 ] mass: 137.327000 reduced_to: 8 - symbol: Ba # 9 coordinates: [ 0.686801990000000, 0.529976280000000, 0.120013370000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.143612550000000, 0.750000000000000, 0.605750410000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.856387450000000, 0.250000000000000, 0.394249590000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.342481080000000, 0.656221370000000, 0.902951950000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.157518920000000, 0.156221370000000, 0.402951950000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.356387450000000, 0.250000000000000, 0.105750410000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.186801990000000, 0.529976280000000, 0.379986630000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.313198010000000, 0.470023720000000, 0.879986630000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.975045700000000, 0.841943190000000, 0.087792120000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.475045700000000, 0.658056810000000, 0.412207880000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 19 coordinates: [ 0.813198010000000, 0.029976280000000, 0.620013370000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.813198010000000, 0.470023720000000, 0.620013370000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 21 coordinates: [ 0.842481080000000, 0.843778630000000, 0.597048050000000 ] mass: 137.327000 reduced_to: 21 - symbol: Ba # 22 coordinates: [ 0.475045700000000, 0.841943190000000, 0.412207880000000 ] mass: 137.327000 reduced_to: 22 - symbol: Ba # 23 coordinates: [ 0.686801990000000, 0.970023720000000, 0.120013370000000 ] mass: 137.327000 reduced_to: 23 - symbol: Ba # 24 coordinates: [ 0.657518920000000, 0.343778630000000, 0.097048050000000 ] mass: 137.327000 reduced_to: 24 - symbol: Ba # 25 coordinates: [ 0.975045700000000, 0.658056810000000, 0.087792120000000 ] mass: 137.327000 reduced_to: 25 - symbol: Ba # 26 coordinates: [ 0.643612550000000, 0.750000000000000, 0.894249590000000 ] mass: 137.327000 reduced_to: 26 - symbol: Ba # 27 coordinates: [ 0.524954300000000, 0.158056810000000, 0.587792120000000 ] mass: 137.327000 reduced_to: 27 - symbol: Ba # 28 coordinates: [ 0.186801990000000, 0.970023720000000, 0.379986630000000 ] mass: 137.327000 reduced_to: 28 - symbol: Sn # 29 coordinates: [ 0.047552050000000, 0.949067790000000, 0.803204020000000 ] mass: 118.710000 reduced_to: 29 - symbol: Sn # 30 coordinates: [ 0.047552050000000, 0.550932210000000, 0.803204020000000 ] mass: 118.710000 reduced_to: 30 - symbol: Sn # 31 coordinates: [ 0.744405330000000, 0.250000000000000, 0.804503430000000 ] mass: 118.710000 reduced_to: 31 - symbol: Sn # 32 coordinates: [ 0.952447950000000, 0.449067790000000, 0.196795980000000 ] mass: 118.710000 reduced_to: 32 - symbol: Sn # 33 coordinates: [ 0.452447950000000, 0.449067790000000, 0.303204020000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 34 coordinates: [ 0.244405330000000, 0.250000000000000, 0.695496570000000 ] mass: 118.710000 reduced_to: 34 - symbol: Sn # 35 coordinates: [ 0.255594670000000, 0.750000000000000, 0.195496570000000 ] mass: 118.710000 reduced_to: 35 - symbol: Sn # 36 coordinates: [ 0.547552050000000, 0.550932210000000, 0.696795980000000 ] mass: 118.710000 reduced_to: 36 - symbol: Sn # 37 coordinates: [ 0.952447950000000, 0.050932210000000, 0.196795980000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 38 coordinates: [ 0.547552050000000, 0.949067790000000, 0.696795980000000 ] mass: 118.710000 reduced_to: 38 - symbol: Sn # 39 coordinates: [ 0.755594670000000, 0.750000000000000, 0.304503430000000 ] mass: 118.710000 reduced_to: 39 - symbol: Sn # 40 coordinates: [ 0.452447950000000, 0.050932210000000, 0.303204020000000 ] mass: 118.710000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.213099270000000, 0.833519340000000, 0.333889740000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.713099270000000, 0.833519340000000, 0.166110260000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.286900730000000, 0.333519340000000, 0.833889740000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.165677980000000, 0.571325130000000, 0.019203710000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.079905940000000, 0.459866790000000, 0.686648890000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.354135020000000, 0.927136540000000, 0.640450510000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.645864980000000, 0.427136540000000, 0.359549490000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.646494370000000, 0.750000000000000, 0.536792880000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.420094060000000, 0.540133210000000, 0.186648890000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.334322020000000, 0.428674870000000, 0.519203710000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.955079590000000, 0.750000000000000, 0.356295100000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.334322020000000, 0.071325130000000, 0.519203710000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.834322020000000, 0.428674870000000, 0.980796290000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.286900730000000, 0.166480660000000, 0.833889740000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.645864980000000, 0.072863460000000, 0.359549490000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.044920410000000, 0.250000000000000, 0.643704900000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.396809410000000, 0.750000000000000, 0.671301160000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.103190590000000, 0.250000000000000, 0.171301160000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.786900730000000, 0.166480660000000, 0.666110260000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.896809410000000, 0.750000000000000, 0.828698840000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.420094060000000, 0.959866790000000, 0.186648890000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.405227550000000, 0.120912030000000, 0.112622160000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.354135020000000, 0.572863460000000, 0.640450510000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.905227550000000, 0.120912030000000, 0.387377840000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.713099270000000, 0.666480660000000, 0.166110260000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.213099270000000, 0.666480660000000, 0.333889740000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 67 coordinates: [ 0.094772450000000, 0.879087970000000, 0.612622160000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.544920410000000, 0.250000000000000, 0.856295100000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 69 coordinates: [ 0.603190590000000, 0.250000000000000, 0.328698840000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.786900730000000, 0.333519340000000, 0.666110260000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 71 coordinates: [ 0.594772450000000, 0.620912030000000, 0.887377840000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 72 coordinates: [ 0.854135020000000, 0.927136540000000, 0.859549490000000 ] mass: 78.960000 reduced_to: 72 - symbol: Se # 73 coordinates: [ 0.920094060000000, 0.540133210000000, 0.313351110000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.665677980000000, 0.571325130000000, 0.480796290000000 ] mass: 78.960000 reduced_to: 74 - symbol: Se # 75 coordinates: [ 0.146494370000000, 0.750000000000000, 0.963207120000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 76 coordinates: [ 0.665677980000000, 0.928674870000000, 0.480796290000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 77 coordinates: [ 0.079905940000000, 0.040133210000000, 0.686648890000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.455079590000000, 0.750000000000000, 0.143704900000000 ] mass: 78.960000 reduced_to: 78 - symbol: Se # 79 coordinates: [ 0.854135020000000, 0.572863460000000, 0.859549490000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.594772450000000, 0.879087970000000, 0.887377840000000 ] mass: 78.960000 reduced_to: 80 - symbol: Se # 81 coordinates: [ 0.579905940000000, 0.459866790000000, 0.813351110000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 82 coordinates: [ 0.920094060000000, 0.959866790000000, 0.313351110000000 ] mass: 78.960000 reduced_to: 82 - symbol: Se # 83 coordinates: [ 0.094772450000000, 0.620912030000000, 0.612622160000000 ] mass: 78.960000 reduced_to: 83 - symbol: Se # 84 coordinates: [ 0.579905940000000, 0.040133210000000, 0.813351110000000 ] mass: 78.960000 reduced_to: 84 - symbol: Se # 85 coordinates: [ 0.853505630000000, 0.250000000000000, 0.036792880000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.834322020000000, 0.071325130000000, 0.980796290000000 ] mass: 78.960000 reduced_to: 86 - symbol: Se # 87 coordinates: [ 0.353505630000000, 0.250000000000000, 0.463207120000000 ] mass: 78.960000 reduced_to: 87 - symbol: Se # 88 coordinates: [ 0.145864980000000, 0.072863460000000, 0.140450510000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 89 coordinates: [ 0.905227550000000, 0.379087970000000, 0.387377840000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 90 coordinates: [ 0.165677980000000, 0.928674870000000, 0.019203710000000 ] mass: 78.960000 reduced_to: 90 - symbol: Se # 91 coordinates: [ 0.405227550000000, 0.379087970000000, 0.112622160000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.145864980000000, 0.427136540000000, 0.140450510000000 ] mass: 78.960000 reduced_to: 92displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0356641500000000, 0.0025196100000000, 0.0073922300000000 ] - [ 0.0001687000000000, -0.0004076100000000, 0.0000918700000000 ] - [ 0.0002717100000000, -0.0003067000000000, 0.0002916900000000 ] - [ -0.0017431800000000, -0.0006591100000000, 0.0003520500000000 ] - [ 0.0002271200000000, -0.0001549900000000, 0.0002057000000000 ] - [ 0.0000950800000000, 0.0001019700000000, 0.0001000900000000 ] - [ -0.0000208000000000, 0.0002953700000000, -0.0001519900000000 ] - [ 0.0000829500000000, 0.0000833800000000, -0.0000973500000000 ] - [ 0.0002002700000000, -0.0001415100000000, 0.0001755900000000 ] - [ 0.0007167800000000, 0.0028277200000000, 0.0025156000000000 ] - [ -0.0001001600000000, -0.0000699800000000, 0.0001013600000000 ] - [ -0.0014034200000000, -0.0006241600000000, 0.0005041900000000 ] - [ -0.0002128800000000, -0.0004914200000000, -0.0001627300000000 ] - [ -0.0002157100000000, 0.0000572600000000, -0.0001226600000000 ] - [ 0.0000159300000000, 0.0001332300000000, -0.0002044700000000 ] - [ -0.0002171400000000, 0.0000152000000000, -0.0001267400000000 ] - [ 0.0032353200000000, 0.0004412500000000, -0.0012108900000000 ] - [ 0.0001079300000000, -0.0007332100000000, -0.0000512700000000 ] - [ 0.0007339900000000, -0.0000536900000000, 0.0002354300000000 ] - [ -0.0000007600000000, 0.0000113800000000, 0.0001943500000000 ] - [ 0.0017274800000000, 0.0005463000000000, 0.0000894100000000 ] - [ -0.0003951900000000, 0.0002820700000000, -0.0004704400000000 ] - [ 0.0011610800000000, 0.0009058900000000, 0.0007001400000000 ] - [ 0.0000694600000000, 0.0002906300000000, 0.0001371400000000 ] - [ 0.0007430500000000, 0.0004774700000000, -0.0003706000000000 ] - [ 0.0041288400000000, -0.0033808600000000, 0.0002225300000000 ] - [ 0.0000593500000000, 0.0002034000000000, -0.0001932100000000 ] - [ -0.0010459100000000, -0.0007730500000000, -0.0007815200000000 ] - [ 0.0032506000000000, -0.0021137900000000, 0.0015135600000000 ] - [ 0.0000709800000000, -0.0000683300000000, 0.0000957700000000 ] - [ 0.0001162500000000, -0.0000015600000000, 0.0001058300000000 ] - [ 0.0000204800000000, 0.0002767000000000, -0.0001005200000000 ] - [ 0.0000302600000000, 0.0001933000000000, 0.0001521200000000 ] - [ 0.0000305800000000, 0.0000002700000000, -0.0000574300000000 ] - [ -0.0043622500000000, 0.0032179100000000, -0.0045778000000000 ] - [ -0.0000344600000000, -0.0003981700000000, -0.0002292000000000 ] - [ 0.0002751200000000, -0.0006222000000000, -0.0001136900000000 ] - [ -0.0007712600000000, 0.0044733100000000, -0.0045484400000000 ] - [ 0.0007006800000000, -0.0004876400000000, 0.0001603200000000 ] - [ 0.0003398900000000, 0.0004253200000000, 0.0002579100000000 ] - [ 0.0004166300000000, -0.0005771800000000, 0.0012398000000000 ] - [ -0.0007401800000000, 0.0001880600000000, 0.0005769500000000 ] - [ 0.0003806500000000, 0.0001196900000000, -0.0001852500000000 ] - [ 0.0001485700000000, -0.0003149400000000, 0.0000308800000000 ] - [ 0.0000163200000000, -0.0001942800000000, 0.0000672500000000 ] - [ 0.0014183100000000, -0.0006026900000000, 0.0001690100000000 ] - [ -0.0000996800000000, -0.0000497200000000, -0.0000218800000000 ] - [ -0.0003133700000000, 0.0001726100000000, 0.0000153200000000 ] - [ 0.0000315200000000, 0.0001942700000000, 0.0000751900000000 ] - [ 0.0000113100000000, 0.0001322800000000, 0.0000858800000000 ] - [ -0.0011656300000000, -0.0000174400000000, -0.0001962000000000 ] - [ 0.0002299200000000, -0.0003607000000000, -0.0000482300000000 ] - [ -0.0000581400000000, 0.0000891900000000, -0.0000854700000000 ] - [ 0.0004493000000000, -0.0000984700000000, -0.0002381000000000 ] - [ -0.0000191500000000, -0.0001318800000000, -0.0000591500000000 ] - [ 0.0003475700000000, 0.0000538400000000, 0.0002177000000000 ] - [ 0.0028476400000000, -0.0006040000000000, -0.0007554700000000 ] - [ 0.0001604900000000, 0.0001000400000000, -0.0001264500000000 ] - [ 0.0002462900000000, -0.0001369700000000, 0.0001619500000000 ] - [ -0.0012531300000000, -0.0002134200000000, 0.0000034100000000 ] - [ 0.0000088800000000, -0.0008633500000000, -0.0001597400000000 ] - [ 0.0000382900000000, -0.0001567500000000, -0.0000210200000000 ] - [ 0.0001622400000000, 0.0003115500000000, -0.0000226000000000 ] - [ -0.0002768100000000, 0.0002916100000000, -0.0000912700000000 ] - [ -0.0006318100000000, 0.0002182300000000, 0.0001601600000000 ] - [ 0.0007217900000000, -0.0006551500000000, 0.0004246300000000 ] - [ -0.0019584600000000, 0.0015244500000000, -0.0019395400000000 ] - [ 0.0002623900000000, -0.0000420300000000, -0.0002053400000000 ] - [ 0.0000939900000000, -0.0000551500000000, 0.0001479200000000 ] - [ 0.0003317000000000, 0.0001204200000000, 0.0001805700000000 ] - [ 0.0001506000000000, 0.0005030100000000, 0.0000726400000000 ] - [ -0.0005025800000000, 0.0004411900000000, -0.0000854800000000 ] - [ -0.0000613300000000, 0.0000293600000000, -0.0000512400000000 ] - [ -0.0000920300000000, 0.0000000300000000, -0.0001043600000000 ] - [ 0.0045062200000000, 0.0014422700000000, 0.0008345800000000 ] - [ -0.0001746900000000, -0.0004435000000000, 0.0009996600000000 ] - [ -0.0002665700000000, 0.0009715300000000, -0.0002976000000000 ] - [ 0.0035316600000000, -0.0013369700000000, 0.0010999000000000 ] - [ 0.0000138900000000, -0.0000373500000000, -0.0000518100000000 ] - [ 0.0122306200000000, 0.0011815000000000, 0.0001513000000000 ] - [ 0.0000091500000000, 0.0000204700000000, -0.0000811000000000 ] - [ -0.0005186000000000, 0.0003188000000000, -0.0000406400000000 ] - [ 0.0000257900000000, -0.0002126500000000, -0.0000107800000000 ] - [ 0.0001778800000000, -0.0011770200000000, 0.0002758400000000 ] - [ 0.0000085800000000, 0.0000256100000000, 0.0001349400000000 ] - [ -0.0003144600000000, -0.0000347400000000, -0.0001462500000000 ] - [ 0.0001082200000000, -0.0000164600000000, -0.0001174600000000 ] - [ -0.0003492200000000, 0.0006639900000000, 0.0002217200000000 ] - [ -0.0000922700000000, -0.0001031700000000, -0.0000166200000000 ] - [ 0.0075979800000000, -0.0067882300000000, -0.0042421200000000 ] - [ -0.0000672900000000, -0.0000781500000000, 0.0000005100000000 ] - [ -0.0001216000000000, -0.0001025400000000, 0.0000295200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0353708900000000, -0.0020629000000000, -0.0078326800000000 ] - [ 0.0000031400000000, 0.0002019000000000, 0.0000967600000000 ] - [ -0.0003264300000000, -0.0003016200000000, -0.0000138000000000 ] - [ 0.0015497700000000, 0.0006083400000000, -0.0007128800000000 ] - [ -0.0001726700000000, -0.0004502200000000, 0.0000745100000000 ] - [ 0.0000761800000000, 0.0001050200000000, 0.0000887100000000 ] - [ 0.0000751400000000, 0.0003125500000000, -0.0001264300000000 ] - [ 0.0000873200000000, 0.0001243700000000, -0.0000914200000000 ] - [ -0.0000039000000000, 0.0001008000000000, 0.0001815600000000 ] - [ -0.0003963900000000, -0.0028395700000000, -0.0027693400000000 ] - [ -0.0002090800000000, 0.0000710600000000, 0.0001402800000000 ] - [ 0.0013529400000000, 0.0000294200000000, -0.0007879100000000 ] - [ 0.0002679200000000, -0.0001154700000000, -0.0001151900000000 ] - [ -0.0000939200000000, -0.0000570000000000, -0.0001190600000000 ] - [ 0.0001813700000000, -0.0001742400000000, -0.0001523000000000 ] - [ 0.0000206800000000, 0.0000256200000000, -0.0002305500000000 ] - [ -0.0034393800000000, -0.0002372900000000, 0.0010381000000000 ] - [ -0.0002802100000000, 0.0005330600000000, 0.0002437900000000 ] - [ -0.0009287700000000, 0.0000156800000000, 0.0001206800000000 ] - [ -0.0001960400000000, 0.0000291500000000, 0.0001624600000000 ] - [ -0.0017824500000000, 0.0000582400000000, 0.0001877900000000 ] - [ 0.0002102900000000, -0.0000793500000000, 0.0006620600000000 ] - [ -0.0009601000000000, -0.0008603300000000, -0.0003411700000000 ] - [ -0.0000154200000000, 0.0003174000000000, 0.0001414100000000 ] - [ -0.0009112300000000, -0.0006829600000000, 0.0001799300000000 ] - [ -0.0037803400000000, 0.0033380800000000, 0.0000166800000000 ] - [ 0.0001096000000000, -0.0004083100000000, 0.0000021800000000 ] - [ 0.0012505900000000, 0.0008160100000000, 0.0004250900000000 ] - [ -0.0032937700000000, 0.0026249500000000, -0.0012448900000000 ] - [ -0.0000967100000000, -0.0004190100000000, 0.0001600100000000 ] - [ 0.0000344600000000, 0.0000026300000000, 0.0000440400000000 ] - [ 0.0000059500000000, 0.0002103800000000, -0.0001534100000000 ] - [ -0.0000044300000000, 0.0002951400000000, 0.0001110900000000 ] - [ 0.0001200500000000, -0.0000000600000000, -0.0000919600000000 ] - [ 0.0042343000000000, -0.0032077600000000, 0.0044230000000000 ] - [ 0.0000067600000000, -0.0000864100000000, -0.0000356500000000 ] - [ -0.0002454600000000, 0.0001386500000000, -0.0001504000000000 ] - [ 0.0007138400000000, -0.0039495200000000, 0.0042491900000000 ] - [ -0.0008504500000000, 0.0004817000000000, -0.0000045400000000 ] - [ -0.0003129600000000, -0.0009169000000000, -0.0000020400000000 ] - [ -0.0011408800000000, 0.0007951900000000, -0.0016066700000000 ] - [ 0.0000274300000000, 0.0000356900000000, -0.0002129100000000 ] - [ 0.0003354100000000, 0.0000986300000000, -0.0001805300000000 ] - [ -0.0001033900000000, 0.0001175200000000, 0.0001301600000000 ] - [ 0.0000162800000000, -0.0000196600000000, 0.0000796700000000 ] - [ -0.0012015700000000, 0.0004268500000000, -0.0000866200000000 ] - [ -0.0001161300000000, -0.0000913000000000, -0.0000229800000000 ] - [ 0.0002079200000000, -0.0001702600000000, 0.0002398300000000 ] - [ -0.0000640000000000, 0.0000181200000000, 0.0000722100000000 ] - [ -0.0000567500000000, 0.0000631900000000, 0.0000751900000000 ] - [ 0.0005479100000000, 0.0000211400000000, -0.0002191800000000 ] - [ -0.0002753700000000, 0.0001695900000000, 0.0002079100000000 ] - [ 0.0000123900000000, 0.0001066700000000, -0.0000762000000000 ] - [ 0.0002665200000000, -0.0001204600000000, -0.0001273300000000 ] - [ -0.0001945200000000, 0.0002727600000000, 0.0000144200000000 ] - [ 0.0002720700000000, -0.0000541000000000, 0.0001954600000000 ] - [ -0.0031004900000000, 0.0005898400000000, 0.0004790700000000 ] - [ 0.0001009100000000, -0.0001005000000000, -0.0001384600000000 ] - [ 0.0004694600000000, -0.0000832300000000, 0.0002039200000000 ] - [ 0.0009861200000000, 0.0002179200000000, 0.0002616900000000 ] - [ -0.0000424400000000, 0.0006528600000000, 0.0003030900000000 ] - [ -0.0001920800000000, 0.0003535700000000, 0.0000364100000000 ] - [ 0.0000536200000000, -0.0001738500000000, 0.0000684600000000 ] - [ 0.0001228200000000, -0.0000968900000000, 0.0000754300000000 ] - [ -0.0000849400000000, -0.0004325100000000, 0.0002032000000000 ] - [ -0.0014412000000000, 0.0004389100000000, -0.0007931400000000 ] - [ 0.0021141000000000, -0.0017289400000000, 0.0019654900000000 ] - [ 0.0003579200000000, 0.0000414000000000, -0.0002079600000000 ] - [ 0.0001680300000000, 0.0000543800000000, 0.0001166100000000 ] - [ 0.0003843000000000, 0.0000972400000000, 0.0001851300000000 ] - [ 0.0000061500000000, -0.0003057600000000, -0.0000870500000000 ] - [ 0.0007135500000000, -0.0005886700000000, 0.0000405900000000 ] - [ 0.0000286800000000, 0.0001838300000000, -0.0000953500000000 ] - [ 0.0001396700000000, -0.0001972800000000, -0.0000565100000000 ] - [ -0.0047627400000000, -0.0015905100000000, -0.0010541600000000 ] - [ 0.0002239500000000, 0.0006346900000000, -0.0011493800000000 ] - [ 0.0003014500000000, -0.0007573100000000, 0.0004427700000000 ] - [ -0.0041404600000000, 0.0012931500000000, -0.0006486800000000 ] - [ 0.0002019500000000, 0.0001780700000000, 0.0000059200000000 ] - [ -0.0115276200000000, -0.0012205400000000, -0.0001917200000000 ] - [ 0.0000233300000000, -0.0002346700000000, -0.0000664400000000 ] - [ 0.0004834500000000, -0.0005373000000000, -0.0001057900000000 ] - [ 0.0001289700000000, 0.0004109800000000, 0.0000256600000000 ] - [ -0.0001417000000000, 0.0013794900000000, -0.0004176400000000 ] - [ 0.0000957000000000, -0.0000261600000000, 0.0001193200000000 ] - [ 0.0002686400000000, -0.0001631500000000, -0.0000148800000000 ] - [ -0.0000038200000000, 0.0000163000000000, -0.0001370500000000 ] - [ 0.0001334800000000, -0.0005221900000000, -0.0001760400000000 ] - [ -0.0000623300000000, -0.0000936400000000, 0.0000002300000000 ] - [ -0.0077292300000000, 0.0072071000000000, 0.0045202600000000 ] - [ -0.0000872400000000, -0.0001188900000000, 0.0000154300000000 ] - [ -0.0000943600000000, -0.0000385800000000, 0.0000154400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023636000000000, -0.0442002200000000, 0.0061752300000000 ] - [ -0.0000047400000000, 0.0005463100000000, 0.0000645000000000 ] - [ -0.0000251100000000, -0.0001612200000000, 0.0002074500000000 ] - [ -0.0005952900000000, 0.0045826100000000, -0.0002312500000000 ] - [ 0.0001761700000000, 0.0004913100000000, 0.0000218900000000 ] - [ 0.0000652600000000, 0.0009162000000000, 0.0000955100000000 ] - [ 0.0000359900000000, 0.0011456200000000, -0.0001366100000000 ] - [ 0.0000742900000000, 0.0009286200000000, -0.0000976000000000 ] - [ 0.0000315300000000, 0.0004855800000000, 0.0000517500000000 ] - [ 0.0035646500000000, -0.0000100600000000, 0.0023815700000000 ] - [ -0.0001582800000000, 0.0007062100000000, 0.0001249000000000 ] - [ 0.0002981500000000, 0.0043562700000000, -0.0004044700000000 ] - [ -0.0001607500000000, 0.0004995300000000, -0.0001703700000000 ] - [ -0.0001501800000000, 0.0008679900000000, -0.0001127300000000 ] - [ 0.0001234600000000, 0.0008290800000000, -0.0000830800000000 ] - [ -0.0001472100000000, 0.0008417200000000, -0.0002947500000000 ] - [ -0.0000545100000000, -0.0030162100000000, 0.0000508300000000 ] - [ -0.0009218900000000, 0.0016550100000000, 0.0002359100000000 ] - [ 0.0000322500000000, 0.0002113500000000, 0.0002196000000000 ] - [ -0.0001085400000000, 0.0007135300000000, 0.0002572500000000 ] - [ 0.0002161300000000, -0.0018003400000000, -0.0001261400000000 ] - [ -0.0004059500000000, -0.0049293300000000, -0.0003223800000000 ] - [ 0.0008418100000000, -0.0005814200000000, 0.0000840100000000 ] - [ 0.0000408100000000, 0.0011070800000000, 0.0001351200000000 ] - [ 0.0006427500000000, 0.0005432100000000, -0.0001657300000000 ] - [ -0.0033308700000000, -0.0006754100000000, 0.0001067100000000 ] - [ 0.0002529600000000, 0.0008227700000000, 0.0000440600000000 ] - [ -0.0009502700000000, -0.0007077300000000, -0.0000887200000000 ] - [ -0.0023160900000000, 0.0000902500000000, -0.0026732700000000 ] - [ 0.0001533500000000, 0.0005793800000000, 0.0002227600000000 ] - [ 0.0001108000000000, 0.0007809100000000, 0.0000474800000000 ] - [ 0.0000335000000000, 0.0009717900000000, -0.0001543200000000 ] - [ -0.0000497600000000, 0.0010984200000000, 0.0001257400000000 ] - [ 0.0000276600000000, 0.0009603400000000, -0.0001187600000000 ] - [ 0.0033852800000000, 0.0019834600000000, -0.0076726500000000 ] - [ -0.0003134100000000, 0.0005330200000000, -0.0001684600000000 ] - [ -0.0003761500000000, -0.0000807400000000, 0.0001068500000000 ] - [ 0.0046768800000000, 0.0014941700000000, -0.0002896400000000 ] - [ -0.0001471700000000, -0.0012154900000000, 0.0008862300000000 ] - [ 0.0003991600000000, 0.0022986000000000, 0.0000566500000000 ] - [ -0.0007175800000000, 0.0025522300000000, 0.0001107800000000 ] - [ 0.0000326000000000, 0.0018037300000000, 0.0002944900000000 ] - [ 0.0003918300000000, -0.0006628800000000, -0.0001555000000000 ] - [ -0.0001910700000000, -0.0006747800000000, 0.0001537000000000 ] - [ 0.0000338500000000, -0.0008746100000000, -0.0000501600000000 ] - [ -0.0009947600000000, 0.0098914700000000, -0.0099989700000000 ] - [ -0.0001924900000000, -0.0005522700000000, -0.0000371000000000 ] - [ -0.0004394300000000, 0.0008842800000000, -0.0001720700000000 ] - [ 0.0000678900000000, -0.0007519300000000, 0.0001684200000000 ] - [ 0.0000205000000000, -0.0003947100000000, 0.0000172600000000 ] - [ -0.0003269400000000, 0.0007629300000000, -0.0004646300000000 ] - [ 0.0000992100000000, -0.0009047700000000, -0.0000449200000000 ] - [ -0.0000030600000000, -0.0002872500000000, -0.0000345900000000 ] - [ 0.0004315400000000, -0.0009996800000000, -0.0002048600000000 ] - [ -0.0003244000000000, -0.0005153100000000, -0.0000902800000000 ] - [ 0.0003531400000000, -0.0005229700000000, 0.0002121800000000 ] - [ -0.0015554100000000, 0.0079648700000000, 0.0046798800000000 ] - [ 0.0001778900000000, -0.0007056800000000, -0.0001144900000000 ] - [ 0.0002704600000000, -0.0007315500000000, 0.0001984900000000 ] - [ -0.0007681100000000, 0.0009401600000000, -0.0002965100000000 ] - [ -0.0002687200000000, -0.0019604900000000, -0.0006180400000000 ] - [ -0.0001884300000000, -0.0009011600000000, 0.0000513300000000 ] - [ 0.0001449200000000, -0.0007465800000000, 0.0000044700000000 ] - [ -0.0001488400000000, -0.0003368600000000, -0.0000507200000000 ] - [ -0.0000845300000000, -0.0000109700000000, 0.0000666900000000 ] - [ -0.0008956000000000, -0.0007538100000000, 0.0002248400000000 ] - [ 0.0006819100000000, 0.0020381200000000, 0.0010042700000000 ] - [ 0.0002703300000000, -0.0005142700000000, -0.0001900900000000 ] - [ 0.0000896100000000, -0.0006979800000000, 0.0001369200000000 ] - [ 0.0003884400000000, -0.0005747200000000, 0.0001640900000000 ] - [ 0.0005100600000000, -0.0005263500000000, 0.0000719900000000 ] - [ 0.0005259400000000, 0.0007163600000000, 0.0004970500000000 ] - [ -0.0000161300000000, -0.0005679600000000, -0.0001494200000000 ] - [ 0.0003229000000000, -0.0004911400000000, -0.0001009400000000 ] - [ 0.0025919800000000, 0.0042362600000000, 0.0013117500000000 ] - [ -0.0009460300000000, 0.0008031400000000, 0.0002728000000000 ] - [ 0.0004412400000000, -0.0000627000000000, 0.0004434000000000 ] - [ -0.0022150200000000, 0.0023030500000000, 0.0007556800000000 ] - [ -0.0001458300000000, -0.0002656400000000, -0.0000051400000000 ] - [ 0.0022815600000000, 0.0033377100000000, -0.0003427900000000 ] - [ 0.0001192200000000, -0.0008143900000000, 0.0000278400000000 ] - [ 0.0002421600000000, 0.0000090000000000, -0.0002043200000000 ] - [ -0.0001240100000000, -0.0006081800000000, 0.0000111700000000 ] - [ -0.0006742200000000, -0.0001921500000000, -0.0001552700000000 ] - [ 0.0000317300000000, -0.0004978600000000, 0.0001331100000000 ] - [ -0.0000066800000000, -0.0001818100000000, -0.0001310700000000 ] - [ 0.0000630200000000, -0.0005911400000000, -0.0001246600000000 ] - [ 0.0002237100000000, -0.0003488900000000, -0.0001218200000000 ] - [ -0.0000541000000000, -0.0007507500000000, 0.0000162800000000 ] - [ -0.0065740800000000, 0.0084863600000000, 0.0044177700000000 ] - [ -0.0000482300000000, -0.0008364300000000, -0.0000319100000000 ] - [ -0.0002341800000000, -0.0005812300000000, 0.0000525500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022204200000000, 0.0448809900000000, -0.0061627300000000 ] - [ 0.0001754300000000, -0.0007543400000000, 0.0001239000000000 ] - [ -0.0000294300000000, -0.0004459200000000, 0.0000701700000000 ] - [ 0.0003905600000000, -0.0045637600000000, -0.0001280300000000 ] - [ -0.0001204700000000, -0.0010978000000000, 0.0002566700000000 ] - [ 0.0001056400000000, -0.0007102700000000, 0.0000930900000000 ] - [ 0.0000181700000000, -0.0005389200000000, -0.0001418500000000 ] - [ 0.0000962800000000, -0.0007220500000000, -0.0000907900000000 ] - [ 0.0001652600000000, -0.0005258100000000, 0.0003058600000000 ] - [ -0.0032698100000000, 0.0000194500000000, -0.0026394700000000 ] - [ -0.0001509700000000, -0.0007065000000000, 0.0001170000000000 ] - [ -0.0003547700000000, -0.0050284000000000, 0.0001272600000000 ] - [ 0.0002146700000000, -0.0011079100000000, -0.0001078700000000 ] - [ -0.0001590200000000, -0.0008680900000000, -0.0001288200000000 ] - [ 0.0000735600000000, -0.0008704700000000, -0.0002739400000000 ] - [ -0.0000494700000000, -0.0008021600000000, -0.0000618900000000 ] - [ -0.0001106400000000, 0.0032308100000000, -0.0002412900000000 ] - [ 0.0007537600000000, -0.0018638300000000, -0.0000498000000000 ] - [ -0.0002270400000000, -0.0002528900000000, 0.0001384000000000 ] - [ -0.0000885100000000, -0.0006737800000000, 0.0000994900000000 ] - [ -0.0002711900000000, 0.0024116200000000, 0.0004075100000000 ] - [ 0.0002284300000000, 0.0051415100000000, 0.0005076300000000 ] - [ -0.0006424000000000, 0.0006176300000000, 0.0002666800000000 ] - [ 0.0000134600000000, -0.0005004500000000, 0.0001433000000000 ] - [ -0.0008139600000000, -0.0007495200000000, -0.0000232000000000 ] - [ 0.0036565300000000, 0.0006844800000000, 0.0001348400000000 ] - [ -0.0000821800000000, -0.0010292400000000, -0.0002319900000000 ] - [ 0.0011435800000000, 0.0007463800000000, -0.0002678700000000 ] - [ 0.0022799600000000, 0.0003977200000000, 0.0029411900000000 ] - [ -0.0001809600000000, -0.0010652900000000, 0.0000301600000000 ] - [ 0.0000404900000000, -0.0007819400000000, 0.0001015400000000 ] - [ -0.0000075100000000, -0.0004872000000000, -0.0000975900000000 ] - [ 0.0000759200000000, -0.0006133100000000, 0.0001359600000000 ] - [ 0.0001231900000000, -0.0009603800000000, -0.0000310900000000 ] - [ -0.0035636400000000, -0.0019972300000000, 0.0075987100000000 ] - [ 0.0002881900000000, -0.0010179500000000, -0.0000946300000000 ] - [ 0.0004030300000000, -0.0004076100000000, -0.0003696200000000 ] - [ -0.0046694700000000, -0.0010125500000000, 0.0000405600000000 ] - [ -0.0000036600000000, 0.0012161300000000, -0.0007397900000000 ] - [ -0.0003740900000000, -0.0027735900000000, 0.0001968500000000 ] - [ -0.0000081300000000, -0.0023415300000000, -0.0004538900000000 ] - [ -0.0007517000000000, -0.0015830900000000, 0.0000655200000000 ] - [ 0.0003242800000000, 0.0008821400000000, -0.0002099700000000 ] - [ 0.0002388300000000, 0.0004794600000000, 0.0000074100000000 ] - [ -0.0000010000000000, 0.0006613200000000, 0.0001973800000000 ] - [ 0.0012101400000000, -0.0098636100000000, 0.0097517400000000 ] - [ -0.0000234000000000, 0.0004120400000000, -0.0000076500000000 ] - [ 0.0003326600000000, -0.0008858400000000, 0.0004309100000000 ] - [ -0.0001007800000000, 0.0009659300000000, -0.0000211900000000 ] - [ -0.0000661000000000, 0.0005914100000000, 0.0001440900000000 ] - [ -0.0002910100000000, -0.0007638200000000, 0.0000530800000000 ] - [ -0.0001435900000000, 0.0007099300000000, 0.0002049100000000 ] - [ -0.0000426600000000, 0.0004837900000000, -0.0001271300000000 ] - [ 0.0002852000000000, 0.0007793900000000, -0.0001595600000000 ] - [ 0.0001068200000000, 0.0006549900000000, 0.0000448800000000 ] - [ 0.0002668200000000, 0.0005234700000000, 0.0002010000000000 ] - [ 0.0013762100000000, -0.0081962100000000, -0.0051828900000000 ] - [ 0.0000836700000000, 0.0007063600000000, -0.0001503200000000 ] - [ 0.0004454700000000, 0.0005136700000000, 0.0001668900000000 ] - [ 0.0005096300000000, -0.0009404400000000, 0.0005623600000000 ] - [ 0.0002393800000000, 0.0017426700000000, 0.0007586900000000 ] - [ 0.0000334500000000, 0.0010963000000000, -0.0000354700000000 ] - [ 0.0000695400000000, 0.0008886500000000, 0.0000430900000000 ] - [ -0.0000066900000000, 0.0005341300000000, 0.0000349500000000 ] - [ -0.0006313500000000, -0.0002080800000000, 0.0002988800000000 ] - [ 0.0001803700000000, 0.0005375400000000, -0.0005949800000000 ] - [ -0.0005303500000000, -0.0022324600000000, -0.0009987200000000 ] - [ 0.0003494500000000, 0.0005147400000000, -0.0002228700000000 ] - [ 0.0001717100000000, 0.0006984400000000, 0.0001278000000000 ] - [ 0.0003274600000000, 0.0007939800000000, 0.0002014900000000 ] - [ -0.0003572600000000, 0.0007247200000000, -0.0000875400000000 ] - [ -0.0003139600000000, -0.0008594800000000, -0.0005425100000000 ] - [ -0.0000164400000000, 0.0007822400000000, 0.0000028300000000 ] - [ -0.0002765400000000, 0.0002939700000000, -0.0000595900000000 ] - [ -0.0028150000000000, -0.0043476300000000, -0.0015429500000000 ] - [ 0.0009867200000000, -0.0006068300000000, -0.0004390500000000 ] - [ -0.0004041700000000, 0.0002805900000000, -0.0002967300000000 ] - [ 0.0016391400000000, -0.0023845100000000, -0.0002765200000000 ] - [ 0.0003622600000000, 0.0004061000000000, -0.0000403200000000 ] - [ -0.0020889600000000, -0.0035261600000000, 0.0003259400000000 ] - [ -0.0000871800000000, 0.0006008500000000, -0.0001754600000000 ] - [ -0.0002767200000000, -0.0002223000000000, 0.0000580300000000 ] - [ 0.0002799800000000, 0.0008064600000000, 0.0000054000000000 ] - [ 0.0007028700000000, 0.0004105400000000, 0.0000079300000000 ] - [ 0.0000722900000000, 0.0004985000000000, 0.0001210700000000 ] - [ -0.0000387100000000, -0.0000130400000000, -0.0000303100000000 ] - [ 0.0000412900000000, 0.0005915400000000, -0.0001296800000000 ] - [ -0.0004380000000000, 0.0004924500000000, 0.0001664800000000 ] - [ -0.0001007600000000, 0.0005547200000000, -0.0000325500000000 ] - [ 0.0064066200000000, -0.0081366300000000, -0.0041593700000000 ] - [ -0.0001068500000000, 0.0006400500000000, 0.0000477100000000 ] - [ 0.0000185700000000, 0.0004410800000000, -0.0000077700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0075569400000000, 0.0064860300000000, -0.0315808600000000 ] - [ 0.0000063900000000, -0.0001467900000000, 0.0000955300000000 ] - [ -0.0001803300000000, -0.0002355100000000, 0.0000008600000000 ] - [ 0.0005288700000000, -0.0006069200000000, -0.0016745200000000 ] - [ 0.0000943200000000, -0.0004202000000000, -0.0001146400000000 ] - [ 0.0000716800000000, 0.0000957500000000, 0.0000953800000000 ] - [ 0.0000403000000000, 0.0003066600000000, -0.0001355200000000 ] - [ 0.0000924800000000, 0.0001167100000000, -0.0000867400000000 ] - [ 0.0000508400000000, 0.0000187300000000, 0.0001462400000000 ] - [ 0.0031931100000000, 0.0019817700000000, 0.0018255300000000 ] - [ -0.0001732300000000, -0.0000029600000000, 0.0001413000000000 ] - [ 0.0006171900000000, -0.0000326400000000, -0.0018808300000000 ] - [ 0.0000511300000000, -0.0002724200000000, -0.0001938500000000 ] - [ -0.0001411200000000, 0.0000961700000000, -0.0000993900000000 ] - [ 0.0001532900000000, -0.0002665300000000, -0.0001216900000000 ] - [ -0.0000445900000000, 0.0000490300000000, -0.0002296600000000 ] - [ -0.0014128900000000, 0.0000480100000000, 0.0001226000000000 ] - [ -0.0001710000000000, 0.0001057100000000, 0.0016507500000000 ] - [ -0.0003960700000000, -0.0002178000000000, 0.0002455200000000 ] - [ -0.0001391900000000, 0.0000110800000000, 0.0001779100000000 ] - [ 0.0000205400000000, 0.0005707100000000, -0.0001950800000000 ] - [ -0.0003107400000000, 0.0004883300000000, 0.0061914100000000 ] - [ 0.0003854000000000, -0.0001607800000000, -0.0001050400000000 ] - [ 0.0000254500000000, 0.0003081200000000, 0.0001290600000000 ] - [ -0.0003915700000000, -0.0002703800000000, 0.0000962800000000 ] - [ -0.0003249600000000, 0.0003487700000000, -0.0011917500000000 ] - [ 0.0001162600000000, -0.0001878700000000, 0.0001197000000000 ] - [ 0.0000945200000000, 0.0000617800000000, 0.0013034000000000 ] - [ -0.0002541400000000, -0.0004930500000000, -0.0028421300000000 ] - [ -0.0000386100000000, -0.0004077500000000, 0.0001359300000000 ] - [ 0.0000934100000000, -0.0000667700000000, 0.0000259100000000 ] - [ 0.0000044200000000, 0.0002167900000000, -0.0001475400000000 ] - [ 0.0000125000000000, 0.0002409500000000, 0.0001733300000000 ] - [ 0.0000759400000000, 0.0000721700000000, -0.0001000300000000 ] - [ -0.0041540500000000, -0.0067710200000000, 0.0051432900000000 ] - [ -0.0001284700000000, -0.0001020300000000, -0.0000568700000000 ] - [ -0.0001687000000000, -0.0004467200000000, -0.0002253300000000 ] - [ -0.0045239100000000, -0.0010228200000000, -0.0006652000000000 ] - [ 0.0000109900000000, 0.0002583900000000, 0.0007123500000000 ] - [ 0.0000679600000000, 0.0015426000000000, 0.0011333600000000 ] - [ 0.0008378200000000, 0.0014046500000000, -0.0029333400000000 ] - [ -0.0004954800000000, 0.0000174000000000, -0.0001434100000000 ] - [ 0.0003536400000000, 0.0000960400000000, -0.0001723400000000 ] - [ -0.0001238800000000, -0.0000564700000000, 0.0000184900000000 ] - [ 0.0000171800000000, -0.0000701700000000, 0.0000750200000000 ] - [ 0.0003005100000000, -0.0103010900000000, 0.0133538200000000 ] - [ -0.0001169800000000, -0.0000814800000000, -0.0000237800000000 ] - [ -0.0004959600000000, -0.0002397500000000, -0.0000066500000000 ] - [ -0.0000615800000000, 0.0001148400000000, 0.0000489200000000 ] - [ -0.0000491500000000, 0.0000752300000000, 0.0000649900000000 ] - [ 0.0002457900000000, -0.0001071100000000, -0.0004690800000000 ] - [ 0.0001071600000000, 0.0000111600000000, -0.0004743800000000 ] - [ -0.0000063300000000, 0.0001024300000000, -0.0000774400000000 ] - [ 0.0003971900000000, -0.0001956200000000, -0.0002163200000000 ] - [ -0.0003159300000000, -0.0002001300000000, -0.0001942900000000 ] - [ 0.0003351400000000, -0.0000141800000000, 0.0002142800000000 ] - [ -0.0020557100000000, 0.0050866000000000, 0.0071763100000000 ] - [ 0.0001589900000000, -0.0000131000000000, -0.0001353200000000 ] - [ 0.0003928100000000, 0.0000099100000000, 0.0001510200000000 ] - [ 0.0005566200000000, -0.0001672000000000, 0.0006314500000000 ] - [ -0.0001671500000000, -0.0019221700000000, -0.0008957700000000 ] - [ -0.0000813900000000, -0.0003231300000000, 0.0000708000000000 ] - [ 0.0001027900000000, -0.0000995500000000, 0.0000062600000000 ] - [ -0.0001509800000000, 0.0001151600000000, 0.0000610100000000 ] - [ -0.0005741700000000, -0.0002344300000000, 0.0000414200000000 ] - [ -0.0000216800000000, 0.0006188100000000, -0.0007606400000000 ] - [ -0.0016126600000000, 0.0007538900000000, -0.0005048900000000 ] - [ 0.0002871900000000, 0.0000174600000000, -0.0001782400000000 ] - [ 0.0001142400000000, 0.0000086700000000, 0.0001307600000000 ] - [ 0.0003649300000000, 0.0001290200000000, 0.0001842800000000 ] - [ 0.0002562200000000, -0.0001845200000000, 0.0001924700000000 ] - [ 0.0004969700000000, -0.0001036700000000, 0.0005306300000000 ] - [ 0.0000088300000000, 0.0001552800000000, -0.0000687200000000 ] - [ 0.0000366200000000, -0.0001193500000000, -0.0000876900000000 ] - [ -0.0007975400000000, 0.0003138500000000, 0.0004812500000000 ] - [ 0.0008811500000000, -0.0000117500000000, -0.0002616800000000 ] - [ -0.0000427500000000, 0.0000531100000000, 0.0005664100000000 ] - [ 0.0016140500000000, -0.0003663900000000, 0.0015820600000000 ] - [ 0.0001747000000000, 0.0001324600000000, -0.0000507300000000 ] - [ 0.0012885400000000, 0.0000212200000000, 0.0010019900000000 ] - [ 0.0000349500000000, -0.0001741500000000, -0.0000660100000000 ] - [ 0.0002114500000000, 0.0001265500000000, -0.0003107900000000 ] - [ 0.0000523200000000, 0.0001856500000000, -0.0000395100000000 ] - [ 0.0006278000000000, 0.0010260800000000, 0.0004174400000000 ] - [ 0.0000506500000000, 0.0000153800000000, 0.0001357400000000 ] - [ 0.0000675000000000, -0.0000628700000000, 0.0000107500000000 ] - [ 0.0000332500000000, 0.0000020900000000, -0.0001177200000000 ] - [ -0.0000418700000000, -0.0000181100000000, -0.0000266100000000 ] - [ -0.0000698000000000, -0.0000824700000000, -0.0000049500000000 ] - [ -0.0033496500000000, 0.0034323900000000, 0.0030210700000000 ] - [ -0.0000858200000000, -0.0001187200000000, 0.0000045100000000 ] - [ -0.0001008900000000, -0.0000510200000000, 0.0000282300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0076655500000000, -0.0058540200000000, 0.0317425600000000 ] - [ 0.0001643700000000, -0.0000601300000000, 0.0000930200000000 ] - [ 0.0001260400000000, -0.0003725600000000, 0.0002774000000000 ] - [ -0.0007275100000000, 0.0005538700000000, 0.0013207400000000 ] - [ -0.0000382900000000, -0.0001851400000000, 0.0003937200000000 ] - [ 0.0000990600000000, 0.0001113300000000, 0.0000931000000000 ] - [ 0.0000140200000000, 0.0003012500000000, -0.0001428700000000 ] - [ 0.0000775900000000, 0.0000911100000000, -0.0001014500000000 ] - [ 0.0001452800000000, -0.0000583800000000, 0.0002111200000000 ] - [ -0.0029010400000000, -0.0019987500000000, -0.0020631900000000 ] - [ -0.0001362200000000, 0.0000035300000000, 0.0001004400000000 ] - [ -0.0006740800000000, -0.0005641900000000, 0.0016002300000000 ] - [ 0.0000028400000000, -0.0003348600000000, -0.0000847400000000 ] - [ -0.0001686600000000, -0.0000950000000000, -0.0001423000000000 ] - [ 0.0000436400000000, 0.0002261300000000, -0.0002349300000000 ] - [ -0.0001517400000000, -0.0000090300000000, -0.0001276100000000 ] - [ 0.0012452800000000, 0.0001618300000000, -0.0003166600000000 ] - [ 0.0000008800000000, -0.0003132900000000, -0.0014625500000000 ] - [ 0.0002010800000000, 0.0001777500000000, 0.0001113400000000 ] - [ -0.0000574900000000, 0.0000287600000000, 0.0001791300000000 ] - [ -0.0000769800000000, 0.0000367800000000, 0.0004749100000000 ] - [ 0.0001778500000000, -0.0002842800000000, -0.0060239600000000 ] - [ -0.0001873400000000, 0.0001987700000000, 0.0004602400000000 ] - [ 0.0000288400000000, 0.0002998300000000, 0.0001492600000000 ] - [ 0.0002237800000000, 0.0000654800000000, -0.0002857300000000 ] - [ 0.0006262900000000, -0.0003408400000000, 0.0014347500000000 ] - [ 0.0000532500000000, -0.0000179900000000, -0.0003079300000000 ] - [ 0.0001015900000000, -0.0000160900000000, -0.0016614900000000 ] - [ 0.0002370200000000, 0.0009776800000000, 0.0031223600000000 ] - [ 0.0000124700000000, -0.0000780500000000, 0.0001177800000000 ] - [ 0.0000576600000000, 0.0000669800000000, 0.0001235700000000 ] - [ 0.0000216800000000, 0.0002689700000000, -0.0001050500000000 ] - [ 0.0000131100000000, 0.0002465300000000, 0.0000890400000000 ] - [ 0.0000746800000000, -0.0000714700000000, -0.0000492900000000 ] - [ 0.0039650700000000, 0.0066703000000000, -0.0052586600000000 ] - [ 0.0001011300000000, -0.0003822100000000, -0.0002066500000000 ] - [ 0.0001962800000000, -0.0000411700000000, -0.0000363500000000 ] - [ 0.0045169800000000, 0.0015067700000000, 0.0004242100000000 ] - [ -0.0001637600000000, -0.0002595800000000, -0.0005635100000000 ] - [ -0.0000435700000000, -0.0020233900000000, -0.0008688700000000 ] - [ -0.0015414200000000, -0.0011720400000000, 0.0025625900000000 ] - [ -0.0002232900000000, 0.0002041800000000, 0.0005085800000000 ] - [ 0.0003625100000000, 0.0001226600000000, -0.0001933700000000 ] - [ 0.0001711600000000, -0.0001400400000000, 0.0001436800000000 ] - [ 0.0000154100000000, -0.0001444700000000, 0.0000716600000000 ] - [ -0.0000652300000000, 0.0105145900000000, -0.0136579600000000 ] - [ -0.0000985900000000, -0.0000595200000000, -0.0000209700000000 ] - [ 0.0003891700000000, 0.0002417600000000, 0.0002618000000000 ] - [ 0.0000287700000000, 0.0000987700000000, 0.0000980400000000 ] - [ 0.0000032800000000, 0.0001203200000000, 0.0000966200000000 ] - [ -0.0008621400000000, 0.0001073900000000, 0.0000586100000000 ] - [ -0.0001532200000000, -0.0002021000000000, 0.0006350300000000 ] - [ -0.0000397700000000, 0.0000932700000000, -0.0000847300000000 ] - [ 0.0003190700000000, -0.0000240500000000, -0.0001489700000000 ] - [ 0.0000996500000000, 0.0003393400000000, 0.0001484600000000 ] - [ 0.0002843000000000, 0.0000139900000000, 0.0001988700000000 ] - [ 0.0018708100000000, -0.0053201100000000, -0.0076145400000000 ] - [ 0.0001026600000000, 0.0000130700000000, -0.0001293800000000 ] - [ 0.0003230600000000, -0.0002294100000000, 0.0002146700000000 ] - [ -0.0008159000000000, 0.0001677200000000, -0.0003686800000000 ] - [ 0.0001375500000000, 0.0017010200000000, 0.0010403100000000 ] - [ -0.0000734100000000, 0.0005149400000000, -0.0000553700000000 ] - [ 0.0001118700000000, 0.0002381800000000, 0.0000404100000000 ] - [ -0.0000043400000000, 0.0000814800000000, -0.0000770300000000 ] - [ -0.0001411900000000, 0.0000168900000000, 0.0003241600000000 ] - [ -0.0006935900000000, -0.0008294400000000, 0.0003950300000000 ] - [ 0.0017630900000000, -0.0009531100000000, 0.0005047700000000 ] - [ 0.0003321900000000, -0.0000177600000000, -0.0002345600000000 ] - [ 0.0001473600000000, -0.0000091700000000, 0.0001335000000000 ] - [ 0.0003510400000000, 0.0000894100000000, 0.0001814700000000 ] - [ -0.0001015400000000, 0.0003819200000000, -0.0002078400000000 ] - [ -0.0002836400000000, -0.0000393100000000, -0.0005791200000000 ] - [ -0.0000414700000000, 0.0000591600000000, -0.0000776600000000 ] - [ 0.0000106700000000, -0.0000775900000000, -0.0000732800000000 ] - [ 0.0006946200000000, -0.0003110400000000, -0.0007340400000000 ] - [ -0.0008399300000000, 0.0002076900000000, 0.0000947600000000 ] - [ 0.0000761800000000, 0.0001616800000000, -0.0004206900000000 ] - [ -0.0021949800000000, 0.0002927300000000, -0.0010861500000000 ] - [ 0.0000406700000000, 0.0000081100000000, 0.0000056100000000 ] - [ -0.0011816200000000, -0.0002284300000000, -0.0010309400000000 ] - [ -0.0000023100000000, -0.0000407500000000, -0.0000811200000000 ] - [ -0.0002472000000000, -0.0003404500000000, 0.0001655800000000 ] - [ 0.0001024000000000, 0.0000121000000000, 0.0000553000000000 ] - [ -0.0005992500000000, -0.0008122500000000, -0.0005659400000000 ] - [ 0.0000534100000000, -0.0000155600000000, 0.0001190100000000 ] - [ -0.0001143700000000, -0.0001322700000000, -0.0001733500000000 ] - [ 0.0000710300000000, -0.0000022400000000, -0.0001370800000000 ] - [ -0.0001736100000000, 0.0001613600000000, 0.0000718300000000 ] - [ -0.0000849000000000, -0.0001142900000000, -0.0000112800000000 ] - [ 0.0033630400000000, -0.0032130100000000, -0.0028694500000000 ] - [ -0.0000689200000000, -0.0000785300000000, 0.0000113000000000 ] - [ -0.0001146500000000, -0.0000900500000000, 0.0000166800000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000557700000000, 0.0002135400000000, -0.0002181700000000 ] - [ -0.0340052400000000, -0.0019099300000000, 0.0050517400000000 ] - [ -0.0000288500000000, -0.0002925100000000, 0.0001315000000000 ] - [ 0.0014511300000000, -0.0022601700000000, -0.0002308300000000 ] - [ 0.0033483200000000, -0.0002772600000000, -0.0011827100000000 ] - [ -0.0017586700000000, 0.0003083900000000, 0.0001761600000000 ] - [ 0.0002186700000000, 0.0011398100000000, -0.0000525000000000 ] - [ 0.0008705000000000, -0.0000110200000000, 0.0000086400000000 ] - [ 0.0001953800000000, -0.0000738900000000, 0.0001643000000000 ] - [ 0.0001156800000000, -0.0000348900000000, -0.0001051200000000 ] - [ -0.0016536800000000, -0.0008379300000000, -0.0004058700000000 ] - [ -0.0000174400000000, -0.0002835000000000, -0.0001527300000000 ] - [ -0.0002815300000000, -0.0006194400000000, 0.0001055300000000 ] - [ 0.0018865000000000, 0.0011613300000000, 0.0007611700000000 ] - [ 0.0000214500000000, 0.0000459100000000, -0.0001656700000000 ] - [ -0.0000890400000000, 0.0003807500000000, -0.0001336700000000 ] - [ -0.0002993200000000, 0.0001886500000000, -0.0000602500000000 ] - [ -0.0000397100000000, -0.0000802500000000, 0.0001067500000000 ] - [ 0.0002048900000000, 0.0016116000000000, 0.0013745400000000 ] - [ -0.0001094600000000, -0.0002888600000000, 0.0002374500000000 ] - [ -0.0000513900000000, 0.0004708700000000, 0.0001079200000000 ] - [ 0.0000412500000000, 0.0000747800000000, 0.0001451800000000 ] - [ 0.0010101900000000, 0.0008863500000000, -0.0001245300000000 ] - [ 0.0008550500000000, -0.0004232900000000, -0.0001688700000000 ] - [ -0.0001385300000000, -0.0000956800000000, -0.0000886600000000 ] - [ 0.0002036700000000, 0.0000363000000000, 0.0001234600000000 ] - [ 0.0026038600000000, 0.0001041900000000, -0.0004465100000000 ] - [ 0.0000713700000000, -0.0005275600000000, 0.0000432900000000 ] - [ -0.0005339100000000, -0.0004661500000000, 0.0007394100000000 ] - [ -0.0000856100000000, -0.0001917200000000, 0.0001474000000000 ] - [ 0.0038902300000000, -0.0034898000000000, 0.0010754500000000 ] - [ -0.0003316500000000, 0.0001200900000000, -0.0001997200000000 ] - [ 0.0003042400000000, 0.0003571800000000, 0.0001314300000000 ] - [ 0.0001413000000000, 0.0055421000000000, -0.0040671900000000 ] - [ -0.0000459300000000, -0.0000576700000000, -0.0001159200000000 ] - [ 0.0000423500000000, -0.0002636100000000, -0.0001146000000000 ] - [ -0.0058825600000000, 0.0021440800000000, -0.0039872200000000 ] - [ 0.0002000700000000, 0.0005109000000000, -0.0000496800000000 ] - [ -0.0000921600000000, 0.0000704400000000, 0.0000341500000000 ] - [ 0.0011631600000000, -0.0005239700000000, 0.0001921400000000 ] - [ -0.0003770000000000, 0.0002083600000000, -0.0001627300000000 ] - [ -0.0003394800000000, 0.0000086500000000, 0.0002186500000000 ] - [ 0.0003719400000000, -0.0011023300000000, 0.0000544200000000 ] - [ 0.0000732600000000, -0.0001554700000000, 0.0000888400000000 ] - [ 0.0001156900000000, -0.0001680400000000, 0.0000512000000000 ] - [ -0.0001045900000000, -0.0000053400000000, 0.0000052000000000 ] - [ -0.0003109800000000, 0.0000180000000000, -0.0000103000000000 ] - [ -0.0000675000000000, -0.0000317200000000, 0.0001265700000000 ] - [ -0.0000721100000000, -0.0000027900000000, 0.0000926000000000 ] - [ -0.0002504500000000, -0.0000228600000000, 0.0000992000000000 ] - [ -0.0002808800000000, -0.0000409400000000, -0.0001990400000000 ] - [ -0.0007647000000000, -0.0000050100000000, 0.0000919800000000 ] - [ 0.0001634900000000, 0.0003594100000000, -0.0000636900000000 ] - [ 0.0087990100000000, -0.0016636300000000, -0.0007123700000000 ] - [ -0.0009855700000000, 0.0000756300000000, 0.0000475600000000 ] - [ 0.0020447600000000, -0.0003117500000000, 0.0004883000000000 ] - [ -0.0001645500000000, 0.0000163600000000, -0.0001204300000000 ] - [ 0.0029038700000000, -0.0003647300000000, -0.0001257500000000 ] - [ -0.0009472700000000, 0.0013521000000000, -0.0006095700000000 ] - [ -0.0000903600000000, -0.0000797300000000, 0.0001417700000000 ] - [ -0.0003899700000000, 0.0002944400000000, 0.0001753100000000 ] - [ -0.0003716400000000, 0.0003681900000000, 0.0001293100000000 ] - [ 0.0000641500000000, 0.0000311300000000, 0.0000204900000000 ] - [ 0.0008021500000000, -0.0004237600000000, 0.0009799200000000 ] - [ -0.0003609900000000, -0.0001421900000000, 0.0001887300000000 ] - [ -0.0003528900000000, -0.0001028600000000, -0.0001763700000000 ] - [ 0.0002654400000000, 0.0001877700000000, 0.0000619700000000 ] - [ -0.0011382800000000, 0.0004669500000000, 0.0000030100000000 ] - [ -0.0009721000000000, 0.0003444400000000, 0.0004781500000000 ] - [ 0.0001795000000000, 0.0009736700000000, -0.0000854500000000 ] - [ 0.0000535000000000, 0.0000943500000000, -0.0000026300000000 ] - [ 0.0005275400000000, -0.0006047600000000, -0.0003072300000000 ] - [ 0.0000412600000000, 0.0001829000000000, -0.0000480700000000 ] - [ -0.0000223100000000, -0.0000703400000000, -0.0000771500000000 ] - [ -0.0000428600000000, 0.0000233900000000, -0.0001268200000000 ] - [ -0.0001501500000000, -0.0000606400000000, -0.0001019500000000 ] - [ 0.0014630900000000, 0.0005899200000000, -0.0002653600000000 ] - [ -0.0003344100000000, 0.0000154600000000, 0.0002148100000000 ] - [ 0.0001572800000000, 0.0001101100000000, -0.0000385100000000 ] - [ -0.0000038300000000, -0.0001929500000000, -0.0000210400000000 ] - [ -0.0000796500000000, -0.0000723000000000, -0.0000803100000000 ] - [ 0.0008530500000000, -0.0006762500000000, 0.0005503600000000 ] - [ 0.0001081600000000, 0.0000810700000000, 0.0000136300000000 ] - [ -0.0004420600000000, -0.0000792200000000, -0.0001389100000000 ] - [ 0.0031245900000000, -0.0031515800000000, -0.0026319100000000 ] - [ 0.0084194700000000, 0.0048788300000000, -0.0004006500000000 ] - [ 0.0001485300000000, -0.0008495700000000, 0.0007900500000000 ] - [ 0.0051473300000000, -0.0026841700000000, 0.0024260800000000 ] - [ 0.0002562200000000, 0.0000574400000000, 0.0000222300000000 ] - [ 0.0002073200000000, 0.0005430000000000, 0.0001709200000000 ] - [ -0.0004261600000000, -0.0003359500000000, -0.0000087000000000 ] - [ 0.0001017600000000, -0.0002387900000000, -0.0000035300000000 ]- atom: 2 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001103300000000, 0.0003935500000000, -0.0000601700000000 ] - [ 0.0341108800000000, 0.0018024800000000, -0.0049344600000000 ] - [ -0.0000250000000000, -0.0003144500000000, 0.0001464100000000 ] - [ -0.0016369300000000, 0.0021968800000000, -0.0001273500000000 ] - [ -0.0033267600000000, -0.0003333700000000, 0.0014755900000000 ] - [ 0.0019323800000000, -0.0001162400000000, 0.0000094800000000 ] - [ -0.0001699000000000, -0.0005358800000000, -0.0002242900000000 ] - [ -0.0006995800000000, 0.0002214400000000, -0.0001969100000000 ] - [ 0.0000015300000000, 0.0000336900000000, 0.0001926400000000 ] - [ 0.0001935400000000, 0.0000359200000000, -0.0001371100000000 ] - [ 0.0013542400000000, 0.0008436200000000, 0.0006490100000000 ] - [ -0.0000369200000000, -0.0003238000000000, -0.0001252700000000 ] - [ 0.0003235500000000, 0.0000150400000000, -0.0003828200000000 ] - [ -0.0021839900000000, -0.0011472800000000, -0.0009906700000000 ] - [ 0.0001750500000000, -0.0000865900000000, -0.0001911500000000 ] - [ -0.0001082600000000, -0.0003379400000000, -0.0002230100000000 ] - [ 0.0001293700000000, 0.0000180600000000, -0.0001285800000000 ] - [ -0.0001309200000000, -0.0001267200000000, 0.0000813600000000 ] - [ -0.0004013100000000, -0.0016601600000000, -0.0010201600000000 ] - [ -0.0000869500000000, 0.0003304600000000, 0.0001194600000000 ] - [ -0.0000016800000000, 0.0001356200000000, 0.0001709800000000 ] - [ -0.0002118700000000, 0.0001317300000000, 0.0000429700000000 ] - [ -0.0008138300000000, -0.0008453500000000, 0.0004775200000000 ] - [ -0.0007995500000000, 0.0010334200000000, 0.0004463800000000 ] - [ -0.0000319900000000, -0.0001112000000000, -0.0000994500000000 ] - [ 0.0001059100000000, -0.0000362800000000, 0.0001187500000000 ] - [ -0.0024363700000000, -0.0003109000000000, 0.0002616200000000 ] - [ 0.0001251100000000, 0.0005702200000000, -0.0003981400000000 ] - [ 0.0005150700000000, 0.0009597200000000, -0.0004854400000000 ] - [ 0.0000601600000000, -0.0002939800000000, 0.0001055900000000 ] - [ -0.0037625900000000, 0.0035219300000000, -0.0009241400000000 ] - [ 0.0003582300000000, 0.0003649700000000, -0.0000529800000000 ] - [ -0.0002783800000000, 0.0001309000000000, 0.0001318700000000 ] - [ -0.0000115600000000, -0.0054966000000000, 0.0038794700000000 ] - [ -0.0001051500000000, 0.0000587100000000, -0.0000327400000000 ] - [ -0.0000684900000000, -0.0002191000000000, -0.0001472100000000 ] - [ 0.0059311700000000, -0.0026114200000000, 0.0037184500000000 ] - [ -0.0002264600000000, -0.0000264400000000, -0.0002027300000000 ] - [ -0.0000582500000000, -0.0000702300000000, 0.0001145400000000 ] - [ -0.0011371500000000, 0.0000342000000000, 0.0000636000000000 ] - [ -0.0003385400000000, 0.0000094900000000, -0.0002031700000000 ] - [ -0.0003763200000000, 0.0002097600000000, 0.0001474200000000 ] - [ 0.0003499000000000, 0.0013110100000000, -0.0004174000000000 ] - [ -0.0000271500000000, -0.0000410600000000, 0.0000728000000000 ] - [ -0.0000826900000000, -0.0000457900000000, 0.0000960500000000 ] - [ 0.0003207900000000, -0.0001347100000000, 0.0000399400000000 ] - [ 0.0000951600000000, -0.0001591800000000, -0.0000336500000000 ] - [ -0.0000366500000000, 0.0000315800000000, 0.0001277000000000 ] - [ 0.0000395700000000, 0.0002157400000000, 0.0000549400000000 ] - [ 0.0002067600000000, 0.0002196900000000, 0.0000623300000000 ] - [ -0.0003393700000000, 0.0000407100000000, -0.0002141200000000 ] - [ 0.0007189200000000, -0.0001894500000000, 0.0000706100000000 ] - [ -0.0002101600000000, -0.0001633000000000, -0.0000984900000000 ] - [ -0.0076394000000000, 0.0014570800000000, 0.0002491900000000 ] - [ 0.0007696900000000, 0.0000673800000000, -0.0000944000000000 ] - [ -0.0014170900000000, 0.0003147300000000, -0.0000790600000000 ] - [ -0.0000969100000000, -0.0000166400000000, -0.0001438500000000 ] - [ -0.0026280600000000, 0.0003794700000000, -0.0001230500000000 ] - [ 0.0016040700000000, -0.0015777900000000, 0.0009414500000000 ] - [ -0.0001715700000000, 0.0000796100000000, 0.0001226800000000 ] - [ 0.0003574100000000, -0.0005042700000000, -0.0000279300000000 ] - [ 0.0002204400000000, -0.0001683400000000, -0.0001126600000000 ] - [ 0.0001515100000000, 0.0001088800000000, 0.0000245400000000 ] - [ -0.0009614600000000, 0.0006174700000000, -0.0009995300000000 ] - [ -0.0003549500000000, -0.0000767600000000, 0.0001771100000000 ] - [ -0.0003628400000000, -0.0001163000000000, -0.0001893500000000 ] - [ -0.0001124100000000, -0.0003903000000000, -0.0000464500000000 ] - [ 0.0017598300000000, -0.0004712800000000, -0.0004174200000000 ] - [ 0.0012315600000000, -0.0003470700000000, -0.0002145700000000 ] - [ 0.0005373800000000, -0.0007594200000000, 0.0004489400000000 ] - [ 0.0001013100000000, 0.0001014100000000, -0.0000131400000000 ] - [ -0.0003128600000000, 0.0004666400000000, 0.0002638400000000 ] - [ -0.0000742600000000, 0.0000309200000000, -0.0000987400000000 ] - [ 0.0000679100000000, -0.0001267100000000, -0.0000839300000000 ] - [ -0.0000612000000000, -0.0000237300000000, -0.0001275100000000 ] - [ 0.0001967700000000, 0.0002577300000000, -0.0000598700000000 ] - [ -0.0014292900000000, -0.0003903100000000, 0.0004126000000000 ] - [ -0.0002852200000000, -0.0000157600000000, 0.0001980800000000 ] - [ 0.0000582700000000, 0.0000300900000000, -0.0000062700000000 ] - [ 0.0001582700000000, -0.0000032000000000, 0.0000045800000000 ] - [ 0.0001122700000000, -0.0001422800000000, -0.0000672900000000 ] - [ -0.0008872900000000, 0.0004665800000000, -0.0007023500000000 ] - [ 0.0000466000000000, 0.0001149500000000, 0.0000027500000000 ] - [ 0.0004734500000000, 0.0002952400000000, -0.0000088200000000 ] - [ -0.0031332200000000, 0.0032926200000000, 0.0029596600000000 ] - [ -0.0087005000000000, -0.0053123900000000, 0.0003044300000000 ] - [ -0.0000386200000000, 0.0008404900000000, -0.0010326700000000 ] - [ -0.0053337500000000, 0.0027519500000000, -0.0023103700000000 ] - [ -0.0004125300000000, -0.0002542400000000, -0.0000388000000000 ] - [ -0.0001611600000000, -0.0003470100000000, -0.0000089200000000 ] - [ 0.0002698100000000, 0.0001373800000000, 0.0000239700000000 ] - [ -0.0003181900000000, 0.0001000800000000, 0.0000473000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003308900000000, 0.0009531300000000, -0.0001821700000000 ] - [ -0.0016658400000000, -0.0360055500000000, 0.0096054700000000 ] - [ -0.0000063900000000, 0.0005207400000000, 0.0001512800000000 ] - [ -0.0026693900000000, -0.0004221900000000, 0.0000899400000000 ] - [ 0.0003680800000000, -0.0034263800000000, 0.0000807200000000 ] - [ -0.0001279000000000, 0.0054374700000000, 0.0001072300000000 ] - [ 0.0006589700000000, 0.0020635700000000, 0.0000732000000000 ] - [ 0.0002017600000000, 0.0004530300000000, -0.0001768100000000 ] - [ 0.0000198200000000, 0.0007084000000000, 0.0001177200000000 ] - [ 0.0001110000000000, 0.0009446600000000, -0.0001152300000000 ] - [ -0.0015157600000000, -0.0012215600000000, 0.0008642200000000 ] - [ -0.0000252900000000, 0.0005084300000000, -0.0001308800000000 ] - [ 0.0002052000000000, -0.0053371400000000, -0.0005255900000000 ] - [ 0.0015579000000000, -0.0007217000000000, -0.0003055200000000 ] - [ 0.0001087700000000, 0.0007762800000000, -0.0000606500000000 ] - [ -0.0000518200000000, 0.0006710400000000, -0.0002770200000000 ] - [ -0.0000003600000000, 0.0011098700000000, -0.0002052800000000 ] - [ -0.0001086000000000, 0.0006749700000000, 0.0000820400000000 ] - [ 0.0019031400000000, -0.0002851600000000, 0.0015007600000000 ] - [ -0.0001837500000000, 0.0006551200000000, 0.0002767300000000 ] - [ 0.0002788100000000, 0.0012281100000000, 0.0002234900000000 ] - [ -0.0001137700000000, 0.0005778700000000, 0.0001627000000000 ] - [ 0.0010091400000000, 0.0007064000000000, -0.0001005600000000 ] - [ -0.0005525600000000, 0.0009497200000000, 0.0003064800000000 ] - [ -0.0000932500000000, 0.0007452500000000, -0.0000986700000000 ] - [ 0.0001872100000000, 0.0006555400000000, 0.0001244500000000 ] - [ 0.0002923400000000, -0.0017581000000000, -0.0003572000000000 ] - [ -0.0009839600000000, 0.0010290500000000, 0.0000399400000000 ] - [ 0.0005081800000000, 0.0035112900000000, -0.0011038700000000 ] - [ -0.0000560700000000, 0.0006217000000000, 0.0001274000000000 ] - [ -0.0026493600000000, -0.0009162100000000, -0.0031593000000000 ] - [ -0.0001015700000000, 0.0011256700000000, -0.0000567700000000 ] - [ 0.0000402400000000, 0.0009238100000000, 0.0000070600000000 ] - [ 0.0051325800000000, -0.0000295100000000, -0.0003174100000000 ] - [ -0.0001365200000000, 0.0009338400000000, -0.0000702700000000 ] - [ -0.0000075900000000, 0.0004824300000000, -0.0001062600000000 ] - [ 0.0024507000000000, 0.0028663200000000, -0.0070079400000000 ] - [ -0.0002351000000000, 0.0002326400000000, -0.0004146700000000 ] - [ -0.0000157800000000, 0.0007863900000000, 0.0000836600000000 ] - [ -0.0000701300000000, -0.0009590500000000, 0.0004226800000000 ] - [ -0.0002560800000000, -0.0006782200000000, -0.0001476500000000 ] - [ -0.0004710000000000, -0.0005384800000000, 0.0001960500000000 ] - [ -0.0003872800000000, 0.0000679200000000, -0.0001151000000000 ] - [ 0.0000481900000000, -0.0005791400000000, 0.0001399100000000 ] - [ 0.0000528300000000, -0.0009946300000000, -0.0000079500000000 ] - [ 0.0002918000000000, -0.0002643200000000, 0.0000387300000000 ] - [ -0.0002262100000000, -0.0004155400000000, -0.0000873300000000 ] - [ -0.0000980600000000, -0.0004906600000000, 0.0001161400000000 ] - [ 0.0000216100000000, -0.0005796600000000, 0.0001892600000000 ] - [ -0.0002161900000000, -0.0003245500000000, 0.0000166300000000 ] - [ -0.0003709500000000, -0.0005474800000000, -0.0002376200000000 ] - [ 0.0002142700000000, 0.0006473300000000, 0.0001145300000000 ] - [ 0.0002624700000000, -0.0005055500000000, -0.0000753100000000 ] - [ -0.0008372200000000, 0.0030487300000000, 0.0002016500000000 ] - [ -0.0005179800000000, 0.0008699200000000, 0.0000769400000000 ] - [ -0.0011119400000000, 0.0052431000000000, -0.0037730700000000 ] - [ -0.0000686800000000, -0.0006313200000000, -0.0001407900000000 ] - [ 0.0004577700000000, 0.0031589400000000, 0.0000014000000000 ] - [ 0.0011665700000000, 0.0027819900000000, 0.0006566100000000 ] - [ -0.0001863000000000, -0.0007610500000000, 0.0001395400000000 ] - [ 0.0002445400000000, 0.0003593100000000, 0.0002287100000000 ] - [ 0.0003390300000000, 0.0016192200000000, -0.0002262900000000 ] - [ -0.0000000400000000, -0.0004040500000000, -0.0000024100000000 ] - [ -0.0003965200000000, 0.0023113800000000, 0.0008378800000000 ] - [ -0.0003347100000000, -0.0008026900000000, 0.0002008700000000 ] - [ -0.0003167800000000, -0.0008623900000000, -0.0002135700000000 ] - [ 0.0000987300000000, -0.0015712200000000, 0.0000113900000000 ] - [ 0.0008387200000000, 0.0006623900000000, 0.0003143300000000 ] - [ 0.0003102600000000, 0.0008821300000000, 0.0001026000000000 ] - [ 0.0009122500000000, 0.0000599000000000, 0.0006265300000000 ] - [ 0.0001092400000000, -0.0005411000000000, -0.0000340700000000 ] - [ 0.0000238100000000, -0.0008900400000000, -0.0000406000000000 ] - [ 0.0000625400000000, -0.0006601000000000, -0.0001888100000000 ] - [ 0.0000572100000000, -0.0004917700000000, -0.0001308900000000 ] - [ -0.0000197100000000, -0.0005902900000000, -0.0001390400000000 ] - [ -0.0001282400000000, 0.0000466400000000, -0.0000247400000000 ] - [ 0.0000589700000000, -0.0011945500000000, 0.0001682100000000 ] - [ -0.0002378700000000, -0.0004837800000000, 0.0001877500000000 ] - [ 0.0000063500000000, -0.0004484900000000, 0.0000034700000000 ] - [ -0.0001000300000000, -0.0004111700000000, 0.0000988700000000 ] - [ 0.0000646500000000, -0.0007638800000000, 0.0000212400000000 ] - [ -0.0005386800000000, -0.0009140900000000, 0.0005202400000000 ] - [ 0.0000964700000000, -0.0006554500000000, 0.0000470700000000 ] - [ -0.0001115700000000, 0.0003582400000000, -0.0001666200000000 ] - [ -0.0036751200000000, 0.0064374300000000, 0.0033584400000000 ] - [ 0.0055231400000000, 0.0064152800000000, -0.0005242000000000 ] - [ -0.0006762200000000, 0.0006582900000000, -0.0005963200000000 ] - [ -0.0034667000000000, 0.0044645800000000, -0.0015496900000000 ] - [ 0.0001570700000000, -0.0008203700000000, -0.0000612600000000 ] - [ 0.0002704700000000, -0.0006318800000000, 0.0001957900000000 ] - [ -0.0000729300000000, -0.0005591300000000, -0.0000010000000000 ] - [ -0.0001981900000000, -0.0008558600000000, -0.0000015600000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002782900000000, -0.0003472800000000, -0.0000963300000000 ] - [ 0.0020461800000000, 0.0356923100000000, -0.0096052300000000 ] - [ -0.0000477600000000, -0.0011290100000000, 0.0001265600000000 ] - [ 0.0024920600000000, 0.0003804900000000, -0.0004478700000000 ] - [ -0.0003099200000000, 0.0028218000000000, 0.0001955400000000 ] - [ 0.0002967200000000, -0.0051644200000000, 0.0000828200000000 ] - [ -0.0006068000000000, -0.0014551600000000, -0.0003468300000000 ] - [ -0.0000307200000000, -0.0002460200000000, -0.0000120000000000 ] - [ 0.0001770000000000, -0.0007505000000000, 0.0002395100000000 ] - [ 0.0001982600000000, -0.0009460900000000, -0.0001267100000000 ] - [ 0.0012060100000000, 0.0012241900000000, -0.0006206600000000 ] - [ -0.0000286800000000, -0.0011171700000000, -0.0001472800000000 ] - [ -0.0001557900000000, 0.0047348200000000, 0.0002460000000000 ] - [ -0.0018656900000000, 0.0007199800000000, 0.0000617100000000 ] - [ 0.0000885800000000, -0.0008188100000000, -0.0002961400000000 ] - [ -0.0001450700000000, -0.0006309200000000, -0.0000795900000000 ] - [ -0.0001708400000000, -0.0009061000000000, 0.0000170800000000 ] - [ -0.0000621600000000, -0.0008832400000000, 0.0001065400000000 ] - [ -0.0021134700000000, 0.0002444000000000, -0.0011534000000000 ] - [ -0.0000133700000000, -0.0006153500000000, 0.0000796200000000 ] - [ -0.0003332800000000, -0.0006238100000000, 0.0000544900000000 ] - [ -0.0000567700000000, -0.0003711800000000, 0.0000254000000000 ] - [ -0.0008153500000000, -0.0006644800000000, 0.0004566800000000 ] - [ 0.0006084000000000, -0.0003428000000000, -0.0000283100000000 ] - [ -0.0000777500000000, -0.0009533900000000, -0.0000897700000000 ] - [ 0.0001220900000000, -0.0006564800000000, 0.0001175100000000 ] - [ -0.0001226900000000, 0.0015561200000000, 0.0001737300000000 ] - [ 0.0011863900000000, -0.0009905200000000, -0.0003987000000000 ] - [ -0.0005332500000000, -0.0030486200000000, 0.0013620300000000 ] - [ 0.0000300400000000, -0.0011076700000000, 0.0001255100000000 ] - [ 0.0027904900000000, 0.0009108400000000, 0.0032984300000000 ] - [ 0.0001281000000000, -0.0006421800000000, -0.0001946800000000 ] - [ -0.0000139000000000, -0.0004397000000000, 0.0002558700000000 ] - [ -0.0049551300000000, 0.0000130100000000, 0.0001646100000000 ] - [ -0.0000156500000000, -0.0009352900000000, -0.0000791500000000 ] - [ -0.0000182300000000, -0.0009677100000000, -0.0001553800000000 ] - [ -0.0024476500000000, -0.0033849400000000, 0.0068130500000000 ] - [ 0.0002099900000000, 0.0002537700000000, 0.0001634400000000 ] - [ -0.0001367200000000, -0.0007873000000000, 0.0000655000000000 ] - [ 0.0000952400000000, 0.0004725800000000, -0.0001703100000000 ] - [ -0.0004602600000000, 0.0008987900000000, -0.0002181400000000 ] - [ -0.0002440100000000, 0.0007577700000000, 0.0001697500000000 ] - [ 0.0010992700000000, 0.0001536300000000, -0.0002490300000000 ] - [ -0.0000028900000000, 0.0003831600000000, 0.0000210300000000 ] - [ -0.0000204000000000, 0.0007819900000000, 0.0001561900000000 ] - [ -0.0000760600000000, 0.0001244100000000, 0.0000067500000000 ] - [ 0.0000102300000000, 0.0002763400000000, 0.0000430100000000 ] - [ -0.0000055200000000, 0.0004916700000000, 0.0001377200000000 ] - [ -0.0000543100000000, 0.0007942700000000, -0.0000414500000000 ] - [ 0.0001725400000000, 0.0005233900000000, 0.0001440900000000 ] - [ -0.0002494600000000, 0.0005488000000000, -0.0001754500000000 ] - [ -0.0002617700000000, -0.0008442000000000, 0.0000477000000000 ] - [ -0.0003056500000000, 0.0007016800000000, -0.0000875200000000 ] - [ 0.0015620800000000, -0.0032553500000000, -0.0005671300000000 ] - [ 0.0003025000000000, -0.0007310300000000, -0.0001219200000000 ] - [ 0.0017414000000000, -0.0051089600000000, 0.0040170000000000 ] - [ -0.0001931300000000, 0.0006325600000000, -0.0001237100000000 ] - [ -0.0001528100000000, -0.0030564000000000, -0.0001631900000000 ] - [ -0.0004623200000000, -0.0029972300000000, -0.0003014300000000 ] - [ -0.0000751500000000, 0.0007629800000000, 0.0001252700000000 ] - [ -0.0002783800000000, -0.0005743600000000, -0.0000824100000000 ] - [ -0.0004981100000000, -0.0014251400000000, 0.0002405900000000 ] - [ 0.0002165600000000, 0.0005453400000000, 0.0000474900000000 ] - [ 0.0002393800000000, -0.0021208200000000, -0.0008496300000000 ] - [ -0.0003809600000000, 0.0005857900000000, 0.0001647200000000 ] - [ -0.0003989600000000, 0.0006455500000000, -0.0001518400000000 ] - [ 0.0000549300000000, 0.0013731700000000, 0.0000043400000000 ] - [ -0.0002136600000000, -0.0006624000000000, -0.0007248900000000 ] - [ -0.0000506500000000, -0.0008839600000000, 0.0001599000000000 ] - [ -0.0001949900000000, 0.0001611400000000, -0.0002604800000000 ] - [ 0.0000455400000000, 0.0007385000000000, 0.0000182100000000 ] - [ 0.0001929000000000, 0.0007547300000000, -0.0000034600000000 ] - [ -0.0000954300000000, 0.0008751300000000, 0.0000417000000000 ] - [ -0.0000121200000000, 0.0002957100000000, -0.0000293300000000 ] - [ -0.0000843100000000, 0.0005917400000000, -0.0001147100000000 ] - [ 0.0001745700000000, 0.0001497000000000, -0.0001357700000000 ] - [ -0.0000132500000000, 0.0013337400000000, -0.0000564500000000 ] - [ -0.0003829100000000, 0.0004847100000000, 0.0002254400000000 ] - [ 0.0002101000000000, 0.0005898100000000, -0.0000483300000000 ] - [ 0.0002557600000000, 0.0002147800000000, -0.0001162800000000 ] - [ -0.0000321000000000, 0.0005523700000000, -0.0001694900000000 ] - [ 0.0005093600000000, 0.0007092000000000, -0.0006737900000000 ] - [ 0.0000583300000000, 0.0008530200000000, -0.0000307300000000 ] - [ 0.0001450400000000, -0.0001461700000000, 0.0000185900000000 ] - [ 0.0036177000000000, -0.0062847400000000, -0.0030120400000000 ] - [ -0.0057609700000000, -0.0067519600000000, 0.0004172700000000 ] - [ 0.0007780800000000, -0.0006564800000000, 0.0003382200000000 ] - [ 0.0033377400000000, -0.0044231700000000, 0.0017123300000000 ] - [ -0.0003118800000000, 0.0006263000000000, 0.0000436600000000 ] - [ -0.0002264900000000, 0.0008319500000000, -0.0000357900000000 ] - [ -0.0000832500000000, 0.0003643200000000, 0.0000164900000000 ] - [ -0.0000190500000000, 0.0007160800000000, 0.0000436500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000286700000000, 0.0002732900000000, -0.0001388500000000 ] - [ 0.0050234400000000, 0.0094401400000000, -0.0239150800000000 ] - [ -0.0000236000000000, -0.0003065400000000, 0.0001468100000000 ] - [ -0.0002145200000000, 0.0001900700000000, -0.0013139200000000 ] - [ -0.0010965900000000, -0.0001575600000000, 0.0003565300000000 ] - [ 0.0001668600000000, 0.0000858500000000, -0.0018126300000000 ] - [ 0.0001740000000000, 0.0004485700000000, 0.0014192100000000 ] - [ -0.0000172800000000, 0.0000205300000000, -0.0001095100000000 ] - [ 0.0000645600000000, -0.0000202400000000, 0.0001819000000000 ] - [ 0.0001533200000000, 0.0001283900000000, -0.0001416400000000 ] - [ -0.0003908700000000, 0.0003139500000000, 0.0017657400000000 ] - [ -0.0000209400000000, -0.0003045900000000, -0.0001386700000000 ] - [ 0.0006123800000000, 0.0001099100000000, 0.0059746400000000 ] - [ 0.0013721700000000, 0.0000870900000000, -0.0005775600000000 ] - [ 0.0001337800000000, 0.0000148600000000, -0.0001332600000000 ] - [ -0.0000531500000000, -0.0001604900000000, -0.0002370900000000 ] - [ -0.0000514500000000, -0.0000092700000000, -0.0002665900000000 ] - [ -0.0000980300000000, -0.0001150200000000, 0.0000904900000000 ] - [ 0.0008212200000000, 0.0007938800000000, 0.0008223800000000 ] - [ -0.0001206200000000, -0.0000090000000000, 0.0002101500000000 ] - [ 0.0000711600000000, 0.0001647200000000, 0.0003536400000000 ] - [ -0.0001364000000000, 0.0000341100000000, 0.0000928500000000 ] - [ -0.0002004300000000, -0.0002173400000000, 0.0002386800000000 ] - [ -0.0002466500000000, 0.0003734500000000, 0.0003305100000000 ] - [ -0.0000800700000000, -0.0000982600000000, -0.0000979000000000 ] - [ 0.0001412300000000, -0.0000182000000000, 0.0001086900000000 ] - [ 0.0004389600000000, 0.0001635300000000, 0.0001249400000000 ] - [ 0.0001990900000000, -0.0005730700000000, 0.0010580300000000 ] - [ 0.0005495500000000, 0.0022293800000000, -0.0016997000000000 ] - [ -0.0000082200000000, -0.0002547400000000, 0.0000738100000000 ] - [ 0.0004629400000000, -0.0020917000000000, -0.0028078100000000 ] - [ -0.0001546300000000, 0.0003302900000000, -0.0001033700000000 ] - [ -0.0000127500000000, 0.0001260300000000, 0.0001056800000000 ] - [ -0.0041545500000000, -0.0015406000000000, 0.0002825400000000 ] - [ -0.0000830400000000, 0.0000688300000000, -0.0000485800000000 ] - [ -0.0000196500000000, -0.0002675500000000, -0.0001108300000000 ] - [ -0.0039938800000000, -0.0054396700000000, 0.0038313900000000 ] - [ -0.0000295600000000, 0.0000806600000000, 0.0000136000000000 ] - [ -0.0000512300000000, -0.0000679400000000, 0.0001142900000000 ] - [ 0.0002016900000000, -0.0001129300000000, 0.0004187200000000 ] - [ -0.0003265400000000, 0.0000373500000000, -0.0001680300000000 ] - [ -0.0003211600000000, 0.0002169400000000, 0.0002053800000000 ] - [ 0.0007493500000000, 0.0005418800000000, 0.0001696100000000 ] - [ 0.0000068300000000, -0.0001203800000000, 0.0000991400000000 ] - [ -0.0000229800000000, -0.0000912600000000, 0.0001170300000000 ] - [ 0.0002025900000000, -0.0000342200000000, -0.0000091300000000 ] - [ -0.0000632700000000, -0.0000424900000000, -0.0000173100000000 ] - [ -0.0000558000000000, 0.0000180000000000, 0.0001204300000000 ] - [ -0.0000170000000000, 0.0001430800000000, 0.0000736900000000 ] - [ -0.0001208600000000, 0.0001006400000000, 0.0001462300000000 ] - [ -0.0003421400000000, 0.0000197900000000, -0.0002395000000000 ] - [ -0.0003234300000000, -0.0002966000000000, -0.0001703300000000 ] - [ -0.0000113400000000, 0.0000254000000000, -0.0000987500000000 ] - [ -0.0003359400000000, 0.0001731000000000, 0.0010395900000000 ] - [ -0.0000871200000000, -0.0000753200000000, -0.0002223200000000 ] - [ 0.0015697000000000, -0.0036847100000000, 0.0049714300000000 ] - [ -0.0000984400000000, 0.0000107000000000, -0.0001215100000000 ] - [ 0.0006214700000000, 0.0002105700000000, 0.0021122700000000 ] - [ -0.0008680700000000, 0.0006524400000000, 0.0010682100000000 ] - [ -0.0001595100000000, 0.0000210500000000, 0.0001399700000000 ] - [ -0.0000944200000000, -0.0000716000000000, 0.0000379300000000 ] - [ -0.0003097800000000, -0.0000450300000000, 0.0000463800000000 ] - [ 0.0001116700000000, 0.0000846400000000, 0.0000142400000000 ] - [ 0.0007927000000000, 0.0007825200000000, -0.0024941000000000 ] - [ -0.0003558300000000, -0.0000867300000000, 0.0001812800000000 ] - [ -0.0003564800000000, -0.0001206200000000, -0.0001971200000000 ] - [ 0.0000374400000000, -0.0008468200000000, -0.0000848300000000 ] - [ 0.0007253500000000, 0.0001801600000000, 0.0003375100000000 ] - [ 0.0004920000000000, -0.0000138800000000, -0.0004044600000000 ] - [ 0.0002325800000000, 0.0003375000000000, 0.0006439500000000 ] - [ 0.0000820500000000, 0.0001151700000000, -0.0000100600000000 ] - [ -0.0001290300000000, -0.0001622400000000, 0.0002148000000000 ] - [ 0.0000079800000000, 0.0000730100000000, -0.0000936100000000 ] - [ 0.0000288100000000, -0.0000906600000000, -0.0000864000000000 ] - [ -0.0000614000000000, 0.0000057900000000, -0.0001401300000000 ] - [ 0.0000833000000000, 0.0000570600000000, -0.0002189100000000 ] - [ -0.0003799200000000, -0.0012495800000000, 0.0020721200000000 ] - [ -0.0002767000000000, -0.0000069300000000, 0.0001885200000000 ] - [ 0.0001007300000000, 0.0000624800000000, -0.0000114000000000 ] - [ -0.0000162300000000, -0.0000898800000000, -0.0000232800000000 ] - [ 0.0000262800000000, -0.0000670500000000, -0.0000809400000000 ] - [ 0.0004451400000000, 0.0008505900000000, -0.0007561900000000 ] - [ 0.0000648100000000, 0.0000755400000000, 0.0000175100000000 ] - [ 0.0001554000000000, 0.0001687300000000, 0.0000502500000000 ] - [ -0.0027544500000000, 0.0028736200000000, 0.0029728000000000 ] - [ -0.0013648000000000, -0.0015277900000000, 0.0008808500000000 ] - [ 0.0000492000000000, 0.0001007500000000, -0.0006779200000000 ] - [ 0.0033759900000000, -0.0027350800000000, 0.0034483300000000 ] - [ 0.0000659000000000, -0.0002318600000000, -0.0001860500000000 ] - [ 0.0000919300000000, 0.0002793600000000, 0.0005946600000000 ] - [ -0.0000620100000000, -0.0000006600000000, 0.0000971400000000 ] - [ -0.0001040900000000, -0.0002393100000000, -0.0000111600000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000247800000000, 0.0003327500000000, -0.0001415700000000 ] - [ -0.0049604900000000, -0.0097706600000000, 0.0240814800000000 ] - [ -0.0000305100000000, -0.0002998900000000, 0.0001327700000000 ] - [ 0.0000138300000000, -0.0002261300000000, 0.0009582800000000 ] - [ 0.0011532700000000, -0.0004497900000000, -0.0000820900000000 ] - [ 0.0000000700000000, 0.0001112600000000, 0.0020038900000000 ] - [ -0.0001200200000000, 0.0001631000000000, -0.0016944500000000 ] - [ 0.0001883300000000, 0.0001863800000000, -0.0000810900000000 ] - [ 0.0001327100000000, -0.0000208900000000, 0.0001751000000000 ] - [ 0.0001559500000000, -0.0001284000000000, -0.0001001400000000 ] - [ 0.0000740500000000, -0.0003025000000000, -0.0015228600000000 ] - [ -0.0000333100000000, -0.0003022800000000, -0.0001411300000000 ] - [ -0.0005190400000000, -0.0007201700000000, -0.0062410100000000 ] - [ -0.0016787600000000, -0.0000862500000000, 0.0003346400000000 ] - [ 0.0000634000000000, -0.0000561200000000, -0.0002234300000000 ] - [ -0.0001443100000000, 0.0002018600000000, -0.0001199800000000 ] - [ -0.0001197200000000, 0.0002140100000000, 0.0000762000000000 ] - [ -0.0000725600000000, -0.0000915600000000, 0.0000993000000000 ] - [ -0.0010266000000000, -0.0008447900000000, -0.0004592500000000 ] - [ -0.0000765400000000, 0.0000498600000000, 0.0001468500000000 ] - [ -0.0001250900000000, 0.0004408800000000, -0.0000732600000000 ] - [ -0.0000341100000000, 0.0001723000000000, 0.0000967800000000 ] - [ 0.0003998600000000, 0.0002630800000000, 0.0001156200000000 ] - [ 0.0003048900000000, 0.0002311900000000, -0.0000508100000000 ] - [ -0.0000908000000000, -0.0001081300000000, -0.0000919200000000 ] - [ 0.0001684200000000, 0.0000180400000000, 0.0001329600000000 ] - [ -0.0002692000000000, -0.0003683300000000, -0.0003145800000000 ] - [ 0.0000001000000000, 0.0006159000000000, -0.0014146500000000 ] - [ -0.0005776700000000, -0.0017486600000000, 0.0019601100000000 ] - [ -0.0000184000000000, -0.0002304300000000, 0.0001795400000000 ] - [ -0.0003020400000000, 0.0020898900000000, 0.0029708400000000 ] - [ 0.0001799900000000, 0.0001543300000000, -0.0001498400000000 ] - [ 0.0000392800000000, 0.0003607500000000, 0.0001580700000000 ] - [ 0.0043264600000000, 0.0015381300000000, -0.0004247800000000 ] - [ -0.0000677400000000, -0.0000687900000000, -0.0001011300000000 ] - [ -0.0000068600000000, -0.0002163400000000, -0.0001516500000000 ] - [ 0.0039964500000000, 0.0048801900000000, -0.0040950800000000 ] - [ 0.0000027600000000, 0.0004048800000000, -0.0002660900000000 ] - [ -0.0000992800000000, 0.0000679100000000, 0.0000354100000000 ] - [ -0.0001777300000000, -0.0003752600000000, -0.0001653300000000 ] - [ -0.0003891500000000, 0.0001811100000000, -0.0001980100000000 ] - [ -0.0003938500000000, 0.0000013300000000, 0.0001602900000000 ] - [ -0.0000372000000000, -0.0003236300000000, -0.0005342900000000 ] - [ 0.0000386800000000, -0.0000760400000000, 0.0000618800000000 ] - [ 0.0000558400000000, -0.0001221400000000, 0.0000303400000000 ] - [ 0.0000140100000000, -0.0001064200000000, 0.0000544700000000 ] - [ -0.0001533100000000, -0.0000979900000000, -0.0000274900000000 ] - [ -0.0000481300000000, -0.0000178800000000, 0.0001335200000000 ] - [ -0.0000157500000000, 0.0000700800000000, 0.0000740100000000 ] - [ 0.0000771000000000, 0.0000966800000000, 0.0000138900000000 ] - [ -0.0002781400000000, -0.0000195500000000, -0.0001737200000000 ] - [ 0.0002784200000000, 0.0001026300000000, 0.0003299800000000 ] - [ -0.0000335600000000, 0.0001718900000000, -0.0000628700000000 ] - [ 0.0010359300000000, -0.0003874400000000, -0.0014029600000000 ] - [ -0.0001318700000000, 0.0002155200000000, 0.0001792000000000 ] - [ -0.0009405000000000, 0.0038672800000000, -0.0047265300000000 ] - [ -0.0001632500000000, -0.0000105300000000, -0.0001430800000000 ] - [ -0.0003099400000000, -0.0001076200000000, -0.0022593800000000 ] - [ 0.0015429900000000, -0.0008668800000000, -0.0007408100000000 ] - [ -0.0001020400000000, -0.0000207500000000, 0.0001248800000000 ] - [ 0.0000626700000000, -0.0001408300000000, 0.0001093300000000 ] - [ 0.0001522400000000, 0.0002433400000000, -0.0000303800000000 ] - [ 0.0001046600000000, 0.0000560000000000, 0.0000309100000000 ] - [ -0.0009309000000000, -0.0005569600000000, 0.0024673100000000 ] - [ -0.0003597100000000, -0.0001311800000000, 0.0001841900000000 ] - [ -0.0003589800000000, -0.0000973900000000, -0.0001683000000000 ] - [ 0.0001166800000000, 0.0006481600000000, 0.0001019100000000 ] - [ -0.0001031700000000, -0.0001822400000000, -0.0007531500000000 ] - [ -0.0002347700000000, 0.0000143700000000, 0.0006723200000000 ] - [ 0.0004848200000000, -0.0001213400000000, -0.0002793000000000 ] - [ 0.0000727600000000, 0.0000811800000000, -0.0000062700000000 ] - [ 0.0003459100000000, 0.0000220400000000, -0.0002614200000000 ] - [ -0.0000408200000000, 0.0001407100000000, -0.0000534200000000 ] - [ 0.0000163300000000, -0.0001058800000000, -0.0000740000000000 ] - [ -0.0000426700000000, -0.0000054100000000, -0.0001138900000000 ] - [ -0.0000369300000000, 0.0001398500000000, 0.0000580400000000 ] - [ 0.0004228800000000, 0.0014236100000000, -0.0019545700000000 ] - [ -0.0003435300000000, 0.0000070300000000, 0.0002244600000000 ] - [ 0.0001156300000000, 0.0000784300000000, -0.0000337600000000 ] - [ 0.0001715500000000, -0.0001067200000000, 0.0000059200000000 ] - [ 0.0000063500000000, -0.0001460600000000, -0.0000670200000000 ] - [ -0.0004754900000000, -0.0010542400000000, 0.0006075700000000 ] - [ 0.0000901300000000, 0.0001209800000000, -0.0000007600000000 ] - [ -0.0001213900000000, 0.0000445100000000, -0.0001985300000000 ] - [ 0.0028212600000000, -0.0028373700000000, -0.0027154100000000 ] - [ 0.0013129400000000, 0.0013304000000000, -0.0010403200000000 ] - [ 0.0000519800000000, -0.0001013800000000, 0.0004205800000000 ] - [ -0.0034956000000000, 0.0027477700000000, -0.0032838000000000 ] - [ -0.0002205600000000, 0.0000357100000000, 0.0001686300000000 ] - [ -0.0000475500000000, -0.0000794100000000, -0.0004346400000000 ] - [ -0.0000945000000000, -0.0001970500000000, -0.0000818300000000 ] - [ -0.0001127700000000, 0.0000984100000000, 0.0000545700000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016746500000000, -0.0001835800000000, 0.0004877500000000 ] - [ 0.0016230300000000, -0.0026713900000000, -0.0000187800000000 ] - [ 0.0000704400000000, -0.0002949100000000, 0.0001796200000000 ] - [ -0.0319744600000000, -0.0021001300000000, 0.0014497100000000 ] - [ 0.0010861400000000, 0.0004416000000000, 0.0004280900000000 ] - [ 0.0000957100000000, 0.0000565000000000, 0.0001390200000000 ] - [ -0.0000547700000000, 0.0002780700000000, -0.0001930100000000 ] - [ 0.0000728700000000, 0.0001884800000000, -0.0000717500000000 ] - [ 0.0001258100000000, -0.0000285300000000, 0.0001700500000000 ] - [ 0.0000947700000000, 0.0003699300000000, -0.0001164800000000 ] - [ 0.0000126600000000, -0.0002477600000000, 0.0000503900000000 ] - [ -0.0001461100000000, -0.0002560300000000, -0.0000852900000000 ] - [ -0.0011200600000000, -0.0013479300000000, -0.0001352400000000 ] - [ -0.0003991900000000, 0.0005983600000000, -0.0002815700000000 ] - [ 0.0000691900000000, 0.0000353500000000, -0.0001833700000000 ] - [ -0.0001484900000000, 0.0000531300000000, -0.0001840500000000 ] - [ 0.0008264700000000, 0.0010144000000000, -0.0003923600000000 ] - [ -0.0001622800000000, -0.0001149600000000, 0.0000587300000000 ] - [ 0.0031546200000000, 0.0000422600000000, -0.0001159500000000 ] - [ -0.0000646100000000, 0.0000387800000000, 0.0001847000000000 ] - [ 0.0008041900000000, 0.0004314400000000, 0.0004366400000000 ] - [ -0.0001139200000000, -0.0009792700000000, -0.0000061200000000 ] - [ 0.0021017600000000, -0.0005598200000000, 0.0009745400000000 ] - [ 0.0001291600000000, 0.0003703700000000, 0.0000919100000000 ] - [ 0.0000117000000000, -0.0000262600000000, -0.0001278000000000 ] - [ 0.0002041400000000, -0.0004180000000000, 0.0001259400000000 ] - [ 0.0003859700000000, 0.0019110500000000, -0.0010240900000000 ] - [ -0.0020767500000000, 0.0008763900000000, -0.0004597000000000 ] - [ 0.0059851700000000, 0.0061205200000000, 0.0013484000000000 ] - [ 0.0000158000000000, -0.0001955300000000, 0.0000985200000000 ] - [ 0.0001898800000000, 0.0000341400000000, 0.0002413300000000 ] - [ 0.0000270900000000, 0.0002491600000000, -0.0001078400000000 ] - [ 0.0000096100000000, 0.0002948500000000, 0.0001771000000000 ] - [ 0.0005485500000000, -0.0001993400000000, -0.0000392300000000 ] - [ -0.0002988700000000, 0.0003614200000000, -0.0000573400000000 ] - [ -0.0000398300000000, -0.0002370300000000, -0.0001678500000000 ] - [ 0.0029445300000000, -0.0000654100000000, -0.0000335800000000 ] - [ 0.0025334600000000, -0.0066763200000000, -0.0043233300000000 ] - [ 0.0001441000000000, -0.0002714000000000, 0.0001412100000000 ] - [ 0.0009289500000000, 0.0004606300000000, 0.0023642200000000 ] - [ 0.0000724300000000, -0.0002914300000000, 0.0000964500000000 ] - [ -0.0007466800000000, 0.0005002600000000, 0.0003073200000000 ] - [ 0.0003887300000000, 0.0001356100000000, -0.0001522000000000 ] - [ 0.0000330100000000, -0.0001267000000000, 0.0000804500000000 ] - [ 0.0000179100000000, -0.0001384000000000, 0.0000707200000000 ] - [ 0.0012334900000000, 0.0000212000000000, -0.0002035900000000 ] - [ -0.0001091600000000, -0.0001108400000000, -0.0000235700000000 ] - [ -0.0001908200000000, 0.0001675500000000, 0.0000842700000000 ] - [ -0.0000002500000000, 0.0000604400000000, 0.0000735100000000 ] - [ 0.0000145900000000, 0.0000779000000000, 0.0000771900000000 ] - [ -0.0005511300000000, -0.0000759600000000, -0.0002344800000000 ] - [ 0.0010406000000000, -0.0004562900000000, 0.0001161900000000 ] - [ -0.0000551800000000, 0.0000912500000000, -0.0000801100000000 ] - [ 0.0002311600000000, -0.0003604900000000, -0.0002790500000000 ] - [ -0.0002506000000000, -0.0000102900000000, -0.0000407800000000 ] - [ 0.0005702800000000, 0.0001907500000000, 0.0003353400000000 ] - [ 0.0000948100000000, 0.0001346800000000, -0.0002316800000000 ] - [ 0.0003004000000000, 0.0004110900000000, -0.0000892500000000 ] - [ -0.0000408900000000, -0.0002678100000000, 0.0000991700000000 ] - [ -0.0003679500000000, -0.0001258500000000, 0.0000461300000000 ] - [ 0.0015296800000000, -0.0003909700000000, -0.0002422500000000 ] - [ 0.0020466200000000, 0.0025108300000000, 0.0020486400000000 ] - [ 0.0001233000000000, 0.0000672200000000, 0.0000255100000000 ] - [ -0.0012177400000000, 0.0005779400000000, -0.0000325800000000 ] - [ -0.0004045300000000, -0.0000158500000000, 0.0001697100000000 ] - [ -0.0003132900000000, -0.0002456100000000, -0.0001861000000000 ] - [ 0.0003175500000000, -0.0011260700000000, -0.0003574600000000 ] - [ 0.0001511800000000, -0.0002635400000000, -0.0001817300000000 ] - [ -0.0000395900000000, -0.0003242700000000, 0.0001549200000000 ] - [ 0.0003138900000000, 0.0000812900000000, 0.0001579200000000 ] - [ 0.0001055600000000, 0.0001565900000000, 0.0000126000000000 ] - [ -0.0009025000000000, -0.0005091900000000, -0.0000699300000000 ] - [ -0.0000291000000000, 0.0000889000000000, -0.0000772200000000 ] - [ 0.0000173600000000, -0.0001046200000000, -0.0000821100000000 ] - [ 0.0000974800000000, -0.0003058000000000, -0.0001430500000000 ] - [ -0.0006496100000000, 0.0009872900000000, 0.0005679700000000 ] - [ 0.0036334500000000, -0.0013062600000000, 0.0017942300000000 ] - [ -0.0000535500000000, 0.0000380500000000, 0.0001508700000000 ] - [ 0.0000849200000000, 0.0000415800000000, -0.0000179300000000 ] - [ -0.0005072000000000, 0.0013449600000000, 0.0001394300000000 ] - [ 0.0000198000000000, -0.0001201700000000, -0.0000668600000000 ] - [ -0.0009621900000000, -0.0004494600000000, -0.0000418800000000 ] - [ 0.0000553400000000, 0.0000077900000000, 0.0000224500000000 ] - [ 0.0060748400000000, 0.0022884400000000, 0.0000385800000000 ] - [ -0.0001531200000000, 0.0001044000000000, 0.0002099300000000 ] - [ -0.0011713600000000, 0.0001591400000000, -0.0001645300000000 ] - [ 0.0002955400000000, -0.0000559400000000, -0.0002894500000000 ] - [ 0.0020710900000000, -0.0017847800000000, -0.0030416900000000 ] - [ -0.0000898800000000, -0.0000750900000000, -0.0000179000000000 ] - [ 0.0021579800000000, 0.0017069800000000, -0.0015443200000000 ] - [ -0.0000931700000000, -0.0002117900000000, -0.0000361600000000 ] - [ -0.0001152700000000, -0.0000518600000000, 0.0000252000000000 ]- atom: 4 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016185400000000, 0.0008015200000000, -0.0007698000000000 ] - [ -0.0014644000000000, 0.0024914400000000, 0.0002111300000000 ] - [ -0.0001245600000000, -0.0003138000000000, 0.0000988500000000 ] - [ 0.0318314600000000, 0.0020990200000000, -0.0017841700000000 ] - [ -0.0010358100000000, -0.0010416100000000, -0.0001437800000000 ] - [ 0.0000770500000000, 0.0001487700000000, 0.0000492800000000 ] - [ 0.0001099100000000, 0.0003272100000000, -0.0000844200000000 ] - [ 0.0000960300000000, 0.0000170700000000, -0.0001174300000000 ] - [ 0.0000708700000000, -0.0000145400000000, 0.0001872400000000 ] - [ 0.0002151700000000, -0.0003735200000000, -0.0001251200000000 ] - [ -0.0003213800000000, 0.0002473900000000, 0.0001916800000000 ] - [ 0.0000920000000000, -0.0003527300000000, -0.0001936200000000 ] - [ 0.0011758200000000, 0.0007470000000000, -0.0001434400000000 ] - [ 0.0000905100000000, -0.0006001200000000, 0.0000385400000000 ] - [ 0.0001280700000000, -0.0000785500000000, -0.0001735200000000 ] - [ -0.0000485200000000, -0.0000156100000000, -0.0001730700000000 ] - [ -0.0009977800000000, -0.0008110100000000, 0.0002063000000000 ] - [ -0.0000088200000000, -0.0000935400000000, 0.0001305700000000 ] - [ -0.0033475600000000, -0.0000777900000000, 0.0004685000000000 ] - [ -0.0001324200000000, 0.0000007400000000, 0.0001720600000000 ] - [ -0.0008583800000000, 0.0001713100000000, -0.0001598700000000 ] - [ -0.0000604300000000, 0.0011902300000000, 0.0001943100000000 ] - [ -0.0018984500000000, 0.0005982400000000, -0.0006038700000000 ] - [ -0.0000756800000000, 0.0002358500000000, 0.0001873300000000 ] - [ -0.0001824000000000, -0.0001822100000000, -0.0000613200000000 ] - [ 0.0001047100000000, 0.0004132500000000, 0.0001157100000000 ] - [ -0.0002196600000000, -0.0021038800000000, 0.0008221400000000 ] - [ 0.0022862200000000, -0.0008343200000000, 0.0000990900000000 ] - [ -0.0060798900000000, -0.0057026800000000, -0.0010941600000000 ] - [ -0.0000414000000000, -0.0002910800000000, 0.0001536200000000 ] - [ -0.0000402500000000, -0.0000337100000000, -0.0000914500000000 ] - [ -0.0000011400000000, 0.0002338500000000, -0.0001438300000000 ] - [ 0.0000152100000000, 0.0001886200000000, 0.0000841100000000 ] - [ -0.0003929200000000, 0.0001942800000000, -0.0000997200000000 ] - [ 0.0001476600000000, -0.0003634900000000, -0.0000921600000000 ] - [ 0.0000138500000000, -0.0002477500000000, -0.0000931200000000 ] - [ -0.0029194200000000, -0.0004037100000000, -0.0002115100000000 ] - [ -0.0025443600000000, 0.0070885300000000, 0.0040139100000000 ] - [ -0.0002947100000000, 0.0002682600000000, 0.0000087000000000 ] - [ -0.0009194700000000, -0.0009425400000000, -0.0021079700000000 ] - [ -0.0007882100000000, 0.0005125400000000, -0.0004636600000000 ] - [ 0.0000303600000000, -0.0002783200000000, 0.0000587700000000 ] - [ 0.0003258300000000, 0.0000919800000000, -0.0002144100000000 ] - [ 0.0000116300000000, -0.0000690400000000, 0.0000799200000000 ] - [ 0.0000141400000000, -0.0000722000000000, 0.0000773400000000 ] - [ -0.0010138900000000, -0.0001645800000000, 0.0002465600000000 ] - [ -0.0001073300000000, -0.0000284400000000, -0.0000214300000000 ] - [ 0.0000882900000000, -0.0001663300000000, 0.0001693400000000 ] - [ -0.0000322000000000, 0.0001539300000000, 0.0000745300000000 ] - [ -0.0000594600000000, 0.0001195500000000, 0.0000830200000000 ] - [ -0.0000704000000000, 0.0000771400000000, -0.0001779000000000 ] - [ -0.0010765500000000, 0.0002492200000000, 0.0000532300000000 ] - [ 0.0000097000000000, 0.0001059700000000, -0.0000805900000000 ] - [ 0.0004813500000000, 0.0001248100000000, -0.0000919500000000 ] - [ 0.0000378500000000, 0.0001487400000000, -0.0000012900000000 ] - [ 0.0000469800000000, -0.0001910400000000, 0.0000759700000000 ] - [ -0.0003566800000000, -0.0001354400000000, -0.0000319300000000 ] - [ -0.0000401200000000, -0.0004136000000000, -0.0001756900000000 ] - [ 0.0007560400000000, 0.0000480200000000, 0.0002670900000000 ] - [ 0.0001054500000000, 0.0001279200000000, 0.0002176000000000 ] - [ -0.0015419300000000, 0.0001595700000000, 0.0004164700000000 ] - [ -0.0022000100000000, -0.0022775900000000, -0.0020109300000000 ] - [ 0.0000940500000000, 0.0000740200000000, 0.0000197200000000 ] - [ 0.0010566800000000, -0.0003807500000000, 0.0000202000000000 ] - [ -0.0003109500000000, -0.0001996900000000, 0.0001958200000000 ] - [ -0.0004022500000000, 0.0000296500000000, -0.0001794400000000 ] - [ -0.0001591700000000, 0.0009368500000000, 0.0003736600000000 ] - [ 0.0004704200000000, 0.0002625500000000, -0.0002318900000000 ] - [ 0.0003040400000000, 0.0003240800000000, 0.0001099600000000 ] - [ 0.0004011800000000, 0.0001366900000000, 0.0002081500000000 ] - [ 0.0000490500000000, 0.0000411900000000, -0.0000288300000000 ] - [ 0.0011237200000000, 0.0003731500000000, 0.0000230000000000 ] - [ -0.0000037900000000, 0.0001253100000000, -0.0000701000000000 ] - [ 0.0000277200000000, -0.0000912100000000, -0.0000780100000000 ] - [ -0.0002008600000000, 0.0003068600000000, -0.0001105600000000 ] - [ 0.0006942900000000, -0.0007836500000000, -0.0007176500000000 ] - [ -0.0038358500000000, 0.0015389900000000, -0.0017804900000000 ] - [ -0.0005680600000000, -0.0000378400000000, 0.0002613100000000 ] - [ 0.0001321600000000, 0.0000998200000000, -0.0000272700000000 ] - [ 0.0006662100000000, -0.0015287300000000, -0.0001539700000000 ] - [ 0.0000126400000000, -0.0000904500000000, -0.0000818300000000 ] - [ 0.0009297600000000, 0.0002335600000000, -0.0001084800000000 ] - [ 0.0000989700000000, 0.0001900600000000, -0.0000057500000000 ] - [ -0.0056603400000000, -0.0020348600000000, -0.0002563700000000 ] - [ 0.0002576200000000, -0.0001054300000000, 0.0000434400000000 ] - [ 0.0011271500000000, -0.0003617200000000, 0.0000004600000000 ] - [ -0.0001928500000000, 0.0000573900000000, 0.0000333900000000 ] - [ -0.0023905700000000, 0.0019654900000000, 0.0032053200000000 ] - [ -0.0000647100000000, -0.0001199100000000, 0.0000009100000000 ] - [ -0.0021775400000000, -0.0015984100000000, 0.0017464200000000 ] - [ -0.0000608900000000, 0.0000175200000000, 0.0000529700000000 ] - [ -0.0001019800000000, -0.0000876700000000, 0.0000201300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006592200000000, 0.0048454300000000, -0.0007173400000000 ] - [ -0.0021539000000000, -0.0005084500000000, 0.0003049200000000 ] - [ -0.0000188400000000, 0.0003904500000000, 0.0001302500000000 ] - [ -0.0021603300000000, -0.0346549500000000, -0.0073954500000000 ] - [ 0.0009088600000000, -0.0009056400000000, -0.0000398700000000 ] - [ -0.0002746900000000, 0.0007562700000000, 0.0002760600000000 ] - [ -0.0001263600000000, 0.0011555900000000, -0.0003861400000000 ] - [ 0.0003950100000000, 0.0007405300000000, -0.0001234300000000 ] - [ 0.0001056600000000, 0.0005997000000000, 0.0000952200000000 ] - [ 0.0002936600000000, 0.0006457400000000, -0.0000896500000000 ] - [ -0.0003668200000000, -0.0001338500000000, 0.0000559800000000 ] - [ -0.0000226600000000, 0.0005184300000000, -0.0001679900000000 ] - [ -0.0007682000000000, -0.0010372500000000, -0.0001819800000000 ] - [ 0.0001261800000000, 0.0010550600000000, 0.0004552100000000 ] - [ 0.0000417200000000, 0.0006662100000000, -0.0001037200000000 ] - [ -0.0001335200000000, 0.0009835100000000, -0.0002270800000000 ] - [ 0.0007806800000000, 0.0007889400000000, -0.0003333100000000 ] - [ -0.0001512300000000, 0.0006940100000000, 0.0001296200000000 ] - [ -0.0000380000000000, -0.0009922100000000, 0.0004100500000000 ] - [ -0.0001180700000000, 0.0005635300000000, 0.0002636400000000 ] - [ -0.0000622300000000, 0.0005358300000000, 0.0003365400000000 ] - [ -0.0006348400000000, 0.0011156300000000, 0.0006867100000000 ] - [ -0.0004809900000000, -0.0009915500000000, 0.0001042400000000 ] - [ 0.0001488000000000, 0.0008099600000000, 0.0001007200000000 ] - [ -0.0000313600000000, 0.0006261800000000, -0.0000944800000000 ] - [ 0.0000544600000000, 0.0006191400000000, 0.0000726800000000 ] - [ 0.0017266400000000, -0.0003709100000000, -0.0009204700000000 ] - [ 0.0009550600000000, -0.0017199400000000, -0.0000454300000000 ] - [ 0.0049388400000000, -0.0007096900000000, 0.0037934700000000 ] - [ -0.0000218000000000, 0.0004844100000000, 0.0001487500000000 ] - [ 0.0005406700000000, -0.0002641800000000, -0.0003422800000000 ] - [ -0.0000883400000000, 0.0008773900000000, -0.0001010900000000 ] - [ 0.0001147300000000, 0.0010323100000000, 0.0001720100000000 ] - [ -0.0010277100000000, 0.0028672100000000, -0.0024809000000000 ] - [ -0.0001352600000000, 0.0008836400000000, -0.0001628900000000 ] - [ -0.0000359800000000, 0.0004573900000000, -0.0001300400000000 ] - [ -0.0012884200000000, -0.0017656700000000, -0.0002146300000000 ] - [ -0.0063317000000000, -0.0011879500000000, 0.0003113100000000 ] - [ 0.0000046200000000, 0.0005706800000000, 0.0002576000000000 ] - [ 0.0014915000000000, -0.0061511200000000, 0.0007878600000000 ] - [ -0.0003127400000000, -0.0005497900000000, -0.0001272200000000 ] - [ -0.0004143000000000, -0.0001397800000000, 0.0001667100000000 ] - [ 0.0005007600000000, -0.0018608900000000, -0.0000343100000000 ] - [ 0.0000648300000000, -0.0005241300000000, 0.0001150800000000 ] - [ 0.0001121200000000, -0.0008018500000000, -0.0000204600000000 ] - [ 0.0012115200000000, 0.0046623700000000, 0.0027102700000000 ] - [ -0.0002764700000000, -0.0004818500000000, -0.0000617800000000 ] - [ -0.0000114300000000, -0.0004288700000000, 0.0001427200000000 ] - [ 0.0000121800000000, -0.0006225900000000, 0.0001619300000000 ] - [ -0.0000378700000000, -0.0003034700000000, 0.0000310300000000 ] - [ -0.0003305800000000, -0.0003991000000000, -0.0001624500000000 ] - [ -0.0004724300000000, 0.0023703900000000, -0.0019447300000000 ] - [ 0.0000546300000000, -0.0002416200000000, -0.0000371100000000 ] - [ 0.0001672000000000, 0.0049332400000000, -0.0000166500000000 ] - [ -0.0008338300000000, 0.0015176500000000, -0.0002546900000000 ] - [ 0.0012815800000000, -0.0005651700000000, 0.0009064300000000 ] - [ -0.0000449300000000, -0.0009728900000000, -0.0002783000000000 ] - [ 0.0005990500000000, -0.0001713200000000, -0.0004130100000000 ] - [ 0.0003839300000000, 0.0004304600000000, 0.0001595400000000 ] - [ -0.0001979000000000, -0.0004858800000000, 0.0000564800000000 ] - [ -0.0001181000000000, 0.0046452900000000, -0.0002773800000000 ] - [ 0.0030472300000000, 0.0072911100000000, 0.0056030300000000 ] - [ 0.0000099800000000, -0.0004193900000000, 0.0000185900000000 ] - [ 0.0002644000000000, 0.0007195600000000, -0.0003055200000000 ] - [ -0.0003253000000000, -0.0006578100000000, 0.0001827100000000 ] - [ -0.0003417200000000, -0.0007769700000000, -0.0001886600000000 ] - [ -0.0003534400000000, 0.0000737800000000, -0.0006610100000000 ] - [ -0.0002784800000000, -0.0000628500000000, -0.0000082700000000 ] - [ -0.0003609400000000, -0.0000952700000000, 0.0001773300000000 ] - [ 0.0003796300000000, -0.0001759700000000, 0.0001999800000000 ] - [ 0.0001240600000000, -0.0005101600000000, -0.0000237700000000 ] - [ -0.0006898700000000, 0.0004360400000000, -0.0005447100000000 ] - [ 0.0000423500000000, -0.0005096800000000, -0.0001577000000000 ] - [ 0.0000560500000000, -0.0004759300000000, -0.0001199300000000 ] - [ -0.0001194300000000, -0.0006866000000000, -0.0001055000000000 ] - [ 0.0011902500000000, 0.0004666800000000, -0.0001837800000000 ] - [ -0.0012484600000000, 0.0032357100000000, -0.0009911200000000 ] - [ -0.0002711500000000, -0.0005817700000000, 0.0002202100000000 ] - [ 0.0000189100000000, -0.0003521600000000, -0.0000084400000000 ] - [ 0.0009404000000000, -0.0001035900000000, 0.0003073600000000 ] - [ 0.0000239300000000, -0.0007620300000000, 0.0000234300000000 ] - [ 0.0000565500000000, 0.0014910100000000, -0.0001927900000000 ] - [ 0.0000929600000000, -0.0005205800000000, 0.0000313900000000 ] - [ 0.0014163000000000, 0.0033850800000000, 0.0000780300000000 ] - [ -0.0000386800000000, -0.0000566900000000, 0.0001785200000000 ] - [ 0.0003994200000000, 0.0005688100000000, 0.0001271600000000 ] - [ 0.0002280300000000, -0.0006468800000000, 0.0006860100000000 ] - [ -0.0020832800000000, 0.0024037500000000, 0.0027132100000000 ] - [ 0.0000073500000000, -0.0005683100000000, 0.0000106900000000 ] - [ 0.0012715500000000, 0.0052831800000000, -0.0024676900000000 ] - [ -0.0001727600000000, -0.0007972600000000, -0.0000696200000000 ] - [ -0.0001197100000000, -0.0004948300000000, 0.0000140800000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006097800000000, -0.0043015400000000, 0.0004437000000000 ] - [ 0.0023042300000000, 0.0002954500000000, -0.0001111200000000 ] - [ -0.0000350400000000, -0.0009958600000000, 0.0001474800000000 ] - [ 0.0020386800000000, 0.0345730800000000, 0.0069205600000000 ] - [ -0.0008584300000000, 0.0002943600000000, 0.0003193400000000 ] - [ 0.0004450600000000, -0.0005478000000000, -0.0000862500000000 ] - [ 0.0001800100000000, -0.0005447200000000, 0.0001066900000000 ] - [ -0.0002233000000000, -0.0005320000000000, -0.0000648900000000 ] - [ 0.0000911500000000, -0.0006393100000000, 0.0002617100000000 ] - [ 0.0000150200000000, -0.0006450200000000, -0.0001527500000000 ] - [ 0.0000553000000000, 0.0001305200000000, 0.0001848600000000 ] - [ -0.0000315800000000, -0.0011245000000000, -0.0001095600000000 ] - [ 0.0008197500000000, 0.0004178400000000, -0.0001040200000000 ] - [ -0.0004305900000000, -0.0010560300000000, -0.0006930100000000 ] - [ 0.0001550200000000, -0.0007057700000000, -0.0002529400000000 ] - [ -0.0000637100000000, -0.0009416300000000, -0.0001302300000000 ] - [ -0.0009515600000000, -0.0005839200000000, 0.0001471800000000 ] - [ -0.0000193900000000, -0.0008999200000000, 0.0000585200000000 ] - [ -0.0001572900000000, 0.0009534600000000, -0.0000501000000000 ] - [ -0.0000788700000000, -0.0005220800000000, 0.0000934700000000 ] - [ 0.0000085900000000, 0.0000710900000000, -0.0000598500000000 ] - [ 0.0004622500000000, -0.0009057500000000, -0.0005023500000000 ] - [ 0.0006760700000000, 0.0010373900000000, 0.0002509500000000 ] - [ -0.0000944000000000, -0.0002021900000000, 0.0001775900000000 ] - [ -0.0001396300000000, -0.0008314900000000, -0.0000939500000000 ] - [ 0.0002549400000000, -0.0006198900000000, 0.0001697500000000 ] - [ -0.0015445900000000, 0.0001597600000000, 0.0007181100000000 ] - [ -0.0007564500000000, 0.0017699300000000, -0.0003119600000000 ] - [ -0.0049905100000000, 0.0012162400000000, -0.0035464600000000 ] - [ -0.0000046100000000, -0.0009692600000000, 0.0001045400000000 ] - [ -0.0003862600000000, 0.0002592000000000, 0.0004893200000000 ] - [ 0.0001142400000000, -0.0003898100000000, -0.0001521600000000 ] - [ -0.0000880900000000, -0.0005441400000000, 0.0000910400000000 ] - [ 0.0011800700000000, -0.0028357700000000, 0.0023323500000000 ] - [ -0.0000180300000000, -0.0008805300000000, 0.0000150700000000 ] - [ 0.0000098200000000, -0.0009417100000000, -0.0001327700000000 ] - [ 0.0013251000000000, 0.0012926400000000, -0.0000489100000000 ] - [ 0.0063360800000000, 0.0016993100000000, -0.0005713900000000 ] - [ -0.0001566200000000, -0.0005688900000000, -0.0001092600000000 ] - [ -0.0014762300000000, 0.0056739700000000, -0.0005393500000000 ] - [ -0.0004016000000000, 0.0007663200000000, -0.0002393000000000 ] - [ -0.0003021100000000, 0.0003578500000000, 0.0001989400000000 ] - [ 0.0002148900000000, 0.0020813200000000, -0.0003315300000000 ] - [ -0.0000193700000000, 0.0003275900000000, 0.0000459000000000 ] - [ -0.0000793900000000, 0.0005882400000000, 0.0001679000000000 ] - [ -0.0009671700000000, -0.0049679000000000, -0.0028232300000000 ] - [ 0.0000595600000000, 0.0003415200000000, 0.0000166700000000 ] - [ -0.0000916900000000, 0.0004283400000000, 0.0001117000000000 ] - [ -0.0000445900000000, 0.0008353500000000, -0.0000138800000000 ] - [ -0.0000074800000000, 0.0004994200000000, 0.0001294000000000 ] - [ -0.0002906600000000, 0.0003986100000000, -0.0002499800000000 ] - [ 0.0004315300000000, -0.0025784800000000, 0.0020870400000000 ] - [ -0.0000998400000000, 0.0004379800000000, -0.0001237800000000 ] - [ 0.0005064500000000, -0.0048829700000000, -0.0004178600000000 ] - [ 0.0006168900000000, -0.0013759500000000, 0.0002066100000000 ] - [ -0.0006521600000000, 0.0005603000000000, -0.0004863100000000 ] - [ -0.0002174200000000, 0.0009747000000000, 0.0000174500000000 ] - [ -0.0003348500000000, 0.0001723900000000, 0.0001447800000000 ] - [ 0.0003321300000000, -0.0006435300000000, 0.0002060200000000 ] - [ -0.0000640600000000, 0.0004853800000000, 0.0002073700000000 ] - [ 0.0001045800000000, -0.0048938200000000, 0.0004818700000000 ] - [ -0.0030942700000000, -0.0069331700000000, -0.0054005100000000 ] - [ 0.0002063900000000, 0.0005596200000000, 0.0000264500000000 ] - [ -0.0004249800000000, -0.0005185000000000, 0.0002929300000000 ] - [ -0.0003905200000000, 0.0004391000000000, 0.0001829300000000 ] - [ -0.0003738000000000, 0.0005577900000000, -0.0001767900000000 ] - [ 0.0005098200000000, -0.0002721100000000, 0.0006791300000000 ] - [ 0.0008936900000000, 0.0000648000000000, -0.0004041800000000 ] - [ 0.0006213600000000, 0.0001000800000000, 0.0000893100000000 ] - [ 0.0003366000000000, 0.0003949300000000, 0.0001660100000000 ] - [ 0.0000304900000000, 0.0007061100000000, 0.0000078000000000 ] - [ 0.0009120100000000, -0.0005782900000000, 0.0005030800000000 ] - [ -0.0000749400000000, 0.0007226700000000, 0.0000103300000000 ] - [ -0.0000108100000000, 0.0002794100000000, -0.0000407400000000 ] - [ 0.0000169200000000, 0.0006869400000000, -0.0001498200000000 ] - [ -0.0011500400000000, -0.0002717400000000, 0.0000252200000000 ] - [ 0.0012784000000000, -0.0030280600000000, 0.0011432400000000 ] - [ -0.0003498100000000, 0.0005816300000000, 0.0001912300000000 ] - [ 0.0001974500000000, 0.0004924500000000, -0.0000365800000000 ] - [ -0.0007941200000000, -0.0000910600000000, -0.0003235600000000 ] - [ 0.0000084300000000, 0.0005485700000000, -0.0001714000000000 ] - [ -0.0000884700000000, -0.0017074100000000, 0.0000426900000000 ] - [ 0.0000617700000000, 0.0007165300000000, -0.0000149700000000 ] - [ -0.0013872700000000, -0.0031851400000000, -0.0002231700000000 ] - [ 0.0001424200000000, 0.0000584000000000, 0.0000757200000000 ] - [ -0.0004456800000000, -0.0007638000000000, -0.0002872600000000 ] - [ -0.0001237500000000, 0.0006417600000000, -0.0009288800000000 ] - [ 0.0018335600000000, -0.0022792700000000, -0.0026420800000000 ] - [ -0.0001613600000000, 0.0003719800000000, -0.0000269500000000 ] - [ -0.0013695100000000, -0.0052751000000000, 0.0027291500000000 ] - [ 0.0000171900000000, 0.0005993500000000, 0.0000857200000000 ] - [ -0.0000967800000000, 0.0003541500000000, 0.0000312100000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005033300000000, 0.0002555100000000, -0.0016365700000000 ] - [ 0.0000375300000000, 0.0001661500000000, -0.0010439600000000 ] - [ -0.0000428000000000, -0.0002247200000000, 0.0001391200000000 ] - [ 0.0015492800000000, -0.0072301500000000, -0.0276008000000000 ] - [ 0.0005468700000000, -0.0003923700000000, -0.0001434100000000 ] - [ 0.0001310000000000, 0.0002020100000000, 0.0000358200000000 ] - [ 0.0000534900000000, 0.0003989900000000, -0.0000817900000000 ] - [ 0.0000258200000000, 0.0002021000000000, -0.0000622100000000 ] - [ 0.0000898300000000, 0.0000629500000000, 0.0001649100000000 ] - [ 0.0002378600000000, 0.0001536600000000, -0.0001002300000000 ] - [ -0.0000954600000000, 0.0002067300000000, 0.0001840600000000 ] - [ 0.0000248300000000, -0.0001874600000000, -0.0001900300000000 ] - [ 0.0006263600000000, -0.0003892000000000, 0.0013434800000000 ] - [ -0.0003821600000000, 0.0006859300000000, -0.0004346300000000 ] - [ 0.0001035900000000, 0.0000541000000000, -0.0001605600000000 ] - [ -0.0001040300000000, 0.0000673700000000, -0.0002183900000000 ] - [ -0.0003847300000000, -0.0001747000000000, -0.0000321500000000 ] - [ -0.0000980200000000, 0.0000141100000000, 0.0001398900000000 ] - [ 0.0001947100000000, -0.0002501500000000, 0.0007694600000000 ] - [ -0.0001046800000000, 0.0001049900000000, 0.0001908500000000 ] - [ -0.0000844000000000, 0.0002621600000000, 0.0002071100000000 ] - [ -0.0003059200000000, -0.0001174500000000, 0.0013312200000000 ] - [ 0.0008908400000000, -0.0000540700000000, -0.0004292000000000 ] - [ 0.0000240400000000, 0.0004309000000000, 0.0001074900000000 ] - [ -0.0000995000000000, -0.0000424200000000, -0.0000906300000000 ] - [ 0.0001048000000000, 0.0001770200000000, 0.0000997800000000 ] - [ -0.0011076700000000, -0.0014237200000000, 0.0005481300000000 ] - [ 0.0003670600000000, -0.0001232800000000, 0.0035264800000000 ] - [ 0.0006934000000000, 0.0031119200000000, -0.0030256900000000 ] - [ -0.0000136500000000, -0.0001654200000000, 0.0001207900000000 ] - [ 0.0000490200000000, 0.0001263900000000, -0.0000598900000000 ] - [ 0.0000140900000000, 0.0003342200000000, -0.0001334400000000 ] - [ -0.0000036600000000, 0.0003336000000000, 0.0001705300000000 ] - [ 0.0001293200000000, -0.0004777200000000, 0.0007222300000000 ] - [ -0.0000075700000000, 0.0000355500000000, -0.0000880900000000 ] - [ -0.0000282100000000, -0.0001448900000000, -0.0001211900000000 ] - [ -0.0029664200000000, -0.0013728800000000, 0.0001932500000000 ] - [ -0.0048235900000000, 0.0015292100000000, 0.0000992600000000 ] - [ -0.0001169800000000, 0.0001037500000000, 0.0001730100000000 ] - [ -0.0006706000000000, 0.0024040100000000, 0.0077335000000000 ] - [ -0.0002809000000000, 0.0001256600000000, -0.0002507000000000 ] - [ -0.0002384300000000, 0.0000600200000000, 0.0001171000000000 ] - [ 0.0004092000000000, 0.0002885500000000, -0.0001575400000000 ] - [ 0.0000118300000000, -0.0001375900000000, 0.0000878500000000 ] - [ 0.0000154600000000, -0.0001843800000000, 0.0000639600000000 ] - [ 0.0011413500000000, 0.0024619100000000, 0.0027126000000000 ] - [ -0.0001121800000000, -0.0001300000000000, -0.0000215800000000 ] - [ -0.0000740600000000, -0.0000756900000000, 0.0001517400000000 ] - [ -0.0000084000000000, 0.0000116100000000, 0.0000802300000000 ] - [ -0.0000142800000000, 0.0000561800000000, 0.0000718700000000 ] - [ -0.0002461700000000, -0.0000147600000000, -0.0002474100000000 ] - [ 0.0010173600000000, -0.0024576700000000, 0.0020348700000000 ] - [ -0.0000201400000000, 0.0000480200000000, -0.0000732000000000 ] - [ 0.0002312300000000, 0.0003565500000000, -0.0011180800000000 ] - [ -0.0001512600000000, -0.0001186900000000, -0.0012111800000000 ] - [ 0.0002012200000000, -0.0000042600000000, 0.0001383800000000 ] - [ -0.0001100000000000, -0.0003094000000000, -0.0001127000000000 ] - [ 0.0001706500000000, -0.0002126400000000, -0.0001641400000000 ] - [ 0.0005117300000000, -0.0001523200000000, 0.0002471100000000 ] - [ -0.0000980100000000, -0.0000250800000000, 0.0001885200000000 ] - [ -0.0000941400000000, -0.0012286200000000, -0.0000675300000000 ] - [ 0.0026504100000000, 0.0051369200000000, 0.0029219900000000 ] - [ 0.0000989800000000, 0.0000027000000000, 0.0000234000000000 ] - [ 0.0006203900000000, -0.0000725700000000, -0.0006465000000000 ] - [ -0.0003376800000000, -0.0001759800000000, 0.0001815800000000 ] - [ -0.0003669500000000, -0.0001674400000000, -0.0002028700000000 ] - [ -0.0000969600000000, -0.0004027700000000, 0.0003529300000000 ] - [ 0.0004046600000000, -0.0000499700000000, -0.0000863900000000 ] - [ 0.0000784700000000, -0.0001767100000000, -0.0000937500000000 ] - [ 0.0003575000000000, 0.0000338200000000, 0.0001773700000000 ] - [ 0.0000848600000000, 0.0000030700000000, -0.0000076500000000 ] - [ 0.0002037400000000, -0.0004071000000000, 0.0005511800000000 ] - [ -0.0000105600000000, 0.0000228000000000, -0.0000860900000000 ] - [ 0.0000374000000000, -0.0001493600000000, -0.0000862100000000 ] - [ -0.0001390200000000, 0.0000562500000000, -0.0001497100000000 ] - [ 0.0005449300000000, -0.0000519500000000, -0.0006988800000000 ] - [ 0.0021249900000000, -0.0006806600000000, 0.0030192900000000 ] - [ -0.0003556800000000, -0.0000729200000000, 0.0002176000000000 ] - [ 0.0000939100000000, 0.0000235200000000, -0.0000195000000000 ] - [ 0.0004249500000000, -0.0003325900000000, 0.0004649000000000 ] - [ 0.0000286500000000, -0.0001948000000000, -0.0000615600000000 ] - [ 0.0004200700000000, 0.0005783900000000, -0.0006189200000000 ] - [ 0.0000722100000000, 0.0000227300000000, 0.0000140800000000 ] - [ 0.0000453500000000, 0.0002413600000000, 0.0014461100000000 ] - [ 0.0000015500000000, -0.0001664300000000, 0.0001202700000000 ] - [ 0.0005651900000000, -0.0001866500000000, 0.0005405100000000 ] - [ -0.0000332700000000, 0.0000675300000000, -0.0001658800000000 ] - [ -0.0030854100000000, 0.0029229000000000, 0.0048850100000000 ] - [ -0.0000798700000000, -0.0001932600000000, -0.0000109600000000 ] - [ -0.0013429300000000, -0.0022662300000000, 0.0032016800000000 ] - [ -0.0001005000000000, -0.0002452700000000, -0.0000255600000000 ] - [ -0.0001284300000000, -0.0001294600000000, 0.0000248800000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005617900000000, 0.0003589300000000, 0.0013581500000000 ] - [ 0.0001409100000000, -0.0003720400000000, 0.0012269700000000 ] - [ -0.0000110100000000, -0.0003827200000000, 0.0001392500000000 ] - [ -0.0016838900000000, 0.0070848300000000, 0.0272177900000000 ] - [ -0.0004944400000000, -0.0002099000000000, 0.0004208600000000 ] - [ 0.0000415600000000, 0.0000048400000000, 0.0001515300000000 ] - [ 0.0000014100000000, 0.0002082600000000, -0.0001955300000000 ] - [ 0.0001436700000000, 0.0000052700000000, -0.0001261800000000 ] - [ 0.0001068100000000, -0.0001035100000000, 0.0001920800000000 ] - [ 0.0000712300000000, -0.0001546300000000, -0.0001421500000000 ] - [ -0.0002136800000000, -0.0002056000000000, 0.0000586200000000 ] - [ -0.0000791300000000, -0.0004206400000000, -0.0000885000000000 ] - [ -0.0005802200000000, -0.0002101000000000, -0.0016219900000000 ] - [ 0.0000726900000000, -0.0006828500000000, 0.0001913000000000 ] - [ 0.0000933900000000, -0.0000949800000000, -0.0001963900000000 ] - [ -0.0000928100000000, -0.0000297800000000, -0.0001389500000000 ] - [ 0.0002173200000000, 0.0003827800000000, -0.0001559300000000 ] - [ -0.0000725900000000, -0.0002217400000000, 0.0000483500000000 ] - [ -0.0003895800000000, 0.0002099800000000, -0.0004096900000000 ] - [ -0.0000919600000000, -0.0000653100000000, 0.0001659700000000 ] - [ 0.0000306600000000, 0.0003438500000000, 0.0000717900000000 ] - [ 0.0001353600000000, 0.0003214900000000, -0.0011428900000000 ] - [ -0.0006877200000000, 0.0000925100000000, 0.0007816700000000 ] - [ 0.0000300000000000, 0.0001769800000000, 0.0001713400000000 ] - [ -0.0000710900000000, -0.0001646300000000, -0.0000980700000000 ] - [ 0.0002049800000000, -0.0001783000000000, 0.0001423500000000 ] - [ 0.0012868900000000, 0.0012300300000000, -0.0007341600000000 ] - [ -0.0001921500000000, 0.0001429800000000, -0.0038826600000000 ] - [ -0.0007001600000000, -0.0026139000000000, 0.0033013100000000 ] - [ -0.0000122100000000, -0.0003202200000000, 0.0001313500000000 ] - [ 0.0001019400000000, -0.0001251900000000, 0.0002087300000000 ] - [ 0.0000121500000000, 0.0001508400000000, -0.0001188600000000 ] - [ 0.0000291200000000, 0.0001521400000000, 0.0000911200000000 ] - [ 0.0000272100000000, 0.0004730500000000, -0.0008564700000000 ] - [ -0.0001438700000000, -0.0000354600000000, -0.0000614700000000 ] - [ 0.0000021100000000, -0.0003395100000000, -0.0001405500000000 ] - [ 0.0029861100000000, 0.0008903600000000, -0.0004404400000000 ] - [ 0.0048183700000000, -0.0010339700000000, -0.0003345900000000 ] - [ -0.0000335700000000, -0.0001046600000000, -0.0000239400000000 ] - [ 0.0007249400000000, -0.0028741400000000, -0.0074708800000000 ] - [ -0.0004331300000000, 0.0000945700000000, -0.0001137000000000 ] - [ -0.0004784100000000, 0.0001606300000000, 0.0002482200000000 ] - [ 0.0003062500000000, -0.0000602300000000, -0.0002090600000000 ] - [ 0.0000339400000000, -0.0000583000000000, 0.0000736200000000 ] - [ 0.0000169400000000, -0.0000288100000000, 0.0000831400000000 ] - [ -0.0009070600000000, -0.0027134200000000, -0.0027629600000000 ] - [ -0.0001032800000000, -0.0000104300000000, -0.0000232600000000 ] - [ -0.0000298600000000, 0.0000761900000000, 0.0001027100000000 ] - [ -0.0000239700000000, 0.0002030400000000, 0.0000671400000000 ] - [ -0.0000310200000000, 0.0001399900000000, 0.0000892300000000 ] - [ -0.0003740100000000, 0.0000149200000000, -0.0001653300000000 ] - [ -0.0010326600000000, 0.0023224300000000, -0.0021099700000000 ] - [ -0.0000258100000000, 0.0001482100000000, -0.0000886300000000 ] - [ 0.0004817000000000, -0.0005835400000000, 0.0007420600000000 ] - [ -0.0000717200000000, 0.0002568600000000, 0.0011664900000000 ] - [ 0.0004156700000000, 0.0000035300000000, 0.0002720300000000 ] - [ -0.0001514100000000, 0.0003108300000000, -0.0001517800000000 ] - [ 0.0000911000000000, 0.0002087800000000, -0.0000995100000000 ] - [ 0.0002031600000000, -0.0000667100000000, 0.0001182700000000 ] - [ -0.0001636500000000, 0.0000254600000000, 0.0000751600000000 ] - [ 0.0001040700000000, 0.0009510800000000, 0.0003324400000000 ] - [ -0.0027280800000000, -0.0047881700000000, -0.0027935700000000 ] - [ 0.0001170900000000, 0.0001384300000000, 0.0000213100000000 ] - [ -0.0007836000000000, 0.0002708600000000, 0.0006291100000000 ] - [ -0.0003783000000000, -0.0000419000000000, 0.0001839200000000 ] - [ -0.0003488900000000, -0.0000504800000000, -0.0001626800000000 ] - [ 0.0002529100000000, 0.0002064100000000, -0.0003380700000000 ] - [ 0.0002157500000000, 0.0000478300000000, -0.0003269400000000 ] - [ 0.0001851600000000, 0.0001756500000000, 0.0003584100000000 ] - [ 0.0003582000000000, 0.0001848200000000, 0.0001882900000000 ] - [ 0.0000700000000000, 0.0001938800000000, -0.0000082000000000 ] - [ 0.0000128500000000, 0.0002673800000000, -0.0005967500000000 ] - [ -0.0000221900000000, 0.0001916800000000, -0.0000608500000000 ] - [ 0.0000084500000000, -0.0000466300000000, -0.0000752000000000 ] - [ 0.0000352000000000, -0.0000565400000000, -0.0001054100000000 ] - [ -0.0005002500000000, 0.0002469700000000, 0.0005357600000000 ] - [ -0.0021917300000000, 0.0008998400000000, -0.0029227000000000 ] - [ -0.0002641700000000, 0.0000736400000000, 0.0001946200000000 ] - [ 0.0001220000000000, 0.0001175200000000, -0.0000255300000000 ] - [ -0.0002730600000000, 0.0001349000000000, -0.0004813600000000 ] - [ 0.0000040600000000, -0.0000184900000000, -0.0000864300000000 ] - [ -0.0004510200000000, -0.0007901100000000, 0.0004684600000000 ] - [ 0.0000826700000000, 0.0001743700000000, 0.0000019200000000 ] - [ -0.0000021800000000, -0.0000297100000000, -0.0016058200000000 ] - [ 0.0001025300000000, 0.0001654800000000, 0.0001343400000000 ] - [ -0.0006073800000000, -0.0000127700000000, -0.0007008000000000 ] - [ 0.0001368600000000, -0.0000693700000000, -0.0000927100000000 ] - [ 0.0027176100000000, -0.0027172500000000, -0.0047038800000000 ] - [ -0.0000748000000000, -0.0000031000000000, -0.0000055100000000 ] - [ 0.0013522100000000, 0.0024167600000000, -0.0030218600000000 ] - [ -0.0000540900000000, 0.0000488400000000, 0.0000414700000000 ] - [ -0.0000876200000000, -0.0000111800000000, 0.0000200900000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005244400000000, 0.0037324000000000, 0.0029207400000000 ] - [ 0.0000467900000000, -0.0001475600000000, 0.0000924200000000 ] - [ 0.0039102300000000, 0.0031697800000000, 0.0006120300000000 ] - [ -0.0001598500000000, 0.0001195400000000, -0.0000949900000000 ] - [ 0.0000820600000000, -0.0003072100000000, 0.0001204700000000 ] - [ 0.0000467900000000, 0.0001475600000000, 0.0000924200000000 ] - [ -0.0000339300000000, 0.0002996300000000, -0.0001525100000000 ] - [ 0.0001341800000000, 0.0000706000000000, -0.0000806700000000 ] - [ 0.0002661700000000, 0.0001904600000000, 0.0002374800000000 ] - [ -0.0328286200000000, 0.0000000000000000, -0.0072597400000000 ] - [ -0.0001573900000000, 0.0000000000000000, 0.0001195500000000 ] - [ 0.0005244400000000, -0.0037324000000000, 0.0029207400000000 ] - [ -0.0000339300000000, -0.0002996300000000, -0.0001525100000000 ] - [ -0.0001556900000000, 0.0000000000000000, -0.0001239500000000 ] - [ -0.0001477200000000, -0.0002971200000000, 0.0000496800000000 ] - [ -0.0001598500000000, -0.0001195400000000, -0.0000949900000000 ] - [ -0.0015870100000000, -0.0012545600000000, -0.0003271000000000 ] - [ 0.0019588700000000, -0.0018260000000000, -0.0014413600000000 ] - [ -0.0000472400000000, -0.0001202900000000, 0.0002291500000000 ] - [ -0.0000472400000000, 0.0001202900000000, 0.0002291500000000 ] - [ 0.0039102300000000, -0.0031697800000000, 0.0006120300000000 ] - [ 0.0019588700000000, 0.0018260000000000, -0.0014413600000000 ] - [ 0.0002661700000000, -0.0001904600000000, 0.0002374800000000 ] - [ 0.0000820600000000, 0.0003072100000000, 0.0001204700000000 ] - [ -0.0015870100000000, 0.0012545600000000, -0.0003271000000000 ] - [ 0.0031448400000000, 0.0000000000000000, 0.0006580400000000 ] - [ 0.0001341800000000, -0.0000706000000000, -0.0000806700000000 ] - [ -0.0001477200000000, 0.0002971200000000, 0.0000496800000000 ] - [ 0.0001631000000000, -0.0004655200000000, -0.0005847100000000 ] - [ 0.0001631000000000, 0.0004655200000000, -0.0005847100000000 ] - [ 0.0000995500000000, 0.0000000000000000, 0.0000675100000000 ] - [ -0.0000949600000000, 0.0004045700000000, -0.0000825200000000 ] - [ 0.0001234400000000, 0.0000857700000000, 0.0001938800000000 ] - [ 0.0000526200000000, 0.0000000000000000, -0.0000774000000000 ] - [ 0.0002390900000000, 0.0000000000000000, -0.0031351200000000 ] - [ 0.0005837900000000, -0.0003764100000000, -0.0002850000000000 ] - [ -0.0000949600000000, -0.0004045700000000, -0.0000825200000000 ] - [ 0.0005837900000000, 0.0003764100000000, -0.0002850000000000 ] - [ 0.0040518500000000, 0.0000000000000000, -0.0007204800000000 ] - [ 0.0001234400000000, -0.0000857700000000, 0.0001938800000000 ] - [ 0.0013623400000000, 0.0012679000000000, -0.0007153800000000 ] - [ -0.0014991800000000, 0.0005289000000000, 0.0004209700000000 ] - [ 0.0003799800000000, 0.0001166200000000, -0.0001847400000000 ] - [ 0.0008033400000000, -0.0001108800000000, 0.0004321900000000 ] - [ 0.0000760400000000, -0.0002390600000000, 0.0002057100000000 ] - [ -0.0002991000000000, -0.0007551200000000, -0.0000383000000000 ] - [ -0.0001561500000000, -0.0000768200000000, -0.0000416500000000 ] - [ -0.0002869600000000, 0.0000000000000000, -0.0000233700000000 ] - [ -0.0000533400000000, 0.0003853800000000, 0.0000559400000000 ] - [ -0.0000275000000000, 0.0002402000000000, 0.0001089100000000 ] - [ 0.0026685100000000, 0.0000000000000000, 0.0042800600000000 ] - [ -0.0000275000000000, -0.0002402000000000, 0.0001089100000000 ] - [ -0.0000260600000000, -0.0000124200000000, -0.0000733200000000 ] - [ 0.0003799800000000, -0.0001166200000000, -0.0001847400000000 ] - [ -0.0001561500000000, 0.0000768200000000, -0.0000416500000000 ] - [ 0.0003369400000000, 0.0000000000000000, 0.0002078400000000 ] - [ 0.0113424800000000, 0.0000000000000000, 0.0021978000000000 ] - [ 0.0001605100000000, 0.0000000000000000, -0.0001155700000000 ] - [ 0.0003370300000000, -0.0000952500000000, 0.0001777200000000 ] - [ -0.0013507700000000, 0.0000000000000000, 0.0024508700000000 ] - [ -0.0000533400000000, -0.0003853800000000, 0.0000559400000000 ] - [ -0.0000919800000000, 0.0000118700000000, 0.0000128900000000 ] - [ -0.0002991000000000, 0.0007551200000000, -0.0000383000000000 ] - [ -0.0000596600000000, 0.0001621500000000, -0.0000029500000000 ] - [ -0.0014991800000000, -0.0005289000000000, 0.0004209700000000 ] - [ 0.0013623400000000, -0.0012679000000000, -0.0007153800000000 ] - [ 0.0005762300000000, -0.0017552300000000, -0.0000433500000000 ] - [ 0.0002850500000000, 0.0000000000000000, -0.0002021900000000 ] - [ 0.0001049300000000, 0.0000000000000000, 0.0001401200000000 ] - [ 0.0003370300000000, 0.0000952500000000, 0.0001777200000000 ] - [ -0.0005957700000000, 0.0003170400000000, -0.0001911900000000 ] - [ 0.0002762200000000, 0.0004368600000000, 0.0000492300000000 ] - [ 0.0000569600000000, -0.0001351400000000, -0.0001236900000000 ] - [ -0.0005305700000000, -0.0001777000000000, -0.0001954900000000 ] - [ 0.0003009000000000, 0.0000000000000000, -0.0010207500000000 ] - [ -0.0005305700000000, 0.0001777000000000, -0.0001954900000000 ] - [ 0.0000760400000000, 0.0002390600000000, 0.0002057100000000 ] - [ -0.0003016900000000, 0.0000000000000000, 0.0001177600000000 ] - [ 0.0002762200000000, -0.0004368600000000, 0.0000492300000000 ] - [ -0.0005957700000000, -0.0003170400000000, -0.0001911900000000 ] - [ -0.0000841800000000, -0.0000960800000000, -0.0000409700000000 ] - [ 0.0000569600000000, 0.0001351400000000, -0.0001236900000000 ] - [ 0.0005762300000000, 0.0017552300000000, -0.0000433500000000 ] - [ -0.0000841800000000, 0.0000960800000000, -0.0000409700000000 ] - [ 0.0000385200000000, 0.0000000000000000, 0.0001304100000000 ] - [ -0.0000260600000000, 0.0000124200000000, -0.0000733200000000 ] - [ 0.0000614100000000, 0.0000000000000000, -0.0001255600000000 ] - [ -0.0000700500000000, 0.0000769800000000, -0.0000024200000000 ] - [ -0.0000596600000000, -0.0001621500000000, -0.0000029500000000 ] - [ 0.0008033400000000, 0.0001108800000000, 0.0004321900000000 ] - [ -0.0000919800000000, -0.0000118700000000, 0.0000128900000000 ] - [ -0.0000700500000000, -0.0000769800000000, -0.0000024200000000 ]- atom: 10 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005889000000000, -0.0031022300000000, -0.0031735100000000 ] - [ 0.0001246900000000, -0.0000601300000000, 0.0000948600000000 ] - [ -0.0039991700000000, -0.0038175800000000, -0.0003391500000000 ] - [ -0.0000392100000000, -0.0001589100000000, -0.0002613900000000 ] - [ -0.0000275200000000, -0.0002996400000000, 0.0001575500000000 ] - [ 0.0001246900000000, 0.0000601300000000, 0.0000948600000000 ] - [ 0.0000872000000000, 0.0003082600000000, -0.0001249800000000 ] - [ 0.0000365300000000, 0.0001355700000000, -0.0001077200000000 ] - [ -0.0000683500000000, -0.0002310600000000, 0.0001190200000000 ] - [ 0.0327950700000000, 0.0000000000000000, 0.0070700500000000 ] - [ -0.0001511700000000, 0.0000000000000000, 0.0001221600000000 ] - [ -0.0005889000000000, 0.0031022300000000, -0.0031735100000000 ] - [ 0.0000872000000000, -0.0003082600000000, -0.0001249800000000 ] - [ -0.0001533000000000, 0.0000000000000000, -0.0001179900000000 ] - [ 0.0003414500000000, 0.0002602000000000, -0.0004050100000000 ] - [ -0.0000392100000000, 0.0001589100000000, -0.0002613900000000 ] - [ 0.0014208600000000, 0.0014672600000000, 0.0001379000000000 ] - [ -0.0021116100000000, 0.0015977000000000, 0.0016095500000000 ] - [ -0.0001465000000000, 0.0000805100000000, 0.0001284800000000 ] - [ -0.0001465000000000, -0.0000805100000000, 0.0001284800000000 ] - [ -0.0039991700000000, 0.0038175800000000, -0.0003391500000000 ] - [ -0.0021116100000000, -0.0015977000000000, 0.0016095500000000 ] - [ -0.0000683500000000, 0.0002310600000000, 0.0001190200000000 ] - [ -0.0000275200000000, 0.0002996400000000, 0.0001575500000000 ] - [ 0.0014208600000000, -0.0014672600000000, 0.0001379000000000 ] - [ -0.0028368700000000, 0.0000000000000000, -0.0004116900000000 ] - [ 0.0000365300000000, -0.0001355700000000, -0.0001077200000000 ] - [ 0.0003414500000000, -0.0002602000000000, -0.0004050100000000 ] - [ -0.0001830500000000, 0.0009467200000000, 0.0008247800000000 ] - [ -0.0001830500000000, -0.0009467200000000, 0.0008247800000000 ] - [ 0.0000521900000000, 0.0000000000000000, 0.0000816500000000 ] - [ 0.0001206600000000, 0.0000797000000000, -0.0001746300000000 ] - [ -0.0000967100000000, 0.0003986600000000, 0.0000636700000000 ] - [ 0.0000983400000000, 0.0000000000000000, -0.0000712500000000 ] - [ -0.0004161700000000, 0.0000000000000000, 0.0029814100000000 ] - [ -0.0006076800000000, -0.0001097100000000, 0.0000304100000000 ] - [ 0.0001206600000000, -0.0000797000000000, -0.0001746300000000 ] - [ -0.0006076800000000, 0.0001097100000000, 0.0000304100000000 ] - [ -0.0042002300000000, 0.0000000000000000, 0.0008469300000000 ] - [ -0.0000967100000000, -0.0003986600000000, 0.0000636700000000 ] - [ -0.0020798400000000, -0.0010430200000000, 0.0003558100000000 ] - [ 0.0007800800000000, -0.0003044300000000, -0.0000553700000000 ] - [ 0.0003363200000000, 0.0001016900000000, -0.0001809300000000 ] - [ -0.0007550900000000, -0.0000821600000000, -0.0002676500000000 ] - [ -0.0000440900000000, 0.0000167300000000, -0.0000568500000000 ] - [ 0.0005134900000000, 0.0006066200000000, 0.0000819400000000 ] - [ -0.0000600800000000, -0.0000630700000000, -0.0000032000000000 ] - [ 0.0001700300000000, 0.0000000000000000, 0.0002877000000000 ] - [ 0.0000221700000000, -0.0001697600000000, 0.0000917200000000 ] - [ -0.0000169900000000, -0.0000429100000000, 0.0000521500000000 ] - [ -0.0034687800000000, 0.0000000000000000, -0.0048671800000000 ] - [ -0.0000169900000000, 0.0000429100000000, 0.0000521500000000 ] - [ -0.0000198400000000, 0.0002088300000000, -0.0000879100000000 ] - [ 0.0003363200000000, -0.0001016900000000, -0.0001809300000000 ] - [ -0.0000600800000000, 0.0000630700000000, -0.0000032000000000 ] - [ 0.0002837300000000, 0.0000000000000000, 0.0002050700000000 ] - [ -0.0109587400000000, 0.0000000000000000, -0.0023225100000000 ] - [ 0.0001014000000000, 0.0000000000000000, -0.0001489600000000 ] - [ 0.0003785700000000, -0.0001231500000000, 0.0001879400000000 ] - [ 0.0010046800000000, 0.0000000000000000, -0.0021548400000000 ] - [ 0.0000221700000000, 0.0001697600000000, 0.0000917200000000 ] - [ -0.0000623100000000, 0.0001835600000000, 0.0000032400000000 ] - [ 0.0005134900000000, -0.0006066200000000, 0.0000819400000000 ] - [ -0.0000950000000000, 0.0000339300000000, -0.0000138900000000 ] - [ 0.0007800800000000, 0.0003044300000000, -0.0000553700000000 ] - [ -0.0020798400000000, 0.0010430200000000, 0.0003558100000000 ] - [ -0.0004095000000000, 0.0015443500000000, 0.0000677200000000 ] - [ 0.0003355200000000, 0.0000000000000000, -0.0002108700000000 ] - [ 0.0001568400000000, 0.0000000000000000, 0.0001244000000000 ] - [ 0.0003785700000000, 0.0001231500000000, 0.0001879400000000 ] - [ 0.0007471200000000, -0.0001187900000000, 0.0001732100000000 ] - [ -0.0000629700000000, -0.0005796300000000, -0.0000915600000000 ] - [ -0.0000899300000000, 0.0003499600000000, -0.0000241400000000 ] - [ 0.0005773800000000, -0.0000138600000000, 0.0000345400000000 ] - [ -0.0003913300000000, 0.0000000000000000, 0.0007287400000000 ] - [ 0.0005773800000000, 0.0000138600000000, 0.0000345400000000 ] - [ -0.0000440900000000, -0.0000167300000000, -0.0000568500000000 ] - [ -0.0003128200000000, 0.0000000000000000, 0.0002890400000000 ] - [ -0.0000629700000000, 0.0005796300000000, -0.0000915600000000 ] - [ 0.0007471200000000, 0.0001187900000000, 0.0001732100000000 ] - [ 0.0001163400000000, -0.0001160500000000, -0.0001072800000000 ] - [ -0.0000899300000000, -0.0003499600000000, -0.0000241400000000 ] - [ -0.0004095000000000, -0.0015443500000000, 0.0000677200000000 ] - [ 0.0001163400000000, 0.0001160500000000, -0.0001072800000000 ] - [ 0.0000650500000000, 0.0000000000000000, 0.0001235200000000 ] - [ -0.0000198400000000, -0.0002088300000000, -0.0000879100000000 ] - [ 0.0000427000000000, 0.0000000000000000, -0.0001286800000000 ] - [ -0.0001466100000000, 0.0000639000000000, 0.0000473400000000 ] - [ -0.0000950000000000, -0.0000339300000000, -0.0000138900000000 ] - [ -0.0007550900000000, 0.0000821600000000, -0.0002676500000000 ] - [ -0.0000623100000000, -0.0001835600000000, 0.0000032400000000 ] - [ -0.0001466100000000, -0.0000639000000000, 0.0000473400000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028147900000000, 0.0002802100000000, 0.0018575700000000 ] - [ 0.0000501000000000, 0.0008421800000000, 0.0002216900000000 ] - [ 0.0033239700000000, -0.0009759000000000, 0.0004828400000000 ] - [ 0.0002733100000000, 0.0006266100000000, -0.0000242400000000 ] - [ -0.0000434800000000, 0.0004030900000000, 0.0001359800000000 ] - [ 0.0001211200000000, 0.0010492500000000, -0.0000348700000000 ] - [ -0.0000300700000000, 0.0011720500000000, -0.0000431900000000 ] - [ 0.0000488300000000, 0.0007599900000000, -0.0001122600000000 ] - [ 0.0003448900000000, -0.0001507200000000, -0.0000267700000000 ] - [ 0.0002225300000000, -0.0412962600000000, -0.0000225300000000 ] - [ -0.0001545600000000, 0.0007388900000000, 0.0001207700000000 ] - [ -0.0028525900000000, -0.0003095900000000, -0.0021228800000000 ] - [ 0.0000840500000000, 0.0005644000000000, -0.0002344300000000 ] - [ -0.0001546400000000, 0.0006634000000000, -0.0001208800000000 ] - [ -0.0005006800000000, 0.0010364100000000, 0.0005049100000000 ] - [ -0.0004703000000000, 0.0006643800000000, -0.0003326000000000 ] - [ -0.0009262400000000, -0.0011251100000000, 0.0002163400000000 ] - [ -0.0012393300000000, -0.0008194400000000, 0.0001800900000000 ] - [ -0.0005134600000000, 0.0006006600000000, 0.0000005100000000 ] - [ 0.0003175500000000, 0.0006385700000000, 0.0003558200000000 ] - [ -0.0033948100000000, -0.0003835700000000, -0.0002066400000000 ] - [ 0.0010692700000000, -0.0006214800000000, 0.0000065800000000 ] - [ -0.0001500500000000, -0.0001132200000000, 0.0003854500000000 ] - [ 0.0000976100000000, 0.0010100800000000, 0.0001425200000000 ] - [ 0.0007552800000000, -0.0013196500000000, -0.0004001000000000 ] - [ 0.0001536400000000, -0.0006538000000000, 0.0001199400000000 ] - [ 0.0001215900000000, 0.0005531900000000, -0.0000760900000000 ] - [ 0.0006979200000000, 0.0010749400000000, -0.0008639200000000 ] - [ -0.0012130100000000, 0.0030688000000000, 0.0033981800000000 ] - [ 0.0011831500000000, 0.0025455700000000, -0.0031446700000000 ] - [ 0.0000751400000000, 0.0007983200000000, 0.0000747500000000 ] - [ -0.0000658200000000, 0.0010042000000000, -0.0002593300000000 ] - [ -0.0000113200000000, 0.0007533900000000, 0.0002565600000000 ] - [ 0.0000750300000000, 0.0008398200000000, -0.0000744700000000 ] - [ -0.0000875700000000, -0.0056593200000000, -0.0000707800000000 ] - [ -0.0006372500000000, -0.0002787300000000, -0.0005526500000000 ] - [ 0.0000927700000000, 0.0005199400000000, 0.0000021700000000 ] - [ 0.0006166100000000, 0.0002040000000000, 0.0002985300000000 ] - [ -0.0000715500000000, -0.0004317400000000, 0.0000769800000000 ] - [ 0.0000378700000000, 0.0002659500000000, -0.0000003200000000 ] - [ 0.0015801200000000, 0.0065851800000000, -0.0042738700000000 ] - [ -0.0004232900000000, 0.0010084200000000, 0.0002172400000000 ] - [ 0.0004455100000000, -0.0006056100000000, -0.0001596300000000 ] - [ 0.0001550100000000, -0.0002401000000000, 0.0012168400000000 ] - [ -0.0000511400000000, -0.0019496200000000, 0.0002286300000000 ] - [ -0.0001279400000000, 0.0000667000000000, -0.0001820600000000 ] - [ -0.0001516600000000, -0.0004081500000000, -0.0000490200000000 ] - [ -0.0000536600000000, 0.0010781400000000, 0.0001273400000000 ] - [ 0.0002127200000000, -0.0002353800000000, 0.0001473300000000 ] - [ 0.0001059000000000, -0.0002680000000000, -0.0000017200000000 ] - [ -0.0002875400000000, -0.0000657500000000, -0.0001879400000000 ] - [ -0.0001522300000000, -0.0004648100000000, 0.0001639400000000 ] - [ -0.0001345200000000, -0.0002863100000000, -0.0000886100000000 ] - [ 0.0002710700000000, -0.0008248100000000, -0.0002058200000000 ] - [ -0.0000636400000000, -0.0002672700000000, 0.0000043500000000 ] - [ 0.0003096200000000, -0.0005497600000000, 0.0002063800000000 ] - [ -0.0001438000000000, 0.0029772300000000, -0.0001363700000000 ] - [ 0.0001308400000000, -0.0007268600000000, -0.0001321200000000 ] - [ 0.0003568600000000, -0.0007795700000000, 0.0002211200000000 ] - [ -0.0001358200000000, 0.0030428000000000, 0.0001345500000000 ] - [ -0.0002455100000000, -0.0004476400000000, 0.0000000200000000 ] - [ -0.0001373100000000, -0.0004435500000000, 0.0000665700000000 ] - [ 0.0003376600000000, 0.0002074000000000, 0.0002249600000000 ] - [ -0.0000370500000000, -0.0005330400000000, 0.0000087800000000 ] - [ -0.0002941200000000, 0.0007839900000000, 0.0001479500000000 ] - [ -0.0022367400000000, 0.0062528800000000, 0.0037517300000000 ] - [ -0.0022112300000000, 0.0119705600000000, 0.0003700400000000 ] - [ 0.0003098100000000, -0.0004481300000000, -0.0002065600000000 ] - [ 0.0001309700000000, -0.0005979100000000, 0.0001320400000000 ] - [ 0.0003594300000000, -0.0005601000000000, 0.0001444500000000 ] - [ 0.0000728100000000, 0.0007467700000000, 0.0001642600000000 ] - [ 0.0010673200000000, -0.0003603200000000, -0.0010057400000000 ] - [ -0.0000856900000000, -0.0005236100000000, -0.0003183400000000 ] - [ 0.0001744300000000, -0.0000562900000000, -0.0001752500000000 ] - [ -0.0000447500000000, 0.0017990300000000, -0.0001359800000000 ] - [ -0.0001290000000000, 0.0001411300000000, 0.0000139700000000 ] - [ 0.0000834200000000, -0.0017249100000000, -0.0000799500000000 ] - [ -0.0003100100000000, 0.0015920100000000, 0.0002078200000000 ] - [ -0.0008442000000000, -0.0002154400000000, 0.0009527800000000 ] - [ 0.0000829700000000, 0.0005556500000000, -0.0001804900000000 ] - [ 0.0001936800000000, -0.0004758700000000, 0.0000704300000000 ] - [ 0.0000534600000000, -0.0007401900000000, 0.0001724500000000 ] - [ 0.0022392700000000, 0.0116222600000000, -0.0002987400000000 ] - [ -0.0001621000000000, -0.0002615300000000, -0.0002183400000000 ] - [ 0.0000521200000000, -0.0005264900000000, 0.0001273400000000 ] - [ 0.0000882600000000, -0.0004825700000000, -0.0000738400000000 ] - [ 0.0000522300000000, -0.0004948200000000, -0.0001275600000000 ] - [ 0.0000415800000000, -0.0004240400000000, 0.0000216000000000 ] - [ -0.0001176200000000, -0.0007293100000000, -0.0000247700000000 ] - [ -0.0001127100000000, -0.0000476700000000, -0.0010694800000000 ] - [ -0.0000176200000000, -0.0006405800000000, -0.0000509700000000 ] - [ -0.0002564700000000, -0.0005639300000000, 0.0000236900000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026287000000000, 0.0028249300000000, 0.0018031000000000 ] - [ 0.0001013900000000, -0.0000978600000000, 0.0000730300000000 ] - [ -0.0001235100000000, -0.0003173000000000, -0.0011724100000000 ] - [ -0.0000941300000000, 0.0000126300000000, -0.0001585700000000 ] - [ 0.0000077100000000, -0.0002994200000000, 0.0001595300000000 ] - [ 0.0001013900000000, 0.0000978600000000, 0.0000730300000000 ] - [ 0.0000286300000000, 0.0003117500000000, -0.0001174500000000 ] - [ 0.0000827100000000, 0.0001067000000000, -0.0001063300000000 ] - [ 0.0000275000000000, 0.0000446100000000, 0.0002406300000000 ] - [ -0.0070363200000000, 0.0000000000000000, -0.0405872400000000 ] - [ -0.0001561400000000, 0.0000000000000000, 0.0001195600000000 ] - [ 0.0026287000000000, -0.0028249300000000, 0.0018031000000000 ] - [ 0.0000286300000000, -0.0003117500000000, -0.0001174500000000 ] - [ -0.0001518500000000, 0.0000000000000000, -0.0001231100000000 ] - [ 0.0002574900000000, 0.0005531100000000, -0.0004905900000000 ] - [ -0.0000941300000000, -0.0000126300000000, -0.0001585700000000 ] - [ -0.0006199600000000, 0.0008512400000000, 0.0015526100000000 ] - [ -0.0009592800000000, -0.0002898000000000, -0.0003589800000000 ] - [ -0.0001024900000000, 0.0000292900000000, 0.0001570900000000 ] - [ -0.0001024900000000, -0.0000292900000000, 0.0001570900000000 ] - [ -0.0001235100000000, 0.0003173000000000, -0.0011724100000000 ] - [ -0.0009592800000000, 0.0002898000000000, -0.0003589800000000 ] - [ 0.0000275000000000, -0.0000446100000000, 0.0002406300000000 ] - [ 0.0000077100000000, 0.0002994200000000, 0.0001595300000000 ] - [ -0.0006199600000000, -0.0008512400000000, 0.0015526100000000 ] - [ -0.0003801000000000, 0.0000000000000000, 0.0004378900000000 ] - [ 0.0000827100000000, -0.0001067000000000, -0.0001063300000000 ] - [ 0.0002574900000000, -0.0005531100000000, -0.0004905900000000 ] - [ 0.0001498600000000, 0.0007676500000000, 0.0003096100000000 ] - [ 0.0001498600000000, -0.0007676500000000, 0.0003096100000000 ] - [ 0.0000688900000000, 0.0000000000000000, 0.0000798900000000 ] - [ 0.0000368500000000, 0.0001839100000000, -0.0000951000000000 ] - [ 0.0000480300000000, 0.0003471000000000, -0.0000021200000000 ] - [ 0.0000773000000000, 0.0000000000000000, -0.0000723500000000 ] - [ -0.0001846800000000, 0.0000000000000000, 0.0108910200000000 ] - [ 0.0000500500000000, -0.0002546200000000, -0.0001413200000000 ] - [ 0.0000368500000000, -0.0001839100000000, -0.0000951000000000 ] - [ 0.0000500500000000, 0.0002546200000000, -0.0001413200000000 ] - [ 0.0029344200000000, 0.0000000000000000, 0.0005763200000000 ] - [ 0.0000480300000000, -0.0003471000000000, -0.0000021200000000 ] - [ -0.0022640900000000, -0.0043251100000000, 0.0033239200000000 ] - [ -0.0007827800000000, 0.0003081200000000, -0.0001008800000000 ] - [ 0.0003544400000000, 0.0001055500000000, -0.0001820900000000 ] - [ -0.0000557200000000, 0.0002788500000000, 0.0000667600000000 ] - [ -0.0000255600000000, -0.0002015500000000, 0.0000245500000000 ] - [ 0.0001574600000000, -0.0001928900000000, 0.0001391800000000 ] - [ -0.0000830400000000, -0.0000963800000000, -0.0000011400000000 ] - [ 0.0000357600000000, 0.0000000000000000, 0.0005849100000000 ] - [ 0.0000505200000000, -0.0000721300000000, 0.0001357300000000 ] - [ -0.0000048500000000, 0.0000998700000000, 0.0001100000000000 ] - [ 0.0048439600000000, 0.0000000000000000, 0.0053058300000000 ] - [ -0.0000048500000000, -0.0000998700000000, 0.0001100000000000 ] - [ -0.0000073500000000, 0.0001432900000000, -0.0000668100000000 ] - [ 0.0003544400000000, -0.0001055500000000, -0.0001820900000000 ] - [ -0.0000830400000000, 0.0000963800000000, -0.0000011400000000 ] - [ 0.0003037300000000, 0.0000000000000000, 0.0002032700000000 ] - [ 0.0006927500000000, 0.0000000000000000, 0.0030008000000000 ] - [ 0.0001210900000000, 0.0000000000000000, -0.0001381400000000 ] - [ 0.0003611700000000, -0.0001184700000000, 0.0001871900000000 ] - [ 0.0005780100000000, 0.0000000000000000, 0.0006976700000000 ] - [ 0.0000505200000000, 0.0000721300000000, 0.0001357300000000 ] - [ -0.0000873800000000, 0.0001532300000000, 0.0000042300000000 ] - [ 0.0001574600000000, 0.0001928900000000, 0.0001391800000000 ] - [ -0.0000780500000000, 0.0000906100000000, -0.0000279500000000 ] - [ -0.0007827800000000, -0.0003081200000000, -0.0001008800000000 ] - [ -0.0022640900000000, 0.0043251100000000, 0.0033239200000000 ] - [ 0.0001164200000000, -0.0011144600000000, 0.0004299900000000 ] - [ 0.0003175200000000, 0.0000000000000000, -0.0002105300000000 ] - [ 0.0001363900000000, 0.0000000000000000, 0.0001312200000000 ] - [ 0.0003611700000000, 0.0001184700000000, 0.0001871900000000 ] - [ -0.0002347900000000, 0.0001797700000000, -0.0001234400000000 ] - [ 0.0000483200000000, -0.0001399400000000, 0.0000833000000000 ] - [ -0.0000395800000000, 0.0001832800000000, -0.0000961800000000 ] - [ 0.0000756100000000, -0.0001188400000000, -0.0000747500000000 ] - [ 0.0001667500000000, 0.0000000000000000, 0.0093781100000000 ] - [ 0.0000756100000000, 0.0001188400000000, -0.0000747500000000 ] - [ -0.0000255600000000, 0.0002015500000000, 0.0000245500000000 ] - [ -0.0003477200000000, 0.0000000000000000, -0.0010510300000000 ] - [ 0.0000483200000000, 0.0001399400000000, 0.0000833000000000 ] - [ -0.0002347900000000, -0.0001797700000000, -0.0001234400000000 ] - [ 0.0000132900000000, -0.0000767200000000, -0.0000916200000000 ] - [ -0.0000395800000000, -0.0001832800000000, -0.0000961800000000 ] - [ 0.0001164200000000, 0.0011144600000000, 0.0004299900000000 ] - [ 0.0000132900000000, 0.0000767200000000, -0.0000916200000000 ] - [ 0.0000549200000000, 0.0000000000000000, 0.0001265500000000 ] - [ -0.0000073500000000, -0.0001432900000000, -0.0000668100000000 ] - [ 0.0000512200000000, 0.0000000000000000, -0.0001306500000000 ] - [ -0.0000964900000000, 0.0000182200000000, -0.0000026900000000 ] - [ -0.0000780500000000, -0.0000906100000000, -0.0000279500000000 ] - [ -0.0000557200000000, -0.0002788500000000, 0.0000667600000000 ] - [ -0.0000873800000000, -0.0001532300000000, 0.0000042300000000 ] - [ -0.0000964900000000, -0.0000182200000000, -0.0000026900000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0026563700000000, -0.0021958900000000, -0.0020854900000000 ] - [ 0.0000694600000000, -0.0001095900000000, 0.0001141200000000 ] - [ 0.0000823800000000, -0.0002894500000000, 0.0014541700000000 ] - [ -0.0001029400000000, -0.0000508000000000, -0.0001994200000000 ] - [ 0.0000465800000000, -0.0003075800000000, 0.0001186600000000 ] - [ 0.0000694600000000, 0.0001095900000000, 0.0001141200000000 ] - [ 0.0000250500000000, 0.0002958400000000, -0.0001600800000000 ] - [ 0.0000876200000000, 0.0000999800000000, -0.0000817800000000 ] - [ 0.0001690300000000, -0.0000847400000000, 0.0001160500000000 ] - [ 0.0072882300000000, 0.0000000000000000, 0.0402663600000000 ] - [ -0.0001535000000000, 0.0000000000000000, 0.0001221400000000 ] - [ -0.0026563700000000, 0.0021958900000000, -0.0020854900000000 ] - [ 0.0000250500000000, -0.0002958400000000, -0.0001600800000000 ] - [ -0.0001578100000000, 0.0000000000000000, -0.0001185800000000 ] - [ -0.0000625900000000, -0.0005956300000000, 0.0001364500000000 ] - [ -0.0001029400000000, 0.0000508000000000, -0.0001994200000000 ] - [ 0.0004346100000000, -0.0006333000000000, -0.0017357500000000 ] - [ 0.0007924600000000, 0.0000771400000000, 0.0005528400000000 ] - [ -0.0000924900000000, -0.0000681900000000, 0.0002004700000000 ] - [ -0.0000924900000000, 0.0000681900000000, 0.0002004700000000 ] - [ 0.0000823800000000, 0.0002894500000000, 0.0014541700000000 ] - [ 0.0007924600000000, -0.0000771400000000, 0.0005528400000000 ] - [ 0.0001690300000000, 0.0000847400000000, 0.0001160500000000 ] - [ 0.0000465800000000, 0.0003075800000000, 0.0001186600000000 ] - [ 0.0004346100000000, 0.0006333000000000, -0.0017357500000000 ] - [ 0.0006896300000000, 0.0000000000000000, -0.0001985300000000 ] - [ 0.0000876200000000, -0.0000999800000000, -0.0000817800000000 ] - [ -0.0000625900000000, 0.0005956300000000, 0.0001364500000000 ] - [ -0.0001735800000000, -0.0002824100000000, -0.0000699700000000 ] - [ -0.0001735800000000, 0.0002824100000000, -0.0000699700000000 ] - [ 0.0000818000000000, 0.0000000000000000, 0.0000692500000000 ] - [ -0.0000122200000000, 0.0002996800000000, -0.0001629100000000 ] - [ -0.0000217800000000, 0.0001373800000000, 0.0002600100000000 ] - [ 0.0000727600000000, 0.0000000000000000, -0.0000763700000000 ] - [ 0.0000674100000000, 0.0000000000000000, -0.0110886700000000 ] - [ -0.0000763600000000, -0.0002306900000000, -0.0001164600000000 ] - [ -0.0000122200000000, -0.0002996800000000, -0.0001629100000000 ] - [ -0.0000763600000000, 0.0002306900000000, -0.0001164600000000 ] - [ -0.0030893300000000, 0.0000000000000000, -0.0004514300000000 ] - [ -0.0000217800000000, -0.0001373800000000, 0.0002600100000000 ] - [ 0.0016285900000000, 0.0047132900000000, -0.0038713200000000 ] - [ 0.0000638900000000, -0.0000862500000000, 0.0004673100000000 ] - [ 0.0003620500000000, 0.0001135900000000, -0.0001834200000000 ] - [ 0.0000994500000000, -0.0004677600000000, 0.0000980200000000 ] - [ 0.0000579300000000, -0.0000210100000000, 0.0001229200000000 ] - [ 0.0000567200000000, 0.0000499500000000, -0.0000941600000000 ] - [ -0.0001323700000000, -0.0000441600000000, -0.0000435500000000 ] - [ -0.0001461200000000, 0.0000000000000000, -0.0003274600000000 ] - [ -0.0000832100000000, 0.0002885500000000, 0.0000116000000000 ] - [ -0.0000410300000000, 0.0000964600000000, 0.0000516800000000 ] - [ -0.0056507700000000, 0.0000000000000000, -0.0058275000000000 ] - [ -0.0000410300000000, -0.0000964600000000, 0.0000516800000000 ] - [ -0.0000388900000000, 0.0000526600000000, -0.0000954300000000 ] - [ 0.0003620500000000, -0.0001135900000000, -0.0001834200000000 ] - [ -0.0001323700000000, 0.0000441600000000, -0.0000435500000000 ] - [ 0.0003153500000000, 0.0000000000000000, 0.0002095200000000 ] - [ -0.0009405000000000, 0.0000000000000000, -0.0032535600000000 ] - [ 0.0001403100000000, 0.0000000000000000, -0.0001264900000000 ] - [ 0.0003549300000000, -0.0001006900000000, 0.0001783200000000 ] - [ -0.0008805900000000, 0.0000000000000000, -0.0003917800000000 ] - [ -0.0000832100000000, -0.0002885500000000, 0.0000116000000000 ] - [ -0.0000675100000000, 0.0000429800000000, 0.0000115200000000 ] - [ 0.0000567200000000, -0.0000499500000000, -0.0000941600000000 ] - [ -0.0000769000000000, 0.0001054300000000, 0.0000116300000000 ] - [ 0.0000638900000000, 0.0000862500000000, 0.0004673100000000 ] - [ 0.0016285900000000, -0.0047132900000000, -0.0038713200000000 ] - [ 0.0000435800000000, 0.0008845200000000, -0.0004069700000000 ] - [ 0.0003017200000000, 0.0000000000000000, -0.0002024300000000 ] - [ 0.0001250100000000, 0.0000000000000000, 0.0001334300000000 ] - [ 0.0003549300000000, 0.0001006900000000, 0.0001783200000000 ] - [ 0.0003868100000000, 0.0000170900000000, 0.0001091300000000 ] - [ 0.0001653800000000, -0.0000031700000000, -0.0001237700000000 ] - [ 0.0000073900000000, 0.0000338800000000, -0.0000514800000000 ] - [ -0.0000301300000000, -0.0000758500000000, -0.0000878000000000 ] - [ -0.0002101200000000, 0.0000000000000000, -0.0090767300000000 ] - [ -0.0000301300000000, 0.0000758500000000, -0.0000878000000000 ] - [ 0.0000579300000000, 0.0000210100000000, 0.0001229200000000 ] - [ -0.0002880600000000, 0.0000000000000000, 0.0014600700000000 ] - [ 0.0001653800000000, 0.0000031700000000, -0.0001237700000000 ] - [ 0.0003868100000000, -0.0000170900000000, 0.0001091300000000 ] - [ 0.0000192700000000, -0.0001377800000000, -0.0000552000000000 ] - [ 0.0000073900000000, -0.0000338800000000, -0.0000514800000000 ] - [ 0.0000435800000000, -0.0008845200000000, -0.0004069700000000 ] - [ 0.0000192700000000, 0.0001377800000000, -0.0000552000000000 ] - [ 0.0000492700000000, 0.0000000000000000, 0.0001283400000000 ] - [ -0.0000388900000000, -0.0000526600000000, -0.0000954300000000 ] - [ 0.0000532500000000, 0.0000000000000000, -0.0001244900000000 ] - [ -0.0001187700000000, 0.0001217000000000, 0.0000474800000000 ] - [ -0.0000769000000000, -0.0001054300000000, 0.0000116300000000 ] - [ 0.0000994500000000, 0.0004677600000000, 0.0000980200000000 ] - [ -0.0000675100000000, -0.0000429800000000, 0.0000115200000000 ] - [ -0.0001187700000000, -0.0001217000000000, 0.0000474800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0032506700000000, -0.0020016900000000, -0.0003788700000000 ] - [ -0.0004355000000000, 0.0004168400000000, 0.0006561100000000 ] - [ -0.0000474200000000, -0.0000029900000000, 0.0002543500000000 ] - [ 0.0059671600000000, 0.0049752500000000, 0.0005314400000000 ] - [ 0.0002868600000000, -0.0006908400000000, -0.0000412500000000 ] - [ 0.0000128200000000, 0.0001461100000000, 0.0001004200000000 ] - [ 0.0000450500000000, 0.0003660800000000, -0.0001393400000000 ] - [ 0.0001409400000000, 0.0000981000000000, -0.0000889700000000 ] - [ 0.0001128000000000, 0.0000800100000000, 0.0001795600000000 ] - [ 0.0003280400000000, -0.0011954700000000, 0.0000404300000000 ] - [ -0.0002622400000000, 0.0000801100000000, 0.0001457300000000 ] - [ 0.0000569100000000, -0.0004696800000000, -0.0001650800000000 ] - [ 0.0003535400000000, 0.0000806100000000, -0.0001916400000000 ] - [ -0.0000444100000000, 0.0000246700000000, -0.0001555800000000 ] - [ 0.0000961500000000, -0.0001222900000000, -0.0001619100000000 ] - [ -0.0000700200000000, 0.0000296700000000, -0.0001793900000000 ] - [ -0.0059819000000000, 0.0025574400000000, -0.0040989500000000 ] - [ 0.0002054700000000, -0.0001298800000000, 0.0001210700000000 ] - [ 0.0024212200000000, -0.0063319700000000, 0.0049811800000000 ] - [ -0.0001249700000000, 0.0000438400000000, 0.0001936500000000 ] - [ -0.0007696700000000, 0.0049660900000000, 0.0046563000000000 ] - [ 0.0010638700000000, 0.0000159100000000, -0.0000967300000000 ] - [ 0.0030244100000000, -0.0012905500000000, -0.0028024400000000 ] - [ 0.0000349000000000, 0.0002829800000000, 0.0001312400000000 ] - [ -0.0004294600000000, 0.0000114500000000, -0.0002623400000000 ] - [ 0.0007477600000000, 0.0006289300000000, 0.0000575600000000 ] - [ 0.0002984500000000, -0.0003249300000000, -0.0000790000000000 ] - [ 0.0010221500000000, 0.0015040900000000, 0.0005171700000000 ] - [ -0.1193375600000000, -0.0054675200000000, -0.0069830900000000 ] - [ -0.0001574100000000, -0.0002477600000000, 0.0001630400000000 ] - [ 0.0001196600000000, -0.0001078100000000, 0.0000191600000000 ] - [ -0.0000243500000000, 0.0002740900000000, -0.0001313700000000 ] - [ 0.0000474800000000, 0.0002454700000000, 0.0001368600000000 ] - [ 0.0001394700000000, 0.0000365100000000, -0.0000746200000000 ] - [ 0.0002945600000000, -0.0008737300000000, -0.0009389300000000 ] - [ 0.0000828800000000, -0.0002059600000000, -0.0001252600000000 ] - [ -0.0020400500000000, -0.0010477500000000, -0.0016837300000000 ] - [ 0.0033142300000000, 0.0003443100000000, 0.0011135800000000 ] - [ -0.0008009000000000, 0.0009469100000000, -0.0001329200000000 ] - [ 0.0008200000000000, 0.0001955500000000, 0.0004821100000000 ] - [ -0.0006525000000000, 0.0012553800000000, -0.0008834100000000 ] - [ -0.0001730300000000, -0.0009232900000000, 0.0006060700000000 ] - [ 0.0003351700000000, 0.0000624800000000, -0.0001813300000000 ] - [ 0.0000955300000000, -0.0000674100000000, 0.0000884100000000 ] - [ 0.0000445600000000, -0.0000896800000000, 0.0000717300000000 ] - [ -0.0017768500000000, 0.0001581500000000, -0.0000755500000000 ] - [ -0.0001339500000000, -0.0000768200000000, -0.0000265300000000 ] - [ -0.0002155900000000, -0.0004112500000000, 0.0002290100000000 ] - [ -0.0000473900000000, 0.0001111600000000, 0.0000744400000000 ] - [ -0.0000531500000000, 0.0000977800000000, 0.0000791600000000 ] - [ 0.0002446500000000, -0.0002195100000000, 0.0000276800000000 ] - [ -0.0001148400000000, -0.0006495100000000, -0.0004025200000000 ] - [ 0.0000074600000000, 0.0000767800000000, -0.0000712800000000 ] - [ 0.0004644000000000, -0.0000811300000000, 0.0000160100000000 ] - [ -0.0006117500000000, 0.0003150100000000, -0.0001090500000000 ] - [ 0.0002887100000000, -0.0001508900000000, 0.0001951100000000 ] - [ -0.0006781700000000, 0.0003888100000000, -0.0000062600000000 ] - [ 0.0001599200000000, -0.0002281300000000, -0.0001473000000000 ] - [ 0.0003676100000000, 0.0001433000000000, 0.0002892600000000 ] - [ 0.0004874800000000, -0.0013519800000000, 0.0001468500000000 ] - [ -0.0008268300000000, -0.0000866900000000, 0.0001603200000000 ] - [ -0.0004235900000000, -0.0001378700000000, -0.0002637000000000 ] - [ 0.0000474300000000, 0.0000961000000000, 0.0000115700000000 ] - [ 0.0011301900000000, 0.0001102900000000, 0.0007697700000000 ] - [ -0.0002831400000000, -0.0004330400000000, 0.0002326100000000 ] - [ -0.0003677300000000, 0.0003169600000000, -0.0000890100000000 ] - [ 0.0094424400000000, -0.0103471900000000, -0.0110768800000000 ] - [ 0.0003152900000000, 0.0000728500000000, -0.0002211200000000 ] - [ 0.0001076500000000, 0.0001113000000000, 0.0001988300000000 ] - [ 0.0003802700000000, 0.0001580600000000, 0.0001818500000000 ] - [ -0.0000182200000000, 0.0000184000000000, -0.0000202300000000 ] - [ 0.0640251500000000, 0.0111495800000000, -0.0125025900000000 ] - [ 0.0000154900000000, 0.0000666400000000, -0.0000732900000000 ] - [ -0.0000616000000000, -0.0001445900000000, -0.0000716200000000 ] - [ -0.0000633800000000, 0.0004059100000000, -0.0005348400000000 ] - [ -0.0018123100000000, -0.0000292800000000, -0.0006777200000000 ] - [ 0.0073713500000000, 0.0092958400000000, -0.0045661900000000 ] - [ -0.0007032000000000, 0.0002782000000000, 0.0003246100000000 ] - [ 0.0001828700000000, -0.0000321500000000, -0.0000369200000000 ] - [ -0.0019846200000000, -0.0004334000000000, -0.0002236700000000 ] - [ -0.0000064100000000, -0.0001418500000000, -0.0000696000000000 ] - [ 0.0015126300000000, 0.0001075600000000, 0.0004654300000000 ] - [ 0.0002305500000000, 0.0001800000000000, -0.0000392300000000 ] - [ -0.0013434900000000, 0.0005052400000000, -0.0002121400000000 ] - [ 0.0001124000000000, 0.0000860500000000, 0.0001101800000000 ] - [ 0.0005963200000000, 0.0015507300000000, 0.0008919000000000 ] - [ -0.0000040800000000, -0.0000459500000000, -0.0001534000000000 ] - [ 0.0007164500000000, -0.0008353800000000, -0.0003580300000000 ] - [ -0.0000514300000000, -0.0001291500000000, 0.0000005000000000 ] - [ 0.0301504800000000, -0.0077170000000000, 0.0323226100000000 ] - [ -0.0000987100000000, -0.0001075300000000, 0.0000089600000000 ] - [ -0.0000880700000000, -0.0000881300000000, 0.0000209700000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0032935200000000, 0.0025942000000000, 0.0001120800000000 ] - [ 0.0006140600000000, -0.0006248400000000, -0.0004718800000000 ] - [ -0.0000060600000000, -0.0006046600000000, 0.0000245000000000 ] - [ -0.0060976700000000, -0.0049544200000000, -0.0008620400000000 ] - [ -0.0002338800000000, 0.0000876000000000, 0.0003228600000000 ] - [ 0.0001595500000000, 0.0000598500000000, 0.0000897300000000 ] - [ 0.0000100100000000, 0.0002406400000000, -0.0001400100000000 ] - [ 0.0000300500000000, 0.0001087600000000, -0.0001012300000000 ] - [ 0.0000851000000000, -0.0001217900000000, 0.0001772900000000 ] - [ -0.0000177200000000, 0.0012004000000000, -0.0002837200000000 ] - [ -0.0000459800000000, -0.0000780800000000, 0.0000966200000000 ] - [ -0.0001106900000000, -0.0001357300000000, -0.0001139300000000 ] - [ -0.0002997800000000, -0.0006927900000000, -0.0000800000000000 ] - [ -0.0002643000000000, -0.0000243400000000, -0.0000863200000000 ] - [ 0.0001019000000000, 0.0000812600000000, -0.0001946200000000 ] - [ -0.0001267800000000, 0.0000120400000000, -0.0001776600000000 ] - [ 0.0058321700000000, -0.0023401900000000, 0.0038914000000000 ] - [ -0.0003770100000000, -0.0000759100000000, 0.0000683200000000 ] - [ -0.0026573700000000, 0.0063362000000000, -0.0046613900000000 ] - [ -0.0000714400000000, -0.0000021400000000, 0.0001633700000000 ] - [ 0.0007159400000000, -0.0043797600000000, -0.0043850000000000 ] - [ -0.0012361000000000, 0.0001815300000000, 0.0002819800000000 ] - [ -0.0028388200000000, 0.0013219900000000, 0.0031502300000000 ] - [ 0.0000202400000000, 0.0003242300000000, 0.0001483200000000 ] - [ 0.0002608100000000, -0.0002182500000000, 0.0000728300000000 ] - [ -0.0004432800000000, -0.0006247000000000, 0.0001843900000000 ] - [ -0.0001274600000000, 0.0001200400000000, -0.0001111600000000 ] - [ -0.0008253000000000, -0.0014642300000000, -0.0008783300000000 ] - [ 0.1218210100000000, 0.0069509400000000, 0.0055703500000000 ] - [ 0.0001321400000000, -0.0002379600000000, 0.0000898700000000 ] - [ 0.0000323300000000, 0.0001094200000000, 0.0001303200000000 ] - [ 0.0000519000000000, 0.0002124100000000, -0.0001221100000000 ] - [ -0.0000203200000000, 0.0002418900000000, 0.0001262300000000 ] - [ 0.0000120100000000, -0.0000374000000000, -0.0000735300000000 ] - [ -0.0004428900000000, 0.0008752900000000, 0.0007898800000000 ] - [ -0.0001091800000000, -0.0002788700000000, -0.0001373200000000 ] - [ 0.0020788700000000, 0.0005632600000000, 0.0014214900000000 ] - [ -0.0033183000000000, 0.0001347200000000, -0.0013397600000000 ] - [ 0.0006514300000000, -0.0009504000000000, 0.0002826500000000 ] - [ -0.0007915400000000, -0.0006882300000000, -0.0002310400000000 ] - [ -0.0000728100000000, -0.0010349900000000, 0.0005307500000000 ] - [ -0.0005390600000000, 0.0011484200000000, -0.0002461400000000 ] - [ 0.0003813700000000, 0.0001538100000000, -0.0001843900000000 ] - [ -0.0000505000000000, -0.0001302200000000, 0.0000712600000000 ] - [ -0.0000115900000000, -0.0001234200000000, 0.0000761800000000 ] - [ 0.0019678600000000, -0.0002910600000000, 0.0001194200000000 ] - [ -0.0000828700000000, -0.0000639600000000, -0.0000194000000000 ] - [ 0.0001136500000000, 0.0004133000000000, 0.0000238600000000 ] - [ 0.0000160400000000, 0.0000991500000000, 0.0000745100000000 ] - [ 0.0000098300000000, 0.0000982400000000, 0.0000799700000000 ] - [ -0.0008666700000000, 0.0002219600000000, -0.0004413000000000 ] - [ 0.0000663800000000, 0.0004523200000000, 0.0005685100000000 ] - [ -0.0000513800000000, 0.0001193000000000, -0.0000883200000000 ] - [ 0.0002532500000000, -0.0001365100000000, -0.0003802700000000 ] - [ 0.0003987800000000, -0.0001733000000000, 0.0000657000000000 ] - [ 0.0003336800000000, 0.0001514900000000, 0.0002181100000000 ] - [ 0.0004183400000000, -0.0003889500000000, -0.0002595900000000 ] - [ 0.0001020800000000, 0.0002284600000000, -0.0001180700000000 ] - [ 0.0003482300000000, -0.0003639100000000, 0.0000761500000000 ] - [ -0.0007506700000000, 0.0013612300000000, 0.0001177100000000 ] - [ 0.0007977800000000, -0.0001201900000000, -0.0000119200000000 ] - [ 0.0002695200000000, 0.0003320100000000, 0.0002799000000000 ] - [ 0.0001715000000000, 0.0000432200000000, 0.0000341500000000 ] - [ -0.0012864100000000, 0.0000806700000000, -0.0007857700000000 ] - [ -0.0004302200000000, 0.0002152300000000, 0.0001331200000000 ] - [ -0.0003466900000000, -0.0005375200000000, -0.0002772600000000 ] - [ -0.0094335100000000, 0.0101879900000000, 0.0111329200000000 ] - [ 0.0003078000000000, -0.0000741400000000, -0.0001921800000000 ] - [ 0.0001556200000000, -0.0001130100000000, 0.0000654400000000 ] - [ 0.0003353700000000, 0.0000573600000000, 0.0001837800000000 ] - [ 0.0001734700000000, 0.0001765000000000, 0.0000032800000000 ] - [ -0.0665025600000000, -0.0119609900000000, 0.0131389100000000 ] - [ -0.0000474000000000, 0.0001440400000000, -0.0000748900000000 ] - [ 0.0001074000000000, -0.0000528100000000, -0.0000875900000000 ] - [ -0.0000414500000000, -0.0004064700000000, 0.0002809200000000 ] - [ 0.0018622300000000, 0.0002284000000000, 0.0005192300000000 ] - [ -0.0074424200000000, -0.0092418100000000, 0.0047860100000000 ] - [ 0.0000876400000000, -0.0002811900000000, 0.0000872400000000 ] - [ 0.0000353000000000, 0.0001722100000000, -0.0000084100000000 ] - [ 0.0020858900000000, 0.0002191200000000, 0.0002038800000000 ] - [ 0.0000397100000000, -0.0000704200000000, -0.0000793000000000 ] - [ -0.0015429000000000, -0.0003272400000000, -0.0006230600000000 ] - [ -0.0000765700000000, 0.0000134700000000, 0.0000573600000000 ] - [ 0.0013766500000000, -0.0002924800000000, 0.0000618600000000 ] - [ -0.0000090300000000, -0.0000874200000000, 0.0001424100000000 ] - [ -0.0006411500000000, -0.0017621600000000, -0.0010610600000000 ] - [ 0.0001083100000000, 0.0000453800000000, -0.0000991300000000 ] - [ -0.0009344200000000, 0.0009717000000000, 0.0004023200000000 ] - [ -0.0001021600000000, -0.0000676500000000, -0.0000177800000000 ] - [ -0.0297313300000000, 0.0076869900000000, -0.0312552800000000 ] - [ -0.0000547000000000, -0.0000892100000000, 0.0000079200000000 ] - [ -0.0001293000000000, -0.0000529000000000, 0.0000247100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023925600000000, 0.0001477600000000, -0.0008704800000000 ] - [ -0.0006253800000000, 0.0031856000000000, 0.0020802400000000 ] - [ 0.0001288200000000, 0.0004725800000000, 0.0002792200000000 ] - [ 0.0058247300000000, -0.0009865800000000, 0.0026856400000000 ] - [ -0.0003544100000000, -0.0001373700000000, -0.0000613100000000 ] - [ 0.0000343800000000, 0.0009684500000000, 0.0001072800000000 ] - [ 0.0000784000000000, 0.0011592200000000, -0.0001425500000000 ] - [ 0.0001077400000000, 0.0008291300000000, -0.0001204800000000 ] - [ 0.0000914500000000, 0.0006136800000000, 0.0000865300000000 ] - [ -0.0005506100000000, 0.0028089500000000, 0.0003994000000000 ] - [ -0.0003161500000000, 0.0007624300000000, 0.0001782500000000 ] - [ -0.0002022600000000, 0.0005204000000000, 0.0000252100000000 ] - [ 0.0006968800000000, 0.0022286300000000, -0.0019132500000000 ] - [ 0.0000017800000000, 0.0005096700000000, -0.0000157900000000 ] - [ 0.0000462900000000, 0.0007682500000000, -0.0000878200000000 ] - [ -0.0001467400000000, 0.0007476900000000, -0.0002554500000000 ] - [ 0.0022792700000000, 0.0032086600000000, -0.0052150300000000 ] - [ -0.0001981400000000, 0.0005794500000000, -0.0000229700000000 ] - [ -0.0069923500000000, -0.0014685800000000, -0.0011100900000000 ] - [ -0.0001042400000000, 0.0007206800000000, 0.0002750700000000 ] - [ 0.0041737600000000, 0.0015518000000000, 0.0013963700000000 ] - [ -0.0003651100000000, -0.0006146100000000, -0.0000366600000000 ] - [ 0.0002677000000000, -0.0015119000000000, -0.0009528200000000 ] - [ -0.0000056900000000, 0.0010332100000000, 0.0001658000000000 ] - [ 0.0000376300000000, 0.0007812600000000, -0.0001823000000000 ] - [ 0.0002866000000000, -0.0000388100000000, 0.0001093900000000 ] - [ 0.0003538200000000, -0.0001127300000000, 0.0000670500000000 ] - [ 0.0008018800000000, -0.0058961400000000, -0.0028175500000000 ] - [ -0.0066626200000000, -0.1202225900000000, 0.0117328800000000 ] - [ -0.0000081700000000, 0.0005830900000000, 0.0000676000000000 ] - [ 0.0000720800000000, 0.0006320100000000, -0.0000256600000000 ] - [ -0.0000171500000000, 0.0010120200000000, -0.0001347700000000 ] - [ 0.0000119100000000, 0.0009821100000000, 0.0001206300000000 ] - [ 0.0001177900000000, 0.0010551700000000, -0.0002883000000000 ] - [ -0.0000505200000000, 0.0007600100000000, -0.0008843900000000 ] - [ -0.0000497100000000, 0.0004548700000000, -0.0001591500000000 ] - [ -0.0007926700000000, -0.0022898600000000, 0.0007679000000000 ] - [ 0.0000927300000000, -0.0006290700000000, -0.0005545800000000 ] - [ 0.0004540500000000, -0.0000460800000000, 0.0004245400000000 ] - [ 0.0004578300000000, -0.0026747600000000, -0.0015475600000000 ] - [ -0.0013519100000000, 0.0008481800000000, 0.0005211700000000 ] - [ -0.0005352300000000, 0.0004665900000000, 0.0002208900000000 ] - [ 0.0003522800000000, -0.0006657400000000, -0.0001627300000000 ] - [ 0.0000820600000000, -0.0005504200000000, 0.0001313100000000 ] - [ 0.0000691500000000, -0.0008880200000000, -0.0000198400000000 ] - [ -0.0009060700000000, 0.0005381400000000, 0.0002898700000000 ] - [ -0.0002113600000000, -0.0005137600000000, -0.0000433900000000 ] - [ -0.0003578200000000, -0.0002783000000000, -0.0000721800000000 ] - [ 0.0000496100000000, -0.0005952400000000, 0.0001730000000000 ] - [ -0.0000020500000000, -0.0003154100000000, 0.0000346400000000 ] - [ -0.0008531100000000, -0.0005471100000000, -0.0004825500000000 ] - [ -0.0007912200000000, 0.0011401200000000, 0.0012525100000000 ] - [ 0.0000255100000000, -0.0003252400000000, -0.0000334100000000 ] - [ -0.0002057500000000, -0.0013004000000000, -0.0002477300000000 ] - [ -0.0004661200000000, 0.0007996400000000, 0.0006174100000000 ] - [ 0.0002533300000000, -0.0007982300000000, 0.0002491100000000 ] - [ 0.0003240000000000, -0.0001477800000000, -0.0000986800000000 ] - [ 0.0001038100000000, -0.0009340500000000, -0.0001462000000000 ] - [ 0.0005828600000000, -0.0005044700000000, 0.0001896000000000 ] - [ -0.0008771000000000, -0.0010132300000000, 0.0003529200000000 ] - [ 0.0005532300000000, 0.0018761800000000, 0.0006585000000000 ] - [ -0.0002567000000000, 0.0001775400000000, 0.0003890800000000 ] - [ 0.0000361300000000, -0.0003643900000000, 0.0000077800000000 ] - [ 0.0010423000000000, -0.0003051400000000, 0.0008762600000000 ] - [ -0.0003922600000000, -0.0005196100000000, 0.0002053700000000 ] - [ -0.0001821300000000, -0.0009677700000000, -0.0001960800000000 ] - [ -0.0099787000000000, 0.0375099600000000, 0.0307948600000000 ] - [ 0.0003237100000000, -0.0003271900000000, -0.0001976200000000 ] - [ 0.0001611400000000, -0.0004228000000000, 0.0001206200000000 ] - [ 0.0004202700000000, -0.0005358600000000, 0.0001792900000000 ] - [ 0.0001280700000000, -0.0004475900000000, -0.0000190600000000 ] - [ 0.0110376400000000, 0.0103921900000000, -0.0026834800000000 ] - [ 0.0000203700000000, -0.0006301100000000, -0.0001692700000000 ] - [ 0.0000472300000000, -0.0004856100000000, -0.0001288100000000 ] - [ 0.0001661000000000, -0.0009301700000000, -0.0002781800000000 ] - [ 0.0003089700000000, 0.0009551000000000, -0.0002745900000000 ] - [ 0.0092436500000000, 0.0586511900000000, -0.0241052500000000 ] - [ 0.0007540800000000, -0.0005491700000000, -0.0001874100000000 ] - [ -0.0000200000000000, -0.0004431500000000, -0.0000017500000000 ] - [ 0.0010571100000000, 0.0002005500000000, 0.0001069700000000 ] - [ 0.0000670000000000, -0.0007801900000000, 0.0000216000000000 ] - [ 0.0006057300000000, 0.0026725600000000, 0.0005600400000000 ] - [ 0.0000418300000000, -0.0007279800000000, 0.0000936600000000 ] - [ -0.0000198200000000, 0.0018236500000000, 0.0001715900000000 ] - [ 0.0002618800000000, -0.0005668300000000, 0.0001273100000000 ] - [ 0.0013132800000000, 0.0007202400000000, -0.0011570300000000 ] - [ -0.0000751100000000, -0.0004908700000000, -0.0001359500000000 ] - [ -0.0003256400000000, 0.0010918600000000, -0.0012282200000000 ] - [ -0.0000382000000000, -0.0007762300000000, 0.0000284300000000 ] - [ -0.0079076400000000, 0.0086404200000000, -0.0098960100000000 ] - [ -0.0000561300000000, -0.0007235200000000, -0.0000152000000000 ] - [ -0.0002052800000000, -0.0005801900000000, 0.0000368100000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023464100000000, 0.0004572000000000, 0.0006010300000000 ] - [ 0.0008011100000000, -0.0033734500000000, -0.0018978100000000 ] - [ -0.0001828300000000, -0.0010777900000000, -0.0000014300000000 ] - [ -0.0059969100000000, 0.0009402900000000, -0.0030405900000000 ] - [ 0.0004068500000000, -0.0004631900000000, 0.0003442200000000 ] - [ 0.0001375100000000, -0.0007600400000000, 0.0000826800000000 ] - [ -0.0000234800000000, -0.0005504100000000, -0.0001367700000000 ] - [ 0.0000627200000000, -0.0006198200000000, -0.0000695800000000 ] - [ 0.0001061900000000, -0.0006529100000000, 0.0002704300000000 ] - [ 0.0008616800000000, -0.0028035800000000, -0.0006519200000000 ] - [ 0.0000083200000000, -0.0007596200000000, 0.0000633600000000 ] - [ 0.0001485900000000, -0.0011234000000000, -0.0003038700000000 ] - [ -0.0006456700000000, -0.0028421700000000, 0.0016532100000000 ] - [ -0.0003112500000000, -0.0005074500000000, -0.0002262600000000 ] - [ 0.0001516600000000, -0.0008072000000000, -0.0002688900000000 ] - [ -0.0000504300000000, -0.0007040600000000, -0.0001017000000000 ] - [ -0.0024773200000000, -0.0030412300000000, 0.0051045700000000 ] - [ 0.0000271000000000, -0.0007829000000000, 0.0002116700000000 ] - [ 0.0067737700000000, 0.0014198900000000, 0.0014537500000000 ] - [ -0.0000928100000000, -0.0006769600000000, 0.0000819000000000 ] - [ -0.0042489500000000, -0.0009530100000000, -0.0011335200000000 ] - [ 0.0001923900000000, 0.0008181200000000, 0.0002248500000000 ] - [ -0.0000717200000000, 0.0015484600000000, 0.0013111700000000 ] - [ 0.0000604700000000, -0.0004238200000000, 0.0001137200000000 ] - [ -0.0002070300000000, -0.0009857600000000, -0.0000065600000000 ] - [ 0.0000200200000000, 0.0000393900000000, 0.0001340300000000 ] - [ -0.0001831200000000, -0.0000908400000000, -0.0002576400000000 ] - [ -0.0006025100000000, 0.0059315000000000, 0.0024602000000000 ] - [ 0.0057533100000000, 0.1189862000000000, -0.0090122700000000 ] - [ -0.0000171100000000, -0.0010668900000000, 0.0001843700000000 ] - [ 0.0000800100000000, -0.0006277300000000, 0.0001753800000000 ] - [ 0.0000438800000000, -0.0005244000000000, -0.0001170600000000 ] - [ 0.0000146000000000, -0.0004939500000000, 0.0001410300000000 ] - [ 0.0000337200000000, -0.0010546200000000, 0.0001400700000000 ] - [ -0.0000947900000000, -0.0007488100000000, 0.0007332900000000 ] - [ 0.0000237100000000, -0.0009370800000000, -0.0001020900000000 ] - [ 0.0008168300000000, 0.0018051300000000, -0.0010125600000000 ] - [ -0.0001161600000000, 0.0011123800000000, 0.0003011000000000 ] - [ -0.0006049100000000, 0.0000471900000000, -0.0002750900000000 ] - [ -0.0004267400000000, 0.0021872600000000, 0.0017995100000000 ] - [ 0.0006319900000000, -0.0006275500000000, -0.0008851400000000 ] - [ -0.0001776700000000, -0.0002456300000000, 0.0001443500000000 ] - [ 0.0003642900000000, 0.0008845700000000, -0.0002027500000000 ] - [ -0.0000369200000000, 0.0003546200000000, 0.0000291100000000 ] - [ -0.0000362200000000, 0.0006761600000000, 0.0001673500000000 ] - [ 0.0011151600000000, -0.0006765400000000, -0.0002460400000000 ] - [ -0.0000050500000000, 0.0003748000000000, -0.0000022000000000 ] - [ 0.0002554300000000, 0.0002808700000000, 0.0003263100000000 ] - [ -0.0000817000000000, 0.0008079700000000, -0.0000243500000000 ] - [ -0.0000421400000000, 0.0005132900000000, 0.0001251400000000 ] - [ 0.0002314200000000, 0.0005489000000000, 0.0000688300000000 ] - [ 0.0007314600000000, -0.0013414500000000, -0.0010870700000000 ] - [ -0.0000702300000000, 0.0005231800000000, -0.0001269300000000 ] - [ 0.0009238700000000, 0.0010852100000000, -0.0001141300000000 ] - [ 0.0002559700000000, -0.0006563300000000, -0.0006633500000000 ] - [ 0.0003676600000000, 0.0008003000000000, 0.0001646200000000 ] - [ -0.0005842500000000, 0.0001495400000000, -0.0001664700000000 ] - [ 0.0001568000000000, 0.0009357800000000, -0.0001212600000000 ] - [ 0.0001339200000000, 0.0002848900000000, 0.0001758400000000 ] - [ 0.0006188700000000, 0.0010245900000000, -0.0000892600000000 ] - [ -0.0005945300000000, -0.0020843500000000, -0.0005126900000000 ] - [ 0.0001009600000000, 0.0000195000000000, -0.0003731800000000 ] - [ 0.0001814900000000, 0.0005054500000000, 0.0000374800000000 ] - [ -0.0012007700000000, 0.0005001300000000, -0.0009001900000000 ] - [ -0.0003212600000000, 0.0003027100000000, 0.0001599800000000 ] - [ -0.0005339400000000, 0.0007479100000000, -0.0001692500000000 ] - [ 0.0105047000000000, -0.0385262600000000, -0.0318915700000000 ] - [ 0.0002985000000000, 0.0003275500000000, -0.0002159300000000 ] - [ 0.0001013400000000, 0.0004228100000000, 0.0001435200000000 ] - [ 0.0002953600000000, 0.0007537500000000, 0.0001861300000000 ] - [ 0.0000274600000000, 0.0006446800000000, 0.0000023600000000 ] - [ -0.0107185600000000, -0.0104130400000000, 0.0026116300000000 ] - [ -0.0000528300000000, 0.0008432800000000, 0.0000213900000000 ] - [ -0.0000013900000000, 0.0002897700000000, -0.0000312100000000 ] - [ -0.0002730000000000, 0.0009325800000000, 0.0000144000000000 ] - [ -0.0002614200000000, -0.0007553000000000, 0.0001128700000000 ] - [ -0.0087295900000000, -0.0561982200000000, 0.0230112400000000 ] - [ -0.0013645300000000, 0.0005455100000000, 0.0005956100000000 ] - [ 0.0002370000000000, 0.0005849700000000, -0.0000432100000000 ] - [ -0.0008998800000000, -0.0003927800000000, -0.0001239100000000 ] - [ -0.0000337700000000, 0.0005688900000000, -0.0001701100000000 ] - [ -0.0006324200000000, -0.0028829300000000, -0.0006995900000000 ] - [ 0.0001128600000000, 0.0009243700000000, -0.0000764400000000 ] - [ 0.0000539000000000, -0.0016066300000000, -0.0003175000000000 ] - [ -0.0001572600000000, 0.0005661400000000, 0.0001251700000000 ] - [ -0.0013495700000000, -0.0009252200000000, 0.0009811100000000 ] - [ 0.0001794900000000, 0.0004921400000000, -0.0001172400000000 ] - [ 0.0001125500000000, -0.0009603500000000, 0.0012592800000000 ] - [ -0.0001163100000000, 0.0005808600000000, -0.0000454400000000 ] - [ 0.0078753700000000, -0.0083142400000000, 0.0099426400000000 ] - [ -0.0000981700000000, 0.0005282100000000, 0.0000317000000000 ] - [ -0.0000115400000000, 0.0004410000000000, 0.0000084500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013529300000000, -0.0025062900000000, -0.0031155700000000 ] - [ 0.0006964400000000, -0.0013325500000000, -0.0017364700000000 ] - [ 0.0000692700000000, -0.0003403500000000, 0.0002154600000000 ] - [ 0.0011156000000000, 0.0036455200000000, -0.0033474200000000 ] - [ 0.0000438900000000, -0.0000646100000000, 0.0000476800000000 ] - [ 0.0001056900000000, 0.0001030000000000, 0.0000426600000000 ] - [ 0.0000059800000000, 0.0002992500000000, -0.0000964700000000 ] - [ 0.0000683200000000, 0.0001284700000000, -0.0000730500000000 ] - [ 0.0001162900000000, -0.0000455400000000, 0.0001717300000000 ] - [ -0.0005502200000000, 0.0032693000000000, 0.0000636900000000 ] - [ -0.0001096500000000, 0.0001345800000000, 0.0001563500000000 ] - [ -0.0000595800000000, -0.0003988400000000, -0.0001287900000000 ] - [ -0.0001041100000000, -0.0002358000000000, 0.0008683900000000 ] - [ -0.0002203000000000, 0.0001265800000000, -0.0002511600000000 ] - [ 0.0000519600000000, 0.0000207000000000, -0.0001381400000000 ] - [ -0.0001272700000000, -0.0000012400000000, -0.0001833600000000 ] - [ -0.0039483100000000, -0.0068388900000000, 0.0038821700000000 ] - [ -0.0000861900000000, -0.0002271000000000, 0.0000686200000000 ] - [ 0.0040611600000000, -0.0004563900000000, 0.0004040200000000 ] - [ -0.0000621900000000, 0.0000221500000000, 0.0001885800000000 ] - [ 0.0043685300000000, 0.0004640800000000, -0.0003998300000000 ] - [ -0.0001525300000000, -0.0001954500000000, 0.0003853900000000 ] - [ 0.0001837000000000, -0.0000636100000000, 0.0004926600000000 ] - [ 0.0000526900000000, 0.0003325900000000, 0.0001193200000000 ] - [ -0.0001590500000000, -0.0001717700000000, -0.0000703800000000 ] - [ 0.0003109800000000, -0.0004237000000000, 0.0001104300000000 ] - [ 0.0000081400000000, 0.0001857900000000, 0.0000456300000000 ] - [ -0.0021176400000000, -0.0006459700000000, 0.0074000200000000 ] - [ -0.0071772100000000, 0.0112232100000000, -0.1192854100000000 ] - [ 0.0000226800000000, -0.0001826000000000, -0.0001482500000000 ] - [ 0.0000692700000000, 0.0000633000000000, 0.0000365200000000 ] - [ 0.0000079400000000, 0.0002516400000000, -0.0001306500000000 ] - [ 0.0000072500000000, 0.0002328900000000, 0.0001402400000000 ] - [ 0.0001072900000000, -0.0002500800000000, 0.0001667700000000 ] - [ -0.0002015000000000, -0.0004100700000000, -0.0001536300000000 ] - [ -0.0000198000000000, -0.0002695400000000, -0.0001332300000000 ] - [ -0.0015439800000000, 0.0006630800000000, 0.0013876700000000 ] - [ -0.0012371200000000, 0.0006709300000000, -0.0007950400000000 ] - [ 0.0001560100000000, -0.0003852200000000, 0.0001504500000000 ] - [ -0.0003412300000000, 0.0014284000000000, 0.0007677400000000 ] - [ -0.0010378700000000, 0.0015578500000000, -0.0002034800000000 ] - [ 0.0000667400000000, 0.0002204900000000, 0.0001472600000000 ] - [ 0.0003733000000000, 0.0001688200000000, -0.0001803600000000 ] - [ 0.0000359300000000, -0.0000495800000000, 0.0001001000000000 ] - [ 0.0000097200000000, -0.0002081800000000, 0.0001060800000000 ] - [ -0.0004488500000000, -0.0005452700000000, 0.0010893400000000 ] - [ -0.0001020100000000, -0.0000769100000000, -0.0000173800000000 ] - [ -0.0002161400000000, -0.0000425900000000, -0.0000097400000000 ] - [ -0.0000017900000000, 0.0001242100000000, 0.0000773600000000 ] - [ -0.0000056500000000, 0.0001034900000000, 0.0000832500000000 ] - [ -0.0007520600000000, 0.0001659100000000, -0.0009317700000000 ] - [ -0.0001328200000000, -0.0005081700000000, -0.0001504900000000 ] - [ -0.0000405500000000, 0.0000942600000000, -0.0000848900000000 ] - [ 0.0009350300000000, 0.0004417200000000, -0.0000124500000000 ] - [ -0.0002483800000000, -0.0004054300000000, -0.0003432800000000 ] - [ 0.0003548500000000, 0.0001722800000000, 0.0001004000000000 ] - [ 0.0003655900000000, 0.0006690400000000, 0.0006605300000000 ] - [ 0.0002028500000000, -0.0000111500000000, 0.0000437800000000 ] - [ 0.0002153000000000, -0.0001042600000000, 0.0001702300000000 ] - [ -0.0006194800000000, 0.0001057500000000, 0.0009144900000000 ] - [ -0.0004384100000000, -0.0016835200000000, -0.0008838700000000 ] - [ -0.0001862400000000, -0.0002695000000000, -0.0001814600000000 ] - [ 0.0001145600000000, 0.0001295100000000, 0.0000266400000000 ] - [ -0.0000130300000000, -0.0002349400000000, -0.0002812400000000 ] - [ -0.0004488600000000, -0.0000215800000000, 0.0001885500000000 ] - [ -0.0001648800000000, -0.0001902900000000, -0.0004400800000000 ] - [ -0.0105324000000000, 0.0291820900000000, 0.0370697100000000 ] - [ 0.0003624900000000, -0.0000881100000000, -0.0002011500000000 ] - [ 0.0001311600000000, -0.0001409700000000, 0.0000949900000000 ] - [ 0.0003506500000000, 0.0000959200000000, 0.0001717300000000 ] - [ 0.0000502600000000, 0.0001484800000000, 0.0000042800000000 ] - [ -0.0125237200000000, -0.0027184900000000, 0.0110595300000000 ] - [ -0.0000248600000000, 0.0000988700000000, -0.0000869800000000 ] - [ 0.0000186500000000, -0.0000688700000000, -0.0000930800000000 ] - [ -0.0000466200000000, 0.0007241800000000, -0.0001946200000000 ] - [ 0.0004568900000000, 0.0001342400000000, 0.0000077000000000 ] - [ -0.0042585800000000, -0.0234270900000000, 0.0178513200000000 ] - [ 0.0000631700000000, 0.0001697500000000, -0.0001451200000000 ] - [ 0.0000748300000000, 0.0000766600000000, 0.0000077100000000 ] - [ 0.0009552600000000, 0.0000594700000000, -0.0002154600000000 ] - [ 0.0000178000000000, -0.0000929100000000, -0.0000747900000000 ] - [ 0.0006244900000000, -0.0001303700000000, -0.0023670000000000 ] - [ -0.0000915800000000, -0.0003571800000000, 0.0002202800000000 ] - [ 0.0002378000000000, 0.0002675600000000, 0.0003556100000000 ] - [ -0.0001040200000000, 0.0000235700000000, 0.0001698600000000 ] - [ -0.0001857700000000, -0.0005995000000000, -0.0000506700000000 ] - [ 0.0000594900000000, -0.0000502200000000, -0.0001602600000000 ] - [ 0.0004573100000000, -0.0011943200000000, -0.0004433700000000 ] - [ -0.0000879200000000, -0.0001108900000000, -0.0000156800000000 ] - [ 0.0316050100000000, -0.0092533900000000, 0.0498961100000000 ] - [ -0.0000752300000000, -0.0001054800000000, 0.0000056000000000 ] - [ -0.0001155000000000, -0.0000648200000000, 0.0000208800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0014058000000000, 0.0031079100000000, 0.0028482300000000 ] - [ -0.0005281000000000, 0.0011334700000000, 0.0019213500000000 ] - [ -0.0001245400000000, -0.0002662600000000, 0.0000631200000000 ] - [ -0.0013264900000000, -0.0036947600000000, 0.0029789400000000 ] - [ 0.0000079200000000, -0.0005405300000000, 0.0002340900000000 ] - [ 0.0000643500000000, 0.0001047300000000, 0.0001464000000000 ] - [ 0.0000472400000000, 0.0003092600000000, -0.0001816200000000 ] - [ 0.0001007100000000, 0.0000797800000000, -0.0001155800000000 ] - [ 0.0000794400000000, 0.0000053200000000, 0.0001855000000000 ] - [ 0.0008591000000000, -0.0032695600000000, -0.0003170500000000 ] - [ -0.0002014400000000, -0.0001320300000000, 0.0000863800000000 ] - [ 0.0000042100000000, -0.0002062100000000, -0.0001478100000000 ] - [ 0.0001561900000000, -0.0003753700000000, -0.0011349100000000 ] - [ -0.0000900200000000, -0.0001256400000000, 0.0000096500000000 ] - [ 0.0001440000000000, -0.0000602900000000, -0.0002183800000000 ] - [ -0.0000712100000000, 0.0000432600000000, -0.0001733800000000 ] - [ 0.0037573500000000, 0.0069819200000000, -0.0040457600000000 ] - [ -0.0000866700000000, 0.0000215200000000, 0.0001186900000000 ] - [ -0.0042737800000000, 0.0004258300000000, -0.0000305100000000 ] - [ -0.0001361500000000, 0.0000199400000000, 0.0001688100000000 ] - [ -0.0044297500000000, 0.0001338700000000, 0.0006874600000000 ] - [ -0.0000240200000000, 0.0003980300000000, -0.0002005500000000 ] - [ 0.0000044800000000, 0.0001023700000000, -0.0001417900000000 ] - [ 0.0000001600000000, 0.0002759400000000, 0.0001597500000000 ] - [ -0.0000123200000000, -0.0000340100000000, -0.0001181300000000 ] - [ -0.0000045700000000, 0.0004232400000000, 0.0001332700000000 ] - [ 0.0001612800000000, -0.0003924700000000, -0.0002355000000000 ] - [ 0.0023533700000000, 0.0006817200000000, -0.0078052300000000 ] - [ 0.0053856800000000, -0.0095140100000000, 0.1189836100000000 ] - [ -0.0000496700000000, -0.0003011000000000, 0.0004010800000000 ] - [ 0.0000795400000000, -0.0000610900000000, 0.0001130000000000 ] - [ 0.0000167700000000, 0.0002344500000000, -0.0001214800000000 ] - [ 0.0000172400000000, 0.0002540000000000, 0.0001220200000000 ] - [ 0.0000408000000000, 0.0002509700000000, -0.0003157500000000 ] - [ 0.0000552100000000, 0.0004277400000000, 0.0000071000000000 ] - [ -0.0000075300000000, -0.0002131500000000, -0.0001282700000000 ] - [ 0.0015604800000000, -0.0011196100000000, -0.0016443500000000 ] - [ 0.0012167600000000, -0.0001838900000000, 0.0005465900000000 ] - [ -0.0003073900000000, 0.0003835600000000, -0.0000007900000000 ] - [ 0.0003713100000000, -0.0019189900000000, -0.0005148900000000 ] - [ 0.0003188700000000, -0.0013610600000000, -0.0001558400000000 ] - [ -0.0007804300000000, 0.0000012300000000, 0.0002181700000000 ] - [ 0.0003413300000000, 0.0000493200000000, -0.0001849900000000 ] - [ 0.0000081600000000, -0.0001469200000000, 0.0000614000000000 ] - [ 0.0000214800000000, -0.0000056800000000, 0.0000411900000000 ] - [ 0.0006518500000000, 0.0004030500000000, -0.0010427500000000 ] - [ -0.0001152800000000, -0.0000633900000000, -0.0000276700000000 ] - [ 0.0001117200000000, 0.0000446600000000, 0.0002650100000000 ] - [ -0.0000317800000000, 0.0000883100000000, 0.0000711100000000 ] - [ -0.0000407000000000, 0.0000927800000000, 0.0000777600000000 ] - [ 0.0001297800000000, -0.0001633100000000, 0.0005179600000000 ] - [ 0.0000812700000000, 0.0003101200000000, 0.0003126100000000 ] - [ -0.0000062000000000, 0.0001020000000000, -0.0000759600000000 ] - [ -0.0002206200000000, -0.0006609300000000, -0.0003511500000000 ] - [ 0.0000352800000000, 0.0005499700000000, 0.0002994000000000 ] - [ 0.0002638200000000, -0.0001718800000000, 0.0003133100000000 ] - [ -0.0006289000000000, -0.0006652400000000, -0.0009213100000000 ] - [ 0.0000566100000000, 0.0000106200000000, -0.0003095700000000 ] - [ 0.0005000200000000, -0.0001158800000000, 0.0001962600000000 ] - [ 0.0003569700000000, -0.0001013600000000, -0.0006517900000000 ] - [ 0.0004020100000000, 0.0014782300000000, 0.0010303800000000 ] - [ 0.0000276000000000, 0.0004666400000000, 0.0001975300000000 ] - [ 0.0001006000000000, 0.0000108700000000, 0.0000186500000000 ] - [ -0.0001422300000000, 0.0004263100000000, 0.0002619400000000 ] - [ -0.0002667200000000, -0.0001964200000000, 0.0001775800000000 ] - [ -0.0005530700000000, -0.0000313200000000, 0.0000753900000000 ] - [ 0.0110569500000000, -0.0304884300000000, -0.0378249500000000 ] - [ 0.0002570500000000, 0.0000879000000000, -0.0002119100000000 ] - [ 0.0001298200000000, 0.0001408400000000, 0.0001696200000000 ] - [ 0.0003637900000000, 0.0001214500000000, 0.0001942100000000 ] - [ 0.0001033700000000, 0.0000476000000000, -0.0000204000000000 ] - [ 0.0128391500000000, 0.0025935500000000, -0.0112059000000000 ] - [ -0.0000091500000000, 0.0001139000000000, -0.0000601200000000 ] - [ 0.0000257800000000, -0.0001275800000000, -0.0000674700000000 ] - [ -0.0000607500000000, -0.0007235900000000, -0.0000696200000000 ] - [ -0.0004089700000000, 0.0000617900000000, -0.0001682500000000 ] - [ 0.0043653400000000, 0.0240242400000000, -0.0176981700000000 ] - [ -0.0006740200000000, -0.0001746400000000, 0.0005521900000000 ] - [ 0.0001397800000000, 0.0000638700000000, -0.0000521600000000 ] - [ -0.0008029100000000, -0.0002560900000000, 0.0001976300000000 ] - [ 0.0000135900000000, -0.0001202200000000, -0.0000730000000000 ] - [ -0.0006466200000000, -0.0000971400000000, 0.0022240100000000 ] - [ 0.0002452200000000, 0.0005540100000000, -0.0002034800000000 ] - [ -0.0002073700000000, -0.0000523600000000, -0.0005023100000000 ] - [ 0.0002073500000000, -0.0000245100000000, 0.0000840200000000 ] - [ 0.0001428800000000, 0.0004008100000000, -0.0001091900000000 ] - [ 0.0000433200000000, 0.0000504200000000, -0.0000935600000000 ] - [ -0.0006714600000000, 0.0013229000000000, 0.0004808600000000 ] - [ -0.0000681400000000, -0.0000857900000000, -0.0000006300000000 ] - [ -0.0302266400000000, 0.0089934000000000, -0.0483146900000000 ] - [ -0.0000807300000000, -0.0000909700000000, 0.0000109100000000 ] - [ -0.0001021800000000, -0.0000759600000000, 0.0000244400000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000140600000000, 0.0003385100000000, -0.0001218200000000 ] - [ 0.0039229500000000, -0.0028386100000000, 0.0004834700000000 ] - [ -0.0000711400000000, -0.0002558600000000, 0.0001384600000000 ] - [ 0.0000164500000000, 0.0004434200000000, -0.0002046900000000 ] - [ -0.0042590300000000, 0.0031709300000000, -0.0039277000000000 ] - [ 0.0039229500000000, 0.0028386100000000, 0.0004834700000000 ] - [ 0.0008024500000000, 0.0003790100000000, -0.0002299300000000 ] - [ 0.0001573000000000, -0.0049264900000000, 0.0041383500000000 ] - [ -0.0001240500000000, 0.0000389800000000, 0.0002459100000000 ] - [ 0.0001782300000000, 0.0000000000000000, -0.0001278200000000 ] - [ 0.0001711300000000, 0.0000000000000000, -0.0000048800000000 ] - [ 0.0000140600000000, -0.0003385100000000, -0.0001218200000000 ] - [ 0.0008024500000000, -0.0003790100000000, -0.0002299300000000 ] - [ 0.0039710100000000, 0.0000000000000000, -0.0031438000000000 ] - [ 0.0003171800000000, -0.0001003300000000, -0.0001365500000000 ] - [ 0.0000164500000000, -0.0004434200000000, -0.0002046900000000 ] - [ -0.0000560700000000, 0.0000429400000000, -0.0001021100000000 ] - [ -0.0001021400000000, -0.0001636900000000, 0.0000700700000000 ] - [ 0.0003741700000000, -0.0011194100000000, 0.0001269800000000 ] - [ 0.0003741700000000, 0.0011194100000000, 0.0001269800000000 ] - [ -0.0000711400000000, 0.0002558600000000, 0.0001384600000000 ] - [ -0.0001021400000000, 0.0001636900000000, 0.0000700700000000 ] - [ -0.0001240500000000, -0.0000389800000000, 0.0002459100000000 ] - [ -0.0042590300000000, -0.0031709300000000, -0.0039277000000000 ] - [ -0.0000560700000000, -0.0000429400000000, -0.0001021100000000 ] - [ 0.0001323900000000, 0.0000000000000000, 0.0001184600000000 ] - [ 0.0001573000000000, 0.0049264900000000, 0.0041383500000000 ] - [ 0.0003171800000000, 0.0001003300000000, -0.0001365500000000 ] - [ 0.0000306100000000, 0.0002380100000000, 0.0001231200000000 ] - [ 0.0000306100000000, -0.0002380100000000, 0.0001231200000000 ] - [ -0.1114362000000000, 0.0000000000000000, -0.0004263400000000 ] - [ 0.0003817700000000, 0.0002206500000000, -0.0002575000000000 ] - [ -0.0007120800000000, -0.0002854700000000, -0.0001033200000000 ] - [ 0.0044787900000000, 0.0000000000000000, 0.0016831600000000 ] - [ -0.0000616800000000, 0.0000000000000000, -0.0000588100000000 ] - [ 0.0000512200000000, -0.0002833500000000, -0.0001625400000000 ] - [ 0.0003817700000000, -0.0002206500000000, -0.0002575000000000 ] - [ 0.0000512200000000, 0.0002833500000000, -0.0001625400000000 ] - [ -0.0000858200000000, 0.0000000000000000, 0.0000862600000000 ] - [ -0.0007120800000000, 0.0002854700000000, -0.0001033200000000 ] - [ -0.0003783600000000, 0.0000983900000000, -0.0001891300000000 ] - [ -0.0003388900000000, 0.0001195000000000, 0.0001702900000000 ] - [ -0.0019434500000000, 0.0008334000000000, -0.0004519200000000 ] - [ -0.0000500400000000, -0.0001018000000000, 0.0000771200000000 ] - [ -0.0001639300000000, -0.0001641100000000, 0.0001251500000000 ] - [ 0.0001573900000000, -0.0001176100000000, 0.0000343700000000 ] - [ 0.0005526700000000, 0.0004553300000000, 0.0004760600000000 ] - [ -0.0000313000000000, 0.0000000000000000, 0.0001264600000000 ] - [ 0.0000930300000000, 0.0004085300000000, 0.0000770400000000 ] - [ -0.0003703900000000, 0.0003992800000000, 0.0001047800000000 ] - [ -0.0002995300000000, 0.0000000000000000, -0.0002072100000000 ] - [ -0.0003703900000000, -0.0003992800000000, 0.0001047800000000 ] - [ 0.0000584400000000, -0.0001948700000000, -0.0005546200000000 ] - [ -0.0019434500000000, -0.0008334000000000, -0.0004519200000000 ] - [ 0.0005526700000000, -0.0004553300000000, 0.0004760600000000 ] - [ -0.0022572600000000, 0.0000000000000000, -0.0000433500000000 ] - [ -0.0001385400000000, 0.0000000000000000, -0.0001285900000000 ] - [ -0.0004745200000000, 0.0000000000000000, 0.0004974900000000 ] - [ 0.0092685400000000, -0.0136394600000000, -0.0084311900000000 ] - [ -0.0001248400000000, 0.0000000000000000, 0.0001343600000000 ] - [ 0.0000930300000000, -0.0004085300000000, 0.0000770400000000 ] - [ 0.0000683400000000, -0.0009230400000000, 0.0004667300000000 ] - [ 0.0001573900000000, 0.0001176100000000, 0.0000343700000000 ] - [ -0.0000649900000000, 0.0000405600000000, -0.0007292500000000 ] - [ -0.0003388900000000, -0.0001195000000000, 0.0001702900000000 ] - [ -0.0003783600000000, -0.0000983900000000, -0.0001891300000000 ] - [ 0.0000475000000000, -0.0000791400000000, -0.0000058700000000 ] - [ 0.0654797100000000, 0.0000000000000000, -0.0101187600000000 ] - [ 0.0022960400000000, 0.0000000000000000, 0.0003204100000000 ] - [ 0.0092685400000000, 0.0136394600000000, -0.0084311900000000 ] - [ 0.0000906300000000, 0.0001217900000000, -0.0000270700000000 ] - [ 0.0000313800000000, 0.0000491800000000, -0.0000496900000000 ] - [ -0.0001013200000000, -0.0001178900000000, -0.0000834900000000 ] - [ 0.0001307300000000, -0.0000614700000000, -0.0000532200000000 ] - [ -0.0000692600000000, 0.0000000000000000, -0.0001235900000000 ] - [ 0.0001307300000000, 0.0000614700000000, -0.0000532200000000 ] - [ -0.0001639300000000, 0.0001641100000000, 0.0001251500000000 ] - [ -0.0003214500000000, 0.0000000000000000, 0.0002059500000000 ] - [ 0.0000313800000000, -0.0000491800000000, -0.0000496900000000 ] - [ 0.0000906300000000, -0.0001217900000000, -0.0000270700000000 ] - [ 0.0002689600000000, -0.0000102900000000, -0.0001398700000000 ] - [ -0.0001013200000000, 0.0001178900000000, -0.0000834900000000 ] - [ 0.0000475000000000, 0.0000791400000000, -0.0000058700000000 ] - [ 0.0002689600000000, 0.0000102900000000, -0.0001398700000000 ] - [ 0.0242488800000000, 0.0000000000000000, 0.0302159300000000 ] - [ 0.0000584400000000, 0.0001948700000000, -0.0005546200000000 ] - [ -0.0012284700000000, 0.0000000000000000, -0.0005715900000000 ] - [ -0.0003135400000000, 0.0002563900000000, -0.0001132700000000 ] - [ -0.0000649900000000, -0.0000405600000000, -0.0007292500000000 ] - [ -0.0000500400000000, 0.0001018000000000, 0.0000771200000000 ] - [ 0.0000683400000000, 0.0009230400000000, 0.0004667300000000 ] - [ -0.0003135400000000, -0.0002563900000000, -0.0001132700000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000672400000000, 0.0002682600000000, -0.0001572600000000 ] - [ -0.0037299100000000, 0.0026009800000000, -0.0002814700000000 ] - [ 0.0000184500000000, -0.0003515000000000, 0.0001397400000000 ] - [ -0.0002134300000000, -0.0004838000000000, -0.0001526900000000 ] - [ 0.0043376500000000, -0.0037778600000000, 0.0041912100000000 ] - [ -0.0037299100000000, -0.0026009800000000, -0.0002814700000000 ] - [ -0.0007487000000000, 0.0002355800000000, -0.0000539600000000 ] - [ 0.0000046900000000, 0.0051611200000000, -0.0043428600000000 ] - [ 0.0003230100000000, -0.0000782800000000, 0.0001108100000000 ] - [ 0.0001320500000000, 0.0000000000000000, -0.0001142200000000 ] - [ -0.0004831000000000, 0.0000000000000000, 0.0002463200000000 ] - [ -0.0000672400000000, -0.0002682600000000, -0.0001572600000000 ] - [ -0.0007487000000000, -0.0002355800000000, -0.0000539600000000 ] - [ -0.0042802600000000, 0.0000000000000000, 0.0028803700000000 ] - [ -0.0001208400000000, 0.0000611500000000, -0.0002208500000000 ] - [ -0.0002134300000000, 0.0004838000000000, -0.0001526900000000 ] - [ -0.0001138100000000, 0.0001641400000000, -0.0000868600000000 ] - [ -0.0000670000000000, -0.0000428900000000, 0.0001183600000000 ] - [ -0.0005670700000000, 0.0010881100000000, 0.0002300600000000 ] - [ -0.0005670700000000, -0.0010881100000000, 0.0002300600000000 ] - [ 0.0000184500000000, 0.0003515000000000, 0.0001397400000000 ] - [ -0.0000670000000000, 0.0000428900000000, 0.0001183600000000 ] - [ 0.0003230100000000, 0.0000782800000000, 0.0001108100000000 ] - [ 0.0043376500000000, 0.0037778600000000, 0.0041912100000000 ] - [ -0.0001138100000000, -0.0001641400000000, -0.0000868600000000 ] - [ 0.0001785800000000, 0.0000000000000000, 0.0001229700000000 ] - [ 0.0000046900000000, -0.0051611200000000, -0.0043428600000000 ] - [ -0.0001208400000000, -0.0000611500000000, -0.0002208500000000 ] - [ -0.0000562300000000, 0.0002480800000000, 0.0001343400000000 ] - [ -0.0000562300000000, -0.0002480800000000, 0.0001343400000000 ] - [ 0.1145691800000000, 0.0000000000000000, -0.0009261100000000 ] - [ -0.0003552500000000, 0.0002653200000000, -0.0000013100000000 ] - [ 0.0007405600000000, 0.0007743200000000, 0.0003609300000000 ] - [ -0.0042893000000000, 0.0000000000000000, -0.0018068900000000 ] - [ -0.0000880300000000, 0.0000000000000000, -0.0000915500000000 ] - [ -0.0000761900000000, -0.0002006900000000, -0.0000967300000000 ] - [ -0.0003552500000000, -0.0002653200000000, -0.0000013100000000 ] - [ -0.0000761900000000, 0.0002006900000000, -0.0000967300000000 ] - [ -0.0000635600000000, 0.0000000000000000, 0.0000632200000000 ] - [ 0.0007405600000000, -0.0007743200000000, 0.0003609300000000 ] - [ -0.0003363900000000, 0.0001204000000000, -0.0001768400000000 ] - [ -0.0003760000000000, 0.0000991800000000, 0.0001950500000000 ] - [ 0.0026471600000000, -0.0006074300000000, 0.0000809600000000 ] - [ 0.0000973900000000, -0.0000945500000000, 0.0000843000000000 ] - [ 0.0001987000000000, -0.0000506500000000, 0.0000222700000000 ] - [ 0.0000590500000000, -0.0000226100000000, 0.0000100700000000 ] - [ -0.0007687800000000, -0.0006003100000000, -0.0005189600000000 ] - [ -0.0000717400000000, 0.0000000000000000, 0.0001277300000000 ] - [ -0.0001246600000000, -0.0001951300000000, 0.0000697800000000 ] - [ 0.0003272800000000, -0.0002064600000000, 0.0000565800000000 ] - [ -0.0003192800000000, 0.0000000000000000, -0.0002061200000000 ] - [ 0.0003272800000000, 0.0002064600000000, 0.0000565800000000 ] - [ -0.0001021500000000, 0.0003877500000000, 0.0003918600000000 ] - [ 0.0026471600000000, 0.0006074300000000, 0.0000809600000000 ] - [ -0.0007687800000000, 0.0006003100000000, -0.0005189600000000 ] - [ 0.0028428200000000, 0.0000000000000000, 0.0004595800000000 ] - [ -0.0001232300000000, 0.0000000000000000, -0.0001359800000000 ] - [ 0.0007432500000000, 0.0000000000000000, -0.0007633200000000 ] - [ -0.0087235700000000, 0.0135171700000000, 0.0088677500000000 ] - [ -0.0001357700000000, 0.0000000000000000, 0.0001297000000000 ] - [ -0.0001246600000000, 0.0001951300000000, 0.0000697800000000 ] - [ -0.0002198900000000, 0.0011252500000000, -0.0004540000000000 ] - [ 0.0000590500000000, 0.0000226100000000, 0.0000100700000000 ] - [ -0.0000935900000000, 0.0001600500000000, 0.0007209300000000 ] - [ -0.0003760000000000, -0.0000991800000000, 0.0001950500000000 ] - [ -0.0003363900000000, -0.0001204000000000, -0.0001768400000000 ] - [ 0.0001086500000000, -0.0001174700000000, 0.0000218800000000 ] - [ -0.0678221200000000, 0.0000000000000000, 0.0103707800000000 ] - [ -0.0020342200000000, 0.0000000000000000, -0.0000649500000000 ] - [ -0.0087235700000000, -0.0135171700000000, 0.0088677500000000 ] - [ 0.0000651900000000, 0.0000739900000000, 0.0000108600000000 ] - [ 0.0001857600000000, -0.0001905200000000, 0.0000054700000000 ] - [ 0.0000701600000000, 0.0003341900000000, -0.0000639200000000 ] - [ -0.0000852900000000, -0.0001342300000000, -0.0001090400000000 ] - [ -0.0000336500000000, 0.0000000000000000, -0.0001312300000000 ] - [ -0.0000852900000000, 0.0001342300000000, -0.0001090400000000 ] - [ 0.0001987000000000, 0.0000506500000000, 0.0000222700000000 ] - [ -0.0002971800000000, 0.0000000000000000, 0.0002067200000000 ] - [ 0.0001857600000000, 0.0001905200000000, 0.0000054700000000 ] - [ 0.0000651900000000, -0.0000739900000000, 0.0000108600000000 ] - [ -0.0002358600000000, -0.0002073700000000, -0.0000075600000000 ] - [ 0.0000701600000000, -0.0003341900000000, -0.0000639200000000 ] - [ 0.0001086500000000, 0.0001174700000000, 0.0000218800000000 ] - [ -0.0002358600000000, 0.0002073700000000, -0.0000075600000000 ] - [ -0.0239670200000000, 0.0000000000000000, -0.0291937300000000 ] - [ -0.0001021500000000, -0.0003877500000000, 0.0003918600000000 ] - [ 0.0013343000000000, 0.0000000000000000, 0.0003172900000000 ] - [ 0.0001023300000000, -0.0001143000000000, 0.0001558100000000 ] - [ -0.0000935900000000, -0.0001600500000000, 0.0007209300000000 ] - [ 0.0000973900000000, 0.0000945500000000, 0.0000843000000000 ] - [ -0.0002198900000000, -0.0011252500000000, -0.0004540000000000 ] - [ 0.0001023300000000, 0.0001143000000000, 0.0001558100000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000294200000000, 0.0010862500000000, -0.0002061900000000 ] - [ -0.0034124900000000, -0.0010162500000000, -0.0019927700000000 ] - [ -0.0000274800000000, 0.0006580300000000, 0.0002102300000000 ] - [ -0.0000653700000000, -0.0002805400000000, -0.0000523900000000 ] - [ 0.0032235300000000, 0.0016759400000000, -0.0065422300000000 ] - [ 0.0035992900000000, -0.0008076400000000, 0.0021891600000000 ] - [ 0.0005115200000000, -0.0009093400000000, 0.0001193900000000 ] - [ -0.0054451800000000, 0.0000837900000000, -0.0016390500000000 ] - [ -0.0002645300000000, 0.0008637000000000, 0.0001431000000000 ] - [ 0.0001541800000000, 0.0007997000000000, -0.0001212700000000 ] - [ -0.0001556400000000, -0.0056585900000000, 0.0001253500000000 ] - [ -0.0000254500000000, 0.0004791200000000, -0.0000722300000000 ] - [ -0.0004581300000000, -0.0015195200000000, -0.0003988700000000 ] - [ -0.0001510000000000, -0.0004309200000000, -0.0001244700000000 ] - [ 0.0003676200000000, 0.0005504800000000, -0.0000748900000000 ] - [ -0.0001334600000000, -0.0002404800000000, -0.0003038300000000 ] - [ -0.0001439800000000, 0.0010397900000000, -0.0000253600000000 ] - [ -0.0001559100000000, 0.0006847400000000, 0.0000256200000000 ] - [ -0.0002936000000000, 0.0028402900000000, 0.0006507100000000 ] - [ 0.0001000200000000, 0.0028650300000000, -0.0003001800000000 ] - [ -0.0000269600000000, 0.0012653300000000, 0.0000668600000000 ] - [ -0.0000152100000000, 0.0008918800000000, 0.0001615600000000 ] - [ 0.0004605600000000, 0.0009033400000000, 0.0002141700000000 ] - [ -0.0032025000000000, 0.0023073000000000, 0.0068985200000000 ] - [ -0.0000274800000000, 0.0008322800000000, -0.0001630600000000 ] - [ 0.0001543400000000, 0.0008408700000000, 0.0001206500000000 ] - [ 0.0055936200000000, -0.0001229200000000, 0.0014394300000000 ] - [ -0.0001719200000000, 0.0005915200000000, -0.0002835400000000 ] - [ -0.0001219900000000, 0.0008747500000000, 0.0001929100000000 ] - [ 0.0000953400000000, 0.0003891400000000, 0.0000637400000000 ] - [ -0.0005494100000000, -0.1456441300000000, 0.0017159300000000 ] - [ 0.0008923100000000, 0.0009960200000000, 0.0002943200000000 ] - [ -0.0009364800000000, 0.0001988200000000, -0.0002547400000000 ] - [ 0.0000806100000000, 0.0002125300000000, -0.0000740900000000 ] - [ -0.0000762300000000, 0.0008354400000000, -0.0000751700000000 ] - [ -0.0000502100000000, 0.0008160900000000, -0.0003830800000000 ] - [ -0.0008569000000000, 0.0005174700000000, -0.0005479800000000 ] - [ 0.0000237500000000, 0.0012983500000000, 0.0001225500000000 ] - [ -0.0000760100000000, 0.0009755500000000, 0.0000744900000000 ] - [ 0.0009610000000000, -0.0002875300000000, 0.0005095800000000 ] - [ -0.0003826000000000, -0.0005828200000000, -0.0001616200000000 ] - [ -0.0003996200000000, -0.0007078800000000, 0.0001653300000000 ] - [ -0.0004644400000000, 0.0013460200000000, -0.0002192600000000 ] - [ -0.0000452200000000, -0.0003981300000000, 0.0001345100000000 ] - [ -0.0002998600000000, -0.0006053500000000, -0.0000316200000000 ] - [ 0.0000814300000000, -0.0005342000000000, 0.0000004300000000 ] - [ 0.0006926900000000, -0.0003455400000000, 0.0004043800000000 ] - [ -0.0000522900000000, -0.0005856800000000, 0.0001270200000000 ] - [ 0.0002040500000000, -0.0001962800000000, 0.0001452300000000 ] - [ 0.0004437600000000, -0.0000910900000000, 0.0002741600000000 ] - [ -0.0003103700000000, -0.0005895600000000, -0.0002068000000000 ] - [ -0.0004884700000000, -0.0002854200000000, -0.0001122000000000 ] - [ -0.0005688200000000, -0.0001088400000000, -0.0001678100000000 ] - [ 0.0011784600000000, 0.0011244800000000, -0.0001461300000000 ] - [ -0.0009097400000000, -0.0002025500000000, -0.0004504800000000 ] - [ 0.0003008000000000, 0.0005857500000000, 0.0002062700000000 ] - [ -0.0001311700000000, -0.0006880900000000, -0.0001323900000000 ] - [ 0.0001243600000000, 0.0006408400000000, -0.0001339200000000 ] - [ -0.0141420400000000, 0.0626439300000000, 0.0345488100000000 ] - [ -0.0001312100000000, -0.0007876700000000, 0.0001317900000000 ] - [ -0.0002368100000000, -0.0004103500000000, 0.0000015700000000 ] - [ -0.0001247200000000, 0.0009027800000000, -0.0001840900000000 ] - [ 0.0001338900000000, -0.0003940300000000, 0.0000437400000000 ] - [ -0.0008259700000000, 0.0004720500000000, 0.0006325200000000 ] - [ -0.0003171300000000, -0.0009267000000000, 0.0001995600000000 ] - [ -0.0003338800000000, -0.0008016300000000, -0.0002045200000000 ] - [ 0.0001077000000000, -0.0007712200000000, 0.0000358300000000 ] - [ 0.0004326900000000, 0.0055629000000000, -0.0002368400000000 ] - [ 0.0001340200000000, 0.0027319300000000, 0.0001356100000000 ] - [ 0.0154902400000000, 0.0649179600000000, -0.0356852000000000 ] - [ 0.0001279700000000, -0.0007371700000000, -0.0000730600000000 ] - [ 0.0003237900000000, -0.0006328400000000, -0.0000039000000000 ] - [ -0.0001823800000000, -0.0012241100000000, -0.0003900300000000 ] - [ 0.0002197900000000, -0.0006414100000000, -0.0000965300000000 ] - [ -0.0000522300000000, -0.0005521900000000, -0.0001276700000000 ] - [ -0.0001763000000000, -0.0004450300000000, -0.0000658500000000 ] - [ 0.0003323500000000, -0.0003910500000000, 0.0001788600000000 ] - [ -0.0003102200000000, -0.0005091200000000, 0.0002060600000000 ] - [ -0.0001083300000000, -0.0004921700000000, -0.0000402500000000 ] - [ 0.0000263300000000, -0.0009325300000000, 0.0000567500000000 ] - [ 0.0004710800000000, -0.0012745000000000, 0.0001849200000000 ] - [ 0.0001485800000000, -0.0014407500000000, 0.0002403400000000 ] - [ 0.0000465900000000, -0.0005747400000000, -0.0000205800000000 ] - [ -0.0004373900000000, -0.0010532300000000, -0.0003312900000000 ] - [ -0.0000192800000000, 0.0074855700000000, -0.0000041500000000 ] - [ 0.0005135700000000, -0.0002983800000000, -0.0000131400000000 ] - [ 0.0000518400000000, 0.0011265100000000, -0.0001287400000000 ] - [ 0.0009888800000000, -0.0002102700000000, -0.0003944900000000 ] - [ 0.0006679300000000, 0.0002720100000000, -0.0006520600000000 ] - [ 0.0000903500000000, -0.0002018700000000, 0.0000261100000000 ] - [ -0.0000293400000000, 0.0007052800000000, 0.0001992900000000 ] - [ -0.0011980800000000, -0.0003493000000000, 0.0004326800000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000037400000000, 0.0002764600000000, -0.0001893500000000 ] - [ 0.0010868700000000, -0.0033297000000000, -0.0027953900000000 ] - [ -0.0000445100000000, -0.0003473300000000, 0.0001131000000000 ] - [ 0.0000678400000000, -0.0004354700000000, -0.0003146800000000 ] - [ -0.0044898500000000, -0.0079777100000000, 0.0053623700000000 ] - [ 0.0010868700000000, 0.0033297000000000, -0.0027953900000000 ] - [ -0.0000556500000000, 0.0011138800000000, 0.0004957600000000 ] - [ 0.0040508600000000, -0.0001333100000000, 0.0002637200000000 ] - [ 0.0001148900000000, 0.0000692100000000, 0.0001638800000000 ] - [ 0.0001473700000000, 0.0000000000000000, -0.0001167000000000 ] - [ -0.0031794200000000, 0.0000000000000000, 0.0110521200000000 ] - [ 0.0000037400000000, -0.0002764600000000, -0.0001893500000000 ] - [ -0.0000556500000000, -0.0011138800000000, 0.0004957600000000 ] - [ 0.0006279300000000, 0.0000000000000000, 0.0003860600000000 ] - [ 0.0000322800000000, 0.0001630300000000, -0.0000817100000000 ] - [ 0.0000678400000000, 0.0004354700000000, -0.0003146800000000 ] - [ -0.0001269500000000, 0.0001074000000000, -0.0000694600000000 ] - [ -0.0000451900000000, -0.0000941400000000, 0.0001331000000000 ] - [ -0.0001281600000000, 0.0023888400000000, 0.0009645500000000 ] - [ -0.0001281600000000, -0.0023888400000000, 0.0009645500000000 ] - [ -0.0000445100000000, 0.0003473300000000, 0.0001131000000000 ] - [ -0.0000451900000000, 0.0000941400000000, 0.0001331000000000 ] - [ 0.0001148900000000, -0.0000692100000000, 0.0001638800000000 ] - [ -0.0044898500000000, 0.0079777100000000, 0.0053623700000000 ] - [ -0.0001269500000000, -0.0001074000000000, -0.0000694600000000 ] - [ 0.0001574400000000, 0.0000000000000000, 0.0001219300000000 ] - [ 0.0040508600000000, 0.0001333100000000, 0.0002637200000000 ] - [ 0.0000322800000000, -0.0001630300000000, -0.0000817100000000 ] - [ -0.0000691900000000, 0.0001427100000000, 0.0000887100000000 ] - [ -0.0000691900000000, -0.0001427100000000, 0.0000887100000000 ] - [ -0.0006077300000000, 0.0000000000000000, -0.1282447300000000 ] - [ -0.0008478800000000, 0.0010504000000000, -0.0002100500000000 ] - [ 0.0002196300000000, 0.0005926300000000, 0.0002017800000000 ] - [ -0.0016657600000000, 0.0000000000000000, -0.0006573900000000 ] - [ -0.0000590600000000, 0.0000000000000000, -0.0000927100000000 ] - [ -0.0000129100000000, -0.0004567900000000, 0.0001106400000000 ] - [ -0.0008478800000000, -0.0010504000000000, -0.0002100500000000 ] - [ -0.0000129100000000, 0.0004567900000000, 0.0001106400000000 ] - [ -0.0000870300000000, 0.0000000000000000, 0.0000675100000000 ] - [ 0.0002196300000000, -0.0005926300000000, 0.0002017800000000 ] - [ -0.0003620300000000, 0.0001308900000000, -0.0001870800000000 ] - [ -0.0003457600000000, 0.0000971400000000, 0.0001861400000000 ] - [ 0.0008994300000000, -0.0002894400000000, -0.0000059500000000 ] - [ 0.0000646100000000, -0.0001936300000000, 0.0000990700000000 ] - [ 0.0002941500000000, -0.0003046700000000, 0.0002307600000000 ] - [ 0.0000200100000000, -0.0000774000000000, -0.0000133200000000 ] - [ -0.0004888100000000, -0.0004914900000000, -0.0008179100000000 ] - [ -0.0000534300000000, 0.0000000000000000, 0.0001312000000000 ] - [ -0.0000917500000000, -0.0000939700000000, 0.0001086300000000 ] - [ -0.0002483300000000, 0.0001050300000000, -0.0001048800000000 ] - [ -0.0002964800000000, 0.0000000000000000, -0.0001986000000000 ] - [ -0.0002483300000000, -0.0001050300000000, -0.0001048800000000 ] - [ 0.0004883300000000, -0.0010233900000000, 0.0003311300000000 ] - [ 0.0008994300000000, 0.0002894400000000, -0.0000059500000000 ] - [ -0.0004888100000000, 0.0004914900000000, -0.0008179100000000 ] - [ 0.0010642500000000, 0.0000000000000000, 0.0011349600000000 ] - [ -0.0001466900000000, 0.0000000000000000, -0.0001257400000000 ] - [ -0.0030142000000000, 0.0000000000000000, -0.0018867200000000 ] - [ -0.0075168800000000, 0.0323413100000000, 0.0246662100000000 ] - [ -0.0001132100000000, 0.0000000000000000, 0.0001349300000000 ] - [ -0.0000917500000000, 0.0000939700000000, 0.0001086300000000 ] - [ 0.0003625800000000, 0.0005193000000000, -0.0000566400000000 ] - [ 0.0000200100000000, 0.0000774000000000, -0.0000133200000000 ] - [ -0.0003889400000000, 0.0017962600000000, 0.0004276000000000 ] - [ -0.0003457600000000, -0.0000971400000000, 0.0001861400000000 ] - [ -0.0003620300000000, -0.0001308900000000, -0.0001870800000000 ] - [ 0.0000882700000000, -0.0000663700000000, 0.0000321100000000 ] - [ -0.0121204600000000, 0.0000000000000000, 0.0086777400000000 ] - [ 0.0006102900000000, 0.0000000000000000, -0.0038274400000000 ] - [ -0.0075168800000000, -0.0323413100000000, 0.0246662100000000 ] - [ 0.0000793600000000, 0.0002044200000000, 0.0000153100000000 ] - [ 0.0001664900000000, -0.0000367800000000, 0.0001491600000000 ] - [ 0.0001868200000000, 0.0002174300000000, -0.0000539400000000 ] - [ -0.0001877200000000, 0.0000028900000000, -0.0002024300000000 ] - [ -0.0000507300000000, 0.0000000000000000, -0.0001251700000000 ] - [ -0.0001877200000000, -0.0000028900000000, -0.0002024300000000 ] - [ 0.0002941500000000, 0.0003046700000000, 0.0002307600000000 ] - [ -0.0003277700000000, 0.0000000000000000, 0.0002095500000000 ] - [ 0.0001664900000000, 0.0000367800000000, 0.0001491600000000 ] - [ 0.0000793600000000, -0.0002044200000000, 0.0000153100000000 ] - [ -0.0003170900000000, 0.0002576000000000, -0.0000845500000000 ] - [ 0.0001868200000000, -0.0002174300000000, -0.0000539400000000 ] - [ 0.0000882700000000, 0.0000663700000000, 0.0000321100000000 ] - [ -0.0003170900000000, -0.0002576000000000, -0.0000845500000000 ] - [ 0.0344494500000000, 0.0000000000000000, 0.0558944000000000 ] - [ 0.0004883300000000, 0.0010233900000000, 0.0003311300000000 ] - [ -0.0000280300000000, 0.0000000000000000, -0.0003717700000000 ] - [ -0.0001119400000000, 0.0004834600000000, -0.0000381200000000 ] - [ -0.0003889400000000, -0.0017962600000000, 0.0004276000000000 ] - [ 0.0000646100000000, 0.0001936300000000, 0.0000990700000000 ] - [ 0.0003625800000000, -0.0005193000000000, -0.0000566400000000 ] - [ -0.0001119400000000, -0.0004834600000000, -0.0000381200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000573600000000, 0.0003308600000000, -0.0000910800000000 ] - [ -0.0009116400000000, 0.0031266800000000, 0.0029821800000000 ] - [ -0.0000091100000000, -0.0002597600000000, 0.0001635000000000 ] - [ -0.0002639700000000, 0.0003974900000000, -0.0000444100000000 ] - [ 0.0045119500000000, 0.0072930700000000, -0.0050400100000000 ] - [ -0.0009116400000000, -0.0031266800000000, 0.0029821800000000 ] - [ 0.0001100000000000, -0.0005119000000000, -0.0007795800000000 ] - [ -0.0038950000000000, 0.0003495700000000, -0.0004425400000000 ] - [ 0.0000806000000000, -0.0001076200000000, 0.0001910100000000 ] - [ 0.0001623300000000, 0.0000000000000000, -0.0001273600000000 ] - [ 0.0029383600000000, 0.0000000000000000, -0.0109270600000000 ] - [ -0.0000573600000000, -0.0003308600000000, -0.0000910800000000 ] - [ 0.0001100000000000, 0.0005119000000000, -0.0007795800000000 ] - [ -0.0009391400000000, 0.0000000000000000, -0.0006416400000000 ] - [ 0.0001652400000000, -0.0002028800000000, -0.0002773700000000 ] - [ -0.0002639700000000, -0.0003974900000000, -0.0000444100000000 ] - [ -0.0000433300000000, 0.0000995200000000, -0.0001208900000000 ] - [ -0.0001250900000000, -0.0001130400000000, 0.0000529100000000 ] - [ -0.0000668000000000, -0.0024235800000000, -0.0006138500000000 ] - [ -0.0000668000000000, 0.0024235800000000, -0.0006138500000000 ] - [ -0.0000091100000000, 0.0002597600000000, 0.0001635000000000 ] - [ -0.0001250900000000, 0.0001130400000000, 0.0000529100000000 ] - [ 0.0000806000000000, 0.0001076200000000, 0.0001910100000000 ] - [ 0.0045119500000000, -0.0072930700000000, -0.0050400100000000 ] - [ -0.0000433300000000, -0.0000995200000000, -0.0001208900000000 ] - [ 0.0001522800000000, 0.0000000000000000, 0.0001180700000000 ] - [ -0.0038950000000000, -0.0003495700000000, -0.0004425400000000 ] - [ 0.0001652400000000, 0.0002028800000000, -0.0002773700000000 ] - [ 0.0000434800000000, 0.0003427000000000, 0.0001668300000000 ] - [ 0.0000434800000000, -0.0003427000000000, 0.0001668300000000 ] - [ -0.0011451300000000, 0.0000000000000000, 0.1270041800000000 ] - [ 0.0008808200000000, -0.0005672600000000, -0.0000477000000000 ] - [ -0.0001961600000000, -0.0001073500000000, 0.0000522300000000 ] - [ 0.0018256300000000, 0.0000000000000000, 0.0005117200000000 ] - [ -0.0000917400000000, 0.0000000000000000, -0.0000582100000000 ] - [ -0.0000126600000000, -0.0000276900000000, -0.0003702200000000 ] - [ 0.0008808200000000, 0.0005672600000000, -0.0000477000000000 ] - [ -0.0000126600000000, 0.0000276900000000, -0.0003702200000000 ] - [ -0.0000635900000000, 0.0000000000000000, 0.0000794100000000 ] - [ -0.0001961600000000, 0.0001073500000000, 0.0000522300000000 ] - [ -0.0003535100000000, 0.0000878200000000, -0.0001806000000000 ] - [ -0.0003697700000000, 0.0001217000000000, 0.0001775500000000 ] - [ -0.0001884600000000, 0.0005121000000000, -0.0003639000000000 ] - [ -0.0000182600000000, -0.0000021900000000, 0.0000609400000000 ] - [ -0.0002613100000000, 0.0000897600000000, -0.0000850100000000 ] - [ 0.0001960000000000, -0.0000634600000000, 0.0000561600000000 ] - [ 0.0002744800000000, 0.0003480200000000, 0.0007678400000000 ] - [ -0.0000500800000000, 0.0000000000000000, 0.0001213700000000 ] - [ 0.0000599700000000, 0.0003093500000000, 0.0000362400000000 ] - [ 0.0002038200000000, 0.0000913700000000, 0.0002651400000000 ] - [ -0.0003227600000000, 0.0000000000000000, -0.0002163300000000 ] - [ 0.0002038200000000, -0.0000913700000000, 0.0002651400000000 ] - [ -0.0005409500000000, 0.0012117500000000, -0.0005085100000000 ] - [ -0.0001884600000000, -0.0005121000000000, -0.0003639000000000 ] - [ 0.0002744800000000, -0.0003480200000000, 0.0007678400000000 ] - [ -0.0004515300000000, 0.0000000000000000, -0.0007225200000000 ] - [ -0.0001147400000000, 0.0000000000000000, -0.0001404300000000 ] - [ 0.0033024400000000, 0.0000000000000000, 0.0016188300000000 ] - [ 0.0084133400000000, -0.0332905000000000, -0.0244014800000000 ] - [ -0.0001481100000000, 0.0000000000000000, 0.0001272700000000 ] - [ 0.0000599700000000, -0.0003093500000000, 0.0000362400000000 ] - [ -0.0005132000000000, -0.0003235700000000, 0.0000718400000000 ] - [ 0.0001960000000000, 0.0000634600000000, 0.0000561600000000 ] - [ 0.0002309100000000, -0.0015982100000000, -0.0004388400000000 ] - [ -0.0003697700000000, -0.0001217000000000, 0.0001775500000000 ] - [ -0.0003535100000000, -0.0000878200000000, -0.0001806000000000 ] - [ 0.0000666100000000, -0.0001302500000000, -0.0000183500000000 ] - [ 0.0128616200000000, 0.0000000000000000, -0.0091782600000000 ] - [ -0.0003299800000000, 0.0000000000000000, 0.0041053600000000 ] - [ 0.0084133400000000, 0.0332905000000000, -0.0244014800000000 ] - [ 0.0000758800000000, -0.0000081000000000, -0.0000332400000000 ] - [ 0.0000494100000000, -0.0001042000000000, -0.0001950000000000 ] - [ -0.0002195100000000, -0.0000034700000000, -0.0000967200000000 ] - [ 0.0002335400000000, -0.0001993400000000, 0.0000379300000000 ] - [ -0.0000529000000000, 0.0000000000000000, -0.0001313900000000 ] - [ 0.0002335400000000, 0.0001993400000000, 0.0000379300000000 ] - [ -0.0002613100000000, -0.0000897600000000, -0.0000850100000000 ] - [ -0.0002913800000000, 0.0000000000000000, 0.0002012700000000 ] - [ 0.0000494100000000, 0.0001042000000000, -0.0001950000000000 ] - [ 0.0000758800000000, 0.0000081000000000, -0.0000332400000000 ] - [ 0.0003508200000000, -0.0004738300000000, -0.0000643100000000 ] - [ -0.0002195100000000, 0.0000034700000000, -0.0000967200000000 ] - [ 0.0000666100000000, 0.0001302500000000, -0.0000183500000000 ] - [ 0.0003508200000000, 0.0004738300000000, -0.0000643100000000 ] - [ -0.0329731300000000, 0.0000000000000000, -0.0537574700000000 ] - [ -0.0005409500000000, -0.0012117500000000, -0.0005085100000000 ] - [ 0.0001343100000000, 0.0000000000000000, 0.0001185000000000 ] - [ -0.0001021800000000, -0.0003433000000000, 0.0000786400000000 ] - [ 0.0002309100000000, 0.0015982100000000, -0.0004388400000000 ] - [ -0.0000182600000000, 0.0000021900000000, 0.0000609400000000 ] - [ -0.0005132000000000, 0.0003235700000000, 0.0000718400000000 ] - [ -0.0001021800000000, 0.0003433000000000, 0.0000786400000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007576800000000, -0.0000517900000000, 0.0010498400000000 ] - [ 0.0000663800000000, -0.0000010900000000, 0.0001260700000000 ] - [ -0.0003020900000000, -0.0005756000000000, 0.0003541900000000 ] - [ 0.0003315400000000, 0.0000253900000000, -0.0001020400000000 ] - [ -0.0000843400000000, -0.0003908900000000, 0.0001747500000000 ] - [ 0.0000905900000000, 0.0000613800000000, 0.0000962600000000 ] - [ 0.0000494900000000, 0.0002691300000000, -0.0001350300000000 ] - [ 0.0000822300000000, 0.0000798200000000, -0.0000968400000000 ] - [ 0.0000546000000000, -0.0000410000000000, 0.0001782200000000 ] - [ 0.0018794600000000, 0.0019036400000000, -0.0020602700000000 ] - [ -0.0001754500000000, -0.0000016900000000, 0.0001240400000000 ] - [ 0.0010574500000000, 0.0002341800000000, 0.0001960400000000 ] - [ 0.0001182400000000, -0.0002301600000000, -0.0001787700000000 ] - [ -0.0001328600000000, -0.0000876300000000, -0.0001170900000000 ] - [ 0.0001299000000000, -0.0001657900000000, -0.0002292200000000 ] - [ -0.0000534300000000, 0.0000040200000000, -0.0001873900000000 ] - [ -0.0013954100000000, 0.0009168300000000, -0.0013230000000000 ] - [ -0.0000716900000000, 0.0006411800000000, -0.0002993600000000 ] - [ -0.0004873100000000, -0.0000780700000000, 0.0000585100000000 ] - [ -0.0001457100000000, -0.0000121700000000, 0.0001580000000000 ] - [ -0.0004125700000000, 0.0006962400000000, 0.0002760300000000 ] - [ 0.0083618100000000, -0.0010932600000000, 0.0008291500000000 ] - [ -0.0002993100000000, 0.0000455000000000, 0.0003329600000000 ] - [ 0.0000008200000000, 0.0002727100000000, 0.0001463800000000 ] - [ -0.0002681800000000, -0.0006569500000000, -0.0002198600000000 ] - [ -0.0009853000000000, -0.0000648200000000, 0.0005450600000000 ] - [ 0.0001036000000000, -0.0002165000000000, -0.0001314900000000 ] - [ -0.0000303500000000, -0.0001655300000000, -0.0000507900000000 ] - [ -0.0003142900000000, -0.0007457500000000, -0.0005465700000000 ] - [ -0.0000248300000000, -0.0004190900000000, 0.0003206600000000 ] - [ 0.0000545500000000, -0.0000247500000000, 0.0000706300000000 ] - [ 0.0000353400000000, 0.0001797000000000, -0.0001326300000000 ] - [ -0.0000096100000000, 0.0002480000000000, 0.0001150400000000 ] - [ 0.0000937200000000, -0.0000415100000000, -0.0000869200000000 ] - [ 0.0088411000000000, -0.0147789800000000, -0.0080131400000000 ] - [ 0.0000614400000000, -0.0002056000000000, -0.0000393100000000 ] - [ 0.0000225200000000, -0.0000181500000000, -0.0002731400000000 ] - [ 0.0001782300000000, 0.0000608000000000, -0.0005532600000000 ] - [ -0.0023701800000000, 0.0008174400000000, -0.0004666300000000 ] - [ 0.0001192600000000, -0.0008059000000000, -0.0004507300000000 ] - [ -0.0245632100000000, 0.0149998200000000, 0.0080240200000000 ] - [ 0.0006424300000000, 0.0000110300000000, -0.0001075100000000 ] - [ 0.0003416800000000, 0.0001380800000000, -0.0001842000000000 ] - [ -0.0001207400000000, -0.0000553600000000, 0.0000661100000000 ] - [ 0.0000137000000000, -0.0000119600000000, 0.0000452000000000 ] - [ -0.0002751000000000, 0.0004315400000000, 0.0002331800000000 ] - [ -0.0001021700000000, -0.0000575700000000, -0.0000208500000000 ] - [ 0.0008669600000000, -0.0007199200000000, 0.0001835500000000 ] - [ -0.0000393400000000, 0.0000761400000000, 0.0000821400000000 ] - [ -0.0000392500000000, 0.0000945700000000, 0.0000781800000000 ] - [ 0.0032624200000000, 0.0004742300000000, 0.0000935600000000 ] - [ -0.0001925400000000, -0.0000620400000000, 0.0001042600000000 ] - [ -0.0000105100000000, 0.0001376700000000, -0.0000794400000000 ] - [ 0.0003144800000000, -0.0000918800000000, -0.0001801400000000 ] - [ -0.0000820400000000, 0.0002780700000000, 0.0000183200000000 ] - [ 0.0002841500000000, 0.0000041400000000, 0.0002014700000000 ] - [ 0.0000483200000000, -0.0010230100000000, 0.0010582700000000 ] - [ 0.0001097600000000, -0.0000020500000000, -0.0001343100000000 ] - [ 0.0003887000000000, -0.0000834100000000, 0.0001962300000000 ] - [ 0.0003692100000000, 0.0001436500000000, 0.0002529000000000 ] - [ 0.0000315600000000, 0.0010601500000000, 0.0003916800000000 ] - [ -0.0001349500000000, 0.0004289300000000, 0.0000152300000000 ] - [ 0.0001038500000000, -0.0000477400000000, 0.0000174700000000 ] - [ 0.0000198700000000, -0.0000058600000000, 0.0000267900000000 ] - [ 0.0008356000000000, -0.0001015200000000, 0.0005147500000000 ] - [ -0.0016782700000000, 0.0004327800000000, -0.0001344000000000 ] - [ 0.0008280900000000, -0.0002036300000000, -0.0013259700000000 ] - [ 0.0003349800000000, 0.0000340300000000, -0.0002193400000000 ] - [ 0.0001519700000000, 0.0000547200000000, 0.0001345400000000 ] - [ 0.0003704200000000, 0.0001370700000000, 0.0001853500000000 ] - [ 0.0001381300000000, -0.0000714000000000, -0.0000184900000000 ] - [ 0.0003672000000000, -0.0005062400000000, 0.0002000400000000 ] - [ -0.0000082500000000, 0.0001830100000000, -0.0000591900000000 ] - [ 0.0001329500000000, -0.0001374800000000, -0.0000452000000000 ] - [ -0.0010198100000000, 0.0017308500000000, 0.0023876900000000 ] - [ 0.0009039000000000, 0.0011309000000000, 0.0004374200000000 ] - [ 0.0000422800000000, -0.0004351900000000, 0.0002084300000000 ] - [ 0.0017811100000000, -0.0035474200000000, -0.0028401200000000 ] - [ 0.0001296900000000, 0.0002091200000000, -0.0000743000000000 ] - [ 0.0002385100000000, 0.0000033700000000, 0.0000282500000000 ] - [ 0.0000130100000000, -0.0001282300000000, -0.0000854000000000 ] - [ 0.0001898900000000, -0.0004510400000000, -0.0001121100000000 ] - [ 0.0001551700000000, 0.0005046200000000, 0.0000323400000000 ] - [ 0.0000607800000000, 0.0003102700000000, 0.0000141200000000 ] - [ 0.0000729500000000, 0.0000123500000000, 0.0001213600000000 ] - [ 0.0000484500000000, -0.0001424600000000, -0.0000934200000000 ] - [ 0.0000358300000000, 0.0000282800000000, -0.0001294000000000 ] - [ -0.0000785200000000, -0.0000052000000000, 0.0000789500000000 ] - [ -0.0000773500000000, -0.0000650400000000, -0.0000073200000000 ] - [ 0.0000448300000000, -0.0005600700000000, 0.0009182500000000 ] - [ -0.0000762500000000, -0.0000766100000000, 0.0000153200000000 ] - [ -0.0001015300000000, -0.0000403700000000, 0.0000273900000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008002900000000, 0.0006580600000000, -0.0013297200000000 ] - [ 0.0001047600000000, -0.0002057600000000, 0.0000635500000000 ] - [ 0.0002438300000000, -0.0000291200000000, -0.0000786400000000 ] - [ -0.0005293100000000, -0.0000636600000000, -0.0002542300000000 ] - [ 0.0001386900000000, -0.0002158500000000, 0.0001051200000000 ] - [ 0.0000805700000000, 0.0001440700000000, 0.0000937400000000 ] - [ 0.0000048600000000, 0.0003370900000000, -0.0001444700000000 ] - [ 0.0000887700000000, 0.0001265900000000, -0.0000927500000000 ] - [ 0.0001423200000000, 0.0000017800000000, 0.0001789900000000 ] - [ -0.0015624000000000, -0.0019121800000000, 0.0018317000000000 ] - [ -0.0001336800000000, 0.0000014300000000, 0.0001177100000000 ] - [ -0.0011057800000000, -0.0008421400000000, -0.0004757400000000 ] - [ -0.0000642400000000, -0.0003768400000000, -0.0001009200000000 ] - [ -0.0001759700000000, 0.0000870900000000, -0.0001245700000000 ] - [ 0.0000674300000000, 0.0001200000000000, -0.0001263700000000 ] - [ -0.0001427800000000, 0.0000362900000000, -0.0001696500000000 ] - [ 0.0011567400000000, -0.0007114900000000, 0.0010879300000000 ] - [ -0.0000927700000000, -0.0008456600000000, 0.0004874500000000 ] - [ 0.0002891600000000, 0.0000339200000000, 0.0002981400000000 ] - [ -0.0000522400000000, 0.0000531000000000, 0.0001988500000000 ] - [ 0.0003547300000000, -0.0000875900000000, 0.0000035900000000 ] - [ -0.0080757600000000, 0.0013062700000000, -0.0005436500000000 ] - [ 0.0004989000000000, -0.0000064900000000, 0.0000245100000000 ] - [ 0.0000535300000000, 0.0003337500000000, 0.0001329500000000 ] - [ 0.0000902800000000, 0.0004496400000000, 0.0000325300000000 ] - [ 0.0012942600000000, 0.0000644000000000, -0.0003017800000000 ] - [ 0.0000675200000000, 0.0000101500000000, -0.0000588700000000 ] - [ 0.0002207400000000, 0.0001727600000000, -0.0003013500000000 ] - [ 0.0002650800000000, 0.0012379500000000, 0.0008105200000000 ] - [ -0.0000036600000000, -0.0000672700000000, -0.0000669400000000 ] - [ 0.0000965300000000, 0.0000240300000000, 0.0000787700000000 ] - [ -0.0000094300000000, 0.0003045200000000, -0.0001197800000000 ] - [ 0.0000365500000000, 0.0002367900000000, 0.0001471800000000 ] - [ 0.0000567500000000, 0.0000408800000000, -0.0000623800000000 ] - [ -0.0091510700000000, 0.0148416700000000, 0.0079130200000000 ] - [ -0.0000851600000000, -0.0002765000000000, -0.0002221000000000 ] - [ 0.0000031200000000, -0.0004672700000000, 0.0000115300000000 ] - [ -0.0001876000000000, 0.0004189200000000, 0.0002934800000000 ] - [ 0.0022192100000000, -0.0008260900000000, 0.0006220000000000 ] - [ -0.0000925300000000, 0.0003239800000000, 0.0007051800000000 ] - [ 0.0236236100000000, -0.0147789100000000, -0.0085153700000000 ] - [ -0.0013577000000000, 0.0002043200000000, 0.0004725600000000 ] - [ 0.0003737300000000, 0.0000800800000000, -0.0001815400000000 ] - [ 0.0001667700000000, -0.0001406700000000, 0.0000942900000000 ] - [ 0.0000194900000000, -0.0001984000000000, 0.0001029500000000 ] - [ 0.0004750800000000, -0.0005772300000000, -0.0001960900000000 ] - [ -0.0001151800000000, -0.0000826700000000, -0.0000243800000000 ] - [ -0.0009693800000000, 0.0007155000000000, 0.0000735700000000 ] - [ 0.0000060800000000, 0.0001367500000000, 0.0000663400000000 ] - [ -0.0000057500000000, 0.0001026100000000, 0.0000816200000000 ] - [ -0.0039122600000000, -0.0004829400000000, -0.0005083100000000 ] - [ 0.0001502000000000, -0.0001335500000000, 0.0000562100000000 ] - [ -0.0000339400000000, 0.0000590000000000, -0.0000808200000000 ] - [ 0.0004010600000000, -0.0001254100000000, -0.0001851800000000 ] - [ -0.0001358200000000, -0.0001366300000000, -0.0000641300000000 ] - [ 0.0003370900000000, -0.0000037800000000, 0.0002117600000000 ] - [ -0.0003192900000000, 0.0010232000000000, -0.0013211800000000 ] - [ 0.0001524900000000, 0.0000023500000000, -0.0001302900000000 ] - [ 0.0003266500000000, -0.0001336600000000, 0.0001695400000000 ] - [ -0.0006216000000000, -0.0001493000000000, 0.0000100700000000 ] - [ -0.0000676200000000, -0.0012751200000000, -0.0002422400000000 ] - [ -0.0000198000000000, -0.0002324800000000, 0.0000011900000000 ] - [ 0.0001117900000000, 0.0001877800000000, 0.0000271800000000 ] - [ -0.0001735700000000, 0.0002026000000000, -0.0000432800000000 ] - [ -0.0015556600000000, -0.0001212500000000, -0.0001538900000000 ] - [ 0.0009606200000000, -0.0006376700000000, -0.0002283400000000 ] - [ -0.0006662100000000, -0.0000023400000000, 0.0013618200000000 ] - [ 0.0002864300000000, -0.0000336400000000, -0.0001938700000000 ] - [ 0.0001102900000000, -0.0000542200000000, 0.0001300200000000 ] - [ 0.0003449800000000, 0.0000806200000000, 0.0001803700000000 ] - [ 0.0000156000000000, 0.0002649100000000, 0.0000009100000000 ] - [ -0.0001552600000000, 0.0003734100000000, -0.0002416600000000 ] - [ -0.0000234200000000, 0.0000295100000000, -0.0000885700000000 ] - [ -0.0000884300000000, -0.0000602500000000, -0.0001154600000000 ] - [ 0.0009113300000000, -0.0017178800000000, -0.0026335200000000 ] - [ -0.0008527200000000, -0.0009213000000000, -0.0005925900000000 ] - [ -0.0000074600000000, 0.0006482700000000, -0.0000566100000000 ] - [ -0.0023767200000000, 0.0035158700000000, 0.0032261900000000 ] - [ 0.0000891900000000, -0.0000690400000000, 0.0000291000000000 ] - [ -0.0000880200000000, -0.0001981000000000, -0.0000449400000000 ] - [ 0.0000191900000000, -0.0000845300000000, -0.0000632100000000 ] - [ -0.0002222300000000, 0.0002402200000000, -0.0000367600000000 ] - [ 0.0000005500000000, -0.0003058000000000, -0.0000152200000000 ] - [ -0.0000315900000000, -0.0000995700000000, -0.0001619200000000 ] - [ 0.0000308000000000, -0.0000118400000000, 0.0001316100000000 ] - [ -0.0000930200000000, -0.0000533500000000, -0.0000663600000000 ] - [ 0.0000678700000000, -0.0000279600000000, -0.0001238500000000 ] - [ -0.0001385600000000, 0.0001460500000000, -0.0000349800000000 ] - [ -0.0000768500000000, -0.0001305900000000, -0.0000096100000000 ] - [ 0.0000109900000000, 0.0007543000000000, -0.0007569700000000 ] - [ -0.0000783500000000, -0.0001190100000000, 0.0000013700000000 ] - [ -0.0001151500000000, -0.0000994600000000, 0.0000179800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007106700000000, 0.0027564700000000, 0.0011433500000000 ] - [ 0.0001850600000000, -0.0008930400000000, 0.0000225900000000 ] - [ -0.0003528500000000, -0.0002070800000000, 0.0000137700000000 ] - [ -0.0005013200000000, -0.0006788300000000, -0.0001627300000000 ] - [ 0.0000004200000000, -0.0009264800000000, 0.0002597400000000 ] - [ 0.0000787400000000, -0.0006509000000000, 0.0001062400000000 ] - [ 0.0000171200000000, -0.0004702900000000, -0.0001527900000000 ] - [ 0.0001176400000000, -0.0005912400000000, -0.0000723400000000 ] - [ 0.0001266500000000, -0.0003073000000000, 0.0002541900000000 ] - [ 0.0012811300000000, 0.0063613600000000, -0.0045654700000000 ] - [ -0.0001406800000000, -0.0006707000000000, 0.0001118200000000 ] - [ 0.0005180200000000, -0.0009516700000000, -0.0008615900000000 ] - [ 0.0000386000000000, -0.0011957100000000, -0.0000537000000000 ] - [ -0.0001620700000000, -0.0007166100000000, -0.0001249000000000 ] - [ 0.0000775000000000, -0.0019886200000000, -0.0000049900000000 ] - [ 0.0000386600000000, -0.0006475800000000, -0.0001199400000000 ] - [ 0.0013744900000000, 0.0030043000000000, 0.0006605100000000 ] - [ 0.0011185800000000, -0.0001495700000000, 0.0005266300000000 ] - [ 0.0002917600000000, -0.0002682500000000, 0.0002289300000000 ] - [ -0.0001907900000000, -0.0005287200000000, 0.0001113500000000 ] - [ 0.0000469100000000, 0.0020013100000000, 0.0002334800000000 ] - [ -0.0016562200000000, 0.0032671800000000, -0.0001862900000000 ] - [ -0.0000593900000000, 0.0005599600000000, 0.0001354600000000 ] - [ 0.0000161500000000, -0.0003816700000000, 0.0001196900000000 ] - [ -0.0009501500000000, -0.0001572300000000, -0.0003229600000000 ] - [ 0.0005711700000000, 0.0008974400000000, -0.0000757600000000 ] - [ -0.0000157800000000, -0.0007522100000000, -0.0002028300000000 ] - [ -0.0001591000000000, 0.0050686400000000, -0.0006331400000000 ] - [ 0.0011312700000000, 0.0009876100000000, 0.0015974300000000 ] - [ -0.0004399100000000, -0.0011005400000000, 0.0002067200000000 ] - [ 0.0000644700000000, -0.0006945000000000, 0.0000963800000000 ] - [ -0.0000370000000000, -0.0004032700000000, -0.0001136400000000 ] - [ 0.0000587500000000, -0.0005330600000000, 0.0001905700000000 ] - [ 0.0000858600000000, -0.0008195800000000, -0.0000625200000000 ] - [ -0.0133290000000000, 0.0627527100000000, 0.0319633900000000 ] - [ 0.0003103700000000, -0.0006543000000000, -0.0000440400000000 ] - [ 0.0002683800000000, -0.0006361000000000, -0.0001251300000000 ] - [ -0.0010522300000000, 0.0006019800000000, -0.0002331000000000 ] - [ -0.0007997400000000, 0.0012364100000000, -0.0003271600000000 ] - [ 0.0000410400000000, -0.0014356700000000, -0.0004261400000000 ] - [ 0.0142519100000000, -0.0880579600000000, -0.0344231700000000 ] - [ -0.0004540300000000, -0.0010506700000000, 0.0001130900000000 ] - [ 0.0003287400000000, 0.0007769700000000, -0.0002027400000000 ] - [ 0.0001974200000000, 0.0001594400000000, 0.0001130600000000 ] - [ 0.0000629800000000, 0.0006695100000000, 0.0001568900000000 ] - [ 0.0014541500000000, -0.0000293100000000, 0.0009893000000000 ] - [ -0.0000700300000000, 0.0003273600000000, -0.0000198800000000 ] - [ 0.0003306900000000, -0.0009272300000000, 0.0002681800000000 ] - [ -0.0002858600000000, 0.0008841600000000, -0.0000128800000000 ] - [ -0.0001712700000000, 0.0005546800000000, 0.0000855100000000 ] - [ 0.0015407600000000, -0.0007150600000000, 0.0002249400000000 ] - [ 0.0003879900000000, 0.0004284900000000, 0.0002222900000000 ] - [ -0.0000058300000000, 0.0004309800000000, -0.0001121200000000 ] - [ 0.0003744400000000, 0.0005927600000000, -0.0001795100000000 ] - [ 0.0000428200000000, 0.0004793700000000, 0.0000806200000000 ] - [ 0.0002970800000000, 0.0004920400000000, 0.0001997600000000 ] - [ -0.0010172000000000, -0.0011131000000000, -0.0009152000000000 ] - [ 0.0001138000000000, 0.0006564900000000, -0.0001401900000000 ] - [ 0.0003830200000000, 0.0004360100000000, 0.0001700000000000 ] - [ 0.0006426900000000, -0.0010498600000000, 0.0001062200000000 ] - [ 0.0009623200000000, 0.0015241400000000, 0.0004092100000000 ] - [ -0.0000497100000000, 0.0009299000000000, -0.0000762100000000 ] - [ -0.0001178300000000, 0.0003295000000000, -0.0001405100000000 ] - [ -0.0001384800000000, 0.0006408900000000, -0.0000690700000000 ] - [ -0.0003670000000000, -0.0002561300000000, 0.0001807300000000 ] - [ -0.0008930400000000, 0.0070448300000000, 0.0006192900000000 ] - [ -0.0002698900000000, 0.0000808400000000, 0.0011028300000000 ] - [ 0.0003248500000000, 0.0004315300000000, -0.0002135800000000 ] - [ 0.0001439300000000, 0.0005819300000000, 0.0001293300000000 ] - [ 0.0003295200000000, 0.0007061400000000, 0.0002023000000000 ] - [ -0.0000217400000000, 0.0001955100000000, 0.0000065500000000 ] - [ -0.0010702700000000, -0.0001686500000000, 0.0004162500000000 ] - [ 0.0001012800000000, 0.0006853500000000, 0.0000431500000000 ] - [ -0.0001506500000000, 0.0000993600000000, -0.0000752800000000 ] - [ -0.0008069400000000, -0.0003288800000000, 0.0019731200000000 ] - [ 0.0001818000000000, -0.0002326600000000, -0.0000112000000000 ] - [ -0.0003250600000000, 0.0012426100000000, -0.0003948000000000 ] - [ -0.0020754600000000, -0.0009118500000000, 0.0018908400000000 ] - [ 0.0004381300000000, 0.0003533300000000, -0.0001184600000000 ] - [ -0.0000011600000000, -0.0012422800000000, 0.0001420400000000 ] - [ -0.0000865200000000, 0.0003622800000000, -0.0001383800000000 ] - [ -0.0005208600000000, 0.0000422200000000, -0.0001696400000000 ] - [ 0.0003560300000000, 0.0005981700000000, -0.0001287800000000 ] - [ 0.0002508500000000, 0.0000991400000000, -0.0001267600000000 ] - [ 0.0000493000000000, 0.0004602700000000, 0.0001228800000000 ] - [ -0.0001249700000000, 0.0000531700000000, -0.0000437500000000 ] - [ 0.0000591300000000, 0.0005001700000000, -0.0001310300000000 ] - [ -0.0003618600000000, 0.0005037500000000, -0.0001746100000000 ] - [ -0.0000820200000000, 0.0004908600000000, -0.0000263800000000 ] - [ -0.0013708500000000, 0.0001947000000000, -0.0011528000000000 ] - [ -0.0001091800000000, 0.0005426700000000, 0.0000559800000000 ] - [ 0.0000402400000000, 0.0004174500000000, 0.0000614800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006626500000000, -0.0021382400000000, -0.0014339900000000 ] - [ -0.0000133300000000, 0.0006844400000000, 0.0001668700000000 ] - [ 0.0002989700000000, -0.0004041200000000, 0.0002657600000000 ] - [ 0.0003033700000000, 0.0006375300000000, -0.0001934400000000 ] - [ 0.0000533800000000, 0.0003185800000000, 0.0000204100000000 ] - [ 0.0000926500000000, 0.0008545100000000, 0.0000834500000000 ] - [ 0.0000371700000000, 0.0010747300000000, -0.0001266000000000 ] - [ 0.0000526700000000, 0.0007953900000000, -0.0001173700000000 ] - [ 0.0000701700000000, 0.0002629900000000, 0.0001034200000000 ] - [ -0.0010301100000000, -0.0064766700000000, 0.0044730900000000 ] - [ -0.0001682500000000, 0.0006687200000000, 0.0001295200000000 ] - [ -0.0005748900000000, 0.0003404700000000, 0.0005860700000000 ] - [ 0.0000157000000000, 0.0005843100000000, -0.0002255300000000 ] - [ -0.0001470000000000, 0.0007140600000000, -0.0001165300000000 ] - [ 0.0001203200000000, 0.0019541900000000, -0.0003534200000000 ] - [ -0.0002356100000000, 0.0006858200000000, -0.0002367200000000 ] - [ -0.0015559500000000, -0.0027771100000000, -0.0008593900000000 ] - [ -0.0012950000000000, -0.0000636400000000, -0.0003383600000000 ] - [ -0.0004860700000000, 0.0002291000000000, 0.0001282100000000 ] - [ -0.0000060300000000, 0.0005665500000000, 0.0002451600000000 ] - [ -0.0001045700000000, -0.0013865900000000, 0.0000472200000000 ] - [ 0.0014643300000000, -0.0030388200000000, 0.0003748100000000 ] - [ 0.0002553300000000, -0.0005143700000000, 0.0002209500000000 ] - [ 0.0000379600000000, 0.0009857700000000, 0.0001596600000000 ] - [ 0.0007822700000000, -0.0000558600000000, 0.0001351000000000 ] - [ -0.0002620600000000, -0.0008942200000000, 0.0003187000000000 ] - [ 0.0001858600000000, 0.0005443200000000, 0.0000122900000000 ] - [ 0.0003259700000000, -0.0047481200000000, 0.0003064300000000 ] - [ -0.0011594600000000, -0.0004907500000000, -0.0013221700000000 ] - [ 0.0004143000000000, 0.0006138000000000, 0.0000474800000000 ] - [ 0.0000862200000000, 0.0006920500000000, 0.0000528800000000 ] - [ 0.0000638700000000, 0.0008850500000000, -0.0001386400000000 ] - [ -0.0000322600000000, 0.0010162800000000, 0.0000711200000000 ] - [ 0.0000652200000000, 0.0008168300000000, -0.0000865400000000 ] - [ 0.0138395500000000, -0.0648061900000000, -0.0336826700000000 ] - [ -0.0003382600000000, 0.0001669500000000, -0.0002181100000000 ] - [ -0.0002387000000000, 0.0001516700000000, -0.0001362100000000 ] - [ 0.0010195700000000, -0.0001126300000000, -0.0000133400000000 ] - [ 0.0006409800000000, -0.0012325400000000, 0.0004735700000000 ] - [ -0.0000139900000000, 0.0009477600000000, 0.0006762400000000 ] - [ -0.0155355800000000, 0.0902109000000000, 0.0354961600000000 ] - [ -0.0002610400000000, 0.0012664400000000, 0.0002520700000000 ] - [ 0.0003869500000000, -0.0005564500000000, -0.0001628500000000 ] - [ -0.0001521200000000, -0.0003527400000000, 0.0000496000000000 ] - [ -0.0000311400000000, -0.0008802000000000, -0.0000088100000000 ] - [ -0.0012225500000000, -0.0001124900000000, -0.0009369200000000 ] - [ -0.0001458800000000, -0.0004665000000000, -0.0000249800000000 ] - [ -0.0004345800000000, 0.0009291400000000, -0.0000136900000000 ] - [ 0.0002540300000000, -0.0006689400000000, 0.0001603000000000 ] - [ 0.0001271100000000, -0.0003578900000000, 0.0000756100000000 ] - [ -0.0021571200000000, 0.0007162800000000, -0.0006364200000000 ] - [ -0.0004271900000000, -0.0006211700000000, -0.0000593400000000 ] - [ -0.0000397300000000, -0.0002333200000000, -0.0000492700000000 ] - [ 0.0003411600000000, -0.0008093200000000, -0.0001856800000000 ] - [ -0.0002570300000000, -0.0003377300000000, -0.0001240400000000 ] - [ 0.0003230000000000, -0.0004906500000000, 0.0002132000000000 ] - [ 0.0007503900000000, 0.0011206300000000, 0.0006445500000000 ] - [ 0.0001476100000000, -0.0006547000000000, -0.0001248400000000 ] - [ 0.0003329900000000, -0.0006531200000000, 0.0001952700000000 ] - [ -0.0008994000000000, 0.0010499100000000, 0.0001597400000000 ] - [ -0.0009852700000000, -0.0017301300000000, -0.0002606900000000 ] - [ -0.0001052300000000, -0.0007300200000000, 0.0000917200000000 ] - [ 0.0003368700000000, -0.0001873400000000, 0.0001866100000000 ] - [ -0.0000167400000000, -0.0004432400000000, 0.0000525700000000 ] - [ -0.0003477400000000, 0.0000392800000000, 0.0001854100000000 ] - [ 0.0001768300000000, -0.0073822700000000, -0.0009836900000000 ] - [ 0.0004327200000000, -0.0002833500000000, -0.0010963900000000 ] - [ 0.0002957700000000, -0.0004302000000000, -0.0001995600000000 ] - [ 0.0001180500000000, -0.0005801600000000, 0.0001352600000000 ] - [ 0.0003861500000000, -0.0004860700000000, 0.0001631700000000 ] - [ 0.0001759700000000, 0.0000048200000000, -0.0000222200000000 ] - [ 0.0012750700000000, 0.0000236200000000, -0.0004566500000000 ] - [ -0.0001351500000000, -0.0004695300000000, -0.0001902500000000 ] - [ 0.0001963000000000, -0.0002943300000000, -0.0000848700000000 ] - [ 0.0006957200000000, 0.0003336000000000, -0.0022543100000000 ] - [ -0.0001406200000000, 0.0004196300000000, -0.0001524000000000 ] - [ 0.0003545200000000, -0.0010281900000000, 0.0005389300000000 ] - [ 0.0014849400000000, 0.0009136400000000, -0.0014948700000000 ] - [ -0.0002218600000000, -0.0002105400000000, 0.0000728900000000 ] - [ 0.0001557200000000, 0.0010387100000000, -0.0001586000000000 ] - [ 0.0001191700000000, -0.0005728400000000, -0.0000102000000000 ] - [ 0.0004834700000000, -0.0002580700000000, 0.0000203700000000 ] - [ -0.0002018800000000, -0.0003944600000000, 0.0001449300000000 ] - [ -0.0002167200000000, 0.0001121300000000, -0.0000221500000000 ] - [ 0.0000546600000000, -0.0004588900000000, 0.0001310400000000 ] - [ 0.0000789900000000, -0.0002500900000000, -0.0001168900000000 ] - [ 0.0000449500000000, -0.0004986100000000, -0.0001233500000000 ] - [ 0.0001434500000000, -0.0003613700000000, 0.0002149700000000 ] - [ -0.0000728800000000, -0.0006853300000000, 0.0000096900000000 ] - [ 0.0014104600000000, -0.0000057600000000, 0.0013176700000000 ] - [ -0.0000456300000000, -0.0007373800000000, -0.0000398700000000 ] - [ -0.0002568700000000, -0.0005573100000000, -0.0000173000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013936700000000, 0.0005726200000000, -0.0028773500000000 ] - [ 0.0001058000000000, -0.0000659900000000, 0.0001089100000000 ] - [ -0.0000032300000000, -0.0004216500000000, -0.0000008700000000 ] - [ 0.0001826100000000, 0.0000374700000000, -0.0002477800000000 ] - [ 0.0000058300000000, -0.0002857000000000, 0.0001069200000000 ] - [ 0.0000921000000000, 0.0001364900000000, 0.0000797000000000 ] - [ 0.0000295300000000, 0.0003336200000000, -0.0001282100000000 ] - [ 0.0000791800000000, 0.0001238000000000, -0.0000955000000000 ] - [ 0.0000733300000000, -0.0000372800000000, 0.0001723700000000 ] - [ -0.0004161300000000, -0.0041074900000000, 0.0035683400000000 ] - [ -0.0001597600000000, 0.0000405800000000, 0.0001257600000000 ] - [ 0.0005780100000000, -0.0007094800000000, -0.0007145400000000 ] - [ 0.0000822400000000, -0.0002792700000000, -0.0001722100000000 ] - [ -0.0001528000000000, 0.0000250000000000, -0.0001205800000000 ] - [ 0.0000667100000000, 0.0001330100000000, -0.0001522800000000 ] - [ -0.0001022600000000, 0.0000283000000000, -0.0001993300000000 ] - [ -0.0008805000000000, 0.0005726600000000, 0.0007939500000000 ] - [ -0.0003249400000000, -0.0000361100000000, 0.0004439900000000 ] - [ -0.0002228600000000, -0.0000022200000000, 0.0001123900000000 ] - [ -0.0000849100000000, 0.0000217400000000, 0.0001773000000000 ] - [ -0.0004285100000000, 0.0001810600000000, -0.0001887200000000 ] - [ 0.0003941700000000, -0.0002851300000000, 0.0013136600000000 ] - [ 0.0000136800000000, -0.0000038400000000, 0.0002430400000000 ] - [ 0.0000246000000000, 0.0003247200000000, 0.0001404500000000 ] - [ -0.0003475400000000, -0.0005463800000000, 0.0003657400000000 ] - [ -0.0000858200000000, -0.0000376700000000, -0.0001609500000000 ] - [ 0.0000498500000000, -0.0001145900000000, -0.0000712700000000 ] - [ 0.0001923800000000, -0.0001900700000000, -0.0011010100000000 ] - [ -0.0007212500000000, 0.0009769300000000, 0.0001252600000000 ] - [ 0.0000828900000000, -0.0002263500000000, -0.0001335800000000 ] - [ 0.0000693600000000, 0.0000235900000000, 0.0000712900000000 ] - [ 0.0000122000000000, 0.0002487500000000, -0.0001384800000000 ] - [ 0.0000112900000000, 0.0002658000000000, 0.0001328300000000 ] - [ 0.0000876000000000, 0.0000194300000000, -0.0000701500000000 ] - [ -0.0086283600000000, 0.0347172600000000, 0.0244078600000000 ] - [ -0.0000638900000000, -0.0002194700000000, -0.0001266100000000 ] - [ 0.0001204800000000, -0.0002336400000000, -0.0001453100000000 ] - [ -0.0004405100000000, 0.0002045900000000, -0.0001588400000000 ] - [ 0.0001876800000000, -0.0000373900000000, 0.0002512200000000 ] - [ -0.0001859200000000, -0.0001728300000000, 0.0002978500000000 ] - [ 0.0078818900000000, -0.0343019400000000, -0.0376606400000000 ] - [ -0.0000670300000000, 0.0001824000000000, -0.0000417100000000 ] - [ 0.0003594300000000, 0.0000874500000000, -0.0001800600000000 ] - [ -0.0000801500000000, 0.0000241500000000, 0.0000817500000000 ] - [ -0.0000049600000000, -0.0002172500000000, 0.0001042600000000 ] - [ 0.0007336000000000, 0.0003019000000000, 0.0008877500000000 ] - [ -0.0001051300000000, -0.0000829800000000, -0.0000206900000000 ] - [ 0.0000193200000000, -0.0000926300000000, 0.0002504200000000 ] - [ -0.0000026100000000, 0.0000828700000000, 0.0000749100000000 ] - [ -0.0000077400000000, 0.0000769000000000, 0.0000833000000000 ] - [ -0.0005601200000000, 0.0002328200000000, -0.0006074000000000 ] - [ 0.0001662800000000, 0.0000738200000000, 0.0001538800000000 ] - [ -0.0000270800000000, 0.0000970300000000, -0.0000828400000000 ] - [ 0.0003554300000000, -0.0001144500000000, -0.0001746800000000 ] - [ -0.0001165200000000, 0.0000134500000000, -0.0000686400000000 ] - [ 0.0003057700000000, -0.0000186900000000, 0.0002004500000000 ] - [ 0.0009312300000000, -0.0007202800000000, 0.0016805000000000 ] - [ 0.0001293300000000, -0.0000238900000000, -0.0001250100000000 ] - [ 0.0003713100000000, -0.0001237700000000, 0.0001892200000000 ] - [ 0.0003616900000000, 0.0001278700000000, 0.0005831300000000 ] - [ 0.0000613700000000, -0.0003058600000000, -0.0003677000000000 ] - [ -0.0000600300000000, 0.0000392500000000, 0.0000018300000000 ] - [ 0.0001213300000000, 0.0000686100000000, 0.0000577700000000 ] - [ -0.0000564500000000, 0.0000275600000000, 0.0000527300000000 ] - [ -0.0006898300000000, -0.0001104900000000, 0.0000454400000000 ] - [ -0.0003117600000000, -0.0009331800000000, -0.0011756000000000 ] - [ -0.0015032900000000, 0.0011506200000000, 0.0026551100000000 ] - [ 0.0003167100000000, -0.0000113200000000, -0.0002009700000000 ] - [ 0.0001381600000000, -0.0000171600000000, 0.0001273400000000 ] - [ 0.0003604400000000, 0.0000878200000000, 0.0001826000000000 ] - [ 0.0000632300000000, 0.0000697700000000, 0.0000632400000000 ] - [ -0.0000223500000000, -0.0002628600000000, 0.0004457500000000 ] - [ -0.0000337500000000, 0.0001261300000000, -0.0000993100000000 ] - [ 0.0000630000000000, -0.0001018000000000, -0.0000813300000000 ] - [ -0.0002399900000000, 0.0037102800000000, 0.0037744800000000 ] - [ 0.0002698600000000, 0.0004050500000000, 0.0001407000000000 ] - [ 0.0000426800000000, -0.0000550000000000, 0.0008333900000000 ] - [ -0.0008523700000000, 0.0012128000000000, -0.0001665800000000 ] - [ 0.0000779900000000, 0.0001261100000000, 0.0000401000000000 ] - [ 0.0000535900000000, -0.0001606300000000, 0.0000766300000000 ] - [ 0.0000285300000000, -0.0001196900000000, -0.0000721500000000 ] - [ -0.0001781800000000, -0.0002360900000000, -0.0001504600000000 ] - [ -0.0000444200000000, -0.0003932500000000, 0.0002219000000000 ] - [ 0.0000983200000000, 0.0002007200000000, -0.0000161800000000 ] - [ 0.0000519500000000, -0.0000171400000000, 0.0001291800000000 ] - [ -0.0000286600000000, -0.0001637500000000, -0.0000649800000000 ] - [ 0.0000470200000000, -0.0000089500000000, -0.0001321200000000 ] - [ -0.0001624800000000, 0.0001365000000000, -0.0001573100000000 ] - [ -0.0000774300000000, -0.0001095900000000, -0.0000100000000000 ] - [ 0.0013301000000000, -0.0007392300000000, 0.0024697600000000 ] - [ -0.0000787800000000, -0.0001220900000000, 0.0000034800000000 ] - [ -0.0001144300000000, -0.0000727700000000, 0.0000101200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0014530500000000, 0.0000076100000000, 0.0026185900000000 ] - [ 0.0000655200000000, -0.0001366000000000, 0.0000788300000000 ] - [ -0.0000464900000000, -0.0001889600000000, 0.0002814200000000 ] - [ -0.0003775400000000, -0.0000742000000000, -0.0001100000000000 ] - [ 0.0000480500000000, -0.0003172700000000, 0.0001702900000000 ] - [ 0.0000790400000000, 0.0000747800000000, 0.0001083100000000 ] - [ 0.0000246200000000, 0.0002786700000000, -0.0001494900000000 ] - [ 0.0000909400000000, 0.0000874900000000, -0.0000926700000000 ] - [ 0.0001237400000000, -0.0000028900000000, 0.0001839500000000 ] - [ 0.0006560600000000, 0.0039185200000000, -0.0036263000000000 ] - [ -0.0001494600000000, -0.0000362200000000, 0.0001164200000000 ] - [ -0.0006398600000000, 0.0001103900000000, 0.0004410600000000 ] - [ -0.0000284900000000, -0.0003241700000000, -0.0001055000000000 ] - [ -0.0001565400000000, -0.0000209900000000, -0.0001215000000000 ] - [ 0.0001290000000000, -0.0001639100000000, -0.0002034200000000 ] - [ -0.0000959700000000, 0.0000161300000000, -0.0001579200000000 ] - [ 0.0006709000000000, -0.0003851700000000, -0.0010154100000000 ] - [ 0.0001470500000000, -0.0001701700000000, -0.0002596800000000 ] - [ 0.0000250500000000, -0.0000342200000000, 0.0002439400000000 ] - [ -0.0001111000000000, 0.0000218300000000, 0.0001801200000000 ] - [ 0.0003606500000000, 0.0004099600000000, 0.0004637600000000 ] - [ -0.0005658800000000, 0.0004839800000000, -0.0011293800000000 ] - [ 0.0001817800000000, 0.0000425600000000, 0.0001155700000000 ] - [ 0.0000296000000000, 0.0002868500000000, 0.0001374400000000 ] - [ 0.0001869300000000, 0.0003404300000000, -0.0005583400000000 ] - [ 0.0003904200000000, 0.0000318700000000, 0.0004069500000000 ] - [ 0.0001209100000000, -0.0000882800000000, -0.0001163400000000 ] - [ 0.0000054000000000, 0.0002121700000000, 0.0007601800000000 ] - [ 0.0006929400000000, -0.0004306000000000, 0.0001728000000000 ] - [ -0.0001050100000000, -0.0002521900000000, 0.0003831200000000 ] - [ 0.0000819700000000, -0.0000194200000000, 0.0000785500000000 ] - [ 0.0000139700000000, 0.0002410300000000, -0.0001139400000000 ] - [ 0.0000138400000000, 0.0002251800000000, 0.0001292400000000 ] - [ 0.0000632500000000, -0.0000149600000000, -0.0000793900000000 ] - [ 0.0086741100000000, -0.0355038000000000, -0.0246613100000000 ] - [ 0.0000354600000000, -0.0002639000000000, -0.0001356200000000 ] - [ -0.0000924000000000, -0.0002462600000000, -0.0001167900000000 ] - [ 0.0004118000000000, 0.0002801000000000, -0.0000862000000000 ] - [ -0.0003455800000000, 0.0000356100000000, -0.0001061600000000 ] - [ 0.0002098600000000, -0.0003052600000000, -0.0000401900000000 ] - [ -0.0086611200000000, 0.0356039300000000, 0.0372554100000000 ] - [ -0.0006471300000000, 0.0000431500000000, 0.0004087400000000 ] - [ 0.0003567800000000, 0.0001272100000000, -0.0001856000000000 ] - [ 0.0001252000000000, -0.0002232400000000, 0.0000815800000000 ] - [ 0.0000373500000000, -0.0000015200000000, 0.0000430700000000 ] - [ -0.0005057900000000, -0.0004289400000000, -0.0008410400000000 ] - [ -0.0001110100000000, -0.0000597500000000, -0.0000240900000000 ] - [ -0.0001250100000000, 0.0001011900000000, 0.0000033700000000 ] - [ -0.0000284000000000, 0.0001267500000000, 0.0000733300000000 ] - [ -0.0000367000000000, 0.0001167300000000, 0.0000775500000000 ] - [ -0.0000484300000000, -0.0002253700000000, 0.0001966000000000 ] - [ -0.0002122500000000, -0.0002726400000000, 0.0000066400000000 ] - [ -0.0000189000000000, 0.0000973700000000, -0.0000784700000000 ] - [ 0.0003603600000000, -0.0001079800000000, -0.0001907400000000 ] - [ -0.0000994800000000, 0.0001237200000000, 0.0000230800000000 ] - [ 0.0003143500000000, 0.0000159500000000, 0.0002127300000000 ] - [ -0.0011803900000000, 0.0007200200000000, -0.0019442300000000 ] - [ 0.0001322100000000, 0.0000200500000000, -0.0001397400000000 ] - [ 0.0003446300000000, -0.0000983900000000, 0.0001765700000000 ] - [ -0.0006301600000000, -0.0001154500000000, -0.0003217100000000 ] - [ -0.0000989500000000, 0.0000804500000000, 0.0005129700000000 ] - [ -0.0000947100000000, 0.0001519600000000, 0.0000149200000000 ] - [ 0.0000963800000000, 0.0000698800000000, -0.0000127100000000 ] - [ -0.0000990600000000, 0.0001646300000000, -0.0000690600000000 ] - [ -0.0000214300000000, -0.0001056700000000, 0.0003222200000000 ] - [ -0.0004058100000000, 0.0006704500000000, 0.0008146400000000 ] - [ 0.0016169500000000, -0.0013628300000000, -0.0026140300000000 ] - [ 0.0003035900000000, 0.0000087400000000, -0.0002121300000000 ] - [ 0.0001236200000000, 0.0000137700000000, 0.0001374200000000 ] - [ 0.0003555300000000, 0.0001267900000000, 0.0001830100000000 ] - [ 0.0000934300000000, 0.0001269000000000, -0.0000784600000000 ] - [ 0.0002461900000000, 0.0001142300000000, -0.0005015900000000 ] - [ 0.0000000700000000, 0.0000839100000000, -0.0000483900000000 ] - [ -0.0000159600000000, -0.0000954100000000, -0.0000795700000000 ] - [ 0.0001183400000000, -0.0037635900000000, -0.0041086900000000 ] - [ -0.0002284700000000, -0.0002112800000000, -0.0003032700000000 ] - [ -0.0000102800000000, 0.0002707200000000, -0.0006880600000000 ] - [ 0.0002684700000000, -0.0012252200000000, 0.0005693200000000 ] - [ 0.0001348300000000, 0.0000130900000000, -0.0000843900000000 ] - [ 0.0001061600000000, -0.0000282000000000, -0.0000950300000000 ] - [ 0.0000047100000000, -0.0000960900000000, -0.0000754700000000 ] - [ 0.0001458900000000, 0.0000168100000000, 0.0000036400000000 ] - [ 0.0001951200000000, 0.0005767700000000, -0.0002055900000000 ] - [ -0.0000649200000000, 0.0000128200000000, -0.0001305800000000 ] - [ 0.0000521900000000, 0.0000143300000000, 0.0001248900000000 ] - [ -0.0000169300000000, -0.0000357800000000, -0.0000957000000000 ] - [ 0.0000572300000000, 0.0000060800000000, -0.0001221900000000 ] - [ -0.0000529600000000, 0.0000027100000000, 0.0002011900000000 ] - [ -0.0000774600000000, -0.0000901700000000, -0.0000062500000000 ] - [ -0.0012849600000000, 0.0009495600000000, -0.0023177600000000 ] - [ -0.0000758400000000, -0.0000778700000000, 0.0000121500000000 ] - [ -0.0001025400000000, -0.0000710100000000, 0.0000345300000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000995400000000, 0.0000875500000000, -0.0002879300000000 ] - [ 0.0001352500000000, -0.0000789400000000, 0.0000786000000000 ] - [ -0.0002273400000000, 0.0006606800000000, -0.0007177000000000 ] - [ -0.0000883900000000, 0.0000204300000000, -0.0001894900000000 ] - [ -0.0000080700000000, -0.0002844400000000, 0.0001563200000000 ] - [ 0.0002687400000000, -0.0001466200000000, 0.0001638000000000 ] - [ 0.0002811300000000, 0.0001806200000000, -0.0002686100000000 ] - [ -0.0000886400000000, 0.0002549300000000, -0.0001544200000000 ] - [ -0.0010469100000000, -0.0004410400000000, 0.0007600200000000 ] - [ 0.0009344300000000, 0.0001334400000000, -0.0001996500000000 ] - [ -0.0001583200000000, -0.0001124300000000, 0.0001368800000000 ] - [ 0.0077268800000000, 0.0063006000000000, -0.0035498000000000 ] - [ 0.0000610800000000, -0.0002611500000000, -0.0001134000000000 ] - [ -0.0001596600000000, 0.0001282000000000, -0.0001391400000000 ] - [ 0.0011685000000000, 0.0004372900000000, -0.0012092900000000 ] - [ 0.0020978400000000, -0.0013452100000000, -0.0015517800000000 ] - [ 0.0001003800000000, 0.0003864500000000, -0.0000833300000000 ] - [ -0.0008280200000000, -0.0003389000000000, 0.0003974300000000 ] - [ -0.0001044700000000, 0.0000118300000000, 0.0001641700000000 ] - [ -0.0007726500000000, -0.0011445700000000, -0.0003404000000000 ] - [ -0.0001430400000000, 0.0006022400000000, 0.0001265600000000 ] - [ -0.0003142000000000, -0.0000914300000000, 0.0001939700000000 ] - [ 0.0000664300000000, 0.0000975000000000, 0.0001813600000000 ] - [ -0.0002642100000000, 0.0002872600000000, 0.0002302100000000 ] - [ 0.0083592100000000, -0.0056231700000000, -0.0014057600000000 ] - [ -0.0004002100000000, 0.0001509400000000, 0.0000678700000000 ] - [ 0.0000402200000000, -0.0000695600000000, -0.0001011300000000 ] - [ 0.0001358400000000, 0.0000050800000000, -0.0001868700000000 ] - [ 0.0000600000000000, 0.0003013000000000, 0.0001446500000000 ] - [ 0.0297316600000000, 0.0075457300000000, 0.0305716000000000 ] - [ 0.0000017800000000, -0.0000686900000000, 0.0001165800000000 ] - [ 0.0006273900000000, -0.0010898100000000, -0.0002921400000000 ] - [ -0.0000765500000000, 0.0009953500000000, 0.0002439800000000 ] - [ 0.0001837900000000, 0.0001974700000000, 0.0001367300000000 ] - [ 0.0000058000000000, -0.0005425200000000, 0.0004420300000000 ] - [ -0.0018489000000000, -0.0005263900000000, -0.0005623400000000 ] - [ 0.0000424100000000, -0.0001955700000000, -0.0001485500000000 ] - [ -0.0000978200000000, 0.0002661700000000, -0.0001227200000000 ] - [ -0.0004226700000000, 0.0004661600000000, 0.0003013600000000 ] - [ -0.0000190500000000, -0.0002230800000000, 0.0001087100000000 ] - [ -0.0005017300000000, 0.0002843400000000, -0.0002861700000000 ] - [ -0.0002469300000000, -0.0000642300000000, 0.0001432000000000 ] - [ 0.0001858600000000, -0.0002991700000000, -0.0003730500000000 ] - [ -0.0554819800000000, -0.0088098400000000, -0.0276668100000000 ] - [ -0.0012541200000000, 0.0007999400000000, 0.0009904400000000 ] - [ 0.0001489400000000, 0.0000018000000000, 0.0000509500000000 ] - [ 0.0004236600000000, -0.0003429000000000, 0.0001672300000000 ] - [ 0.0000916800000000, -0.0001088500000000, 0.0001357800000000 ] - [ 0.0021543700000000, -0.0009148400000000, 0.0016246000000000 ] - [ 0.0000363800000000, -0.0002147600000000, 0.0000111100000000 ] - [ -0.0002039500000000, -0.0006818500000000, -0.0007030300000000 ] - [ -0.0000148200000000, -0.0001005400000000, 0.0000783300000000 ] - [ -0.0000776700000000, 0.0004380800000000, -0.0001554500000000 ] - [ 0.0003407600000000, -0.0002577500000000, -0.0001971400000000 ] - [ -0.0000874300000000, 0.0000457500000000, -0.0000182900000000 ] - [ 0.0002209500000000, -0.0000122500000000, 0.0001561900000000 ] - [ 0.0001102700000000, 0.0013586400000000, -0.0013249600000000 ] - [ 0.0000494300000000, 0.0000049000000000, -0.0001235100000000 ] - [ 0.0003693800000000, -0.0000910900000000, 0.0001786600000000 ] - [ -0.0000886700000000, -0.0007375400000000, 0.0005406400000000 ] - [ -0.0000061700000000, -0.0001027800000000, 0.0000669500000000 ] - [ -0.0000652900000000, 0.0000660600000000, 0.0000137900000000 ] - [ 0.0018638900000000, 0.0001289700000000, -0.0015399100000000 ] - [ -0.0000906000000000, 0.0000858200000000, -0.0000040100000000 ] - [ 0.0005215000000000, -0.0002714900000000, -0.0000673300000000 ] - [ -0.0003474200000000, 0.0012872300000000, 0.0011323800000000 ] - [ 0.0000021800000000, -0.0001597900000000, -0.0000029400000000 ] - [ 0.0003846400000000, -0.0000111400000000, -0.0002242700000000 ] - [ 0.0002144300000000, -0.0000289800000000, 0.0001195700000000 ] - [ 0.0004282800000000, 0.0002108600000000, 0.0001772400000000 ] - [ 0.0024411400000000, -0.0005903800000000, -0.0002661700000000 ] - [ 0.0000716800000000, -0.0001719400000000, -0.0000289600000000 ] - [ 0.0011226300000000, 0.0012826900000000, -0.0015887100000000 ] - [ 0.0009506700000000, -0.0000126900000000, 0.0001758200000000 ] - [ -0.0006238100000000, -0.0000776300000000, 0.0000931900000000 ] - [ 0.0001317700000000, 0.0000764200000000, -0.0000629600000000 ] - [ -0.0000104700000000, 0.0000704000000000, 0.0000758300000000 ] - [ -0.0003046900000000, 0.0003707300000000, 0.0004998600000000 ] - [ 0.0029954500000000, 0.0005388900000000, 0.0038550400000000 ] - [ 0.0001502000000000, -0.0001246100000000, 0.0000091900000000 ] - [ 0.0008960400000000, 0.0001201600000000, -0.0001878200000000 ] - [ -0.0000341400000000, -0.0001650800000000, -0.0000673800000000 ] - [ -0.0008300600000000, 0.0001222800000000, 0.0010677800000000 ] - [ 0.0000362800000000, 0.0000710700000000, -0.0000797700000000 ] - [ 0.0000869700000000, 0.0000432100000000, 0.0001326000000000 ] - [ -0.0000295000000000, -0.0001296300000000, -0.0000834300000000 ] - [ 0.0000193800000000, -0.0000641400000000, -0.0001536300000000 ] - [ -0.0001243500000000, 0.0000545600000000, 0.0000256500000000 ] - [ -0.0000333100000000, 0.0003269200000000, 0.0002825100000000 ] - [ -0.0000687500000000, 0.0000821700000000, 0.0000712800000000 ] - [ 0.0000980200000000, -0.0004346000000000, 0.0002816600000000 ] - [ -0.0010801600000000, 0.0001748800000000, -0.0000500900000000 ]- atom: 44 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001517400000000, 0.0005175600000000, 0.0000083200000000 ] - [ 0.0000356100000000, -0.0001295700000000, 0.0001093600000000 ] - [ 0.0001721100000000, -0.0012720700000000, 0.0010024800000000 ] - [ -0.0001081100000000, -0.0000623400000000, -0.0001676100000000 ] - [ 0.0000621100000000, -0.0003241300000000, 0.0001218500000000 ] - [ -0.0000992300000000, 0.0003499500000000, 0.0000228100000000 ] - [ -0.0002252200000000, 0.0004234400000000, -0.0000070200000000 ] - [ 0.0002589900000000, -0.0000477100000000, -0.0000328900000000 ] - [ 0.0012507900000000, 0.0004054900000000, -0.0004123400000000 ] - [ -0.0006238700000000, -0.0001340800000000, -0.0000449100000000 ] - [ -0.0001512200000000, 0.0001104400000000, 0.0001056500000000 ] - [ -0.0075997700000000, -0.0066807700000000, 0.0031652700000000 ] - [ -0.0000067900000000, -0.0003478000000000, -0.0001646200000000 ] - [ -0.0001489400000000, -0.0001299100000000, -0.0001034800000000 ] - [ -0.0009498200000000, -0.0004651400000000, 0.0008412700000000 ] - [ -0.0022364700000000, 0.0012941100000000, 0.0011439800000000 ] - [ -0.0002727600000000, -0.0001817900000000, -0.0001041800000000 ] - [ 0.0006562300000000, 0.0001373700000000, -0.0002061100000000 ] - [ -0.0000927400000000, -0.0000540400000000, 0.0001930100000000 ] - [ 0.0005728800000000, 0.0011946500000000, 0.0007047000000000 ] - [ 0.0000892400000000, 0.0000028800000000, 0.0001512700000000 ] - [ 0.0001433900000000, 0.0002966100000000, -0.0000054000000000 ] - [ 0.0001303200000000, -0.0000582700000000, 0.0001755500000000 ] - [ 0.0003184000000000, 0.0003197300000000, 0.0000471300000000 ] - [ -0.0087605200000000, 0.0056620500000000, 0.0012745600000000 ] - [ 0.0007086400000000, -0.0001522700000000, 0.0001739800000000 ] - [ 0.0001307200000000, -0.0001383800000000, -0.0000870900000000 ] - [ 0.0000613400000000, 0.0000340700000000, -0.0001699200000000 ] - [ -0.0000861900000000, 0.0001821500000000, 0.0001169000000000 ] - [ -0.0301501400000000, -0.0082413800000000, -0.0312531800000000 ] - [ 0.0001487900000000, 0.0000670100000000, 0.0000322700000000 ] - [ -0.0006092100000000, 0.0015728900000000, 0.0000358600000000 ] - [ 0.0001042600000000, -0.0005267900000000, 0.0000296200000000 ] - [ -0.0000327200000000, -0.0001985300000000, -0.0002835300000000 ] - [ -0.0001547600000000, 0.0005399800000000, -0.0005875300000000 ] - [ 0.0018253900000000, 0.0000440600000000, 0.0003033200000000 ] - [ -0.0000166100000000, -0.0002909400000000, -0.0001136200000000 ] - [ 0.0000719200000000, 0.0002171300000000, -0.0001297500000000 ] - [ 0.0002753500000000, -0.0004659300000000, -0.0001508500000000 ] - [ 0.0000447000000000, -0.0002640800000000, 0.0001439700000000 ] - [ -0.0002146500000000, -0.0000642300000000, -0.0000808700000000 ] - [ -0.0004687800000000, 0.0002836500000000, 0.0002222800000000 ] - [ 0.0005293300000000, 0.0005169400000000, 0.0000055000000000 ] - [ 0.0559461100000000, 0.0083925700000000, 0.0288983000000000 ] - [ 0.0012936600000000, -0.0010143100000000, -0.0008422000000000 ] - [ 0.0000669100000000, -0.0001410900000000, -0.0000058900000000 ] - [ -0.0006355900000000, 0.0002009300000000, -0.0002123400000000 ] - [ -0.0001965100000000, 0.0001090400000000, 0.0001179200000000 ] - [ -0.0021643400000000, 0.0011383200000000, -0.0014654200000000 ] - [ -0.0000838300000000, 0.0004128000000000, 0.0001480500000000 ] - [ -0.0004162400000000, 0.0006848200000000, 0.0002941400000000 ] - [ -0.0000306700000000, -0.0000948800000000, 0.0000827200000000 ] - [ 0.0000354600000000, -0.0002414900000000, -0.0000041300000000 ] - [ 0.0003750000000000, 0.0000396800000000, -0.0001683900000000 ] - [ -0.0001290300000000, 0.0000956700000000, -0.0000267300000000 ] - [ 0.0003986900000000, 0.0000137600000000, 0.0002563700000000 ] - [ -0.0003705600000000, -0.0013499200000000, 0.0010505400000000 ] - [ 0.0002121500000000, -0.0000021000000000, -0.0001409800000000 ] - [ 0.0003466700000000, -0.0001259000000000, 0.0001870200000000 ] - [ -0.0001728000000000, 0.0007384200000000, -0.0002769200000000 ] - [ -0.0000264600000000, -0.0001090000000000, 0.0000802400000000 ] - [ -0.0000893800000000, 0.0001314200000000, 0.0000026500000000 ] - [ -0.0016488900000000, 0.0000087900000000, 0.0015729000000000 ] - [ -0.0000638100000000, 0.0001117800000000, -0.0000119600000000 ] - [ -0.0012354800000000, 0.0000497900000000, 0.0004311200000000 ] - [ -0.0003815700000000, -0.0014951900000000, -0.0014828300000000 ] - [ 0.0001526800000000, -0.0000350500000000, 0.0000192000000000 ] - [ 0.0002359300000000, 0.0000119800000000, -0.0001888100000000 ] - [ 0.0000476000000000, 0.0000302100000000, 0.0001449000000000 ] - [ 0.0002875500000000, 0.0000079400000000, 0.0001891100000000 ] - [ -0.0022915600000000, 0.0007868200000000, 0.0002512800000000 ] - [ 0.0001442300000000, 0.0000323500000000, -0.0000156900000000 ] - [ -0.0011594900000000, -0.0010700900000000, 0.0014574300000000 ] - [ -0.0009072100000000, -0.0001852200000000, -0.0003412500000000 ] - [ 0.0005175600000000, 0.0000686800000000, -0.0003494700000000 ] - [ -0.0000858800000000, 0.0001210600000000, -0.0000984000000000 ] - [ 0.0000430700000000, 0.0001445500000000, 0.0000718800000000 ] - [ -0.0003148700000000, -0.0003693000000000, -0.0000853700000000 ] - [ -0.0028680600000000, -0.0003964600000000, -0.0039401900000000 ] - [ 0.0000045100000000, -0.0000702300000000, -0.0000256100000000 ] - [ -0.0008654000000000, -0.0003364900000000, 0.0000405900000000 ] - [ 0.0000017400000000, -0.0000470500000000, -0.0000808200000000 ] - [ 0.0009965900000000, 0.0000790600000000, -0.0010728300000000 ] - [ -0.0000034200000000, 0.0001437900000000, -0.0000671900000000 ] - [ 0.0000172600000000, -0.0000420500000000, 0.0001213500000000 ] - [ -0.0000158600000000, -0.0000659200000000, -0.0000775400000000 ] - [ 0.0000842500000000, 0.0000652800000000, -0.0001009800000000 ] - [ -0.0000920400000000, 0.0000871600000000, 0.0000193400000000 ] - [ -0.0001191400000000, -0.0005208000000000, -0.0002970400000000 ] - [ 0.0001143600000000, 0.0001147000000000, 0.0000900200000000 ] - [ -0.0002526800000000, 0.0002412300000000, -0.0002643200000000 ] - [ 0.0008685400000000, -0.0002920900000000, 0.0000902400000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002441900000000, -0.0002739000000000, -0.0000977300000000 ] - [ 0.0000280100000000, -0.0005839800000000, 0.0000720600000000 ] - [ 0.0005114400000000, 0.0004047000000000, 0.0000279900000000 ] - [ -0.0001274100000000, -0.0004455700000000, -0.0002178000000000 ] - [ 0.0000184100000000, -0.0006892300000000, 0.0001440200000000 ] - [ -0.0003584700000000, -0.0006295300000000, -0.0000848500000000 ] - [ 0.0002927900000000, -0.0005040500000000, -0.0000317600000000 ] - [ 0.0002433800000000, 0.0000524300000000, -0.0001359900000000 ] - [ -0.0001629400000000, 0.0006454300000000, 0.0002656400000000 ] - [ 0.0001400500000000, -0.0001402600000000, 0.0002541300000000 ] - [ -0.0002651800000000, -0.0003850300000000, 0.0001660400000000 ] - [ 0.0070733100000000, 0.0080741300000000, -0.0035079800000000 ] - [ 0.0000615900000000, -0.0007965300000000, -0.0001168700000000 ] - [ -0.0000135900000000, -0.0003659600000000, -0.0001226200000000 ] - [ 0.0004532500000000, 0.0024679200000000, -0.0025596900000000 ] - [ -0.0016790200000000, 0.0052081800000000, 0.0021091800000000 ] - [ 0.0001771600000000, -0.0005004500000000, -0.0001678600000000 ] - [ -0.0001758800000000, 0.0006441900000000, -0.0001058300000000 ] - [ -0.0001051600000000, -0.0003976600000000, 0.0002299900000000 ] - [ -0.0009847700000000, 0.0003863400000000, 0.0000285000000000 ] - [ 0.0000715500000000, -0.0000884100000000, 0.0001602700000000 ] - [ -0.0002064200000000, -0.0003194200000000, 0.0000920800000000 ] - [ 0.0000912100000000, -0.0003192900000000, 0.0001284000000000 ] - [ -0.0000372900000000, 0.0002186200000000, 0.0001047300000000 ] - [ -0.0052778300000000, 0.0065477600000000, 0.0013633900000000 ] - [ 0.0000726800000000, 0.0000431800000000, 0.0001423400000000 ] - [ 0.0001132700000000, -0.0004968600000000, -0.0001018700000000 ] - [ 0.0000779000000000, -0.0003808400000000, -0.0001367500000000 ] - [ 0.0000187600000000, -0.0002093100000000, 0.0001800400000000 ] - [ 0.0077203900000000, 0.0082991100000000, 0.0092877900000000 ] - [ 0.0000718200000000, -0.0003015700000000, -0.0000210100000000 ] - [ -0.0016457200000000, 0.0010611700000000, 0.0003743700000000 ] - [ 0.0005649200000000, 0.0014821300000000, -0.0002783100000000 ] - [ 0.0001112300000000, -0.0005440200000000, -0.0001759500000000 ] - [ -0.0003676600000000, -0.0001977300000000, -0.0011970900000000 ] - [ 0.0001175300000000, 0.0006116300000000, -0.0000927500000000 ] - [ -0.0000085000000000, -0.0006657100000000, -0.0001353200000000 ] - [ -0.0000585600000000, -0.0001445600000000, -0.0001557600000000 ] - [ 0.0002273000000000, -0.0001897800000000, 0.0000674300000000 ] - [ 0.0000126800000000, -0.0006558100000000, 0.0001213500000000 ] - [ -0.0003154500000000, 0.0003646700000000, -0.0000583700000000 ] - [ -0.0003967500000000, 0.0003059100000000, 0.0001859200000000 ] - [ 0.0003222800000000, 0.0006345800000000, -0.0000098700000000 ] - [ -0.0086851600000000, -0.0344479300000000, -0.0058624300000000 ] - [ 0.0011967900000000, 0.0008815500000000, 0.0032529000000000 ] - [ 0.0000730300000000, 0.0002105100000000, 0.0000054000000000 ] - [ -0.0001641500000000, -0.0004234400000000, 0.0001525100000000 ] - [ -0.0001517200000000, -0.0000464800000000, 0.0000939000000000 ] - [ 0.0000150300000000, -0.0014498100000000, 0.0000109600000000 ] - [ -0.0003367000000000, -0.0003248300000000, 0.0004108000000000 ] - [ -0.0004965800000000, 0.0003323900000000, 0.0001873700000000 ] - [ -0.0000200900000000, 0.0001387100000000, 0.0000533900000000 ] - [ 0.0003173400000000, -0.0001709500000000, -0.0001302400000000 ] - [ 0.0003540100000000, 0.0003462500000000, -0.0001627700000000 ] - [ -0.0001673300000000, 0.0003121800000000, -0.0000328300000000 ] - [ 0.0003314100000000, 0.0003850100000000, 0.0001849600000000 ] - [ 0.0000944600000000, 0.0006585900000000, -0.0008981500000000 ] - [ 0.0001839800000000, 0.0006590900000000, -0.0001121000000000 ] - [ 0.0003972400000000, 0.0002226900000000, 0.0001825600000000 ] - [ -0.0004645500000000, 0.0003116300000000, -0.0003957000000000 ] - [ 0.0000144400000000, 0.0002885500000000, 0.0001268900000000 ] - [ -0.0000733800000000, 0.0004480600000000, -0.0000062300000000 ] - [ -0.0003472200000000, -0.0009392300000000, 0.0001787100000000 ] - [ -0.0000461500000000, 0.0004672200000000, 0.0000032200000000 ] - [ -0.0013878300000000, -0.0004364800000000, 0.0004920700000000 ] - [ 0.0002993000000000, -0.0000104000000000, 0.0006608000000000 ] - [ 0.0000764800000000, 0.0002713100000000, -0.0000044900000000 ] - [ 0.0003168200000000, 0.0001751400000000, -0.0001923900000000 ] - [ 0.0001130300000000, 0.0002312200000000, 0.0001322900000000 ] - [ 0.0004026300000000, 0.0002617800000000, 0.0002466000000000 ] - [ 0.0011221400000000, -0.0009521000000000, -0.0001363500000000 ] - [ 0.0000324800000000, 0.0001986100000000, -0.0000193300000000 ] - [ 0.0004337500000000, -0.0012112700000000, -0.0004415700000000 ] - [ 0.0001087500000000, -0.0004837700000000, -0.0000668100000000 ] - [ 0.0001699400000000, 0.0015856200000000, 0.0002610800000000 ] - [ 0.0000454300000000, 0.0003136000000000, -0.0001016100000000 ] - [ 0.0000437900000000, 0.0005262800000000, 0.0000098800000000 ] - [ -0.0000625700000000, 0.0002795800000000, 0.0005196600000000 ] - [ 0.0003462900000000, -0.0016541800000000, 0.0002166800000000 ] - [ 0.0001597900000000, 0.0001891800000000, -0.0000021100000000 ] - [ -0.0005016400000000, -0.0008822500000000, 0.0001456500000000 ] - [ 0.0000034900000000, 0.0002980600000000, -0.0001194500000000 ] - [ -0.0009848200000000, -0.0011622300000000, -0.0028504900000000 ] - [ 0.0000472700000000, 0.0004740100000000, -0.0000193900000000 ] - [ 0.0000918700000000, 0.0002442800000000, 0.0001327500000000 ] - [ 0.0000088200000000, 0.0001292600000000, -0.0000560200000000 ] - [ -0.0000253800000000, 0.0002882800000000, -0.0001501900000000 ] - [ -0.0001599700000000, 0.0003724400000000, 0.0000355900000000 ] - [ 0.0006714500000000, 0.0000491100000000, 0.0002809300000000 ] - [ 0.0000393600000000, 0.0004295100000000, 0.0000975200000000 ] - [ -0.0003815700000000, 0.0000235000000000, -0.0001664500000000 ] - [ 0.0007840600000000, 0.0053655300000000, -0.0021416300000000 ]- atom: 44 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001888600000000, 0.0008804000000000, -0.0001809800000000 ] - [ 0.0001432600000000, 0.0003777100000000, 0.0001165900000000 ] - [ -0.0005664000000000, -0.0010051000000000, 0.0002474300000000 ] - [ -0.0000694100000000, 0.0004053400000000, -0.0001388300000000 ] - [ 0.0000354900000000, 0.0000822500000000, 0.0001348300000000 ] - [ 0.0005318200000000, 0.0008326900000000, 0.0002744800000000 ] - [ -0.0002379000000000, 0.0011096100000000, -0.0002449800000000 ] - [ -0.0000743200000000, 0.0001539600000000, -0.0000526600000000 ] - [ 0.0003579700000000, -0.0006878400000000, 0.0000915400000000 ] - [ 0.0001686100000000, 0.0001478100000000, -0.0004927400000000 ] - [ -0.0000436800000000, 0.0003841100000000, 0.0000759000000000 ] - [ -0.0069216900000000, -0.0085488700000000, 0.0031382200000000 ] - [ -0.0000078800000000, 0.0001900600000000, -0.0001621600000000 ] - [ -0.0002966100000000, 0.0003663800000000, -0.0001192700000000 ] - [ -0.0002522300000000, -0.0024813500000000, 0.0022187700000000 ] - [ 0.0016280300000000, -0.0053504700000000, -0.0025742800000000 ] - [ -0.0003461500000000, 0.0007062300000000, -0.0000215100000000 ] - [ 0.0000081700000000, -0.0008474500000000, 0.0002935700000000 ] - [ -0.0000918500000000, 0.0003570600000000, 0.0001268000000000 ] - [ 0.0007866000000000, -0.0003521000000000, 0.0003272100000000 ] - [ -0.0001252000000000, 0.0006957100000000, 0.0001184600000000 ] - [ 0.0000357900000000, 0.0005269200000000, 0.0000966100000000 ] - [ 0.0001057000000000, 0.0003598700000000, 0.0002284300000000 ] - [ 0.0000904200000000, 0.0003875100000000, 0.0001745100000000 ] - [ 0.0049125700000000, -0.0066199500000000, -0.0014954900000000 ] - [ 0.0002362500000000, -0.0000424500000000, 0.0000999100000000 ] - [ 0.0000574200000000, 0.0002906100000000, -0.0000869300000000 ] - [ 0.0001192000000000, 0.0004216900000000, -0.0002204900000000 ] - [ -0.0000442200000000, 0.0006941600000000, 0.0000823500000000 ] - [ -0.0076801000000000, -0.0086583200000000, -0.0089517600000000 ] - [ 0.0000788200000000, 0.0003001200000000, 0.0001705200000000 ] - [ 0.0016670700000000, -0.0005853600000000, -0.0006256500000000 ] - [ -0.0005365900000000, -0.0010007000000000, 0.0005396400000000 ] - [ 0.0000382700000000, 0.0005453400000000, 0.0000267700000000 ] - [ 0.0002154600000000, 0.0002118100000000, 0.0010385700000000 ] - [ -0.0001403000000000, -0.0011008700000000, -0.0001648800000000 ] - [ 0.0000343400000000, 0.0001810200000000, -0.0001266900000000 ] - [ 0.0000330500000000, 0.0006295300000000, -0.0000966800000000 ] - [ -0.0003780800000000, 0.0001888200000000, 0.0000801900000000 ] - [ 0.0000127900000000, 0.0001708100000000, 0.0001313000000000 ] - [ -0.0004007800000000, -0.0001477100000000, -0.0003057200000000 ] - [ -0.0003194400000000, -0.0000880700000000, 0.0001795400000000 ] - [ 0.0003936700000000, -0.0004153500000000, -0.0003562600000000 ] - [ 0.0085115700000000, 0.0341147400000000, 0.0060810400000000 ] - [ -0.0011679100000000, -0.0011085600000000, -0.0031366300000000 ] - [ 0.0001430800000000, -0.0003513100000000, 0.0000392700000000 ] - [ -0.0000507200000000, 0.0002830000000000, -0.0001976600000000 ] - [ 0.0000472300000000, 0.0000450200000000, 0.0001603600000000 ] - [ -0.0000682300000000, 0.0016550100000000, 0.0001324600000000 ] - [ 0.0002914600000000, 0.0005225800000000, -0.0002521400000000 ] - [ -0.0001224500000000, -0.0003333800000000, -0.0005986000000000 ] - [ -0.0000253000000000, -0.0003351600000000, 0.0001078700000000 ] - [ -0.0003615600000000, 0.0003697700000000, -0.0000315800000000 ] - [ 0.0003620200000000, -0.0005658500000000, -0.0002025100000000 ] - [ -0.0000487500000000, -0.0001717600000000, -0.0000122000000000 ] - [ 0.0002875100000000, -0.0003858200000000, 0.0002283700000000 ] - [ -0.0003561300000000, -0.0006576700000000, 0.0006296100000000 ] - [ 0.0000766000000000, -0.0006608200000000, -0.0001532300000000 ] - [ 0.0003185700000000, -0.0004411300000000, 0.0001827600000000 ] - [ 0.0002028000000000, -0.0003127300000000, 0.0006575000000000 ] - [ -0.0000471300000000, -0.0005026200000000, 0.0000200100000000 ] - [ -0.0000814000000000, -0.0002521700000000, 0.0000226500000000 ] - [ 0.0005551000000000, 0.0010809700000000, -0.0001316000000000 ] - [ -0.0001087700000000, -0.0002710700000000, -0.0000192700000000 ] - [ 0.0006643200000000, 0.0002162000000000, -0.0001242700000000 ] - [ -0.0010150700000000, -0.0002106600000000, -0.0010278800000000 ] - [ 0.0000785400000000, -0.0004687400000000, 0.0000199500000000 ] - [ 0.0003034500000000, -0.0001748100000000, -0.0002209800000000 ] - [ 0.0001490200000000, -0.0002308800000000, 0.0001321800000000 ] - [ 0.0003134200000000, -0.0000418100000000, 0.0001187100000000 ] - [ -0.0009591800000000, 0.0011418600000000, 0.0001187400000000 ] - [ 0.0001833600000000, -0.0003396100000000, -0.0000257600000000 ] - [ -0.0004591200000000, 0.0014313800000000, 0.0002901700000000 ] - [ -0.0000643200000000, 0.0002876700000000, -0.0000946800000000 ] - [ -0.0002729800000000, -0.0015686100000000, -0.0005122600000000 ] - [ 0.0000001100000000, -0.0001175700000000, -0.0000598900000000 ] - [ -0.0000112800000000, -0.0003129500000000, 0.0001378200000000 ] - [ -0.0005573300000000, -0.0002808400000000, -0.0001042500000000 ] - [ -0.0001232400000000, 0.0018007900000000, -0.0002510900000000 ] - [ -0.0000045500000000, -0.0003860000000000, -0.0000143300000000 ] - [ 0.0005397300000000, 0.0006732500000000, -0.0002947400000000 ] - [ -0.0000360900000000, -0.0005121500000000, -0.0000283500000000 ] - [ 0.0011432500000000, 0.0013560000000000, 0.0028553200000000 ] - [ -0.0000145600000000, -0.0002607600000000, -0.0001278300000000 ] - [ 0.0000124700000000, -0.0002437900000000, 0.0001214500000000 ] - [ -0.0000544400000000, -0.0003257300000000, -0.0001053200000000 ] - [ 0.0001301200000000, -0.0002889600000000, -0.0001041400000000 ] - [ -0.0000561500000000, -0.0002318300000000, 0.0000094000000000 ] - [ -0.0008256700000000, -0.0002427000000000, -0.0002972200000000 ] - [ 0.0000061900000000, -0.0002325300000000, 0.0000634800000000 ] - [ 0.0002275900000000, -0.0002203800000000, 0.0001828900000000 ] - [ -0.0010020200000000, -0.0056024400000000, 0.0022222000000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000765100000000, 0.0003785000000000, -0.0002017000000000 ] - [ 0.0000930900000000, -0.0000435000000000, 0.0001130000000000 ] - [ -0.0010987100000000, 0.0000509800000000, -0.0000413400000000 ] - [ -0.0000986600000000, 0.0000149300000000, -0.0001718200000000 ] - [ 0.0000229500000000, -0.0002564800000000, 0.0001428000000000 ] - [ 0.0001755400000000, -0.0000098300000000, 0.0006076900000000 ] - [ 0.0001551300000000, 0.0001815600000000, -0.0006927800000000 ] - [ 0.0001062500000000, 0.0001602100000000, -0.0002335300000000 ] - [ 0.0000160500000000, -0.0002307000000000, 0.0008027700000000 ] - [ 0.0005013500000000, 0.0011405800000000, -0.0001390900000000 ] - [ -0.0001473300000000, -0.0000063400000000, 0.0001352700000000 ] - [ -0.0043943400000000, -0.0045813400000000, 0.0028172300000000 ] - [ 0.0000221200000000, -0.0002392200000000, -0.0001554100000000 ] - [ -0.0001829600000000, 0.0000833400000000, -0.0000915700000000 ] - [ 0.0000775300000000, -0.0020822700000000, 0.0020121700000000 ] - [ -0.0017298300000000, 0.0025902100000000, 0.0029301000000000 ] - [ -0.0000689500000000, 0.0001111900000000, -0.0001116500000000 ] - [ -0.0000953400000000, -0.0000731700000000, -0.0001563900000000 ] - [ -0.0000973000000000, 0.0000200400000000, 0.0001726800000000 ] - [ -0.0007392900000000, -0.0000854500000000, -0.0004409200000000 ] - [ -0.0000036000000000, 0.0003249100000000, 0.0001322400000000 ] - [ -0.0001028100000000, 0.0001694700000000, 0.0001599000000000 ] - [ 0.0000995800000000, 0.0000646600000000, 0.0001859500000000 ] - [ -0.0000377900000000, 0.0003549100000000, 0.0002326100000000 ] - [ -0.0004371900000000, 0.0003631000000000, 0.0008685100000000 ] - [ 0.0002705400000000, 0.0000951300000000, 0.0001278000000000 ] - [ 0.0000818400000000, -0.0000522100000000, -0.0001002400000000 ] - [ 0.0001021100000000, 0.0000705300000000, -0.0001879200000000 ] - [ -0.0000046100000000, 0.0002939900000000, 0.0001490200000000 ] - [ 0.0310873400000000, 0.0094150300000000, 0.0485231600000000 ] - [ 0.0000722200000000, 0.0000547300000000, 0.0000944500000000 ] - [ 0.0009886600000000, 0.0013121500000000, -0.0000960000000000 ] - [ 0.0005023100000000, 0.0014155800000000, -0.0001005300000000 ] - [ 0.0000470500000000, 0.0000161600000000, -0.0001957200000000 ] - [ -0.0005457100000000, -0.0000775200000000, 0.0003510800000000 ] - [ 0.0005851200000000, -0.0004372700000000, -0.0000476800000000 ] - [ 0.0000210200000000, -0.0001951800000000, -0.0001365100000000 ] - [ -0.0000204000000000, 0.0002922800000000, -0.0001401700000000 ] - [ -0.0000992500000000, -0.0001924900000000, -0.0001106200000000 ] - [ 0.0000130100000000, -0.0001963500000000, 0.0001282200000000 ] - [ -0.0003722200000000, 0.0001419300000000, -0.0001833500000000 ] - [ -0.0003932500000000, 0.0001045100000000, 0.0001819100000000 ] - [ 0.0003343000000000, 0.0002505200000000, -0.0001087000000000 ] - [ -0.0276047200000000, -0.0057522300000000, -0.0720469000000000 ] - [ 0.0005567100000000, 0.0017184800000000, 0.0018337800000000 ] - [ 0.0001175100000000, -0.0000955700000000, 0.0000238900000000 ] - [ 0.0001401600000000, -0.0005155100000000, 0.0002412200000000 ] - [ -0.0000300700000000, -0.0000800600000000, 0.0001725600000000 ] - [ 0.0016774900000000, -0.0012833600000000, 0.0011775200000000 ] - [ 0.0000464900000000, -0.0002348100000000, 0.0004242100000000 ] - [ -0.0002199500000000, -0.0000691900000000, 0.0002067800000000 ] - [ -0.0000214200000000, -0.0001260600000000, 0.0000832900000000 ] - [ -0.0001000700000000, 0.0000490000000000, -0.0001696900000000 ] - [ 0.0003595900000000, -0.0001149900000000, -0.0001798900000000 ] - [ -0.0001016600000000, 0.0000416100000000, -0.0000216700000000 ] - [ 0.0003031600000000, -0.0000342900000000, 0.0002255600000000 ] - [ -0.0001100600000000, 0.0001535000000000, -0.0001639400000000 ] - [ 0.0001009700000000, -0.0001478800000000, -0.0001313100000000 ] - [ 0.0003584900000000, -0.0001417000000000, 0.0001806700000000 ] - [ -0.0001183600000000, 0.0000448700000000, -0.0003466100000000 ] - [ -0.0000198600000000, -0.0001527200000000, 0.0000643400000000 ] - [ -0.0000765500000000, 0.0000532600000000, 0.0000083200000000 ] - [ -0.0007337700000000, -0.0000611800000000, 0.0012716200000000 ] - [ -0.0000867200000000, 0.0000623000000000, -0.0000031200000000 ] - [ -0.0008710000000000, -0.0000380700000000, 0.0004048300000000 ] - [ 0.0004808300000000, 0.0011368800000000, 0.0022265300000000 ] - [ 0.0000961300000000, -0.0001646800000000, -0.0000197600000000 ] - [ 0.0003047900000000, -0.0000374700000000, -0.0002049800000000 ] - [ 0.0001422700000000, -0.0000470500000000, 0.0001283700000000 ] - [ 0.0003441400000000, 0.0000719000000000, 0.0001982900000000 ] - [ 0.0003810700000000, 0.0001224900000000, -0.0001175600000000 ] - [ 0.0001185500000000, -0.0000985500000000, -0.0000157500000000 ] - [ -0.0021234300000000, -0.0007078900000000, 0.0013037600000000 ] - [ -0.0002338100000000, -0.0001118700000000, 0.0003982500000000 ] - [ 0.0000740900000000, 0.0001176900000000, -0.0001836300000000 ] - [ 0.0000056700000000, 0.0000769100000000, -0.0000738400000000 ] - [ 0.0000131500000000, 0.0000593500000000, 0.0000767200000000 ] - [ -0.0005742500000000, -0.0002937500000000, 0.0002864000000000 ] - [ 0.0004458400000000, 0.0002195700000000, -0.0007693500000000 ] - [ 0.0000843400000000, -0.0001548700000000, 0.0000053900000000 ] - [ -0.0002261100000000, 0.0001586500000000, -0.0001670700000000 ] - [ -0.0000216700000000, -0.0001521300000000, -0.0000665300000000 ] - [ 0.0028624700000000, -0.0015677400000000, 0.0063127600000000 ] - [ 0.0000150300000000, 0.0000607000000000, -0.0000779300000000 ] - [ 0.0000757100000000, -0.0000219600000000, 0.0001489500000000 ] - [ -0.0000265000000000, -0.0001234700000000, -0.0000829900000000 ] - [ 0.0000703900000000, -0.0000522600000000, -0.0001199600000000 ] - [ -0.0001042800000000, 0.0000343300000000, 0.0000215300000000 ] - [ 0.0002880300000000, -0.0000145500000000, 0.0005048100000000 ] - [ 0.0000142400000000, 0.0000803600000000, 0.0000704600000000 ] - [ -0.0000744700000000, -0.0001557800000000, -0.0001727400000000 ] - [ -0.0006276000000000, -0.0024220300000000, 0.0001095100000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000238200000000, 0.0002316700000000, -0.0000763300000000 ] - [ 0.0000776800000000, -0.0001610300000000, 0.0000757300000000 ] - [ 0.0010510500000000, -0.0006596900000000, 0.0003153300000000 ] - [ -0.0000981100000000, -0.0000540700000000, -0.0001848900000000 ] - [ 0.0000313000000000, -0.0003483400000000, 0.0001359100000000 ] - [ -0.0000041100000000, 0.0002205900000000, -0.0004215100000000 ] - [ -0.0001019400000000, 0.0004306500000000, 0.0004168500000000 ] - [ 0.0000645100000000, 0.0000483100000000, 0.0000429700000000 ] - [ 0.0001799500000000, 0.0001838200000000, -0.0004384400000000 ] - [ -0.0001987300000000, -0.0011449000000000, -0.0001080400000000 ] - [ -0.0001617300000000, 0.0000084100000000, 0.0001066300000000 ] - [ 0.0043676000000000, 0.0039949400000000, -0.0030730400000000 ] - [ 0.0000318300000000, -0.0003655300000000, -0.0001234600000000 ] - [ -0.0001263300000000, -0.0000819200000000, -0.0001500400000000 ] - [ 0.0001387700000000, 0.0019508900000000, -0.0021318400000000 ] - [ 0.0015623000000000, -0.0026057000000000, -0.0032922800000000 ] - [ -0.0001042200000000, 0.0000977300000000, -0.0000761800000000 ] - [ -0.0000744700000000, -0.0001387000000000, 0.0003441900000000 ] - [ -0.0001000000000000, -0.0000593100000000, 0.0001841700000000 ] - [ 0.0005475700000000, 0.0001227600000000, 0.0007941500000000 ] - [ -0.0000505400000000, 0.0002830000000000, 0.0001461300000000 ] - [ -0.0000662900000000, 0.0000403500000000, 0.0000276200000000 ] - [ 0.0000977000000000, -0.0000225500000000, 0.0001713900000000 ] - [ 0.0000924600000000, 0.0002538800000000, 0.0000478500000000 ] - [ 0.0002667800000000, -0.0005758600000000, -0.0010535900000000 ] - [ 0.0000406200000000, -0.0000939400000000, 0.0001146100000000 ] - [ 0.0000892300000000, -0.0001521300000000, -0.0000884500000000 ] - [ 0.0000950700000000, -0.0000282000000000, -0.0001693900000000 ] - [ -0.0000217700000000, 0.0001921800000000, 0.0001120200000000 ] - [ -0.0324995300000000, -0.0104317600000000, -0.0496875500000000 ] - [ 0.0000778400000000, -0.0000529000000000, 0.0000552200000000 ] - [ -0.0009647500000000, -0.0008265300000000, -0.0001521500000000 ] - [ -0.0004683900000000, -0.0009237700000000, 0.0003621900000000 ] - [ 0.0001016500000000, -0.0000146200000000, 0.0000448000000000 ] - [ 0.0004014600000000, 0.0000771300000000, -0.0004889000000000 ] - [ -0.0006129200000000, -0.0000501600000000, -0.0002218200000000 ] - [ 0.0000049000000000, -0.0002880900000000, -0.0001254500000000 ] - [ -0.0000048400000000, 0.0001941900000000, -0.0001118600000000 ] - [ -0.0000501200000000, 0.0001935200000000, 0.0002593300000000 ] - [ 0.0000130200000000, -0.0002869800000000, 0.0001243300000000 ] - [ -0.0003441000000000, 0.0000781100000000, -0.0001833800000000 ] - [ -0.0003229900000000, 0.0001137600000000, 0.0001835100000000 ] - [ 0.0003824700000000, -0.0000313400000000, -0.0002557100000000 ] - [ 0.0289708600000000, 0.0061982300000000, 0.0734381700000000 ] - [ -0.0005425400000000, -0.0019722900000000, -0.0017104100000000 ] - [ 0.0000983900000000, -0.0000467900000000, 0.0000208500000000 ] - [ -0.0003513200000000, 0.0003692800000000, -0.0002831200000000 ] - [ -0.0000736700000000, 0.0000804800000000, 0.0000820700000000 ] - [ -0.0016937100000000, 0.0014868800000000, -0.0010284200000000 ] - [ -0.0000890500000000, 0.0004280500000000, -0.0002608300000000 ] - [ -0.0004015600000000, 0.0000685100000000, -0.0006234500000000 ] - [ -0.0000243400000000, -0.0000713100000000, 0.0000782800000000 ] - [ 0.0000526500000000, 0.0001474400000000, 0.0000068800000000 ] - [ 0.0003562500000000, -0.0001047500000000, -0.0001854400000000 ] - [ -0.0001142300000000, 0.0000977900000000, -0.0000231900000000 ] - [ 0.0003169700000000, 0.0000325100000000, 0.0001876200000000 ] - [ -0.0001521100000000, -0.0001649700000000, -0.0000862600000000 ] - [ 0.0001606500000000, 0.0001453300000000, -0.0001333800000000 ] - [ 0.0003572800000000, -0.0000784700000000, 0.0001849300000000 ] - [ -0.0001420700000000, -0.0000451100000000, 0.0006121600000000 ] - [ -0.0000130900000000, -0.0000625200000000, 0.0000825100000000 ] - [ -0.0000783400000000, 0.0001413000000000, 0.0000081600000000 ] - [ 0.0009657100000000, 0.0002053400000000, -0.0012256000000000 ] - [ -0.0000680200000000, 0.0001323200000000, -0.0000130000000000 ] - [ 0.0001589200000000, -0.0001789800000000, -0.0000393000000000 ] - [ -0.0011946400000000, -0.0013335100000000, -0.0025607100000000 ] - [ 0.0000586700000000, -0.0000328600000000, 0.0000361400000000 ] - [ 0.0003150700000000, 0.0000362900000000, -0.0002080800000000 ] - [ 0.0001193700000000, 0.0000454700000000, 0.0001358500000000 ] - [ 0.0003713000000000, 0.0001448900000000, 0.0001674300000000 ] - [ -0.0002296000000000, 0.0000795800000000, 0.0001021100000000 ] - [ 0.0000976400000000, -0.0000432800000000, -0.0000291300000000 ] - [ 0.0020737300000000, 0.0009172300000000, -0.0014468300000000 ] - [ 0.0002820700000000, -0.0000836500000000, -0.0005567100000000 ] - [ -0.0001795100000000, -0.0001300600000000, -0.0000747600000000 ] - [ 0.0000397300000000, 0.0001184300000000, -0.0000878300000000 ] - [ 0.0000194700000000, 0.0001523300000000, 0.0000714700000000 ] - [ -0.0000427400000000, 0.0002930800000000, 0.0001220100000000 ] - [ -0.0002354100000000, -0.0000713000000000, 0.0007332000000000 ] - [ 0.0000697700000000, -0.0000427700000000, -0.0000219600000000 ] - [ 0.0002568000000000, -0.0003690500000000, 0.0000198400000000 ] - [ -0.0000110400000000, -0.0000631500000000, -0.0000813100000000 ] - [ -0.0027357100000000, 0.0018289900000000, -0.0063876700000000 ] - [ 0.0000175600000000, 0.0001508900000000, -0.0000695900000000 ] - [ 0.0000284900000000, 0.0000208000000000, 0.0001053800000000 ] - [ -0.0000192700000000, -0.0000738500000000, -0.0000784800000000 ] - [ 0.0000341200000000, 0.0000508200000000, -0.0001344900000000 ] - [ -0.0001113600000000, 0.0001050900000000, 0.0000231500000000 ] - [ -0.0004421900000000, -0.0001833700000000, -0.0005218600000000 ] - [ 0.0000316700000000, 0.0001143100000000, 0.0000908500000000 ] - [ -0.0000816600000000, -0.0000410900000000, 0.0001865100000000 ] - [ 0.0004102900000000, 0.0022835800000000, -0.0000743900000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000268500000000, 0.0003210600000000, -0.0001389800000000 ] - [ 0.0001846200000000, -0.0000662200000000, 0.0000556100000000 ] - [ 0.0001299500000000, 0.0003832500000000, -0.0004730000000000 ] - [ -0.0000966100000000, 0.0000752800000000, -0.0001792100000000 ] - [ -0.0000181100000000, -0.0003031000000000, 0.0001647000000000 ] - [ 0.0015354500000000, 0.0000613900000000, -0.0003080800000000 ] - [ 0.0000498200000000, 0.0005624500000000, 0.0000208600000000 ] - [ -0.0003710700000000, 0.0002312800000000, -0.0002326200000000 ] - [ -0.0008474800000000, -0.0000939200000000, 0.0006129200000000 ] - [ 0.0002146700000000, -0.0000648300000000, -0.0001622400000000 ] - [ -0.0000811700000000, -0.0000703500000000, 0.0000979000000000 ] - [ -0.0003086300000000, -0.0007263200000000, -0.0002002300000000 ] - [ 0.0000748000000000, -0.0002184600000000, -0.0000947400000000 ] - [ -0.0001923700000000, 0.0002298800000000, -0.0001876400000000 ] - [ 0.0016395500000000, 0.0000958500000000, -0.0000912700000000 ] - [ 0.0037555500000000, 0.0012991400000000, 0.0020581500000000 ] - [ -0.0000282300000000, 0.0001823200000000, -0.0000702700000000 ] - [ -0.0004576600000000, -0.0003664100000000, 0.0001740700000000 ] - [ -0.0000953500000000, -0.0000128700000000, 0.0001661800000000 ] - [ 0.0055691200000000, -0.0013571100000000, 0.0001222900000000 ] - [ -0.0000341900000000, 0.0004065000000000, 0.0001207700000000 ] - [ -0.0001411700000000, 0.0001413700000000, 0.0000954800000000 ] - [ 0.0000860700000000, 0.0000795500000000, 0.0001844400000000 ] - [ -0.0004756100000000, 0.0000451400000000, 0.0003687700000000 ] - [ 0.0007812400000000, 0.0004200900000000, 0.0003640700000000 ] - [ 0.0000545300000000, 0.0001776200000000, 0.0001238300000000 ] - [ -0.0000104600000000, -0.0000542100000000, -0.0001050800000000 ] - [ 0.0001147000000000, 0.0000497100000000, -0.0001865000000000 ] - [ 0.0000152300000000, 0.0002954100000000, 0.0001258900000000 ] - [ 0.0074286000000000, -0.0092888000000000, -0.0042047300000000 ] - [ -0.0001060500000000, -0.0003163500000000, 0.0003522800000000 ] - [ 0.0015384100000000, -0.0003744500000000, 0.0005064400000000 ] - [ -0.0007922800000000, -0.0003313300000000, 0.0005391600000000 ] - [ 0.0003278100000000, 0.0004544200000000, 0.0002590700000000 ] - [ -0.0001604400000000, -0.0001635600000000, 0.0001281000000000 ] - [ -0.0013713300000000, -0.0002072400000000, -0.0003546100000000 ] - [ 0.0000447200000000, -0.0002053100000000, -0.0001390700000000 ] - [ -0.0000350800000000, 0.0002926200000000, -0.0001283200000000 ] - [ 0.0000328800000000, 0.0002195200000000, 0.0001499300000000 ] - [ -0.0000185400000000, -0.0001768600000000, 0.0001111900000000 ] - [ -0.0003605600000000, 0.0001549300000000, -0.0002038600000000 ] - [ -0.0003605200000000, 0.0000059500000000, 0.0001709300000000 ] - [ 0.0004087100000000, -0.0008657500000000, -0.0002624900000000 ] - [ -0.0012519600000000, 0.0010810300000000, 0.0006277600000000 ] - [ -0.0245399400000000, 0.0102811500000000, 0.0043059400000000 ] - [ 0.0001306800000000, -0.0000944100000000, 0.0000249800000000 ] - [ 0.0012631100000000, 0.0001893200000000, 0.0001366200000000 ] - [ -0.0000063600000000, -0.0000864500000000, 0.0001263600000000 ] - [ 0.0005954400000000, 0.0005172000000000, 0.0004358000000000 ] - [ 0.0021439600000000, 0.0001354600000000, -0.0016034300000000 ] - [ -0.0003675100000000, -0.0001115400000000, -0.0002197900000000 ] - [ -0.0000122000000000, -0.0001292000000000, 0.0000834400000000 ] - [ 0.0011129900000000, 0.0005428600000000, -0.0021691200000000 ] - [ 0.0003348400000000, -0.0003791500000000, -0.0001956500000000 ] - [ -0.0000785800000000, 0.0000412900000000, -0.0000143300000000 ] - [ 0.0001300500000000, -0.0001332900000000, 0.0001744300000000 ] - [ -0.0000622900000000, 0.0000812400000000, -0.0001145600000000 ] - [ -0.0000776400000000, -0.0000178800000000, -0.0002692300000000 ] - [ 0.0003652600000000, 0.0000093100000000, 0.0001658400000000 ] - [ -0.0002251600000000, -0.0002763900000000, 0.0001588800000000 ] - [ -0.0000086000000000, -0.0001624800000000, 0.0000678400000000 ] - [ -0.0000521000000000, 0.0000230200000000, 0.0000191500000000 ] - [ 0.0013494700000000, 0.0006072600000000, -0.0000132900000000 ] - [ -0.0001009700000000, 0.0000809000000000, -0.0000081900000000 ] - [ -0.0003107300000000, -0.0003412600000000, 0.0001013200000000 ] - [ -0.0003335500000000, 0.0002290000000000, -0.0001565500000000 ] - [ 0.0000467900000000, -0.0001365900000000, 0.0000109900000000 ] - [ 0.0004914200000000, 0.0000320400000000, -0.0002570900000000 ] - [ 0.0002875100000000, 0.0000275500000000, 0.0000689000000000 ] - [ 0.0005636300000000, 0.0006101800000000, 0.0000218000000000 ] - [ 0.0011917300000000, 0.0000224200000000, 0.0000870400000000 ] - [ 0.0000988600000000, -0.0001158500000000, -0.0000189400000000 ] - [ -0.0001889500000000, -0.0001864300000000, 0.0008454000000000 ] - [ 0.0009017000000000, -0.0006158100000000, 0.0001603300000000 ] - [ -0.0000731100000000, 0.0000032500000000, -0.0001373800000000 ] - [ 0.0000424400000000, 0.0000673900000000, -0.0000789400000000 ] - [ -0.0000074300000000, 0.0000584200000000, 0.0000779600000000 ] - [ -0.0002442000000000, 0.0000375900000000, 0.0001539100000000 ] - [ -0.0002019200000000, -0.0028226900000000, -0.0013071600000000 ] - [ 0.0000956500000000, -0.0001500800000000, -0.0000053500000000 ] - [ 0.0016200100000000, -0.0000505600000000, -0.0007722500000000 ] - [ -0.0000286000000000, -0.0001485600000000, -0.0000673600000000 ] - [ -0.0010073500000000, 0.0006811600000000, -0.0000435500000000 ] - [ 0.0000280300000000, 0.0000582900000000, -0.0000818100000000 ] - [ 0.0000962500000000, 0.0001170400000000, 0.0001055900000000 ] - [ -0.0000403200000000, -0.0001182800000000, -0.0000853900000000 ] - [ 0.0000234400000000, -0.0001496100000000, -0.0001756800000000 ] - [ -0.0001251100000000, 0.0000403000000000, 0.0000300400000000 ] - [ -0.0006293500000000, 0.0005054700000000, -0.0000384200000000 ] - [ -0.0000041700000000, 0.0000707200000000, 0.0000768200000000 ] - [ 0.0003364800000000, -0.0006822200000000, -0.0000187800000000 ] - [ -0.0008683400000000, -0.0001634100000000, 0.0004350800000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000269100000000, 0.0002864100000000, -0.0001401300000000 ] - [ -0.0000134300000000, -0.0001396000000000, 0.0001332000000000 ] - [ -0.0001899500000000, -0.0009940500000000, 0.0007538200000000 ] - [ -0.0001003100000000, -0.0001158700000000, -0.0001775400000000 ] - [ 0.0000721300000000, -0.0003033300000000, 0.0001140700000000 ] - [ -0.0013573200000000, 0.0001345600000000, 0.0004938500000000 ] - [ -0.0000020100000000, 0.0000542700000000, -0.0002833500000000 ] - [ 0.0005445100000000, -0.0000246200000000, 0.0000449300000000 ] - [ 0.0010447000000000, 0.0000517900000000, -0.0002580500000000 ] - [ 0.0000947300000000, 0.0000698900000000, -0.0000792100000000 ] - [ -0.0002280800000000, 0.0000685500000000, 0.0001449600000000 ] - [ 0.0002586600000000, 0.0001184600000000, -0.0000806600000000 ] - [ -0.0000208300000000, -0.0003875400000000, -0.0001842900000000 ] - [ -0.0001168100000000, -0.0002284800000000, -0.0000540300000000 ] - [ -0.0014319500000000, -0.0001260700000000, -0.0002900500000000 ] - [ -0.0037134800000000, -0.0012281500000000, -0.0022594000000000 ] - [ -0.0001434200000000, 0.0000247700000000, -0.0001187300000000 ] - [ 0.0002898000000000, 0.0001560900000000, 0.0000159200000000 ] - [ -0.0001022300000000, -0.0000279700000000, 0.0001906600000000 ] - [ -0.0061658700000000, 0.0014466100000000, 0.0001691300000000 ] - [ -0.0000202200000000, 0.0002005800000000, 0.0001577700000000 ] - [ -0.0000287600000000, 0.0000656500000000, 0.0000935000000000 ] - [ 0.0001111000000000, -0.0000381600000000, 0.0001725900000000 ] - [ 0.0005262000000000, 0.0005644900000000, -0.0000909100000000 ] - [ -0.0009585400000000, -0.0006281600000000, -0.0005553700000000 ] - [ 0.0002553800000000, -0.0001789400000000, 0.0001180600000000 ] - [ 0.0001811200000000, -0.0001515900000000, -0.0000841800000000 ] - [ 0.0000827800000000, -0.0000077500000000, -0.0001707100000000 ] - [ -0.0000416800000000, 0.0001899800000000, 0.0001369300000000 ] - [ -0.0073848700000000, 0.0086772700000000, 0.0044191200000000 ] - [ 0.0002562400000000, 0.0003160800000000, -0.0002037300000000 ] - [ -0.0015174700000000, 0.0008633700000000, -0.0007643300000000 ] - [ 0.0008323600000000, 0.0008165500000000, -0.0003010100000000 ] - [ -0.0001781500000000, -0.0004542300000000, -0.0004084100000000 ] - [ 0.0000110900000000, 0.0001674000000000, -0.0002791000000000 ] - [ 0.0013480900000000, -0.0002815800000000, 0.0000906400000000 ] - [ -0.0000184000000000, -0.0002789500000000, -0.0001232600000000 ] - [ 0.0000091200000000, 0.0001922900000000, -0.0001240200000000 ] - [ -0.0001849900000000, -0.0002212800000000, -0.0000011500000000 ] - [ 0.0000446200000000, -0.0003076900000000, 0.0001415500000000 ] - [ -0.0003552600000000, 0.0000614400000000, -0.0001614200000000 ] - [ -0.0003547800000000, 0.0002123100000000, 0.0001946800000000 ] - [ 0.0003096900000000, 0.0010823500000000, -0.0001021100000000 ] - [ 0.0012958400000000, -0.0012837200000000, -0.0004710900000000 ] - [ 0.0246657600000000, -0.0104509500000000, -0.0042051700000000 ] - [ 0.0000858000000000, -0.0000462600000000, 0.0000199700000000 ] - [ -0.0014848800000000, -0.0003308700000000, -0.0001847500000000 ] - [ -0.0000968300000000, 0.0000874900000000, 0.0001274800000000 ] - [ -0.0006298600000000, -0.0003018500000000, -0.0002796600000000 ] - [ -0.0021753500000000, 0.0000522800000000, 0.0017680800000000 ] - [ -0.0002519100000000, 0.0001117500000000, -0.0001925500000000 ] - [ -0.0000332200000000, -0.0000676400000000, 0.0000771700000000 ] - [ -0.0011699400000000, -0.0003499300000000, 0.0020274900000000 ] - [ 0.0003804600000000, 0.0001603700000000, -0.0001698900000000 ] - [ -0.0001381400000000, 0.0000988400000000, -0.0000308700000000 ] - [ 0.0004899600000000, 0.0001318100000000, 0.0002392500000000 ] - [ -0.0002015300000000, -0.0000813100000000, -0.0001496900000000 ] - [ 0.0003372300000000, 0.0000159700000000, 0.0000014600000000 ] - [ 0.0003503200000000, -0.0002276200000000, 0.0001997700000000 ] - [ -0.0000351400000000, 0.0002770700000000, 0.0001051700000000 ] - [ -0.0000243500000000, -0.0000506100000000, 0.0000794600000000 ] - [ -0.0001025200000000, 0.0001725200000000, -0.0000023300000000 ] - [ -0.0011279200000000, -0.0004656600000000, 0.0000573300000000 ] - [ -0.0000537600000000, 0.0001148600000000, -0.0000081100000000 ] - [ -0.0004036300000000, 0.0001256900000000, 0.0002645600000000 ] - [ -0.0003838100000000, -0.0004512600000000, -0.0002094600000000 ] - [ 0.0001081700000000, -0.0000608600000000, 0.0000049300000000 ] - [ 0.0001295400000000, -0.0000318200000000, -0.0001568100000000 ] - [ -0.0000245600000000, -0.0000281200000000, 0.0001961200000000 ] - [ 0.0001516300000000, -0.0003936100000000, 0.0003459600000000 ] - [ -0.0010383400000000, 0.0001757400000000, -0.0001015800000000 ] - [ 0.0001177800000000, -0.0000248800000000, -0.0000261800000000 ] - [ 0.0001609600000000, 0.0003995700000000, -0.0009944600000000 ] - [ -0.0008595300000000, 0.0004256200000000, -0.0003230300000000 ] - [ -0.0000309600000000, -0.0000042300000000, -0.0001160200000000 ] - [ 0.0000028100000000, 0.0001291400000000, -0.0000819000000000 ] - [ 0.0000400000000000, 0.0001535300000000, 0.0000702300000000 ] - [ -0.0003782100000000, -0.0000380000000000, 0.0002594200000000 ] - [ 0.0003978500000000, 0.0029955400000000, 0.0012783600000000 ] - [ 0.0000588600000000, -0.0000461000000000, -0.0000114300000000 ] - [ -0.0015917700000000, -0.0001613500000000, 0.0006264000000000 ] - [ -0.0000040400000000, -0.0000646400000000, -0.0000808600000000 ] - [ 0.0011673600000000, -0.0005070200000000, 0.0000558700000000 ] - [ 0.0000046600000000, 0.0001539000000000, -0.0000658600000000 ] - [ 0.0000089900000000, -0.0001157700000000, 0.0001475200000000 ] - [ -0.0000050900000000, -0.0000786000000000, -0.0000752300000000 ] - [ 0.0000804100000000, 0.0001494600000000, -0.0000777300000000 ] - [ -0.0000915100000000, 0.0000998800000000, 0.0000151400000000 ] - [ 0.0004775000000000, -0.0006972500000000, 0.0000337700000000 ] - [ 0.0000495500000000, 0.0001257300000000, 0.0000836900000000 ] - [ -0.0004925500000000, 0.0004802300000000, 0.0000370600000000 ] - [ 0.0006513500000000, 0.0000258300000000, -0.0003972000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001138000000000, -0.0004641500000000, -0.0001015700000000 ] - [ 0.0000247100000000, -0.0009891700000000, 0.0001091800000000 ] - [ 0.0012559900000000, -0.0006015600000000, 0.0010571700000000 ] - [ -0.0001308400000000, -0.0007137700000000, -0.0002561700000000 ] - [ -0.0000505100000000, -0.0009777600000000, 0.0001863100000000 ] - [ -0.0004121300000000, -0.0012007200000000, 0.0014530200000000 ] - [ 0.0007849000000000, -0.0015488700000000, -0.0019434800000000 ] - [ 0.0002724300000000, 0.0003522300000000, -0.0000307000000000 ] - [ 0.0004383100000000, 0.0015796900000000, -0.0005060600000000 ] - [ 0.0000255600000000, -0.0018391900000000, -0.0002124300000000 ] - [ -0.0003958300000000, -0.0006319200000000, 0.0001954900000000 ] - [ -0.0008923400000000, -0.0004728200000000, -0.0000841600000000 ] - [ 0.0001140300000000, -0.0011607400000000, -0.0001467200000000 ] - [ 0.0001216800000000, -0.0003425100000000, 0.0000594400000000 ] - [ 0.0003903900000000, 0.0047685800000000, -0.0013032100000000 ] - [ 0.0013243000000000, 0.0031422400000000, 0.0006098400000000 ] - [ -0.0000096800000000, -0.0006634600000000, -0.0001275400000000 ] - [ -0.0004851200000000, 0.0003662800000000, 0.0001281100000000 ] - [ -0.0001124500000000, -0.0006740500000000, 0.0002666200000000 ] - [ -0.0022584000000000, 0.0032951600000000, 0.0003134500000000 ] - [ 0.0001014300000000, -0.0004035800000000, 0.0002053500000000 ] - [ -0.0001946800000000, -0.0005828300000000, 0.0000572700000000 ] - [ 0.0000797300000000, -0.0005948600000000, 0.0000942700000000 ] - [ -0.0004007500000000, 0.0004161300000000, -0.0000945400000000 ] - [ 0.0004866600000000, -0.0009131000000000, -0.0010478100000000 ] - [ 0.0001651400000000, -0.0003671300000000, 0.0000903400000000 ] - [ 0.0001205000000000, -0.0007593400000000, -0.0001338700000000 ] - [ 0.0000511700000000, -0.0007078000000000, -0.0000829600000000 ] - [ 0.0000037900000000, -0.0005384400000000, 0.0000294400000000 ] - [ -0.0095262100000000, 0.0583076500000000, 0.0244949600000000 ] - [ 0.0000191800000000, -0.0004994800000000, -0.0001218700000000 ] - [ -0.0002061000000000, 0.0030142800000000, -0.0001093600000000 ] - [ -0.0000012200000000, 0.0022256500000000, -0.0014501100000000 ] - [ 0.0001725900000000, -0.0011630200000000, -0.0004390300000000 ] - [ -0.0003013200000000, -0.0013326400000000, 0.0000351200000000 ] - [ -0.0004111000000000, 0.0014739600000000, 0.0000290100000000 ] - [ -0.0000250800000000, -0.0009771300000000, -0.0001383900000000 ] - [ -0.0000491800000000, -0.0004292800000000, -0.0001395900000000 ] - [ 0.0002274600000000, -0.0003026800000000, 0.0002763800000000 ] - [ 0.0000187200000000, -0.0009423100000000, 0.0001082600000000 ] - [ -0.0002649200000000, 0.0008832700000000, -0.0002908900000000 ] - [ -0.0003803300000000, 0.0005760100000000, 0.0001944400000000 ] - [ -0.0008030800000000, 0.0017313200000000, -0.0003739900000000 ] - [ 0.0009324000000000, 0.0009032300000000, 0.0019438400000000 ] - [ 0.0106261200000000, -0.0744791100000000, -0.0256576800000000 ] - [ 0.0000291500000000, 0.0003576400000000, 0.0000142200000000 ] - [ -0.0008824900000000, -0.0006842700000000, 0.0003924300000000 ] - [ -0.0002039600000000, 0.0002627400000000, 0.0000525200000000 ] - [ 0.0003915900000000, -0.0015841700000000, 0.0002927200000000 ] - [ -0.0010609500000000, -0.0014486300000000, 0.0014709900000000 ] - [ -0.0006456700000000, 0.0004326400000000, -0.0004661300000000 ] - [ -0.0000250600000000, 0.0002972800000000, 0.0000360700000000 ] - [ 0.0011571900000000, -0.0012176700000000, -0.0008991300000000 ] - [ 0.0003283200000000, 0.0006659500000000, -0.0001608000000000 ] - [ -0.0002105000000000, 0.0004812900000000, -0.0000465000000000 ] - [ 0.0001754000000000, 0.0008854400000000, 0.0003675900000000 ] - [ 0.0002132500000000, 0.0004244000000000, -0.0001233000000000 ] - [ -0.0000274500000000, 0.0010960300000000, -0.0004483300000000 ] - [ 0.0004347700000000, 0.0004679000000000, 0.0002036800000000 ] - [ -0.0004448700000000, 0.0006495100000000, 0.0001864600000000 ] - [ 0.0000397100000000, 0.0005601700000000, 0.0001677600000000 ] - [ -0.0000559300000000, 0.0006808600000000, -0.0000095800000000 ] - [ 0.0003563900000000, -0.0004235400000000, -0.0000554400000000 ] - [ -0.0000280400000000, 0.0007410100000000, 0.0000291400000000 ] - [ -0.0005626800000000, -0.0001175300000000, 0.0002766700000000 ] - [ 0.0001830700000000, 0.0010235000000000, -0.0000198700000000 ] - [ 0.0000269700000000, 0.0007433200000000, 0.0000983700000000 ] - [ 0.0003009800000000, 0.0002104500000000, -0.0001904600000000 ] - [ 0.0001907600000000, 0.0002564800000000, 0.0001602300000000 ] - [ 0.0007018500000000, 0.0002605400000000, 0.0003085100000000 ] - [ -0.0008237000000000, -0.0002471300000000, 0.0001556400000000 ] - [ -0.0000152400000000, 0.0003905300000000, 0.0000045200000000 ] - [ -0.0003060400000000, -0.0016569300000000, -0.0006721700000000 ] - [ 0.0002513100000000, -0.0008769300000000, -0.0003445000000000 ] - [ 0.0000149100000000, 0.0006112800000000, -0.0001782400000000 ] - [ 0.0000584500000000, 0.0004648700000000, -0.0001261600000000 ] - [ 0.0000635400000000, 0.0008703100000000, -0.0000111800000000 ] - [ 0.0000111200000000, 0.0004213300000000, 0.0001160700000000 ] - [ -0.0012292900000000, 0.0012295900000000, 0.0010648500000000 ] - [ 0.0001192900000000, 0.0004522600000000, -0.0000219600000000 ] - [ 0.0000717000000000, -0.0014629700000000, 0.0000886600000000 ] - [ 0.0000257500000000, 0.0005893500000000, -0.0001691800000000 ] - [ -0.0003536400000000, 0.0068958600000000, 0.0000609100000000 ] - [ 0.0000638900000000, 0.0007489200000000, 0.0000180400000000 ] - [ 0.0005331300000000, 0.0006780600000000, 0.0000645400000000 ] - [ 0.0000366300000000, 0.0003066500000000, -0.0000366600000000 ] - [ -0.0001282500000000, 0.0003888400000000, -0.0001348500000000 ] - [ -0.0001929800000000, 0.0005688300000000, 0.0000362100000000 ] - [ 0.0015255100000000, 0.0003160200000000, 0.0015398000000000 ] - [ 0.0000592900000000, 0.0005170600000000, 0.0001275100000000 ] - [ -0.0000922800000000, -0.0005574500000000, 0.0005233300000000 ] - [ -0.0004070000000000, -0.0014319800000000, -0.0008881600000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000592400000000, 0.0010727600000000, -0.0001772000000000 ] - [ 0.0001466500000000, 0.0007862800000000, 0.0000792500000000 ] - [ -0.0013019000000000, -0.0000002500000000, -0.0007801100000000 ] - [ -0.0000664900000000, 0.0006743600000000, -0.0001005000000000 ] - [ 0.0001059600000000, 0.0003720800000000, 0.0000916800000000 ] - [ 0.0005674000000000, 0.0013285800000000, -0.0012196700000000 ] - [ -0.0007300100000000, 0.0021550600000000, 0.0016789600000000 ] - [ -0.0001022800000000, -0.0001512200000000, -0.0001563000000000 ] - [ -0.0002426300000000, -0.0016199800000000, 0.0008623800000000 ] - [ 0.0002813300000000, 0.0018352900000000, -0.0000316400000000 ] - [ 0.0000890000000000, 0.0006316200000000, 0.0000461300000000 ] - [ 0.0008346800000000, -0.0001311200000000, -0.0001940900000000 ] - [ -0.0000606500000000, 0.0005568700000000, -0.0001318500000000 ] - [ -0.0004338600000000, 0.0003407100000000, -0.0003021000000000 ] - [ -0.0001583800000000, -0.0047719900000000, 0.0008760200000000 ] - [ -0.0015223400000000, -0.0031203900000000, -0.0009708300000000 ] - [ -0.0001611500000000, 0.0008721100000000, -0.0000609200000000 ] - [ 0.0003141100000000, -0.0005701000000000, 0.0000597600000000 ] - [ -0.0000848000000000, 0.0006341800000000, 0.0000901700000000 ] - [ 0.0020630900000000, -0.0032739100000000, 0.0000423600000000 ] - [ -0.0001553300000000, 0.0010126200000000, 0.0000728600000000 ] - [ 0.0000242800000000, 0.0007916400000000, 0.0001311600000000 ] - [ 0.0001178200000000, 0.0006377700000000, 0.0002628500000000 ] - [ 0.0004573300000000, 0.0001850900000000, 0.0003737800000000 ] - [ -0.0006554600000000, 0.0007078500000000, 0.0008557700000000 ] - [ 0.0001443900000000, 0.0003701800000000, 0.0001514800000000 ] - [ 0.0000496200000000, 0.0005538800000000, -0.0000548000000000 ] - [ 0.0001462900000000, 0.0007508700000000, -0.0002743300000000 ] - [ -0.0000296400000000, 0.0010251100000000, 0.0002324600000000 ] - [ 0.0090182500000000, -0.0565431000000000, -0.0229729200000000 ] - [ 0.0001330400000000, 0.0004985100000000, 0.0002740500000000 ] - [ 0.0002283500000000, -0.0025420900000000, -0.0001432600000000 ] - [ 0.0000320600000000, -0.0017367000000000, 0.0017124600000000 ] - [ -0.0000240600000000, 0.0011667800000000, 0.0002911400000000 ] - [ 0.0001499900000000, 0.0013350000000000, -0.0001866900000000 ] - [ 0.0003862300000000, -0.0019588200000000, -0.0002918300000000 ] - [ 0.0000516600000000, 0.0004946000000000, -0.0001240300000000 ] - [ 0.0000231200000000, 0.0009157000000000, -0.0001131200000000 ] - [ -0.0003770600000000, 0.0003064900000000, -0.0001259100000000 ] - [ 0.0000071700000000, 0.0004589800000000, 0.0001449200000000 ] - [ -0.0004505900000000, -0.0006668100000000, -0.0000751400000000 ] - [ -0.0003358900000000, -0.0003595100000000, 0.0001707900000000 ] - [ 0.0015313200000000, -0.0015232900000000, 0.0000122200000000 ] - [ -0.0008806900000000, -0.0010879900000000, -0.0017483800000000 ] - [ -0.0101108600000000, 0.0719431700000000, 0.0245425600000000 ] - [ 0.0001870900000000, -0.0004992400000000, 0.0000305400000000 ] - [ 0.0006735500000000, 0.0005456700000000, -0.0004361900000000 ] - [ 0.0000993900000000, -0.0002641700000000, 0.0002009300000000 ] - [ -0.0004281200000000, 0.0018000000000000, -0.0001488200000000 ] - [ 0.0009907200000000, 0.0016570400000000, -0.0013000400000000 ] - [ 0.0000234200000000, -0.0004337000000000, 0.0000519300000000 ] - [ -0.0000201400000000, -0.0004948900000000, 0.0001250700000000 ] - [ -0.0011967500000000, 0.0014256800000000, 0.0007268200000000 ] - [ 0.0003882200000000, -0.0008869500000000, -0.0002044500000000 ] - [ -0.0000052900000000, -0.0003415800000000, 0.0000017200000000 ] - [ 0.0004469000000000, -0.0008903000000000, 0.0000448800000000 ] - [ -0.0004730000000000, -0.0004269000000000, -0.0001409600000000 ] - [ 0.0002895500000000, -0.0011045200000000, 0.0001854500000000 ] - [ 0.0002805100000000, -0.0006867100000000, 0.0001611600000000 ] - [ 0.0001826300000000, -0.0006520900000000, 0.0000793700000000 ] - [ -0.0000727900000000, -0.0007750700000000, -0.0000209300000000 ] - [ -0.0000991300000000, -0.0004856800000000, 0.0000257800000000 ] - [ -0.0001445000000000, 0.0005649500000000, 0.0001009400000000 ] - [ -0.0001273100000000, -0.0005461500000000, -0.0000451600000000 ] - [ -0.0001520800000000, -0.0001038800000000, 0.0000886300000000 ] - [ -0.0008996500000000, -0.0012468900000000, -0.0003454800000000 ] - [ 0.0001274700000000, -0.0009401400000000, -0.0000819500000000 ] - [ 0.0003189800000000, -0.0002086700000000, -0.0002232500000000 ] - [ 0.0000703200000000, -0.0002542400000000, 0.0001038400000000 ] - [ 0.0000098900000000, -0.0000401000000000, 0.0000555900000000 ] - [ 0.0009794300000000, 0.0004421800000000, -0.0001723700000000 ] - [ 0.0002311800000000, -0.0005322000000000, -0.0000491900000000 ] - [ 0.0002791400000000, 0.0018684300000000, 0.0005349500000000 ] - [ -0.0002041200000000, 0.0006776600000000, 0.0001842100000000 ] - [ -0.0001190100000000, -0.0006134700000000, -0.0000754800000000 ] - [ -0.0000128900000000, -0.0002689700000000, -0.0000350500000000 ] - [ -0.0000307900000000, -0.0006583800000000, 0.0001593500000000 ] - [ -0.0006297300000000, -0.0004223300000000, 0.0002967600000000 ] - [ 0.0014218600000000, -0.0010842000000000, -0.0010909400000000 ] - [ 0.0000356900000000, -0.0006501700000000, 0.0000056400000000 ] - [ -0.0000383500000000, 0.0012505500000000, -0.0002367600000000 ] - [ -0.0000588200000000, -0.0008045400000000, 0.0000213900000000 ] - [ 0.0005123000000000, -0.0065743600000000, -0.0000713500000000 ] - [ -0.0000309400000000, -0.0005371900000000, -0.0001655800000000 ] - [ -0.0004341600000000, -0.0006808300000000, 0.0001898200000000 ] - [ -0.0000827400000000, -0.0005044400000000, -0.0001245400000000 ] - [ 0.0002345000000000, -0.0003889200000000, -0.0001184000000000 ] - [ -0.0000229400000000, -0.0004297800000000, 0.0000086700000000 ] - [ -0.0016937100000000, -0.0005073300000000, -0.0015680900000000 ] - [ -0.0000137300000000, -0.0003212700000000, 0.0000333400000000 ] - [ -0.0000635200000000, 0.0003670200000000, -0.0005087200000000 ] - [ 0.0001931100000000, 0.0013042000000000, 0.0009273100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000327200000000, 0.0001797500000000, -0.0001379600000000 ] - [ 0.0000636500000000, -0.0001840300000000, 0.0001378100000000 ] - [ -0.0003751200000000, -0.0003839800000000, 0.0006290700000000 ] - [ -0.0001014100000000, -0.0001143800000000, -0.0001880500000000 ] - [ 0.0000484600000000, -0.0003788800000000, 0.0001442600000000 ] - [ -0.0002592200000000, -0.0000365900000000, 0.0021206600000000 ] - [ 0.0002594000000000, -0.0003809300000000, -0.0011023100000000 ] - [ 0.0001501300000000, 0.0000113100000000, 0.0000286700000000 ] - [ 0.0001309700000000, 0.0000955000000000, -0.0003639200000000 ] - [ 0.0002861500000000, 0.0001567100000000, -0.0001700500000000 ] - [ -0.0002040500000000, -0.0002451800000000, 0.0000992100000000 ] - [ -0.0003976000000000, -0.0006744800000000, 0.0003556800000000 ] - [ 0.0000249700000000, -0.0003972800000000, -0.0001640500000000 ] - [ -0.0001366000000000, -0.0000725000000000, -0.0000584100000000 ] - [ 0.0004555300000000, -0.0003643900000000, -0.0004337200000000 ] - [ 0.0017320500000000, 0.0010925000000000, 0.0028107100000000 ] - [ -0.0000600800000000, -0.0000120400000000, -0.0001144200000000 ] - [ -0.0001874200000000, 0.0000519500000000, 0.0000591100000000 ] - [ -0.0001057100000000, -0.0001175900000000, 0.0001904900000000 ] - [ -0.0002471400000000, 0.0001681100000000, 0.0016994900000000 ] - [ -0.0000195500000000, 0.0002020800000000, 0.0001470800000000 ] - [ -0.0001044800000000, -0.0000121700000000, 0.0000947900000000 ] - [ 0.0000947000000000, -0.0000630600000000, 0.0001660100000000 ] - [ 0.0000589600000000, 0.0004348400000000, -0.0000978100000000 ] - [ 0.0005419800000000, -0.0007004900000000, -0.0007745200000000 ] - [ 0.0001213200000000, -0.0001442100000000, 0.0001029400000000 ] - [ 0.0000919700000000, -0.0001979500000000, -0.0001015800000000 ] - [ 0.0000988000000000, -0.0000669700000000, -0.0001720500000000 ] - [ -0.0000152500000000, 0.0001492000000000, 0.0001626000000000 ] - [ -0.0047189000000000, 0.0235187300000000, 0.0178939700000000 ] - [ 0.0001266900000000, -0.0001056400000000, 0.0002331000000000 ] - [ 0.0005638900000000, -0.0003857500000000, -0.0024199100000000 ] - [ -0.0000734600000000, 0.0008275200000000, -0.0008240200000000 ] - [ 0.0001392500000000, -0.0002582000000000, -0.0000865200000000 ] - [ -0.0000854200000000, -0.0003143000000000, -0.0000525600000000 ] - [ 0.0001233400000000, 0.0000001000000000, 0.0002971100000000 ] - [ 0.0000140600000000, -0.0003372200000000, -0.0001451700000000 ] - [ -0.0000179000000000, 0.0001471000000000, -0.0001277100000000 ] - [ -0.0000790000000000, -0.0000714700000000, 0.0001109700000000 ] - [ 0.0000130700000000, -0.0003407500000000, 0.0001287100000000 ] - [ -0.0003867500000000, 0.0001917700000000, -0.0001520400000000 ] - [ -0.0003466400000000, 0.0001726400000000, 0.0001844100000000 ] - [ 0.0000400200000000, 0.0004466500000000, -0.0006201400000000 ] - [ 0.0009464600000000, 0.0031133600000000, 0.0018625100000000 ] - [ 0.0042308400000000, -0.0254337000000000, -0.0298083700000000 ] - [ 0.0000977600000000, -0.0000031500000000, 0.0000204800000000 ] - [ -0.0005105300000000, -0.0001481600000000, 0.0004167200000000 ] - [ -0.0000594200000000, 0.0000242400000000, 0.0001295900000000 ] - [ -0.0003721400000000, -0.0001148800000000, 0.0006960400000000 ] - [ -0.0015637400000000, 0.0001598800000000, 0.0011809500000000 ] - [ -0.0002896300000000, 0.0000592900000000, -0.0001726600000000 ] - [ -0.0000155300000000, -0.0000449800000000, 0.0000712900000000 ] - [ -0.0015515000000000, -0.0002698700000000, 0.0012940700000000 ] - [ 0.0003501400000000, -0.0000221200000000, -0.0001816700000000 ] - [ -0.0001223200000000, 0.0001253100000000, -0.0000227400000000 ] - [ 0.0003062800000000, 0.0001611200000000, 0.0001299100000000 ] - [ -0.0001434600000000, 0.0001525800000000, -0.0002221600000000 ] - [ 0.0002117700000000, 0.0000516900000000, 0.0000935100000000 ] - [ 0.0003723800000000, 0.0000078700000000, 0.0001574600000000 ] - [ -0.0000847800000000, 0.0001284300000000, 0.0000306100000000 ] - [ -0.0000104100000000, -0.0000120800000000, 0.0000853900000000 ] - [ -0.0000818700000000, 0.0001852000000000, 0.0000060200000000 ] - [ -0.0001429000000000, -0.0000161800000000, -0.0004992800000000 ] - [ -0.0000781900000000, 0.0001966400000000, 0.0000156900000000 ] - [ -0.0004457800000000, -0.0001609400000000, 0.0002398000000000 ] - [ -0.0002259700000000, 0.0003582600000000, 0.0005780000000000 ] - [ 0.0001012700000000, -0.0000553500000000, -0.0000227900000000 ] - [ 0.0002848000000000, 0.0000542100000000, -0.0002650500000000 ] - [ 0.0001414700000000, 0.0000279200000000, 0.0002424400000000 ] - [ 0.0003209400000000, 0.0002045800000000, 0.0001054700000000 ] - [ -0.0006403000000000, 0.0000532500000000, -0.0000261900000000 ] - [ 0.0000946800000000, -0.0000059300000000, -0.0000261500000000 ] - [ 0.0008974100000000, -0.0004931600000000, 0.0018038000000000 ] - [ 0.0001372600000000, -0.0003188200000000, -0.0001726800000000 ] - [ -0.0000863600000000, 0.0001842900000000, -0.0001538800000000 ] - [ 0.0000284700000000, 0.0001522400000000, -0.0000843000000000 ] - [ 0.0000199900000000, 0.0001908800000000, 0.0000556700000000 ] - [ -0.0003080600000000, 0.0000857400000000, 0.0002489800000000 ] - [ -0.0004124400000000, 0.0015998100000000, -0.0003939200000000 ] - [ 0.0000874000000000, -0.0000132500000000, -0.0000124300000000 ] - [ 0.0007166300000000, -0.0002673200000000, -0.0005389900000000 ] - [ -0.0000094100000000, -0.0000112100000000, -0.0000790200000000 ] - [ 0.0001852000000000, -0.0021204200000000, -0.0008504300000000 ] - [ 0.0000241200000000, 0.0001972600000000, -0.0000603600000000 ] - [ -0.0001144200000000, -0.0001361000000000, 0.0001777100000000 ] - [ -0.0000154200000000, -0.0000529000000000, -0.0000727400000000 ] - [ 0.0000354300000000, 0.0001183200000000, -0.0001399100000000 ] - [ -0.0001235800000000, 0.0001324000000000, 0.0000254200000000 ] - [ 0.0005699000000000, 0.0008112900000000, 0.0011634200000000 ] - [ 0.0000240400000000, 0.0001620200000000, 0.0000828600000000 ] - [ 0.0000330400000000, -0.0002743600000000, 0.0004549500000000 ] - [ -0.0000344400000000, -0.0002092300000000, 0.0029470500000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000210400000000, 0.0004275000000000, -0.0001414000000000 ] - [ 0.0001078500000000, -0.0000209300000000, 0.0000513600000000 ] - [ 0.0003179900000000, -0.0002214100000000, -0.0003539400000000 ] - [ -0.0000954100000000, 0.0000735200000000, -0.0001683600000000 ] - [ 0.0000052300000000, -0.0002270000000000, 0.0001353600000000 ] - [ 0.0004188400000000, 0.0001887200000000, -0.0019063900000000 ] - [ -0.0002026100000000, 0.0009963100000000, 0.0008346100000000 ] - [ 0.0000195100000000, 0.0001971100000000, -0.0002204100000000 ] - [ 0.0000652200000000, -0.0001404100000000, 0.0007244500000000 ] - [ 0.0000234200000000, -0.0001520000000000, -0.0000720400000000 ] - [ -0.0001043400000000, 0.0002462200000000, 0.0001429600000000 ] - [ 0.0003420500000000, 0.0000648500000000, -0.0006320500000000 ] - [ 0.0000288400000000, -0.0002079900000000, -0.0001150900000000 ] - [ -0.0001725400000000, 0.0000742100000000, -0.0001824900000000 ] - [ -0.0002021200000000, 0.0003947400000000, -0.0000324500000000 ] - [ -0.0018421900000000, -0.0010415500000000, -0.0031304600000000 ] - [ -0.0001108700000000, 0.0002192300000000, -0.0000747900000000 ] - [ 0.0000159800000000, -0.0002602400000000, 0.0001299600000000 ] - [ -0.0000916300000000, 0.0000765500000000, 0.0001662600000000 ] - [ 0.0000483800000000, -0.0001324000000000, -0.0013521300000000 ] - [ -0.0000347700000000, 0.0004055400000000, 0.0001318700000000 ] - [ -0.0000663100000000, 0.0002191800000000, 0.0000946200000000 ] - [ 0.0001024600000000, 0.0001053000000000, 0.0001910100000000 ] - [ -0.0000057900000000, 0.0001728900000000, 0.0003785000000000 ] - [ -0.0007101500000000, 0.0004924100000000, 0.0005888300000000 ] - [ 0.0001876100000000, 0.0001449500000000, 0.0001393000000000 ] - [ 0.0000786500000000, -0.0000069600000000, -0.0000884200000000 ] - [ 0.0000986600000000, 0.0001092100000000, -0.0001849700000000 ] - [ -0.0000106000000000, 0.0003367300000000, 0.0001000300000000 ] - [ 0.0046340900000000, -0.0235809300000000, -0.0176534500000000 ] - [ 0.0000242800000000, 0.0001049500000000, -0.0000830300000000 ] - [ -0.0005244900000000, 0.0008741500000000, 0.0021726500000000 ] - [ 0.0000986400000000, -0.0003434400000000, 0.0010913800000000 ] - [ 0.0000077900000000, 0.0002582400000000, -0.0000666100000000 ] - [ -0.0000667100000000, 0.0003163300000000, -0.0000950800000000 ] - [ -0.0001505900000000, -0.0004890900000000, -0.0005598300000000 ] - [ 0.0000122200000000, -0.0001468100000000, -0.0001167500000000 ] - [ -0.0000080400000000, 0.0003386500000000, -0.0001245200000000 ] - [ -0.0000725300000000, 0.0000720000000000, 0.0000381700000000 ] - [ 0.0000129700000000, -0.0001435400000000, 0.0001239900000000 ] - [ -0.0003286900000000, 0.0000259700000000, -0.0002134100000000 ] - [ -0.0003686300000000, 0.0000444100000000, 0.0001810800000000 ] - [ 0.0006734100000000, -0.0002233200000000, 0.0002603100000000 ] - [ -0.0008858400000000, -0.0032768500000000, -0.0016824100000000 ] - [ -0.0042815100000000, 0.0247472900000000, 0.0299976700000000 ] - [ 0.0001196200000000, -0.0001377800000000, 0.0000248200000000 ] - [ 0.0003011500000000, 0.0000086000000000, -0.0004622300000000 ] - [ -0.0000438200000000, -0.0000247300000000, 0.0001239200000000 ] - [ 0.0003430300000000, 0.0003266500000000, -0.0005515700000000 ] - [ 0.0015254700000000, 0.0000386300000000, -0.0010257700000000 ] - [ -0.0003311700000000, -0.0000600600000000, -0.0002394700000000 ] - [ -0.0000293000000000, -0.0001522800000000, 0.0000886400000000 ] - [ 0.0014940000000000, 0.0004620700000000, -0.0014560200000000 ] - [ 0.0003656300000000, -0.0001953200000000, -0.0001834000000000 ] - [ -0.0000948800000000, 0.0000145100000000, -0.0000225600000000 ] - [ 0.0003146800000000, -0.0001641900000000, 0.0002854000000000 ] - [ -0.0001187900000000, -0.0001525200000000, -0.0000429200000000 ] - [ 0.0000465900000000, -0.0000542300000000, -0.0003637700000000 ] - [ 0.0003427600000000, -0.0002256300000000, 0.0002082600000000 ] - [ -0.0001764900000000, -0.0001300400000000, 0.0002338700000000 ] - [ -0.0000222700000000, -0.0002008700000000, 0.0000622900000000 ] - [ -0.0000726100000000, 0.0000097600000000, 0.0000110600000000 ] - [ 0.0003612900000000, 0.0001574700000000, 0.0005467300000000 ] - [ -0.0000763600000000, -0.0000015000000000, -0.0000322500000000 ] - [ -0.0002693100000000, -0.0000562500000000, 0.0001254600000000 ] - [ -0.0004906700000000, -0.0005753100000000, -0.0009438400000000 ] - [ 0.0000533200000000, -0.0001420100000000, 0.0000393400000000 ] - [ 0.0003365400000000, -0.0000549000000000, -0.0001482600000000 ] - [ 0.0001207700000000, -0.0000289500000000, 0.0000222300000000 ] - [ 0.0003960500000000, 0.0000146000000000, 0.0002594600000000 ] - [ 0.0008003300000000, 0.0001434700000000, 0.0000097100000000 ] - [ 0.0001225300000000, -0.0001352000000000, -0.0000189900000000 ] - [ -0.0009428100000000, 0.0007141900000000, -0.0019633200000000 ] - [ -0.0000905500000000, 0.0001210700000000, 0.0000148700000000 ] - [ -0.0000173400000000, -0.0001846400000000, -0.0000991000000000 ] - [ 0.0000164400000000, 0.0000441000000000, -0.0000756000000000 ] - [ 0.0000125000000000, 0.0000203400000000, 0.0000930600000000 ] - [ -0.0003132800000000, -0.0000862800000000, 0.0001643200000000 ] - [ 0.0006206000000000, -0.0014605100000000, 0.0003382600000000 ] - [ 0.0000672700000000, -0.0001834100000000, -0.0000044600000000 ] - [ -0.0006817100000000, 0.0000577700000000, 0.0003889300000000 ] - [ -0.0000231500000000, -0.0002020200000000, -0.0000694600000000 ] - [ -0.0000291500000000, 0.0023047300000000, 0.0008627400000000 ] - [ 0.0000085100000000, 0.0000139400000000, -0.0000876000000000 ] - [ 0.0002197700000000, 0.0001376400000000, 0.0000747900000000 ] - [ -0.0000294700000000, -0.0001443600000000, -0.0000870100000000 ] - [ 0.0000693400000000, -0.0001204500000000, -0.0001122400000000 ] - [ -0.0000935200000000, 0.0000074900000000, 0.0000199500000000 ] - [ -0.0007326500000000, -0.0010108100000000, -0.0011903700000000 ] - [ 0.0000207100000000, 0.0000343800000000, 0.0000768500000000 ] - [ -0.0001868800000000, 0.0000786400000000, -0.0004403700000000 ] - [ -0.0001793600000000, 0.0000618600000000, -0.0028783100000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012928900000000, -0.0007768500000000, 0.0000221500000000 ] - [ -0.0001280700000000, 0.0000805000000000, 0.0001902400000000 ] - [ -0.0001211100000000, -0.0000485900000000, 0.0000718400000000 ] - [ 0.0010308300000000, 0.0010690200000000, 0.0008419700000000 ] - [ 0.0001144400000000, -0.0005234600000000, -0.0000717700000000 ] - [ 0.0000415600000000, 0.0002092500000000, 0.0000989500000000 ] - [ 0.0000129900000000, 0.0004282800000000, -0.0001468400000000 ] - [ 0.0001351900000000, 0.0002030700000000, -0.0000876100000000 ] - [ 0.0000970300000000, 0.0001470000000000, 0.0001739900000000 ] - [ -0.0002534500000000, -0.0002424500000000, -0.0000731300000000 ] - [ -0.0002027600000000, 0.0000429100000000, 0.0001457200000000 ] - [ 0.0000274700000000, -0.0003441300000000, -0.0001437000000000 ] - [ -0.0002160300000000, 0.0000275800000000, -0.0002077200000000 ] - [ -0.0001159700000000, 0.0001481200000000, -0.0001318700000000 ] - [ 0.0000914000000000, -0.0000109800000000, -0.0001579300000000 ] - [ -0.0000833500000000, 0.0001172400000000, -0.0001870600000000 ] - [ -0.0009683300000000, -0.0003063000000000, -0.0000702400000000 ] - [ 0.0001265000000000, -0.0000151800000000, 0.0000901700000000 ] - [ -0.0011220400000000, -0.0008264600000000, 0.0000831000000000 ] - [ -0.0001220000000000, 0.0001086000000000, 0.0001922200000000 ] - [ -0.0006541100000000, 0.0007264900000000, -0.0002570000000000 ] - [ 0.0051781900000000, -0.0033271100000000, -0.0033754500000000 ] - [ -0.0000477300000000, -0.0007057600000000, 0.0001389500000000 ] - [ 0.0000350900000000, 0.0003858700000000, 0.0001306500000000 ] - [ -0.0002904500000000, 0.0000148300000000, -0.0000495000000000 ] - [ 0.0003265500000000, 0.0009636300000000, 0.0001810500000000 ] - [ 0.0005092100000000, -0.0001899700000000, 0.0001454000000000 ] - [ 0.0022804400000000, -0.0019014700000000, 0.0026556000000000 ] - [ -0.0018967800000000, -0.0007452100000000, -0.0004023300000000 ] - [ -0.0000757900000000, -0.0001710600000000, 0.0001332300000000 ] - [ 0.0001249600000000, -0.0000287800000000, -0.0000142600000000 ] - [ -0.0000118700000000, 0.0003442400000000, -0.0001199200000000 ] - [ 0.0000345000000000, 0.0003383400000000, 0.0001374300000000 ] - [ -0.0000022800000000, 0.0002157700000000, -0.0001332700000000 ] - [ 0.0005843300000000, -0.0008048700000000, -0.0004525200000000 ] - [ 0.0000611500000000, -0.0001147900000000, -0.0000977800000000 ] - [ -0.0004905300000000, -0.0006051200000000, -0.0002748600000000 ] - [ 0.0665999100000000, 0.0114948200000000, 0.0128935900000000 ] - [ -0.0002836100000000, 0.0011005500000000, 0.0000777000000000 ] - [ 0.0008445100000000, -0.0004571200000000, -0.0004401000000000 ] - [ -0.0007290600000000, 0.0014454300000000, 0.0004330800000000 ] - [ -0.0000991900000000, -0.0010714100000000, 0.0003136900000000 ] - [ 0.0003643700000000, -0.0000394000000000, -0.0001769100000000 ] - [ 0.0000631800000000, -0.0001324300000000, 0.0000891000000000 ] - [ 0.0000384500000000, -0.0001826400000000, 0.0000639000000000 ] - [ -0.0842213200000000, -0.0058015700000000, -0.0158849100000000 ] - [ -0.0001384600000000, -0.0001341700000000, -0.0000275100000000 ] - [ 0.0000729000000000, -0.0005173800000000, 0.0004027900000000 ] - [ -0.0000328300000000, 0.0000213600000000, 0.0000897300000000 ] - [ -0.0000376200000000, 0.0000471700000000, 0.0000759700000000 ] - [ 0.0002419200000000, -0.0002843400000000, -0.0000459400000000 ] - [ -0.0009976600000000, -0.0010062800000000, 0.0006036600000000 ] - [ -0.0000004400000000, 0.0000395800000000, -0.0000734300000000 ] - [ 0.0003876400000000, -0.0003616600000000, -0.0001275900000000 ] - [ -0.0004489400000000, 0.0003525000000000, -0.0000137000000000 ] - [ 0.0003664000000000, -0.0001016200000000, 0.0002238200000000 ] - [ -0.0008151500000000, 0.0004412900000000, -0.0000029100000000 ] - [ 0.0001735600000000, -0.0001496400000000, -0.0001164000000000 ] - [ 0.0003853600000000, 0.0000447300000000, 0.0001736600000000 ] - [ 0.0001783500000000, -0.0002248100000000, 0.0003043300000000 ] - [ -0.0007796200000000, 0.0001898300000000, 0.0000056700000000 ] - [ -0.0004780700000000, -0.0002443800000000, -0.0001086900000000 ] - [ 0.0000616600000000, 0.0000354000000000, -0.0000043900000000 ] - [ 0.0000870600000000, 0.0001245400000000, 0.0000357400000000 ] - [ -0.0003370600000000, -0.0004402200000000, 0.0002116800000000 ] - [ -0.0003608200000000, 0.0001204700000000, -0.0001701000000000 ] - [ 0.0030155300000000, 0.0010054800000000, 0.0007020100000000 ] - [ 0.0002697000000000, -0.0000128200000000, -0.0001978400000000 ] - [ 0.0000695800000000, -0.0000254500000000, 0.0001441200000000 ] - [ 0.0003640900000000, 0.0000719800000000, 0.0001858200000000 ] - [ 0.0000023800000000, -0.0000730100000000, -0.0000462200000000 ] - [ 0.0002226800000000, 0.0000046000000000, 0.0002100600000000 ] - [ 0.0000139900000000, 0.0000036900000000, -0.0000880600000000 ] - [ -0.0000151500000000, -0.0001732900000000, -0.0000900000000000 ] - [ -0.0001517600000000, 0.0002576300000000, 0.0001000500000000 ] - [ 0.0030110900000000, -0.0001445800000000, -0.0004419900000000 ] - [ 0.0012505400000000, -0.0001467600000000, -0.0001760300000000 ] - [ -0.0009010700000000, 0.0000657200000000, -0.0004058900000000 ] - [ 0.0001371600000000, -0.0000073400000000, -0.0000265300000000 ] - [ 0.0034976000000000, -0.0005154500000000, 0.0027574300000000 ] - [ 0.0000061400000000, -0.0002273100000000, -0.0000611800000000 ] - [ 0.0013617900000000, 0.0006735800000000, -0.0004817100000000 ] - [ 0.0001402500000000, 0.0000571100000000, 0.0000070400000000 ] - [ -0.0002629600000000, 0.0014614700000000, 0.0004616600000000 ] - [ 0.0000645300000000, -0.0000268800000000, 0.0001323800000000 ] - [ 0.0005094700000000, -0.0000427300000000, 0.0001681900000000 ] - [ 0.0000432300000000, -0.0001431100000000, -0.0001298600000000 ] - [ 0.0004171100000000, -0.0003036200000000, 0.0002411300000000 ] - [ -0.0000586800000000, -0.0001776900000000, -0.0000054400000000 ] - [ 0.0017791200000000, 0.0005450800000000, -0.0007708500000000 ] - [ -0.0000899400000000, -0.0001871200000000, 0.0000059300000000 ] - [ -0.0001039200000000, -0.0001299900000000, 0.0000223400000000 ]- atom: 46 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013281300000000, 0.0014291500000000, -0.0003435200000000 ] - [ 0.0002969000000000, -0.0002888400000000, 0.0000011600000000 ] - [ 0.0000658400000000, -0.0005576900000000, 0.0002058100000000 ] - [ -0.0012177500000000, -0.0011112300000000, -0.0012066800000000 ] - [ -0.0000603500000000, -0.0000933700000000, 0.0003434800000000 ] - [ 0.0001290100000000, -0.0000057600000000, 0.0000912300000000 ] - [ 0.0000410800000000, 0.0001763000000000, -0.0001330600000000 ] - [ 0.0000363100000000, 0.0000007900000000, -0.0001022900000000 ] - [ 0.0001005000000000, -0.0001893900000000, 0.0001833000000000 ] - [ 0.0005594100000000, 0.0002229700000000, -0.0001738800000000 ] - [ -0.0001072600000000, -0.0000452400000000, 0.0000964900000000 ] - [ -0.0000819600000000, -0.0002697300000000, -0.0001346000000000 ] - [ 0.0002674800000000, -0.0006348100000000, -0.0000757400000000 ] - [ -0.0001921200000000, -0.0001499800000000, -0.0001097500000000 ] - [ 0.0001061800000000, -0.0000339100000000, -0.0001991100000000 ] - [ -0.0001137100000000, -0.0000782600000000, -0.0001694600000000 ] - [ 0.0007876600000000, 0.0005159200000000, -0.0001146300000000 ] - [ -0.0002929600000000, -0.0001959600000000, 0.0000981100000000 ] - [ 0.0009029400000000, 0.0007741300000000, 0.0002742300000000 ] - [ -0.0000756700000000, -0.0000696500000000, 0.0001643600000000 ] - [ 0.0005606300000000, -0.0001122100000000, 0.0005234500000000 ] - [ -0.0053020200000000, 0.0034784100000000, 0.0034951200000000 ] - [ 0.0002423500000000, 0.0007452500000000, 0.0002186800000000 ] - [ 0.0000193000000000, 0.0002179100000000, 0.0001488600000000 ] - [ 0.0001162900000000, -0.0002229600000000, -0.0001390700000000 ] - [ -0.0000128300000000, -0.0009474300000000, 0.0000640300000000 ] - [ -0.0003314500000000, -0.0000226700000000, -0.0003290900000000 ] - [ -0.0021798000000000, 0.0020163700000000, -0.0031478600000000 ] - [ 0.0018472100000000, 0.0012763600000000, 0.0006991400000000 ] - [ 0.0000485200000000, -0.0003167800000000, 0.0001196500000000 ] - [ 0.0000270800000000, 0.0000235400000000, 0.0001618200000000 ] - [ 0.0000382600000000, 0.0001380200000000, -0.0001329400000000 ] - [ -0.0000076400000000, 0.0001447300000000, 0.0001246600000000 ] - [ 0.0001521200000000, -0.0002164100000000, -0.0000168400000000 ] - [ -0.0007376900000000, 0.0007969700000000, 0.0003088600000000 ] - [ -0.0000855900000000, -0.0003711800000000, -0.0001632900000000 ] - [ 0.0005201200000000, 0.0001166900000000, 0.0000084800000000 ] - [ -0.0639305400000000, -0.0102723800000000, -0.0124813400000000 ] - [ 0.0001310000000000, -0.0010859300000000, 0.0000689200000000 ] - [ -0.0008070700000000, -0.0000187700000000, 0.0006889500000000 ] - [ 0.0000208100000000, -0.0012306100000000, -0.0008062500000000 ] - [ -0.0006218600000000, 0.0012742600000000, 0.0000450500000000 ] - [ 0.0003507900000000, 0.0002582000000000, -0.0001887300000000 ] - [ -0.0000174700000000, -0.0000627100000000, 0.0000703800000000 ] - [ -0.0000056500000000, -0.0000259500000000, 0.0000848000000000 ] - [ 0.0815802800000000, 0.0048900300000000, 0.0154280100000000 ] - [ -0.0000791300000000, -0.0000045500000000, -0.0000178600000000 ] - [ -0.0001761500000000, 0.0005132800000000, -0.0001434300000000 ] - [ -0.0000000100000000, 0.0001926600000000, 0.0000587500000000 ] - [ -0.0000071100000000, 0.0001513100000000, 0.0000835200000000 ] - [ -0.0008514800000000, 0.0002810100000000, -0.0003603000000000 ] - [ 0.0009490500000000, 0.0007795300000000, -0.0004338100000000 ] - [ -0.0000440000000000, 0.0001585400000000, -0.0000865700000000 ] - [ 0.0003277600000000, 0.0001432800000000, -0.0002371100000000 ] - [ 0.0002265700000000, -0.0002108200000000, -0.0000326200000000 ] - [ 0.0002560200000000, 0.0001025500000000, 0.0001895600000000 ] - [ 0.0005451000000000, -0.0004190700000000, -0.0002607700000000 ] - [ 0.0000890400000000, 0.0001508700000000, -0.0001479200000000 ] - [ 0.0003318000000000, -0.0002554500000000, 0.0001906700000000 ] - [ -0.0004322600000000, 0.0002249700000000, -0.0000403300000000 ] - [ 0.0007391800000000, -0.0004116000000000, 0.0001497500000000 ] - [ 0.0003189500000000, 0.0004387600000000, 0.0001278900000000 ] - [ 0.0001555800000000, 0.0001076000000000, 0.0000495000000000 ] - [ -0.0002403800000000, 0.0000735800000000, -0.0000507700000000 ] - [ -0.0003779600000000, 0.0002190000000000, 0.0001547300000000 ] - [ -0.0003532400000000, -0.0003348600000000, -0.0001948500000000 ] - [ -0.0028623100000000, -0.0012018200000000, -0.0006991200000000 ] - [ 0.0003513700000000, 0.0000157300000000, -0.0002154300000000 ] - [ 0.0001914900000000, 0.0000290400000000, 0.0001211700000000 ] - [ 0.0003510300000000, 0.0001482200000000, 0.0001798800000000 ] - [ 0.0001501100000000, 0.0002691400000000, 0.0000285900000000 ] - [ 0.0000087500000000, -0.0001568600000000, -0.0002603600000000 ] - [ -0.0000463600000000, 0.0002101000000000, -0.0000598300000000 ] - [ 0.0000587800000000, -0.0000226800000000, -0.0000693800000000 ] - [ 0.0000529400000000, -0.0002512300000000, -0.0003561800000000 ] - [ -0.0028509200000000, 0.0003251100000000, 0.0002392800000000 ] - [ -0.0012261200000000, 0.0003554900000000, 0.0003271500000000 ] - [ 0.0002736600000000, -0.0000590500000000, 0.0008157300000000 ] - [ 0.0000816500000000, 0.0001488200000000, -0.0000189800000000 ] - [ -0.0032575000000000, 0.0002579000000000, -0.0026853200000000 ] - [ 0.0000258700000000, 0.0000178000000000, -0.0000882700000000 ] - [ -0.0013868600000000, -0.0008836700000000, 0.0003306100000000 ] - [ 0.0000154800000000, 0.0001425500000000, 0.0000096200000000 ] - [ 0.0003377400000000, -0.0011881000000000, -0.0005703600000000 ] - [ 0.0000392300000000, 0.0000292300000000, 0.0001203100000000 ] - [ -0.0005515400000000, -0.0001565700000000, -0.0003235300000000 ] - [ 0.0000601000000000, 0.0001436800000000, -0.0001231600000000 ] - [ -0.0006265900000000, 0.0004487500000000, -0.0002001600000000 ] - [ -0.0000955500000000, -0.0000160100000000, -0.0000117700000000 ] - [ -0.0017324200000000, -0.0003570500000000, 0.0009289600000000 ] - [ -0.0000649000000000, -0.0000066100000000, 0.0000108100000000 ] - [ -0.0001130300000000, -0.0000087500000000, 0.0000228700000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005503400000000, 0.0101016500000000, -0.0104044100000000 ] - [ 0.0001507600000000, -0.0002952100000000, 0.0001308300000000 ] - [ 0.0000807300000000, -0.0006387300000000, 0.0002012800000000 ] - [ -0.0000218400000000, 0.0048740800000000, 0.0024919600000000 ] - [ -0.0001759400000000, -0.0008869600000000, -0.0001304700000000 ] - [ 0.0001245400000000, -0.0003706900000000, 0.0000803100000000 ] - [ 0.0000594000000000, -0.0002072500000000, -0.0001201000000000 ] - [ 0.0000449300000000, -0.0004147500000000, -0.0001027700000000 ] - [ 0.0001394600000000, -0.0004317300000000, 0.0002381600000000 ] - [ -0.0005261000000000, 0.0001380500000000, -0.0002418300000000 ] - [ -0.0001476200000000, -0.0003365200000000, 0.0001470400000000 ] - [ -0.0002691700000000, -0.0011194800000000, 0.0000291300000000 ] - [ 0.0006213300000000, -0.0007220000000000, -0.0000493200000000 ] - [ -0.0001482100000000, -0.0004936600000000, -0.0000688300000000 ] - [ 0.0000805400000000, -0.0004446000000000, -0.0002372500000000 ] - [ -0.0000953000000000, -0.0004685500000000, -0.0001105700000000 ] - [ -0.0000808500000000, 0.0009014200000000, -0.0002405900000000 ] - [ 0.0000833100000000, -0.0008875400000000, -0.0000739100000000 ] - [ -0.0005385800000000, 0.0004893100000000, 0.0005159300000000 ] - [ -0.0000692500000000, -0.0004018600000000, 0.0001314800000000 ] - [ 0.0004907500000000, 0.0010874900000000, 0.0001733500000000 ] - [ -0.0027610600000000, 0.0045001100000000, 0.0027735000000000 ] - [ 0.0000193600000000, 0.0014673500000000, -0.0000099900000000 ] - [ 0.0000060800000000, -0.0001781400000000, 0.0001504900000000 ] - [ -0.0001737700000000, -0.0004484500000000, -0.0001225100000000 ] - [ 0.0006615100000000, -0.0002906300000000, 0.0001891400000000 ] - [ -0.0004523600000000, -0.0009237600000000, -0.0000032600000000 ] - [ -0.0017829000000000, 0.0023422100000000, -0.0030068400000000 ] - [ 0.0002116100000000, 0.0008453400000000, -0.0003430700000000 ] - [ -0.0000395200000000, -0.0006775300000000, 0.0000680700000000 ] - [ 0.0000275700000000, -0.0004641300000000, 0.0000675100000000 ] - [ 0.0000198100000000, -0.0001990400000000, -0.0001212900000000 ] - [ 0.0000306400000000, -0.0002653500000000, 0.0001375400000000 ] - [ 0.0001955600000000, -0.0005627600000000, -0.0001086700000000 ] - [ -0.0006012200000000, -0.0002742500000000, 0.0003432100000000 ] - [ 0.0000880900000000, -0.0007564800000000, -0.0001258900000000 ] - [ 0.0002583900000000, 0.0004885100000000, -0.0006090900000000 ] - [ 0.0115007400000000, 0.0105714800000000, 0.0025250800000000 ] - [ 0.0001098700000000, -0.0002837600000000, -0.0003375600000000 ] - [ -0.0008904300000000, 0.0007873600000000, 0.0013839500000000 ] - [ 0.0001450400000000, 0.0001503300000000, 0.0001820100000000 ] - [ -0.0007974600000000, 0.0000179700000000, 0.0003675400000000 ] - [ 0.0003283100000000, 0.0005960900000000, -0.0001836000000000 ] - [ 0.0000937900000000, 0.0001823400000000, 0.0000560600000000 ] - [ -0.0000077700000000, 0.0003216000000000, 0.0001410600000000 ] - [ -0.0051868900000000, -0.0383970300000000, 0.0060682200000000 ] - [ -0.0000433600000000, 0.0002315200000000, -0.0000141100000000 ] - [ -0.0003193000000000, 0.0002962900000000, -0.0001094500000000 ] - [ -0.0000460000000000, 0.0006051500000000, 0.0000117100000000 ] - [ -0.0000388300000000, 0.0003999900000000, 0.0001155900000000 ] - [ -0.0005836700000000, -0.0000014300000000, -0.0002811400000000 ] - [ -0.0002612300000000, 0.0054368700000000, -0.0022900200000000 ] - [ -0.0000476300000000, 0.0003397600000000, -0.0001086400000000 ] - [ 0.0002823300000000, 0.0003219500000000, -0.0002496200000000 ] - [ 0.0001739400000000, -0.0002470200000000, -0.0002026000000000 ] - [ 0.0002469600000000, 0.0002958500000000, 0.0002242100000000 ] - [ -0.0002097500000000, 0.0022568400000000, -0.0002022900000000 ] - [ 0.0000756000000000, 0.0004014600000000, -0.0002067800000000 ] - [ 0.0005653200000000, 0.0002980000000000, 0.0001277000000000 ] - [ -0.0001748600000000, -0.0001732600000000, 0.0002346300000000 ] - [ 0.0000779100000000, -0.0014761500000000, -0.0000587100000000 ] - [ 0.0003360700000000, 0.0005207500000000, 0.0002232400000000 ] - [ 0.0001442900000000, 0.0005217700000000, 0.0000259600000000 ] - [ -0.0002111400000000, 0.0000688200000000, 0.0001617900000000 ] - [ -0.0004966900000000, 0.0001734300000000, 0.0002389300000000 ] - [ -0.0002403600000000, 0.0001493300000000, -0.0001819500000000 ] - [ 0.0007423000000000, -0.0000335900000000, 0.0003400300000000 ] - [ 0.0003600400000000, 0.0003220100000000, -0.0001942400000000 ] - [ 0.0002118900000000, 0.0004132300000000, 0.0001159200000000 ] - [ 0.0003453600000000, 0.0005050900000000, 0.0001943100000000 ] - [ -0.0000383200000000, 0.0005316100000000, -0.0000248500000000 ] - [ 0.0001873600000000, -0.0003860700000000, 0.0001420000000000 ] - [ -0.0000451400000000, 0.0005175000000000, -0.0000184100000000 ] - [ -0.0000792900000000, 0.0001706000000000, -0.0000527700000000 ] - [ 0.0003702000000000, 0.0002500300000000, -0.0002438300000000 ] - [ -0.0004545800000000, -0.0016260800000000, 0.0000642800000000 ] - [ -0.0005171000000000, -0.0003884100000000, 0.0001591400000000 ] - [ -0.0000473200000000, 0.0010683100000000, 0.0000803500000000 ] - [ 0.0001860600000000, 0.0003015100000000, -0.0000334100000000 ] - [ -0.0029928000000000, -0.0014641700000000, -0.0021776200000000 ] - [ -0.0000291000000000, 0.0003546400000000, -0.0001387200000000 ] - [ -0.0002772900000000, -0.0007241800000000, 0.0000061800000000 ] - [ 0.0000941200000000, 0.0004223700000000, 0.0000111800000000 ] - [ 0.0029341000000000, 0.0012670600000000, 0.0014630600000000 ] - [ 0.0000849600000000, 0.0002568100000000, 0.0001198200000000 ] - [ 0.0002483300000000, -0.0004518400000000, 0.0003606100000000 ] - [ -0.0000062600000000, 0.0004973300000000, -0.0000907900000000 ] - [ -0.0004862500000000, -0.0001830800000000, 0.0003910300000000 ] - [ -0.0001050700000000, 0.0002823500000000, -0.0000223600000000 ] - [ -0.0000360600000000, -0.0009107900000000, 0.0002135000000000 ] - [ -0.0000876100000000, 0.0003377700000000, 0.0000276300000000 ] - [ -0.0000476400000000, 0.0002282400000000, 0.0000084700000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004788800000000, -0.0096532200000000, 0.0104095200000000 ] - [ 0.0000213200000000, 0.0000923800000000, 0.0000585200000000 ] - [ -0.0001349400000000, 0.0000320200000000, 0.0000774800000000 ] - [ -0.0002079800000000, -0.0047565600000000, -0.0026844600000000 ] - [ 0.0002288200000000, 0.0002825100000000, 0.0004094500000000 ] - [ 0.0000468200000000, 0.0005780500000000, 0.0001088500000000 ] - [ -0.0000047900000000, 0.0008151600000000, -0.0001587500000000 ] - [ 0.0001249200000000, 0.0006225200000000, -0.0000866200000000 ] - [ 0.0000575000000000, 0.0003908700000000, 0.0001185500000000 ] - [ 0.0008356900000000, -0.0001365600000000, 0.0000008200000000 ] - [ -0.0001614300000000, 0.0003383400000000, 0.0000947100000000 ] - [ 0.0002162100000000, 0.0005151800000000, -0.0003087400000000 ] - [ -0.0005645800000000, 0.0001185800000000, -0.0002288700000000 ] - [ -0.0001613300000000, 0.0004943300000000, -0.0001726800000000 ] - [ 0.0001170700000000, 0.0004039400000000, -0.0001192900000000 ] - [ -0.0001020900000000, 0.0005105700000000, -0.0002467800000000 ] - [ -0.0000888600000000, -0.0006999400000000, 0.0000505800000000 ] - [ -0.0002557700000000, 0.0006834900000000, 0.0002637000000000 ] - [ 0.0003429600000000, -0.0005260700000000, -0.0001584000000000 ] - [ -0.0001281100000000, 0.0004438000000000, 0.0002254500000000 ] - [ -0.0005390500000000, -0.0004888700000000, 0.0001085900000000 ] - [ 0.0026755100000000, -0.0043879700000000, -0.0027094600000000 ] - [ 0.0001785200000000, -0.0014258900000000, 0.0003654800000000 ] - [ 0.0000479000000000, 0.0007863100000000, 0.0001284100000000 ] - [ 0.0000035900000000, 0.0002420500000000, -0.0000667900000000 ] - [ -0.0003546100000000, 0.0002843700000000, 0.0000526400000000 ] - [ 0.0006187800000000, 0.0007197100000000, -0.0001874500000000 ] - [ 0.0019669300000000, -0.0023404600000000, 0.0026325400000000 ] - [ -0.0002370400000000, -0.0003720200000000, 0.0006039500000000 ] - [ 0.0000135400000000, 0.0001919400000000, 0.0001854200000000 ] - [ 0.0001228400000000, 0.0004662100000000, 0.0000828000000000 ] - [ 0.0000068800000000, 0.0006859200000000, -0.0001324800000000 ] - [ -0.0000047200000000, 0.0007530100000000, 0.0001251300000000 ] - [ -0.0000435900000000, 0.0005635300000000, -0.0000417400000000 ] - [ 0.0004535600000000, 0.0002764100000000, -0.0004971000000000 ] - [ -0.0001152500000000, 0.0002719700000000, -0.0001371700000000 ] - [ -0.0002307200000000, -0.0009684500000000, 0.0003477000000000 ] - [ -0.0115979800000000, -0.0102362300000000, -0.0027854700000000 ] - [ -0.0002610100000000, 0.0002778200000000, 0.0004896600000000 ] - [ 0.0009164900000000, -0.0012651200000000, -0.0011342800000000 ] - [ -0.0008637300000000, 0.0000672500000000, -0.0005487500000000 ] - [ 0.0000822000000000, 0.0002105200000000, -0.0000094900000000 ] - [ 0.0003872900000000, -0.0003784800000000, -0.0001819100000000 ] - [ -0.0000489600000000, -0.0003797300000000, 0.0001046400000000 ] - [ 0.0000404200000000, -0.0005351700000000, 0.0000064100000000 ] - [ 0.0054935000000000, 0.0384681200000000, -0.0063046800000000 ] - [ -0.0001731400000000, -0.0003725800000000, -0.0000309600000000 ] - [ 0.0002155200000000, -0.0002955800000000, 0.0003634400000000 ] - [ 0.0000135500000000, -0.0003935900000000, 0.0001364600000000 ] - [ -0.0000062900000000, -0.0002040400000000, 0.0000447100000000 ] - [ -0.0000373600000000, 0.0000025900000000, -0.0001332800000000 ] - [ 0.0002054500000000, -0.0055315200000000, 0.0024156500000000 ] - [ 0.0000021500000000, -0.0001437700000000, -0.0000523600000000 ] - [ 0.0004335300000000, -0.0005431900000000, -0.0001158600000000 ] - [ -0.0003895800000000, 0.0003853300000000, 0.0001586100000000 ] - [ 0.0003725800000000, -0.0002964000000000, 0.0001892100000000 ] - [ -0.0000485300000000, -0.0022775700000000, -0.0000612300000000 ] - [ 0.0001854600000000, -0.0004023900000000, -0.0000589500000000 ] - [ 0.0001506200000000, -0.0005189500000000, 0.0002378500000000 ] - [ -0.0000880500000000, 0.0001749200000000, 0.0000300800000000 ] - [ -0.0001114500000000, 0.0012604000000000, 0.0002125700000000 ] - [ -0.0004878400000000, -0.0003242300000000, -0.0002058800000000 ] - [ 0.0000722500000000, -0.0003830500000000, 0.0000191300000000 ] - [ 0.0000545400000000, 0.0001245200000000, -0.0001778400000000 ] - [ -0.0002184700000000, -0.0003904100000000, 0.0001259700000000 ] - [ -0.0004759200000000, -0.0003675800000000, -0.0001831800000000 ] - [ -0.0006313400000000, -0.0001856500000000, -0.0003256500000000 ] - [ 0.0002610000000000, -0.0003228600000000, -0.0002192000000000 ] - [ 0.0000503600000000, -0.0004141900000000, 0.0001486400000000 ] - [ 0.0003703500000000, -0.0002886400000000, 0.0001710800000000 ] - [ 0.0001939500000000, -0.0003357200000000, 0.0000088400000000 ] - [ 0.0000261400000000, 0.0002482700000000, -0.0001867500000000 ] - [ 0.0000123200000000, -0.0003054300000000, -0.0001291800000000 ] - [ 0.0001252200000000, -0.0003677900000000, -0.0001079600000000 ] - [ -0.0004756100000000, -0.0002500300000000, -0.0000102400000000 ] - [ 0.0004811100000000, 0.0018290900000000, -0.0002265700000000 ] - [ 0.0005558600000000, 0.0006000600000000, -0.0000146600000000 ] - [ -0.0005735700000000, -0.0010740500000000, 0.0003338000000000 ] - [ 0.0000300200000000, -0.0001613600000000, -0.0000116700000000 ] - [ 0.0031546400000000, 0.0012793200000000, 0.0021758400000000 ] - [ 0.0000619000000000, -0.0005679900000000, -0.0000094800000000 ] - [ 0.0002428000000000, 0.0005059100000000, -0.0001506500000000 ] - [ 0.0000605700000000, -0.0002265900000000, 0.0000052500000000 ] - [ -0.0028840400000000, -0.0010466100000000, -0.0015970500000000 ] - [ 0.0000193300000000, -0.0002579100000000, 0.0001335500000000 ] - [ -0.0002957700000000, 0.0002543500000000, -0.0005240600000000 ] - [ 0.0001100000000000, -0.0004967000000000, -0.0001628800000000 ] - [ 0.0002659500000000, 0.0003195500000000, -0.0003423700000000 ] - [ -0.0000498700000000, -0.0004794400000000, 0.0000057000000000 ] - [ 0.0000842400000000, 0.0011096900000000, -0.0000531300000000 ] - [ -0.0000671800000000, -0.0005349200000000, -0.0000115900000000 ] - [ -0.0001690500000000, -0.0003694100000000, 0.0000365400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000864100000000, -0.0097572900000000, 0.0135299400000000 ] - [ 0.0000690100000000, -0.0000869100000000, 0.0000625700000000 ] - [ 0.0000021500000000, -0.0002854900000000, 0.0001125000000000 ] - [ -0.0003380000000000, 0.0028084600000000, 0.0026007900000000 ] - [ -0.0000099400000000, -0.0003688600000000, -0.0000302100000000 ] - [ 0.0000838000000000, 0.0001279900000000, 0.0000866400000000 ] - [ 0.0000199000000000, 0.0003336200000000, -0.0001340000000000 ] - [ 0.0001013500000000, 0.0001294100000000, -0.0000834300000000 ] - [ 0.0000973700000000, 0.0000187200000000, 0.0001789600000000 ] - [ 0.0000927500000000, -0.0002001300000000, -0.0000028500000000 ] - [ -0.0001737100000000, 0.0000273800000000, 0.0001422800000000 ] - [ -0.0000731600000000, -0.0002830800000000, -0.0001558600000000 ] - [ -0.0001724700000000, -0.0001589800000000, -0.0001883400000000 ] - [ -0.0001299100000000, 0.0000013100000000, -0.0001459700000000 ] - [ 0.0000959200000000, -0.0000285400000000, -0.0001762400000000 ] - [ -0.0000956900000000, 0.0000248200000000, -0.0001777300000000 ] - [ -0.0000132000000000, 0.0002011400000000, -0.0002969900000000 ] - [ -0.0000599200000000, -0.0001252300000000, 0.0000616000000000 ] - [ -0.0000471300000000, 0.0005051600000000, 0.0007520200000000 ] - [ -0.0001030500000000, 0.0000347700000000, 0.0001809900000000 ] - [ 0.0000422600000000, -0.0002186900000000, 0.0006974000000000 ] - [ -0.0024115400000000, 0.0016670100000000, 0.0034095000000000 ] - [ 0.0000779400000000, -0.0002100900000000, -0.0010106500000000 ] - [ 0.0000275400000000, 0.0003183900000000, 0.0001385500000000 ] - [ -0.0000732700000000, -0.0000370400000000, -0.0000901000000000 ] - [ 0.0000846300000000, 0.0009764900000000, 0.0002247000000000 ] - [ 0.0003703600000000, -0.0000821400000000, 0.0001420700000000 ] - [ 0.0031528600000000, -0.0026184700000000, 0.0045627200000000 ] - [ -0.0001108200000000, 0.0005053600000000, 0.0011870100000000 ] - [ -0.0000244400000000, -0.0002270600000000, 0.0001292900000000 ] - [ 0.0000874800000000, -0.0000212200000000, 0.0000406700000000 ] - [ 0.0000094300000000, 0.0002625200000000, -0.0001215300000000 ] - [ 0.0000148800000000, 0.0002570100000000, 0.0001284500000000 ] - [ 0.0001031400000000, -0.0000186700000000, 0.0000983800000000 ] - [ 0.0004228100000000, -0.0004266200000000, -0.0008709100000000 ] - [ 0.0000012300000000, -0.0002209500000000, -0.0001018700000000 ] - [ -0.0000735700000000, 0.0003981300000000, -0.0004512800000000 ] - [ 0.0127786300000000, 0.0028890800000000, 0.0109566600000000 ] - [ 0.0000594400000000, 0.0004092600000000, 0.0000186300000000 ] - [ 0.0003916500000000, 0.0009955200000000, -0.0003396600000000 ] - [ -0.0001435600000000, 0.0010729800000000, 0.0006831200000000 ] - [ -0.0005795300000000, -0.0003201200000000, 0.0006532600000000 ] - [ 0.0003530300000000, 0.0001485300000000, -0.0001949800000000 ] - [ 0.0000508100000000, -0.0001154700000000, 0.0000819100000000 ] - [ 0.0000187300000000, -0.0001146300000000, 0.0000718400000000 ] - [ -0.0154324800000000, 0.0062851300000000, -0.0430363400000000 ] - [ -0.0001132400000000, -0.0000788400000000, -0.0000203900000000 ] - [ -0.0004258900000000, 0.0002676700000000, 0.0002125300000000 ] - [ -0.0000234900000000, 0.0000920500000000, 0.0000770300000000 ] - [ -0.0000252600000000, 0.0000849600000000, 0.0000793600000000 ] - [ -0.0000114400000000, -0.0001269000000000, 0.0000237600000000 ] - [ 0.0000484500000000, -0.0022816400000000, 0.0001760700000000 ] - [ -0.0000180900000000, 0.0000877300000000, -0.0000794900000000 ] - [ 0.0003002400000000, 0.0000870100000000, -0.0003625100000000 ] - [ -0.0000981500000000, -0.0001107000000000, 0.0001094400000000 ] - [ 0.0003196000000000, -0.0000260600000000, 0.0001883000000000 ] - [ -0.0000982900000000, 0.0001358700000000, -0.0011289600000000 ] - [ 0.0001356600000000, -0.0000684800000000, -0.0000911000000000 ] - [ 0.0003985400000000, -0.0000077700000000, 0.0001369700000000 ] - [ -0.0000609000000000, 0.0000779700000000, -0.0000983300000000 ] - [ -0.0004276900000000, -0.0010076400000000, 0.0029705000000000 ] - [ 0.0001987100000000, 0.0002272900000000, 0.0005422800000000 ] - [ 0.0000814200000000, 0.0000667800000000, 0.0000283100000000 ] - [ -0.0001278600000000, 0.0000437500000000, 0.0000354800000000 ] - [ -0.0003060900000000, -0.0002037900000000, 0.0002449300000000 ] - [ -0.0003624000000000, 0.0000534600000000, -0.0001470300000000 ] - [ 0.0008228300000000, 0.0002158200000000, 0.0002691200000000 ] - [ 0.0003141600000000, -0.0000044200000000, -0.0002125500000000 ] - [ 0.0001377700000000, -0.0000050000000000, 0.0001511900000000 ] - [ 0.0003593900000000, 0.0001057600000000, 0.0001844800000000 ] - [ 0.0000422900000000, 0.0000371400000000, -0.0000374300000000 ] - [ -0.0001298200000000, -0.0002334300000000, -0.0002199900000000 ] - [ -0.0000080600000000, 0.0000815900000000, -0.0000740400000000 ] - [ 0.0000288900000000, -0.0001017500000000, -0.0000734900000000 ] - [ -0.0004255100000000, -0.0003074200000000, 0.0004313500000000 ] - [ -0.0038800500000000, 0.0003343500000000, -0.0008282600000000 ] - [ -0.0000214200000000, 0.0001868800000000, -0.0004477500000000 ] - [ 0.0001176400000000, -0.0000278000000000, 0.0015836500000000 ] - [ 0.0001119800000000, 0.0000590800000000, -0.0000347100000000 ] - [ 0.0048443000000000, -0.0016972600000000, 0.0010784800000000 ] - [ 0.0000125200000000, -0.0001330300000000, -0.0000779600000000 ] - [ 0.0001394200000000, -0.0005225600000000, 0.0003663100000000 ] - [ 0.0000750700000000, 0.0000907900000000, 0.0000147900000000 ] - [ 0.0013072100000000, 0.0011795700000000, -0.0004480100000000 ] - [ 0.0000537200000000, -0.0000059000000000, 0.0001318000000000 ] - [ 0.0001645700000000, -0.0002726600000000, 0.0001796000000000 ] - [ 0.0000459100000000, -0.0000944700000000, -0.0001518100000000 ] - [ -0.0003303400000000, -0.0002967300000000, 0.0006357900000000 ] - [ -0.0000726700000000, -0.0001163400000000, -0.0000088100000000 ] - [ -0.0015364700000000, -0.0000567400000000, 0.0013306300000000 ] - [ -0.0000790800000000, -0.0001161600000000, 0.0000113500000000 ] - [ -0.0001081700000000, -0.0000845200000000, 0.0000256000000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001688600000000, 0.0099952900000000, -0.0134803000000000 ] - [ 0.0001037800000000, -0.0001194900000000, 0.0001252500000000 ] - [ -0.0000558200000000, -0.0003207100000000, 0.0001673200000000 ] - [ 0.0001124700000000, -0.0027242700000000, -0.0028735600000000 ] - [ 0.0000637500000000, -0.0002338100000000, 0.0003123000000000 ] - [ 0.0000875800000000, 0.0000790100000000, 0.0001027500000000 ] - [ 0.0000342800000000, 0.0002742200000000, -0.0001449200000000 ] - [ 0.0000688400000000, 0.0000782400000000, -0.0001057900000000 ] - [ 0.0000998300000000, -0.0000599900000000, 0.0001778000000000 ] - [ 0.0002129900000000, 0.0002068500000000, -0.0002369100000000 ] - [ -0.0001352000000000, -0.0000262800000000, 0.0000995100000000 ] - [ 0.0000175700000000, -0.0003224800000000, -0.0001211400000000 ] - [ 0.0002256700000000, -0.0004480300000000, -0.0000897900000000 ] - [ -0.0001796800000000, -0.0000011200000000, -0.0000963500000000 ] - [ 0.0001012200000000, -0.0000119400000000, -0.0001802400000000 ] - [ -0.0001018700000000, 0.0000166100000000, -0.0001790900000000 ] - [ -0.0001551900000000, 0.0000030600000000, 0.0001051400000000 ] - [ -0.0001109200000000, -0.0000806300000000, 0.0001261900000000 ] - [ -0.0001404000000000, -0.0005428000000000, -0.0003955500000000 ] - [ -0.0000941100000000, 0.0000069300000000, 0.0001760100000000 ] - [ -0.0000839000000000, 0.0008211800000000, -0.0004129400000000 ] - [ 0.0023253100000000, -0.0015944300000000, -0.0033228600000000 ] - [ 0.0001176200000000, 0.0002515200000000, 0.0013680300000000 ] - [ 0.0000266400000000, 0.0002896100000000, 0.0001405600000000 ] - [ -0.0000965800000000, -0.0001680100000000, -0.0001000400000000 ] - [ 0.0002253300000000, -0.0009818300000000, 0.0000166700000000 ] - [ -0.0002007400000000, -0.0001201500000000, -0.0003336800000000 ] - [ -0.0030942100000000, 0.0027374800000000, -0.0050247200000000 ] - [ 0.0000844400000000, -0.0000297700000000, -0.0009442900000000 ] - [ -0.0000014700000000, -0.0002568200000000, 0.0001227500000000 ] - [ 0.0000632500000000, 0.0000228000000000, 0.0001092800000000 ] - [ 0.0000168400000000, 0.0002229200000000, -0.0001310900000000 ] - [ 0.0000108900000000, 0.0002292100000000, 0.0001333200000000 ] - [ 0.0000482100000000, 0.0000178000000000, -0.0002455900000000 ] - [ -0.0005730600000000, 0.0004279500000000, 0.0007146300000000 ] - [ -0.0000272800000000, -0.0002629100000000, -0.0001599200000000 ] - [ 0.0001011500000000, -0.0008830600000000, 0.0001933900000000 ] - [ -0.0128525300000000, -0.0024057400000000, -0.0113070900000000 ] - [ -0.0002105500000000, -0.0004179800000000, 0.0001343800000000 ] - [ -0.0003689200000000, -0.0014917800000000, 0.0005868900000000 ] - [ -0.0005728700000000, -0.0008533100000000, -0.0010459500000000 ] - [ -0.0001379100000000, 0.0005528500000000, -0.0002942000000000 ] - [ 0.0003624500000000, 0.0000697600000000, -0.0001707600000000 ] - [ -0.0000054500000000, -0.0000818000000000, 0.0000787800000000 ] - [ 0.0000138600000000, -0.0000985500000000, 0.0000760300000000 ] - [ 0.0158678400000000, -0.0060913700000000, 0.0430258400000000 ] - [ -0.0001036400000000, -0.0000619300000000, -0.0000246700000000 ] - [ 0.0003236300000000, -0.0002684600000000, 0.0000410900000000 ] - [ -0.0000088100000000, 0.0001198100000000, 0.0000714000000000 ] - [ -0.0000194900000000, 0.0001113300000000, 0.0000808500000000 ] - [ -0.0006125700000000, 0.0001277300000000, -0.0004396600000000 ] - [ -0.0000925400000000, 0.0020817200000000, -0.0000078600000000 ] - [ -0.0000272300000000, 0.0001084500000000, -0.0000810900000000 ] - [ 0.0004142800000000, -0.0003024500000000, -0.0000042900000000 ] - [ -0.0001170900000000, 0.0002505000000000, -0.0001531000000000 ] - [ 0.0003006800000000, 0.0000258600000000, 0.0002246900000000 ] - [ -0.0001616700000000, -0.0001263500000000, 0.0008634100000000 ] - [ 0.0001258800000000, 0.0000679700000000, -0.0001734600000000 ] - [ 0.0003160900000000, -0.0002124100000000, 0.0002288700000000 ] - [ -0.0002038300000000, -0.0000786200000000, 0.0003637100000000 ] - [ 0.0004043100000000, 0.0008076800000000, -0.0028551600000000 ] - [ -0.0003513300000000, -0.0000304100000000, -0.0005246100000000 ] - [ 0.0001353900000000, 0.0000735500000000, 0.0000168000000000 ] - [ -0.0000271700000000, 0.0001519700000000, -0.0000528300000000 ] - [ -0.0004095600000000, -0.0000125400000000, 0.0001205600000000 ] - [ -0.0003527100000000, -0.0002736900000000, -0.0002177700000000 ] - [ -0.0007208600000000, -0.0004352800000000, -0.0002494900000000 ] - [ 0.0003069800000000, 0.0000035400000000, -0.0002008700000000 ] - [ 0.0001244500000000, 0.0000038800000000, 0.0001133900000000 ] - [ 0.0003559700000000, 0.0001108600000000, 0.0001811200000000 ] - [ 0.0001123900000000, 0.0001587600000000, 0.0000209600000000 ] - [ 0.0003403900000000, 0.0000953500000000, 0.0001786400000000 ] - [ -0.0000247300000000, 0.0001302700000000, -0.0000736000000000 ] - [ 0.0000161000000000, -0.0000952700000000, -0.0000869900000000 ] - [ 0.0003173600000000, 0.0003033400000000, -0.0006855800000000 ] - [ 0.0039154100000000, -0.0001334000000000, 0.0006742200000000 ] - [ 0.0000494500000000, 0.0000307600000000, 0.0005980500000000 ] - [ -0.0007369000000000, 0.0000273200000000, -0.0011712200000000 ] - [ 0.0001044300000000, 0.0000807200000000, -0.0000103600000000 ] - [ -0.0046700800000000, 0.0014804300000000, -0.0010981600000000 ] - [ 0.0000199700000000, -0.0000796800000000, -0.0000704800000000 ] - [ -0.0001821900000000, 0.0003056600000000, -0.0005125400000000 ] - [ 0.0000794900000000, 0.0001041100000000, 0.0000021700000000 ] - [ -0.0012780400000000, -0.0009757600000000, 0.0002843200000000 ] - [ 0.0000498500000000, 0.0000053500000000, 0.0001215700000000 ] - [ -0.0002156600000000, 0.0000775800000000, -0.0003448900000000 ] - [ 0.0000579800000000, 0.0000941400000000, -0.0001021000000000 ] - [ 0.0001109400000000, 0.0004366700000000, -0.0005912000000000 ] - [ -0.0000820500000000, -0.0000802800000000, -0.0000079500000000 ] - [ 0.0015768400000000, 0.0002537700000000, -0.0011666200000000 ] - [ -0.0000755800000000, -0.0000803600000000, 0.0000050700000000 ] - [ -0.0001088200000000, -0.0000564000000000, 0.0000196500000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002906200000000, -0.0000669200000000, -0.0005708700000000 ] - [ 0.0000693900000000, -0.0001494200000000, 0.0000903000000000 ] - [ 0.0046786400000000, -0.0030731300000000, 0.0008875400000000 ] - [ -0.0002375800000000, 0.0000213500000000, -0.0002000600000000 ] - [ 0.0000826600000000, -0.0002924900000000, 0.0001200600000000 ] - [ 0.0000693900000000, 0.0001494200000000, 0.0000903000000000 ] - [ -0.0000167700000000, 0.0003236800000000, -0.0001378500000000 ] - [ 0.0000940800000000, 0.0000707500000000, -0.0000845500000000 ] - [ 0.0003432400000000, -0.0001917100000000, 0.0000930200000000 ] - [ -0.0000968500000000, 0.0000000000000000, -0.0000453600000000 ] - [ -0.0001453700000000, 0.0000000000000000, 0.0001194700000000 ] - [ -0.0002906200000000, 0.0000669200000000, -0.0005708700000000 ] - [ -0.0000167700000000, -0.0003236800000000, -0.0001378500000000 ] - [ -0.0001683200000000, 0.0000000000000000, -0.0001237200000000 ] - [ -0.0001076800000000, 0.0000709000000000, -0.0001277800000000 ] - [ -0.0002375800000000, -0.0000213500000000, -0.0002000600000000 ] - [ 0.0000018900000000, -0.0006284700000000, -0.0000874600000000 ] - [ 0.0029930700000000, 0.0034610300000000, 0.0028348800000000 ] - [ 0.0000515000000000, -0.0000877700000000, 0.0002659400000000 ] - [ 0.0000515000000000, 0.0000877700000000, 0.0002659400000000 ] - [ 0.0046786400000000, 0.0030731300000000, 0.0008875400000000 ] - [ 0.0029930700000000, -0.0034610300000000, 0.0028348800000000 ] - [ 0.0003432400000000, 0.0001917100000000, 0.0000930200000000 ] - [ 0.0000826600000000, 0.0002924900000000, 0.0001200600000000 ] - [ 0.0000018900000000, 0.0006284700000000, -0.0000874600000000 ] - [ 0.0004936300000000, 0.0000000000000000, -0.0000711700000000 ] - [ 0.0000940800000000, -0.0000707500000000, -0.0000845500000000 ] - [ -0.0001076800000000, -0.0000709000000000, -0.0001277800000000 ] - [ -0.0001804200000000, -0.0000639400000000, -0.0000352100000000 ] - [ -0.0001804200000000, 0.0000639400000000, -0.0000352100000000 ] - [ 0.0000954300000000, 0.0000000000000000, 0.0000736000000000 ] - [ -0.0000436400000000, 0.0003704700000000, -0.0001205200000000 ] - [ 0.0000740800000000, 0.0000330600000000, 0.0002837100000000 ] - [ 0.0000567600000000, 0.0000000000000000, -0.0000758200000000 ] - [ -0.0013611400000000, 0.0000000000000000, -0.0001505900000000 ] - [ -0.0000241400000000, -0.0004619800000000, -0.0001356800000000 ] - [ -0.0000436400000000, -0.0003704700000000, -0.0001205200000000 ] - [ -0.0000241400000000, 0.0004619800000000, -0.0001356800000000 ] - [ 0.0241348100000000, 0.0000000000000000, -0.0339972300000000 ] - [ 0.0000740800000000, -0.0000330600000000, 0.0002837100000000 ] - [ 0.0005659700000000, 0.0004926500000000, -0.0001088300000000 ] - [ -0.0013263300000000, -0.0006251200000000, 0.0003444800000000 ] - [ 0.0003791800000000, 0.0001122600000000, -0.0001826700000000 ] - [ 0.0001692000000000, -0.0001965300000000, 0.0001028100000000 ] - [ 0.0000614600000000, -0.0002588900000000, 0.0000659400000000 ] - [ 0.0002298200000000, -0.0003396000000000, -0.0003523500000000 ] - [ -0.0001162000000000, -0.0000117900000000, -0.0000281000000000 ] - [ -0.0459865800000000, 0.0000000000000000, 0.0290880300000000 ] - [ 0.0000270400000000, 0.0005898800000000, 0.0002398700000000 ] - [ 0.0000121700000000, 0.0001381000000000, 0.0000574000000000 ] - [ 0.0004865700000000, 0.0000000000000000, -0.0026448200000000 ] - [ 0.0000121700000000, -0.0001381000000000, 0.0000574000000000 ] - [ -0.0000550100000000, 0.0000197300000000, -0.0000628200000000 ] - [ 0.0003791800000000, -0.0001122600000000, -0.0001826700000000 ] - [ -0.0001162000000000, 0.0000117900000000, -0.0000281000000000 ] - [ 0.0003304300000000, 0.0000000000000000, 0.0002109300000000 ] - [ 0.0029431300000000, 0.0000000000000000, -0.0027444900000000 ] - [ 0.0001499500000000, 0.0000000000000000, -0.0001281600000000 ] - [ 0.0003418900000000, -0.0001022800000000, 0.0001776300000000 ] - [ 0.0014477100000000, 0.0000000000000000, 0.0029160200000000 ] - [ 0.0000270400000000, -0.0005898800000000, 0.0002398700000000 ] - [ -0.0000698900000000, 0.0000007600000000, -0.0000009600000000 ] - [ 0.0002298200000000, 0.0003396000000000, -0.0003523500000000 ] - [ -0.0000871800000000, 0.0001434300000000, -0.0000144400000000 ] - [ -0.0013263300000000, 0.0006251200000000, 0.0003444800000000 ] - [ 0.0005659700000000, -0.0004926500000000, -0.0001088300000000 ] - [ 0.0008572100000000, 0.0001960700000000, 0.0000838100000000 ] - [ 0.0002887400000000, 0.0000000000000000, -0.0001993600000000 ] - [ 0.0001112400000000, 0.0000000000000000, 0.0001366900000000 ] - [ 0.0003418900000000, 0.0001022800000000, 0.0001776300000000 ] - [ 0.0000536900000000, 0.0003262900000000, -0.0003773600000000 ] - [ 0.0000060400000000, 0.0003546200000000, 0.0003502700000000 ] - [ -0.0000443800000000, -0.0000750000000000, -0.0000905800000000 ] - [ -0.0005493600000000, 0.0001283700000000, -0.0002090600000000 ] - [ 0.0001767600000000, 0.0000000000000000, 0.0001609400000000 ] - [ -0.0005493600000000, -0.0001283700000000, -0.0002090600000000 ] - [ 0.0000614600000000, 0.0002588900000000, 0.0000659400000000 ] - [ 0.0012553400000000, 0.0000000000000000, 0.0013670300000000 ] - [ 0.0000060400000000, -0.0003546200000000, 0.0003502700000000 ] - [ 0.0000536900000000, -0.0003262900000000, -0.0003773600000000 ] - [ -0.0000054500000000, -0.0000402500000000, -0.0000394500000000 ] - [ -0.0000443800000000, 0.0000750000000000, -0.0000905800000000 ] - [ 0.0008572100000000, -0.0001960700000000, 0.0000838100000000 ] - [ -0.0000054500000000, 0.0000402500000000, -0.0000394500000000 ] - [ 0.0000380900000000, 0.0000000000000000, 0.0001300900000000 ] - [ -0.0000550100000000, -0.0000197300000000, -0.0000628200000000 ] - [ 0.0000644100000000, 0.0000000000000000, -0.0001249400000000 ] - [ -0.0000949400000000, 0.0001031900000000, 0.0000203700000000 ] - [ -0.0000871800000000, -0.0001434300000000, -0.0000144400000000 ] - [ 0.0001692000000000, 0.0001965300000000, 0.0001028100000000 ] - [ -0.0000698900000000, -0.0000007600000000, -0.0000009600000000 ] - [ -0.0000949400000000, -0.0001031900000000, 0.0000203700000000 ]- atom: 48 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002304500000000, 0.0007057400000000, 0.0003141100000000 ] - [ 0.0001007500000000, -0.0000573800000000, 0.0000982200000000 ] - [ -0.0045906600000000, 0.0023340700000000, -0.0006051100000000 ] - [ 0.0000412000000000, -0.0000597900000000, -0.0001560300000000 ] - [ -0.0000284100000000, -0.0003146100000000, 0.0001582800000000 ] - [ 0.0001007500000000, 0.0000573800000000, 0.0000982200000000 ] - [ 0.0000704600000000, 0.0002833900000000, -0.0001409700000000 ] - [ 0.0000762000000000, 0.0001358800000000, -0.0001037800000000 ] - [ -0.0001445200000000, 0.0001598300000000, 0.0002637100000000 ] - [ 0.0003607500000000, 0.0000000000000000, -0.0002278100000000 ] - [ -0.0001644100000000, 0.0000000000000000, 0.0001221200000000 ] - [ 0.0002304500000000, -0.0007057400000000, 0.0003141100000000 ] - [ 0.0000704600000000, -0.0002833900000000, -0.0001409700000000 ] - [ -0.0001414200000000, 0.0000000000000000, -0.0001178500000000 ] - [ 0.0003044400000000, -0.0001108200000000, -0.0002297600000000 ] - [ 0.0000412000000000, 0.0000597900000000, -0.0001560300000000 ] - [ -0.0001847500000000, 0.0008260900000000, -0.0000849700000000 ] - [ -0.0032645100000000, -0.0038324900000000, -0.0027410500000000 ] - [ -0.0002470100000000, 0.0000479600000000, 0.0000921300000000 ] - [ -0.0002470100000000, -0.0000479600000000, 0.0000921300000000 ] - [ -0.0045906600000000, -0.0023340700000000, -0.0006051100000000 ] - [ -0.0032645100000000, 0.0038324900000000, -0.0027410500000000 ] - [ -0.0001445200000000, -0.0001598300000000, 0.0002637100000000 ] - [ -0.0000284100000000, 0.0003146100000000, 0.0001582800000000 ] - [ -0.0001847500000000, -0.0008260900000000, -0.0000849700000000 ] - [ -0.0001978000000000, 0.0000000000000000, 0.0003056700000000 ] - [ 0.0000762000000000, -0.0001358800000000, -0.0001037800000000 ] - [ 0.0003044400000000, 0.0001108200000000, -0.0002297600000000 ] - [ 0.0001491300000000, 0.0005492000000000, 0.0002929400000000 ] - [ 0.0001491300000000, -0.0005492000000000, 0.0002929400000000 ] - [ 0.0000546500000000, 0.0000000000000000, 0.0000759900000000 ] - [ 0.0000686200000000, 0.0001158300000000, -0.0001363400000000 ] - [ -0.0000486600000000, 0.0004528500000000, -0.0000276900000000 ] - [ 0.0000927700000000, 0.0000000000000000, -0.0000735800000000 ] - [ 0.0012018400000000, 0.0000000000000000, 0.0000108300000000 ] - [ -0.0000021400000000, -0.0000223700000000, -0.0001208700000000 ] - [ 0.0000686200000000, -0.0001158300000000, -0.0001363400000000 ] - [ -0.0000021400000000, 0.0000223700000000, -0.0001208700000000 ] - [ -0.0240819800000000, 0.0000000000000000, 0.0334155300000000 ] - [ -0.0000486600000000, -0.0004528500000000, -0.0000276900000000 ] - [ -0.0012702000000000, -0.0002722800000000, -0.0002531100000000 ] - [ 0.0006050800000000, 0.0008781300000000, -0.0000143000000000 ] - [ 0.0003370000000000, 0.0001071400000000, -0.0001828700000000 ] - [ -0.0001183700000000, 0.0000024700000000, 0.0000592100000000 ] - [ -0.0000283300000000, 0.0000442900000000, 0.0000810200000000 ] - [ -0.0000190300000000, 0.0001951300000000, 0.0003970200000000 ] - [ -0.0000992200000000, -0.0001282100000000, -0.0000158700000000 ] - [ 0.0455633900000000, 0.0000000000000000, -0.0278099600000000 ] - [ -0.0000602900000000, -0.0003772000000000, -0.0000948200000000 ] - [ -0.0000582100000000, 0.0000586500000000, 0.0001047300000000 ] - [ -0.0009935400000000, 0.0000000000000000, 0.0021786400000000 ] - [ -0.0000582100000000, -0.0000586500000000, 0.0001047300000000 ] - [ 0.0000090900000000, 0.0001752000000000, -0.0000993600000000 ] - [ 0.0003370000000000, -0.0001071400000000, -0.0001828700000000 ] - [ -0.0000992200000000, 0.0001282100000000, -0.0000158700000000 ] - [ 0.0002884700000000, 0.0000000000000000, 0.0002020800000000 ] - [ -0.0031916900000000, 0.0000000000000000, 0.0024791700000000 ] - [ 0.0001111700000000, 0.0000000000000000, -0.0001365600000000 ] - [ 0.0003740500000000, -0.0001167900000000, 0.0001879000000000 ] - [ -0.0017117200000000, 0.0000000000000000, -0.0026410400000000 ] - [ -0.0000602900000000, 0.0003772000000000, -0.0000948200000000 ] - [ -0.0000852200000000, 0.0001960700000000, 0.0000170000000000 ] - [ -0.0000190300000000, -0.0001951300000000, 0.0003970200000000 ] - [ -0.0000677500000000, 0.0000535000000000, -0.0000015300000000 ] - [ 0.0006050800000000, -0.0008781300000000, -0.0000143000000000 ] - [ -0.0012702000000000, 0.0002722800000000, -0.0002531100000000 ] - [ -0.0007000500000000, -0.0003988800000000, -0.0000674700000000 ] - [ 0.0003301900000000, 0.0000000000000000, -0.0002137000000000 ] - [ 0.0001498700000000, 0.0000000000000000, 0.0001281000000000 ] - [ 0.0003740500000000, 0.0001167900000000, 0.0001879000000000 ] - [ 0.0000996900000000, -0.0001258800000000, 0.0003529300000000 ] - [ 0.0002111600000000, -0.0004912700000000, -0.0003925900000000 ] - [ 0.0000124200000000, 0.0002880200000000, -0.0000563300000000 ] - [ 0.0005926000000000, -0.0003144900000000, 0.0000443800000000 ] - [ -0.0002675400000000, 0.0000000000000000, -0.0004398900000000 ] - [ 0.0005926000000000, 0.0003144900000000, 0.0000443800000000 ] - [ -0.0000283300000000, -0.0000442900000000, 0.0000810200000000 ] - [ -0.0018733900000000, 0.0000000000000000, -0.0009621200000000 ] - [ 0.0002111600000000, 0.0004912700000000, -0.0003925900000000 ] - [ 0.0000996900000000, 0.0001258800000000, 0.0003529300000000 ] - [ 0.0000373200000000, -0.0001744600000000, -0.0001080200000000 ] - [ 0.0000124200000000, -0.0002880200000000, -0.0000563300000000 ] - [ -0.0007000500000000, 0.0003988800000000, -0.0000674700000000 ] - [ 0.0000373200000000, 0.0001744600000000, -0.0001080200000000 ] - [ 0.0000661200000000, 0.0000000000000000, 0.0001248600000000 ] - [ 0.0000090900000000, -0.0001752000000000, -0.0000993600000000 ] - [ 0.0000399400000000, 0.0000000000000000, -0.0001302900000000 ] - [ -0.0001201800000000, 0.0000376700000000, 0.0000241600000000 ] - [ -0.0000677500000000, -0.0000535000000000, -0.0000015300000000 ] - [ -0.0001183700000000, -0.0000024700000000, 0.0000592100000000 ] - [ -0.0000852200000000, -0.0001960700000000, 0.0000170000000000 ] - [ -0.0001201800000000, -0.0000376700000000, 0.0000241600000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001436800000000, 0.0011848300000000, -0.0003832400000000 ] - [ 0.0000540900000000, -0.0005939000000000, 0.0001125000000000 ] - [ -0.0014797700000000, 0.0039325700000000, 0.0004668100000000 ] - [ 0.0000686100000000, -0.0004488000000000, -0.0002541500000000 ] - [ 0.0000105600000000, -0.0008945000000000, 0.0001419400000000 ] - [ 0.0001171600000000, -0.0003876900000000, 0.0000767200000000 ] - [ 0.0000012200000000, -0.0001946600000000, -0.0001240100000000 ] - [ 0.0000617200000000, -0.0004869700000000, -0.0000892900000000 ] - [ 0.0001553700000000, -0.0006675000000000, 0.0001110700000000 ] - [ 0.0001600900000000, 0.0010778100000000, -0.0001162100000000 ] - [ -0.0001546000000000, -0.0004948100000000, 0.0001209800000000 ] - [ -0.0001995200000000, 0.0005852500000000, 0.0000982900000000 ] - [ 0.0000528000000000, -0.0008014300000000, -0.0001550600000000 ] - [ -0.0001544700000000, -0.0005263200000000, -0.0001209700000000 ] - [ -0.0000064800000000, -0.0000779700000000, -0.0003440000000000 ] - [ -0.0002656900000000, -0.0004080700000000, -0.0001025900000000 ] - [ -0.0009285500000000, 0.0007646900000000, 0.0000030500000000 ] - [ 0.0030536100000000, 0.0061895800000000, 0.0029044600000000 ] - [ -0.0004054100000000, -0.0007078700000000, 0.0001215400000000 ] - [ 0.0002073300000000, -0.0006659100000000, 0.0002343200000000 ] - [ 0.0015528300000000, 0.0046517300000000, -0.0001574000000000 ] - [ -0.0033910700000000, 0.0065333300000000, -0.0028065700000000 ] - [ 0.0000421700000000, -0.0006201800000000, 0.0002479400000000 ] - [ 0.0000434300000000, -0.0002877700000000, 0.0001372600000000 ] - [ 0.0007616600000000, 0.0005509800000000, -0.0001988100000000 ] - [ 0.0001491500000000, 0.0017990800000000, 0.0000939700000000 ] - [ 0.0001092600000000, -0.0006933500000000, -0.0001003300000000 ] - [ 0.0002036000000000, -0.0000371300000000, -0.0000125600000000 ] - [ -0.0004248200000000, -0.0000364800000000, 0.0000863900000000 ] - [ 0.0003995100000000, -0.0005210800000000, 0.0001690600000000 ] - [ 0.0000755800000000, -0.0005867400000000, 0.0000745100000000 ] - [ 0.0000586000000000, -0.0002479900000000, -0.0000757900000000 ] - [ -0.0000735600000000, -0.0003225600000000, 0.0001548000000000 ] - [ 0.0000754100000000, -0.0005532000000000, -0.0000743600000000 ] - [ -0.0000758000000000, 0.0011258400000000, -0.0000737200000000 ] - [ -0.0004188200000000, -0.0011764100000000, 0.0005876500000000 ] - [ -0.0000328700000000, -0.0007335500000000, -0.0001819400000000 ] - [ 0.0003937700000000, -0.0006846000000000, -0.0008555700000000 ] - [ -0.0001559000000000, 0.0074849500000000, 0.0001802300000000 ] - [ 0.0000999300000000, -0.0008086400000000, 0.0001021200000000 ] - [ -0.0010803100000000, -0.0008217000000000, -0.0002806000000000 ] - [ 0.0013639600000000, -0.0002233500000000, -0.0035647700000000 ] - [ 0.0003456200000000, 0.0005685300000000, -0.0001986100000000 ] - [ -0.0000871400000000, -0.0001439300000000, 0.0000000200000000 ] - [ -0.0000707800000000, 0.0001576500000000, 0.0000986000000000 ] - [ -0.0004064200000000, 0.0002256300000000, 0.0002923800000000 ] - [ 0.0000347100000000, 0.0004264000000000, 0.0000714000000000 ] - [ 0.0001037500000000, -0.0294406100000000, 0.0001210000000000 ] - [ 0.0001004000000000, 0.0007850000000000, 0.0002105100000000 ] - [ 0.0000201500000000, 0.0003424600000000, 0.0001014200000000 ] - [ -0.0003303700000000, -0.0017878100000000, -0.0001970300000000 ] - [ -0.0000650900000000, 0.0001457800000000, 0.0000587000000000 ] - [ -0.0000873300000000, 0.0003871100000000, -0.0001317600000000 ] - [ 0.0003696900000000, 0.0003506300000000, -0.0001670300000000 ] - [ -0.0002521800000000, 0.0005676400000000, -0.0001172900000000 ] - [ 0.0003104100000000, 0.0003242800000000, 0.0002066000000000 ] - [ -0.0001468100000000, -0.0009440800000000, -0.0001297400000000 ] - [ 0.0001309200000000, 0.0004311400000000, -0.0001323600000000 ] - [ 0.0003857600000000, 0.0003905600000000, 0.0001753500000000 ] - [ -0.0001331600000000, -0.0020770000000000, 0.0001296400000000 ] - [ -0.0001325500000000, 0.0005738900000000, -0.0000637100000000 ] - [ -0.0000992700000000, 0.0005874300000000, 0.0000014900000000 ] - [ 0.0006243500000000, 0.0003662500000000, -0.0002436700000000 ] - [ -0.0000281600000000, 0.0005185800000000, 0.0000194100000000 ] - [ -0.0020846600000000, -0.0004392000000000, 0.0039090100000000 ] - [ 0.0003551500000000, -0.0010346700000000, -0.0000866300000000 ] - [ 0.0011688700000000, -0.0002610600000000, 0.0000151400000000 ] - [ 0.0003105500000000, 0.0003716600000000, -0.0002066600000000 ] - [ 0.0001309900000000, 0.0005183600000000, 0.0001323300000000 ] - [ 0.0003295400000000, 0.0006082500000000, 0.0001903600000000 ] - [ 0.0003137400000000, 0.0005486400000000, -0.0002334100000000 ] - [ 0.0003624000000000, 0.0001797000000000, 0.0002849900000000 ] - [ -0.0001660600000000, 0.0004954500000000, 0.0000454000000000 ] - [ -0.0000498400000000, 0.0014705900000000, -0.0002023900000000 ] - [ -0.0000539500000000, -0.0006736300000000, -0.0001232700000000 ] - [ 0.0000965200000000, 0.0016836500000000, 0.0000452900000000 ] - [ 0.0001031100000000, 0.0003696800000000, 0.0000499000000000 ] - [ -0.0003075700000000, -0.0010591700000000, 0.0002091000000000 ] - [ -0.0001462800000000, 0.0003204100000000, -0.0003258500000000 ] - [ -0.0001530600000000, 0.0003426000000000, 0.0002211200000000 ] - [ 0.0000199400000000, 0.0005066700000000, -0.0002581000000000 ] - [ 0.0001330900000000, 0.0002823400000000, -0.0001936800000000 ] - [ -0.0010067600000000, -0.0000667400000000, 0.0000009500000000 ] - [ 0.0000126000000000, 0.0007182200000000, 0.0001111700000000 ] - [ 0.0000517800000000, 0.0003624000000000, 0.0001265600000000 ] - [ 0.0000421800000000, 0.0001902600000000, -0.0000285200000000 ] - [ 0.0000517800000000, 0.0003589000000000, -0.0001267100000000 ] - [ -0.0001366600000000, 0.0003276500000000, 0.0000282700000000 ] - [ -0.0001262300000000, 0.0003229300000000, -0.0000359800000000 ] - [ 0.0001308200000000, 0.0000525100000000, 0.0001605400000000 ] - [ -0.0000554600000000, 0.0003912700000000, 0.0000150600000000 ] - [ -0.0000805300000000, 0.0001872800000000, 0.0000169500000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001397400000000, 0.0000011200000000, -0.0002723500000000 ] - [ 0.0000847300000000, -0.0001149100000000, 0.0000872300000000 ] - [ -0.0009726000000000, 0.0011239700000000, 0.0007511100000000 ] - [ -0.0001415000000000, -0.0000047700000000, -0.0001546100000000 ] - [ 0.0000374300000000, -0.0003015100000000, 0.0001480700000000 ] - [ 0.0000847300000000, 0.0001149100000000, 0.0000872300000000 ] - [ 0.0000195000000000, 0.0003102400000000, -0.0001307300000000 ] - [ 0.0000848000000000, 0.0000919200000000, -0.0001064300000000 ] - [ -0.0000620200000000, -0.0008235100000000, 0.0001401600000000 ] - [ -0.0000016600000000, 0.0000000000000000, 0.0003383300000000 ] - [ -0.0001533200000000, 0.0000000000000000, 0.0001182900000000 ] - [ -0.0001397400000000, -0.0000011200000000, -0.0002723500000000 ] - [ 0.0000195000000000, -0.0003102400000000, -0.0001307300000000 ] - [ -0.0001584000000000, 0.0000000000000000, -0.0001217400000000 ] - [ 0.0000155300000000, 0.0000307900000000, -0.0001863200000000 ] - [ -0.0001415000000000, 0.0000047700000000, -0.0001546100000000 ] - [ 0.0008222300000000, -0.0003627700000000, -0.0006446200000000 ] - [ 0.0026911400000000, 0.0030595200000000, 0.0029412600000000 ] - [ -0.0000821300000000, -0.0000422400000000, 0.0001563700000000 ] - [ -0.0000821300000000, 0.0000422400000000, 0.0001563700000000 ] - [ -0.0009726000000000, -0.0011239700000000, 0.0007511100000000 ] - [ 0.0026911400000000, -0.0030595200000000, 0.0029412600000000 ] - [ -0.0000620200000000, 0.0008235100000000, 0.0001401600000000 ] - [ 0.0000374300000000, 0.0003015100000000, 0.0001480700000000 ] - [ 0.0008222300000000, 0.0003627700000000, -0.0006446200000000 ] - [ 0.0010268300000000, 0.0000000000000000, 0.0096089200000000 ] - [ 0.0000848000000000, -0.0000919200000000, -0.0001064300000000 ] - [ 0.0000155300000000, -0.0000307900000000, -0.0001863200000000 ] - [ 0.0000888000000000, 0.0000437900000000, -0.0000095600000000 ] - [ 0.0000888000000000, -0.0000437900000000, -0.0000095600000000 ] - [ 0.0000753400000000, 0.0000000000000000, 0.0000804000000000 ] - [ -0.0000145200000000, 0.0002528100000000, -0.0001631400000000 ] - [ 0.0000289900000000, 0.0002438800000000, 0.0001716000000000 ] - [ 0.0000716800000000, 0.0000000000000000, -0.0000714700000000 ] - [ -0.0005166400000000, 0.0000000000000000, -0.0003225400000000 ] - [ 0.0003954000000000, -0.0003878200000000, -0.0001877100000000 ] - [ -0.0000145200000000, -0.0002528100000000, -0.0001631400000000 ] - [ 0.0003954000000000, 0.0003878200000000, -0.0001877100000000 ] - [ -0.0290638300000000, 0.0000000000000000, 0.0539627700000000 ] - [ 0.0000289900000000, -0.0002438800000000, 0.0001716000000000 ] - [ -0.0003027400000000, 0.0002515700000000, -0.0000582700000000 ] - [ -0.0028553400000000, -0.0019663100000000, 0.0040995500000000 ] - [ 0.0003630700000000, 0.0001054100000000, -0.0001808500000000 ] - [ 0.0000329000000000, -0.0001317700000000, 0.0001260900000000 ] - [ 0.0000163500000000, -0.0001818100000000, 0.0000761000000000 ] - [ 0.0003808000000000, -0.0003075700000000, 0.0001063400000000 ] - [ -0.0001114100000000, -0.0001060600000000, -0.0000468000000000 ] - [ 0.0277219500000000, 0.0000000000000000, -0.0861693300000000 ] - [ 0.0000044400000000, 0.0001715700000000, 0.0001257300000000 ] - [ -0.0000291300000000, 0.0000926000000000, 0.0001026700000000 ] - [ -0.0001871900000000, 0.0000000000000000, -0.0013928300000000 ] - [ -0.0000291300000000, -0.0000926000000000, 0.0001026700000000 ] - [ -0.0000496600000000, 0.0000751000000000, -0.0000738000000000 ] - [ 0.0003630700000000, -0.0001054100000000, -0.0001808500000000 ] - [ -0.0001114100000000, 0.0001060600000000, -0.0000468000000000 ] - [ 0.0003119300000000, 0.0000000000000000, 0.0002057200000000 ] - [ -0.0044691300000000, 0.0000000000000000, 0.0016665700000000 ] - [ 0.0001337300000000, 0.0000000000000000, -0.0001304900000000 ] - [ 0.0003551400000000, -0.0001131700000000, 0.0001780700000000 ] - [ 0.0030025300000000, 0.0000000000000000, 0.0030277200000000 ] - [ 0.0000044400000000, -0.0001715700000000, 0.0001257300000000 ] - [ -0.0000747200000000, 0.0000781700000000, -0.0000067300000000 ] - [ 0.0003808000000000, 0.0003075700000000, 0.0001063400000000 ] - [ -0.0000778900000000, 0.0000943600000000, -0.0000084200000000 ] - [ -0.0028553400000000, 0.0019663100000000, 0.0040995500000000 ] - [ -0.0003027400000000, -0.0002515700000000, -0.0000582700000000 ] - [ 0.0007461000000000, 0.0002204100000000, 0.0000927300000000 ] - [ 0.0003076800000000, 0.0000000000000000, -0.0002067500000000 ] - [ 0.0001278500000000, 0.0000000000000000, 0.0001326100000000 ] - [ 0.0003551400000000, 0.0001131700000000, 0.0001780700000000 ] - [ -0.0001241100000000, -0.0001503800000000, 0.0014840400000000 ] - [ -0.0001190400000000, 0.0000457400000000, 0.0005348800000000 ] - [ -0.0000651600000000, 0.0000987500000000, -0.0000871400000000 ] - [ -0.0001983800000000, -0.0004813300000000, -0.0001374800000000 ] - [ -0.0003565500000000, 0.0000000000000000, 0.0003967100000000 ] - [ -0.0001983800000000, 0.0004813300000000, -0.0001374800000000 ] - [ 0.0000163500000000, 0.0001818100000000, 0.0000761000000000 ] - [ 0.0007024900000000, 0.0000000000000000, 0.0012911700000000 ] - [ -0.0001190400000000, -0.0000457400000000, 0.0005348800000000 ] - [ -0.0001241100000000, 0.0001503800000000, 0.0014840400000000 ] - [ 0.0000271600000000, -0.0000565200000000, -0.0001015300000000 ] - [ -0.0000651600000000, -0.0000987500000000, -0.0000871400000000 ] - [ 0.0007461000000000, -0.0002204100000000, 0.0000927300000000 ] - [ 0.0000271600000000, 0.0000565200000000, -0.0001015300000000 ] - [ 0.0000492900000000, 0.0000000000000000, 0.0001264000000000 ] - [ -0.0000496600000000, -0.0000751000000000, -0.0000738000000000 ] - [ 0.0000545800000000, 0.0000000000000000, -0.0001261000000000 ] - [ -0.0001139700000000, 0.0000773400000000, 0.0000273300000000 ] - [ -0.0000778900000000, -0.0000943600000000, -0.0000084200000000 ] - [ 0.0000329000000000, 0.0001317700000000, 0.0001260900000000 ] - [ -0.0000747200000000, -0.0000781700000000, -0.0000067300000000 ] - [ -0.0001139700000000, -0.0000773400000000, 0.0000273300000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000858800000000, 0.0006030100000000, -0.0000040900000000 ] - [ 0.0000859200000000, -0.0000922300000000, 0.0001004000000000 ] - [ 0.0009173500000000, -0.0017304800000000, -0.0004647700000000 ] - [ -0.0000551200000000, -0.0000346900000000, -0.0002026500000000 ] - [ 0.0000169400000000, -0.0003059900000000, 0.0001293200000000 ] - [ 0.0000859200000000, 0.0000922300000000, 0.0001004000000000 ] - [ 0.0000344000000000, 0.0002973700000000, -0.0001469100000000 ] - [ 0.0000856500000000, 0.0001153100000000, -0.0000809900000000 ] - [ 0.0002598000000000, 0.0007923200000000, 0.0002140000000000 ] - [ 0.0003095000000000, 0.0000000000000000, -0.0005743400000000 ] - [ -0.0001561100000000, 0.0000000000000000, 0.0001236600000000 ] - [ 0.0000858800000000, -0.0006030100000000, -0.0000040900000000 ] - [ 0.0000344000000000, -0.0002973700000000, -0.0001469100000000 ] - [ -0.0001511200000000, 0.0000000000000000, -0.0001201200000000 ] - [ 0.0001801300000000, -0.0000713500000000, -0.0001708800000000 ] - [ -0.0000551200000000, 0.0000346900000000, -0.0002026500000000 ] - [ -0.0010007100000000, 0.0005710500000000, 0.0004539300000000 ] - [ -0.0029002000000000, -0.0033084400000000, -0.0027468400000000 ] - [ -0.0001133500000000, 0.0000031800000000, 0.0002014500000000 ] - [ -0.0001133500000000, -0.0000031800000000, 0.0002014500000000 ] - [ 0.0009173500000000, 0.0017304800000000, -0.0004647700000000 ] - [ -0.0029002000000000, 0.0033084400000000, -0.0027468400000000 ] - [ 0.0002598000000000, -0.0007923200000000, 0.0002140000000000 ] - [ 0.0000169400000000, 0.0003059900000000, 0.0001293200000000 ] - [ -0.0010007100000000, -0.0005710500000000, 0.0004539300000000 ] - [ -0.0007223700000000, 0.0000000000000000, -0.0088466100000000 ] - [ 0.0000856500000000, -0.0001153100000000, -0.0000809900000000 ] - [ 0.0001801300000000, 0.0000713500000000, -0.0001708800000000 ] - [ -0.0001165700000000, 0.0004425600000000, 0.0002669900000000 ] - [ -0.0001165700000000, -0.0004425600000000, 0.0002669900000000 ] - [ 0.0000751800000000, 0.0000000000000000, 0.0000691100000000 ] - [ 0.0000406500000000, 0.0002331600000000, -0.0000939100000000 ] - [ -0.0000030000000000, 0.0002413400000000, 0.0000870900000000 ] - [ 0.0000783800000000, 0.0000000000000000, -0.0000777500000000 ] - [ 0.0003734000000000, 0.0000000000000000, 0.0001669600000000 ] - [ -0.0004205900000000, -0.0000957300000000, -0.0000614000000000 ] - [ 0.0000406500000000, -0.0002331600000000, -0.0000939100000000 ] - [ -0.0004205900000000, 0.0000957300000000, -0.0000614000000000 ] - [ 0.0303593000000000, 0.0000000000000000, -0.0556902900000000 ] - [ -0.0000030000000000, -0.0002413400000000, 0.0000870900000000 ] - [ -0.0004129700000000, -0.0000306500000000, -0.0003051700000000 ] - [ 0.0021656200000000, 0.0022611500000000, -0.0037839500000000 ] - [ 0.0003531100000000, 0.0001135400000000, -0.0001847900000000 ] - [ 0.0000136300000000, -0.0000648600000000, 0.0000357300000000 ] - [ 0.0000168300000000, -0.0000332600000000, 0.0000707800000000 ] - [ -0.0001658200000000, 0.0001654000000000, -0.0000649200000000 ] - [ -0.0001042300000000, -0.0000338700000000, 0.0000030000000000 ] - [ -0.0291912300000000, 0.0000000000000000, 0.0878210400000000 ] - [ -0.0000370200000000, 0.0000461200000000, 0.0000231700000000 ] - [ -0.0000166900000000, 0.0001035900000000, 0.0000592600000000 ] - [ -0.0004357700000000, 0.0000000000000000, 0.0009949000000000 ] - [ -0.0000166900000000, -0.0001035900000000, 0.0000592600000000 ] - [ 0.0000042100000000, 0.0001206700000000, -0.0000883900000000 ] - [ 0.0003531100000000, -0.0001135400000000, -0.0001847900000000 ] - [ -0.0001042300000000, 0.0000338700000000, 0.0000030000000000 ] - [ 0.0003077600000000, 0.0000000000000000, 0.0002074200000000 ] - [ 0.0041636200000000, 0.0000000000000000, -0.0019408300000000 ] - [ 0.0001278900000000, 0.0000000000000000, -0.0001340700000000 ] - [ 0.0003609500000000, -0.0001055400000000, 0.0001877000000000 ] - [ -0.0032355800000000, 0.0000000000000000, -0.0027568800000000 ] - [ -0.0000370200000000, -0.0000461200000000, 0.0000231700000000 ] - [ -0.0000800000000000, 0.0001175000000000, 0.0000227500000000 ] - [ -0.0001658200000000, -0.0001654000000000, -0.0000649200000000 ] - [ -0.0000768900000000, 0.0001021400000000, -0.0000075600000000 ] - [ 0.0021656200000000, -0.0022611500000000, -0.0037839500000000 ] - [ -0.0004129700000000, 0.0000306500000000, -0.0003051700000000 ] - [ -0.0005938500000000, -0.0004169100000000, -0.0000765100000000 ] - [ 0.0003120700000000, 0.0000000000000000, -0.0002062500000000 ] - [ 0.0001337700000000, 0.0000000000000000, 0.0001318600000000 ] - [ 0.0003609500000000, 0.0001055400000000, 0.0001877000000000 ] - [ 0.0002772700000000, 0.0003400500000000, -0.0014910400000000 ] - [ 0.0003367400000000, -0.0001878300000000, -0.0005820000000000 ] - [ 0.0000332300000000, 0.0001150800000000, -0.0000595200000000 ] - [ 0.0002429700000000, 0.0002924300000000, -0.0000286800000000 ] - [ 0.0002438100000000, 0.0000000000000000, -0.0006512200000000 ] - [ 0.0002429700000000, -0.0002924300000000, -0.0000286800000000 ] - [ 0.0000168300000000, 0.0000332600000000, 0.0000707800000000 ] - [ -0.0013330800000000, 0.0000000000000000, -0.0008785900000000 ] - [ 0.0003367400000000, 0.0001878300000000, -0.0005820000000000 ] - [ 0.0002772700000000, -0.0003400500000000, -0.0014910400000000 ] - [ 0.0000052900000000, -0.0001592100000000, -0.0000467400000000 ] - [ 0.0000332300000000, -0.0001150800000000, -0.0000595200000000 ] - [ -0.0005938500000000, 0.0004169100000000, -0.0000765100000000 ] - [ 0.0000052900000000, 0.0001592100000000, -0.0000467400000000 ] - [ 0.0000547800000000, 0.0000000000000000, 0.0001280900000000 ] - [ 0.0000042100000000, -0.0001206700000000, -0.0000883900000000 ] - [ 0.0000495900000000, 0.0000000000000000, -0.0001285900000000 ] - [ -0.0001014400000000, 0.0000635100000000, 0.0000173900000000 ] - [ -0.0000768900000000, -0.0001021400000000, -0.0000075600000000 ] - [ 0.0000136300000000, 0.0000648600000000, 0.0000357300000000 ] - [ -0.0000800000000000, -0.0001175000000000, 0.0000227500000000 ] - [ -0.0001014400000000, -0.0000635100000000, 0.0000173900000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008840700000000, 0.0002848700000000, 0.0004145800000000 ] - [ 0.0001141100000000, -0.0001647700000000, 0.0000622400000000 ] - [ 0.0037979500000000, 0.0016013800000000, -0.0017484800000000 ] - [ -0.0003384800000000, -0.0000404400000000, -0.0001150700000000 ] - [ 0.0000651400000000, -0.0002612200000000, 0.0001645700000000 ] - [ 0.0001141100000000, 0.0001647700000000, 0.0000622400000000 ] - [ -0.0000200800000000, 0.0003437200000000, -0.0001167400000000 ] - [ 0.0000602500000000, 0.0000319600000000, -0.0001275100000000 ] - [ 0.0003588400000000, -0.0009837600000000, 0.0000714900000000 ] - [ 0.0033083600000000, 0.0000000000000000, 0.0052313700000000 ] - [ -0.0001282500000000, 0.0000000000000000, 0.0001152500000000 ] - [ -0.0008840700000000, -0.0002848700000000, 0.0004145800000000 ] - [ -0.0000200800000000, -0.0003437200000000, -0.0001167400000000 ] - [ -0.0001800700000000, 0.0000000000000000, -0.0001289500000000 ] - [ -0.0000595400000000, 0.0005659900000000, -0.0002729200000000 ] - [ -0.0003384800000000, 0.0000404400000000, -0.0001150700000000 ] - [ 0.0016491600000000, -0.0013277200000000, 0.0011679100000000 ] - [ -0.0015302900000000, -0.0006281400000000, -0.0003200000000000 ] - [ 0.0001578300000000, 0.0000192400000000, 0.0002245700000000 ] - [ 0.0001578300000000, -0.0000192400000000, 0.0002245700000000 ] - [ 0.0037979500000000, -0.0016013800000000, -0.0017484800000000 ] - [ -0.0015302900000000, 0.0006281400000000, -0.0003200000000000 ] - [ 0.0003588400000000, 0.0009837600000000, 0.0000714900000000 ] - [ 0.0000651400000000, 0.0002612200000000, 0.0001645700000000 ] - [ 0.0016491600000000, 0.0013277200000000, 0.0011679100000000 ] - [ 0.0001565200000000, 0.0000000000000000, 0.0001480100000000 ] - [ 0.0000602500000000, -0.0000319600000000, -0.0001275100000000 ] - [ -0.0000595400000000, -0.0005659900000000, -0.0002729200000000 ] - [ 0.0005431000000000, -0.0002984700000000, -0.0003130800000000 ] - [ 0.0005431000000000, 0.0002984700000000, -0.0003130800000000 ] - [ 0.0000858600000000, 0.0000000000000000, 0.0000884200000000 ] - [ -0.0000094200000000, 0.0002988500000000, -0.0000841900000000 ] - [ 0.0000169000000000, 0.0002306000000000, 0.0000759100000000 ] - [ 0.0000633600000000, 0.0000000000000000, -0.0000571600000000 ] - [ -0.0026244700000000, 0.0000000000000000, 0.0006796900000000 ] - [ -0.0004086900000000, -0.0013011600000000, -0.0004974000000000 ] - [ -0.0000094200000000, -0.0002988500000000, -0.0000841900000000 ] - [ -0.0004086900000000, 0.0013011600000000, -0.0004974000000000 ] - [ 0.0651070200000000, 0.0000000000000000, 0.0122505700000000 ] - [ 0.0000169000000000, -0.0002306000000000, 0.0000759100000000 ] - [ 0.0032487000000000, 0.0019743500000000, -0.0004394300000000 ] - [ 0.0017002900000000, -0.0016445700000000, 0.0007253300000000 ] - [ 0.0003820500000000, 0.0000949900000000, -0.0001894100000000 ] - [ 0.0001274200000000, -0.0002837900000000, 0.0001719800000000 ] - [ -0.0000414200000000, -0.0004419500000000, 0.0000943000000000 ] - [ 0.0006538200000000, -0.0003429200000000, 0.0003224500000000 ] - [ -0.0000530400000000, -0.0000077800000000, -0.0000127900000000 ] - [ 0.0006547700000000, 0.0000000000000000, 0.0002750100000000 ] - [ 0.0001640900000000, 0.0000976500000000, 0.0000993900000000 ] - [ 0.0000510200000000, 0.0001046700000000, 0.0000856900000000 ] - [ -0.0915935300000000, 0.0000000000000000, -0.0173543500000000 ] - [ 0.0000510200000000, -0.0001046700000000, 0.0000856900000000 ] - [ -0.0001117700000000, 0.0001201800000000, -0.0000875100000000 ] - [ 0.0003820500000000, -0.0000949900000000, -0.0001894100000000 ] - [ -0.0000530400000000, 0.0000077800000000, -0.0000127900000000 ] - [ 0.0003218700000000, 0.0000000000000000, 0.0002064100000000 ] - [ 0.0045614000000000, 0.0000000000000000, -0.0011992500000000 ] - [ 0.0001398600000000, 0.0000000000000000, -0.0001296200000000 ] - [ 0.0003314200000000, -0.0001223300000000, 0.0001786400000000 ] - [ -0.0014833600000000, 0.0000000000000000, 0.0001730800000000 ] - [ 0.0001640900000000, -0.0000976500000000, 0.0000993900000000 ] - [ -0.0000497900000000, 0.0000917800000000, -0.0000139500000000 ] - [ 0.0006538200000000, 0.0003429200000000, 0.0003224500000000 ] - [ -0.0000936400000000, 0.0001379700000000, -0.0000361400000000 ] - [ 0.0017002900000000, 0.0016445700000000, 0.0007253300000000 ] - [ 0.0032487000000000, -0.0019743500000000, -0.0004394300000000 ] - [ -0.0000206800000000, 0.0010472400000000, 0.0004865900000000 ] - [ 0.0003024500000000, 0.0000000000000000, -0.0002084800000000 ] - [ 0.0001216100000000, 0.0000000000000000, 0.0001352800000000 ] - [ 0.0003314200000000, 0.0001223300000000, 0.0001786400000000 ] - [ 0.0004532800000000, 0.0014793800000000, 0.0009061500000000 ] - [ -0.0004790000000000, 0.0001907200000000, -0.0004485600000000 ] - [ -0.0001963600000000, -0.0000264600000000, -0.0000773900000000 ] - [ 0.0000302300000000, 0.0001490000000000, 0.0001850700000000 ] - [ 0.0015156400000000, 0.0000000000000000, -0.0011461500000000 ] - [ 0.0000302300000000, -0.0001490000000000, 0.0001850700000000 ] - [ -0.0000414200000000, 0.0004419500000000, 0.0000943000000000 ] - [ 0.0004793500000000, 0.0000000000000000, -0.0000415100000000 ] - [ -0.0004790000000000, -0.0001907200000000, -0.0004485600000000 ] - [ 0.0004532800000000, -0.0014793800000000, 0.0009061500000000 ] - [ 0.0000836600000000, 0.0002121400000000, -0.0000760300000000 ] - [ -0.0001963600000000, 0.0000264600000000, -0.0000773900000000 ] - [ -0.0000206800000000, -0.0010472400000000, 0.0004865900000000 ] - [ 0.0000836600000000, -0.0002121400000000, -0.0000760300000000 ] - [ 0.0000311300000000, 0.0000000000000000, 0.0001294500000000 ] - [ -0.0001117700000000, -0.0001201800000000, -0.0000875100000000 ] - [ 0.0000728600000000, 0.0000000000000000, -0.0001253000000000 ] - [ -0.0001491600000000, 0.0001199300000000, 0.0000188500000000 ] - [ -0.0000936400000000, -0.0001379700000000, -0.0000361400000000 ] - [ 0.0001274200000000, 0.0002837900000000, 0.0001719800000000 ] - [ -0.0000497900000000, -0.0000917800000000, -0.0000139500000000 ] - [ -0.0001491600000000, -0.0001199300000000, 0.0000188500000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008301800000000, 0.0003196900000000, -0.0006940200000000 ] - [ 0.0000566400000000, -0.0000414700000000, 0.0001266500000000 ] - [ -0.0038737100000000, -0.0022509900000000, 0.0020609900000000 ] - [ 0.0001432900000000, 0.0000005900000000, -0.0002423800000000 ] - [ -0.0000113700000000, -0.0003459500000000, 0.0001142500000000 ] - [ 0.0000566400000000, 0.0000414700000000, 0.0001266500000000 ] - [ 0.0000745900000000, 0.0002631800000000, -0.0001621000000000 ] - [ 0.0001100500000000, 0.0001751000000000, -0.0000614700000000 ] - [ -0.0001655700000000, 0.0009507000000000, 0.0002856600000000 ] - [ -0.0028285800000000, 0.0000000000000000, -0.0052638500000000 ] - [ -0.0001811600000000, 0.0000000000000000, 0.0001263700000000 ] - [ 0.0008301800000000, -0.0003196900000000, -0.0006940200000000 ] - [ 0.0000745900000000, -0.0002631800000000, -0.0001621000000000 ] - [ -0.0001290300000000, 0.0000000000000000, -0.0001125400000000 ] - [ 0.0002585500000000, -0.0006053300000000, -0.0000835100000000 ] - [ 0.0001432900000000, -0.0000005900000000, -0.0002423800000000 ] - [ -0.0018128700000000, 0.0015243200000000, -0.0013428500000000 ] - [ 0.0013678500000000, 0.0004256300000000, 0.0005093300000000 ] - [ -0.0003559800000000, -0.0000587700000000, 0.0001324400000000 ] - [ -0.0003559800000000, 0.0000587700000000, 0.0001324400000000 ] - [ -0.0038737100000000, 0.0022509900000000, 0.0020609900000000 ] - [ 0.0013678500000000, -0.0004256300000000, 0.0005093300000000 ] - [ -0.0001655700000000, -0.0009507000000000, 0.0002856600000000 ] - [ -0.0000113700000000, 0.0003459500000000, 0.0001142500000000 ] - [ -0.0018128700000000, -0.0015243200000000, -0.0013428500000000 ] - [ 0.0001458900000000, 0.0000000000000000, 0.0000879300000000 ] - [ 0.0001100500000000, -0.0001751000000000, -0.0000614700000000 ] - [ 0.0002585500000000, 0.0006053300000000, -0.0000835100000000 ] - [ -0.0005690300000000, 0.0007854800000000, 0.0005684300000000 ] - [ -0.0005690300000000, -0.0007854800000000, 0.0005684300000000 ] - [ 0.0000646400000000, 0.0000000000000000, 0.0000609800000000 ] - [ 0.0000364300000000, 0.0001838100000000, -0.0001748200000000 ] - [ 0.0000092500000000, 0.0002552700000000, 0.0001809700000000 ] - [ 0.0000869600000000, 0.0000000000000000, -0.0000920300000000 ] - [ 0.0024751600000000, 0.0000000000000000, -0.0008364500000000 ] - [ 0.0003815100000000, 0.0008174500000000, 0.0002395100000000 ] - [ 0.0000364300000000, -0.0001838100000000, -0.0001748200000000 ] - [ 0.0003815100000000, -0.0008174500000000, 0.0002395100000000 ] - [ -0.0681960500000000, 0.0000000000000000, -0.0127420800000000 ] - [ 0.0000092500000000, -0.0002552700000000, 0.0001809700000000 ] - [ -0.0039265400000000, -0.0017240900000000, 0.0000725500000000 ] - [ -0.0024579900000000, 0.0019156400000000, -0.0003961600000000 ] - [ 0.0003335300000000, 0.0001235700000000, -0.0001760900000000 ] - [ -0.0000864800000000, 0.0000906400000000, -0.0000096600000000 ] - [ 0.0000736000000000, 0.0002281000000000, 0.0000534400000000 ] - [ -0.0004399900000000, 0.0002034800000000, -0.0002784400000000 ] - [ -0.0001632100000000, -0.0001331900000000, -0.0000318600000000 ] - [ -0.0008265900000000, 0.0000000000000000, 0.0000267900000000 ] - [ -0.0001973800000000, 0.0001149500000000, 0.0000481600000000 ] - [ -0.0000966900000000, 0.0000911200000000, 0.0000754500000000 ] - [ 0.0938472400000000, 0.0000000000000000, 0.0173353400000000 ] - [ -0.0000966900000000, -0.0000911200000000, 0.0000754500000000 ] - [ 0.0000669600000000, 0.0000761900000000, -0.0000737700000000 ] - [ 0.0003335300000000, -0.0001235700000000, -0.0001760900000000 ] - [ -0.0001632100000000, 0.0001331900000000, -0.0000318600000000 ] - [ 0.0002979200000000, 0.0000000000000000, 0.0002065900000000 ] - [ -0.0048262900000000, 0.0000000000000000, 0.0009331400000000 ] - [ 0.0001216300000000, 0.0000000000000000, -0.0001349900000000 ] - [ 0.0003844500000000, -0.0000960700000000, 0.0001869800000000 ] - [ 0.0012265400000000, 0.0000000000000000, 0.0000814400000000 ] - [ -0.0001973800000000, -0.0001149500000000, 0.0000481600000000 ] - [ -0.0001051200000000, 0.0001051200000000, 0.0000303700000000 ] - [ -0.0004399900000000, -0.0002034800000000, -0.0002784400000000 ] - [ -0.0000608300000000, 0.0000574000000000, 0.0000199100000000 ] - [ -0.0024579900000000, -0.0019156400000000, -0.0003961600000000 ] - [ -0.0039265400000000, 0.0017240900000000, 0.0000725500000000 ] - [ 0.0001721100000000, -0.0012442900000000, -0.0004721100000000 ] - [ 0.0003178900000000, 0.0000000000000000, -0.0002046400000000 ] - [ 0.0001403700000000, 0.0000000000000000, 0.0001292300000000 ] - [ 0.0003844500000000, 0.0000960700000000, 0.0001869800000000 ] - [ -0.0002970100000000, -0.0012837400000000, -0.0009205100000000 ] - [ 0.0006955100000000, -0.0003353600000000, 0.0004057800000000 ] - [ 0.0001640600000000, 0.0002443200000000, -0.0000695000000000 ] - [ 0.0000186000000000, -0.0003454300000000, -0.0003464900000000 ] - [ -0.0016137700000000, 0.0000000000000000, 0.0008895500000000 ] - [ 0.0000186000000000, 0.0003454300000000, -0.0003464900000000 ] - [ 0.0000736000000000, -0.0002281000000000, 0.0000534400000000 ] - [ -0.0011049900000000, 0.0000000000000000, 0.0004535800000000 ] - [ 0.0006955100000000, 0.0003353600000000, 0.0004057800000000 ] - [ -0.0002970100000000, 0.0012837400000000, -0.0009205100000000 ] - [ -0.0000509000000000, -0.0004279100000000, -0.0000712800000000 ] - [ 0.0001640600000000, -0.0002443200000000, -0.0000695000000000 ] - [ 0.0001721100000000, 0.0012442900000000, -0.0004721100000000 ] - [ -0.0000509000000000, 0.0004279100000000, -0.0000712800000000 ] - [ 0.0000727900000000, 0.0000000000000000, 0.0001247700000000 ] - [ 0.0000669600000000, -0.0000761900000000, -0.0000737700000000 ] - [ 0.0000308800000000, 0.0000000000000000, -0.0001292100000000 ] - [ -0.0000671800000000, 0.0000206400000000, 0.0000261500000000 ] - [ -0.0000608300000000, -0.0000574000000000, 0.0000199100000000 ] - [ -0.0000864800000000, -0.0000906400000000, -0.0000096600000000 ] - [ -0.0001051200000000, -0.0001051200000000, 0.0000303700000000 ] - [ -0.0000671800000000, -0.0000206400000000, 0.0000261500000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000468300000000, 0.0010682200000000, -0.0002473900000000 ] - [ 0.0000446200000000, -0.0006509500000000, 0.0001145200000000 ] - [ 0.0012571500000000, 0.0020049800000000, -0.0001486000000000 ] - [ -0.0001754000000000, -0.0004188200000000, -0.0001929100000000 ] - [ 0.0000811600000000, -0.0008262500000000, 0.0001255100000000 ] - [ 0.0001263400000000, -0.0004445600000000, 0.0000751000000000 ] - [ 0.0000685000000000, -0.0002109600000000, -0.0001220300000000 ] - [ 0.0000700200000000, -0.0003807600000000, -0.0001015200000000 ] - [ -0.0000912800000000, -0.0005838500000000, 0.0001823600000000 ] - [ 0.0001419400000000, -0.0000652900000000, -0.0001346900000000 ] - [ -0.0001545900000000, -0.0005502900000000, 0.0001210700000000 ] - [ -0.0000080800000000, 0.0004587300000000, -0.0000325800000000 ] - [ -0.0000149900000000, -0.0008177000000000, -0.0001573700000000 ] - [ -0.0001545800000000, -0.0004484100000000, -0.0001209700000000 ] - [ 0.0003606100000000, -0.0000856600000000, -0.0002274700000000 ] - [ -0.0000223800000000, -0.0003783000000000, -0.0001634000000000 ] - [ -0.0003902400000000, 0.0053417200000000, -0.0039598200000000 ] - [ -0.0005521900000000, 0.0005583300000000, 0.0002765400000000 ] - [ -0.0000600700000000, -0.0006025300000000, 0.0002516200000000 ] - [ -0.0001362500000000, -0.0005608300000000, 0.0001051900000000 ] - [ -0.0013731200000000, 0.0026827400000000, 0.0005104800000000 ] - [ 0.0003857200000000, 0.0007677300000000, -0.0000853800000000 ] - [ 0.0002907000000000, -0.0005406400000000, 0.0001745800000000 ] - [ -0.0000266000000000, -0.0002198100000000, 0.0001536300000000 ] - [ 0.0002363100000000, 0.0050108200000000, 0.0035916000000000 ] - [ 0.0001557400000000, 0.0015922700000000, 0.0001211500000000 ] - [ 0.0001010800000000, -0.0005866900000000, -0.0000879500000000 ] - [ -0.0001655300000000, -0.0000412100000000, -0.0001298700000000 ] - [ -0.0002347200000000, -0.0003047400000000, 0.0002970700000000 ] - [ 0.0002064300000000, -0.0007894600000000, -0.0000368500000000 ] - [ 0.0000756800000000, -0.0005905700000000, 0.0000748000000000 ] - [ 0.0001636000000000, -0.0005547700000000, -0.0002973200000000 ] - [ -0.0000601900000000, -0.0000842200000000, 0.0000428100000000 ] - [ 0.0000751200000000, -0.0005104800000000, -0.0000747000000000 ] - [ -0.0000794200000000, 0.0005851600000000, -0.0000778700000000 ] - [ -0.0002915100000000, -0.0007905900000000, 0.0000403900000000 ] - [ -0.0001386300000000, -0.0010421500000000, 0.0000419500000000 ] - [ 0.0002674900000000, -0.0003025400000000, -0.0002994200000000 ] - [ 0.0000413600000000, 0.0055615100000000, 0.0001012700000000 ] - [ 0.0000866700000000, -0.0005678500000000, 0.0002152100000000 ] - [ 0.0001121100000000, -0.0006070400000000, 0.0000480000000000 ] - [ -0.0038973700000000, -0.0008036600000000, -0.0010461500000000 ] - [ 0.0003240900000000, 0.0005401000000000, -0.0001928300000000 ] - [ -0.0006589600000000, 0.0002340100000000, 0.0000116100000000 ] - [ -0.0000949300000000, 0.0003270300000000, 0.0001334400000000 ] - [ -0.0001747600000000, -0.0000730900000000, -0.0001048900000000 ] - [ -0.0000064900000000, 0.0002262000000000, 0.0000033800000000 ] - [ -0.0000536200000000, -0.0017877700000000, 0.0001283300000000 ] - [ 0.0000155600000000, 0.0003171100000000, 0.0000194100000000 ] - [ -0.0000340300000000, 0.0002737000000000, 0.0001169300000000 ] - [ -0.0003426000000000, -0.0191070400000000, -0.0001186700000000 ] - [ -0.0000109000000000, 0.0000766100000000, 0.0000433600000000 ] - [ -0.0000357100000000, 0.0004833800000000, -0.0001138200000000 ] - [ 0.0003916200000000, 0.0003219500000000, -0.0001726100000000 ] - [ -0.0002105900000000, 0.0003663400000000, -0.0000486000000000 ] - [ 0.0003104600000000, 0.0003344300000000, 0.0002067000000000 ] - [ -0.0001259000000000, -0.0005611000000000, -0.0001342200000000 ] - [ 0.0001310000000000, 0.0004517900000000, -0.0001324000000000 ] - [ 0.0003616300000000, 0.0003825700000000, 0.0001654400000000 ] - [ -0.0001304900000000, -0.0024145400000000, 0.0001307800000000 ] - [ -0.0000483800000000, 0.0001025200000000, 0.0001281900000000 ] - [ -0.0000580600000000, 0.0004496800000000, -0.0000077400000000 ] - [ 0.0003907400000000, 0.0000692600000000, 0.0001498100000000 ] - [ -0.0000485300000000, 0.0006656100000000, 0.0000114000000000 ] - [ 0.0031658800000000, -0.0010217200000000, 0.0013920300000000 ] - [ -0.0008449300000000, -0.0008239200000000, -0.0004101300000000 ] - [ 0.0004613200000000, 0.0002911200000000, 0.0005317500000000 ] - [ 0.0003103200000000, 0.0003308000000000, -0.0002065800000000 ] - [ 0.0001308400000000, 0.0004438800000000, 0.0001323800000000 ] - [ 0.0003537500000000, 0.0006002700000000, 0.0002000900000000 ] - [ 0.0003397400000000, 0.0004128000000000, 0.0002069700000000 ] - [ 0.0001706300000000, 0.0010033100000000, 0.0000050900000000 ] - [ -0.0001485600000000, 0.0009934700000000, 0.0000883100000000 ] - [ 0.0003912200000000, 0.0001820600000000, 0.0002134800000000 ] - [ -0.0000510200000000, -0.0010590500000000, -0.0001234600000000 ] - [ -0.0003486600000000, 0.0003784400000000, -0.0003735700000000 ] - [ 0.0001282500000000, 0.0005396100000000, 0.0000143200000000 ] - [ -0.0003118800000000, -0.0004686600000000, 0.0002081500000000 ] - [ 0.0000459600000000, 0.0011390600000000, -0.0000500800000000 ] - [ -0.0001846800000000, 0.0002117700000000, -0.0002176900000000 ] - [ 0.0000537800000000, 0.0003161900000000, -0.0001602800000000 ] - [ 0.0001167100000000, 0.0007824900000000, -0.0002374200000000 ] - [ -0.0003053200000000, 0.0004876100000000, -0.0005130900000000 ] - [ -0.0000217400000000, 0.0005277000000000, 0.0000121800000000 ] - [ 0.0000518800000000, 0.0003717500000000, 0.0001267800000000 ] - [ -0.0000095700000000, 0.0002876200000000, -0.0000468700000000 ] - [ 0.0000520000000000, 0.0003243900000000, -0.0001268400000000 ] - [ -0.0001224900000000, 0.0003930500000000, 0.0000266500000000 ] - [ -0.0001060900000000, 0.0004683600000000, -0.0000278900000000 ] - [ 0.0007076300000000, 0.0004318900000000, 0.0001492100000000 ] - [ -0.0000965700000000, 0.0002542100000000, 0.0000243400000000 ] - [ -0.0000939300000000, 0.0002521200000000, 0.0000185800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000181900000000, 0.0000468400000000, -0.0003997700000000 ] - [ 0.0000931300000000, -0.0001346300000000, 0.0000609600000000 ] - [ -0.0009206200000000, 0.0001748800000000, 0.0015077100000000 ] - [ -0.0001276300000000, 0.0000231500000000, -0.0002193500000000 ] - [ 0.0000383200000000, -0.0002978500000000, 0.0001467500000000 ] - [ 0.0000931300000000, 0.0001346300000000, 0.0000609600000000 ] - [ 0.0000254800000000, 0.0003201600000000, -0.0001107700000000 ] - [ 0.0000769700000000, 0.0000845900000000, -0.0001119500000000 ] - [ 0.0002285200000000, -0.0007187300000000, 0.0001113600000000 ] - [ 0.0048066600000000, 0.0000000000000000, 0.0054814000000000 ] - [ -0.0001530000000000, 0.0000000000000000, 0.0001182700000000 ] - [ -0.0000181900000000, -0.0000468400000000, -0.0003997700000000 ] - [ 0.0000254800000000, -0.0003201600000000, -0.0001107700000000 ] - [ -0.0001591200000000, 0.0000000000000000, -0.0001250500000000 ] - [ 0.0000732500000000, 0.0001786400000000, -0.0000593300000000 ] - [ -0.0001276300000000, -0.0000231500000000, -0.0002193500000000 ] - [ 0.0002059500000000, -0.0037008800000000, 0.0046719200000000 ] - [ -0.0002995100000000, 0.0004123000000000, 0.0006368400000000 ] - [ -0.0000425600000000, -0.0000351000000000, 0.0001898300000000 ] - [ -0.0000425600000000, 0.0000351000000000, 0.0001898300000000 ] - [ -0.0009206200000000, -0.0001748800000000, 0.0015077100000000 ] - [ -0.0002995100000000, -0.0004123000000000, 0.0006368400000000 ] - [ 0.0002285200000000, 0.0007187300000000, 0.0001113600000000 ] - [ 0.0000383200000000, 0.0002978500000000, 0.0001467500000000 ] - [ 0.0002059500000000, 0.0037008800000000, 0.0046719200000000 ] - [ 0.0002443400000000, 0.0000000000000000, -0.0011335100000000 ] - [ 0.0000769700000000, -0.0000845900000000, -0.0001119500000000 ] - [ 0.0000732500000000, -0.0001786400000000, -0.0000593300000000 ] - [ 0.0002218000000000, -0.0000343700000000, -0.0005958800000000 ] - [ 0.0002218000000000, 0.0000343700000000, -0.0005958800000000 ] - [ 0.0000752200000000, 0.0000000000000000, 0.0000838700000000 ] - [ 0.0000015400000000, 0.0002002700000000, -0.0002364300000000 ] - [ 0.0000276700000000, 0.0002515300000000, 0.0001329000000000 ] - [ 0.0000751900000000, 0.0000000000000000, -0.0000707300000000 ] - [ -0.0003282200000000, 0.0000000000000000, 0.0008613700000000 ] - [ -0.0001314300000000, -0.0006378900000000, -0.0004802300000000 ] - [ 0.0000015400000000, -0.0002002700000000, -0.0002364300000000 ] - [ -0.0001314300000000, 0.0006378900000000, -0.0004802300000000 ] - [ 0.0102082500000000, 0.0000000000000000, 0.0090322100000000 ] - [ 0.0000276700000000, -0.0002515300000000, 0.0001329000000000 ] - [ -0.0000497600000000, 0.0005438900000000, -0.0005878200000000 ] - [ 0.0026721500000000, -0.0015755900000000, -0.0001815700000000 ] - [ 0.0003706900000000, 0.0001020500000000, -0.0001772300000000 ] - [ -0.0004728700000000, 0.0002934700000000, 0.0004950800000000 ] - [ 0.0000026400000000, -0.0003666000000000, 0.0001069900000000 ] - [ 0.0002667200000000, -0.0001455800000000, 0.0002553300000000 ] - [ -0.0000909600000000, -0.0000877200000000, -0.0000407100000000 ] - [ -0.0024693400000000, 0.0000000000000000, -0.0010685500000000 ] - [ 0.0000342400000000, 0.0000900300000000, 0.0000155600000000 ] - [ -0.0000048300000000, 0.0000839700000000, 0.0000820600000000 ] - [ -0.0177625000000000, 0.0000000000000000, -0.0349974100000000 ] - [ -0.0000048300000000, -0.0000839700000000, 0.0000820600000000 ] - [ -0.0000730300000000, 0.0000765000000000, -0.0000614800000000 ] - [ 0.0003706900000000, -0.0001020500000000, -0.0001772300000000 ] - [ -0.0000909600000000, 0.0000877200000000, -0.0000407100000000 ] - [ 0.0003101100000000, 0.0000000000000000, 0.0002026600000000 ] - [ -0.0002139600000000, 0.0000000000000000, 0.0006548000000000 ] - [ 0.0001305100000000, 0.0000000000000000, -0.0001279300000000 ] - [ 0.0003526500000000, -0.0001157800000000, 0.0001767200000000 ] - [ -0.0003971400000000, 0.0000000000000000, 0.0048284800000000 ] - [ 0.0000342400000000, -0.0000900300000000, 0.0000155600000000 ] - [ -0.0000765500000000, 0.0000965000000000, -0.0000051000000000 ] - [ 0.0002667200000000, 0.0001455800000000, 0.0002553300000000 ] - [ -0.0000885200000000, 0.0000484100000000, -0.0000143300000000 ] - [ 0.0026721500000000, 0.0015755900000000, -0.0001815700000000 ] - [ -0.0000497600000000, -0.0005438900000000, -0.0005878200000000 ] - [ 0.0003552700000000, 0.0009369000000000, 0.0005953700000000 ] - [ 0.0003122100000000, 0.0000000000000000, -0.0002120500000000 ] - [ 0.0001297500000000, 0.0000000000000000, 0.0001363200000000 ] - [ 0.0003526500000000, 0.0001157800000000, 0.0001767200000000 ] - [ 0.0001815600000000, 0.0005561900000000, 0.0005741400000000 ] - [ 0.0007183000000000, 0.0000575700000000, 0.0013549100000000 ] - [ -0.0000495100000000, 0.0002680200000000, -0.0001507400000000 ] - [ -0.0002714200000000, -0.0004103100000000, 0.0000022100000000 ] - [ -0.0012135600000000, 0.0000000000000000, 0.0009546800000000 ] - [ -0.0002714200000000, 0.0004103100000000, 0.0000022100000000 ] - [ 0.0000026400000000, 0.0003666000000000, 0.0001069900000000 ] - [ -0.0000596400000000, 0.0000000000000000, 0.0000440900000000 ] - [ 0.0007183000000000, -0.0000575700000000, 0.0013549100000000 ] - [ 0.0001815600000000, -0.0005561900000000, 0.0005741400000000 ] - [ 0.0000691200000000, -0.0000149900000000, -0.0000315800000000 ] - [ -0.0000495100000000, -0.0002680200000000, -0.0001507400000000 ] - [ 0.0003552700000000, -0.0009369000000000, 0.0005953700000000 ] - [ 0.0000691200000000, 0.0000149900000000, -0.0000315800000000 ] - [ 0.0000447600000000, 0.0000000000000000, 0.0001267600000000 ] - [ -0.0000730300000000, -0.0000765000000000, -0.0000614800000000 ] - [ 0.0000565300000000, 0.0000000000000000, -0.0001278300000000 ] - [ -0.0001171100000000, 0.0000580000000000, 0.0000167200000000 ] - [ -0.0000885200000000, -0.0000484100000000, -0.0000143300000000 ] - [ -0.0004728700000000, -0.0002934700000000, 0.0004950800000000 ] - [ -0.0000765500000000, -0.0000965000000000, -0.0000051000000000 ] - [ -0.0001171100000000, -0.0000580000000000, 0.0000167200000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000410400000000, 0.0005647400000000, 0.0001277800000000 ] - [ 0.0000779100000000, -0.0000724700000000, 0.0001271100000000 ] - [ 0.0008285700000000, -0.0008572100000000, -0.0011598700000000 ] - [ -0.0000706400000000, -0.0000638400000000, -0.0001366100000000 ] - [ 0.0000158900000000, -0.0003091000000000, 0.0001318400000000 ] - [ 0.0000779100000000, 0.0000724700000000, 0.0001271100000000 ] - [ 0.0000281700000000, 0.0002873800000000, -0.0001674600000000 ] - [ 0.0000934600000000, 0.0001218800000000, -0.0000767500000000 ] - [ -0.0000310100000000, 0.0006743500000000, 0.0002455500000000 ] - [ -0.0043398800000000, 0.0000000000000000, -0.0056518600000000 ] - [ -0.0001562100000000, 0.0000000000000000, 0.0001237500000000 ] - [ -0.0000410400000000, -0.0005647400000000, 0.0001277800000000 ] - [ 0.0000281700000000, -0.0002873800000000, -0.0001674600000000 ] - [ -0.0001503100000000, 0.0000000000000000, -0.0001170400000000 ] - [ 0.0001231500000000, -0.0002167400000000, -0.0002991200000000 ] - [ -0.0000706400000000, 0.0000638400000000, -0.0001366100000000 ] - [ -0.0003609300000000, 0.0040894800000000, -0.0050256800000000 ] - [ 0.0001210600000000, -0.0006262100000000, -0.0004539400000000 ] - [ -0.0001529100000000, -0.0000056300000000, 0.0001675000000000 ] - [ -0.0001529100000000, 0.0000056300000000, 0.0001675000000000 ] - [ 0.0008285700000000, 0.0008572100000000, -0.0011598700000000 ] - [ 0.0001210600000000, 0.0006262100000000, -0.0004539400000000 ] - [ -0.0000310100000000, -0.0006743500000000, 0.0002455500000000 ] - [ 0.0000158900000000, 0.0003091000000000, 0.0001318400000000 ] - [ -0.0003609300000000, -0.0040894800000000, -0.0050256800000000 ] - [ 0.0000732200000000, 0.0000000000000000, 0.0013767700000000 ] - [ 0.0000934600000000, -0.0001218800000000, -0.0000767500000000 ] - [ 0.0001231500000000, 0.0002167400000000, -0.0002991200000000 ] - [ -0.0002470200000000, 0.0005169900000000, 0.0008551600000000 ] - [ -0.0002470200000000, -0.0005169900000000, 0.0008551600000000 ] - [ 0.0000756300000000, 0.0000000000000000, 0.0000656400000000 ] - [ 0.0000244200000000, 0.0002845800000000, -0.0000214600000000 ] - [ -0.0000016500000000, 0.0002343300000000, 0.0001239100000000 ] - [ 0.0000750900000000, 0.0000000000000000, -0.0000782900000000 ] - [ 0.0001748200000000, 0.0000000000000000, -0.0009971000000000 ] - [ 0.0001055300000000, 0.0001452200000000, 0.0002183200000000 ] - [ 0.0000244200000000, -0.0002845800000000, -0.0000214600000000 ] - [ 0.0001055300000000, -0.0001452200000000, 0.0002183200000000 ] - [ -0.0102714200000000, 0.0000000000000000, -0.0088240800000000 ] - [ -0.0000016500000000, -0.0002343300000000, 0.0001239100000000 ] - [ -0.0006515000000000, -0.0003170700000000, 0.0002161500000000 ] - [ -0.0033940600000000, 0.0018104300000000, 0.0005542600000000 ] - [ 0.0003453200000000, 0.0001164900000000, -0.0001884000000000 ] - [ 0.0005243500000000, -0.0004923000000000, -0.0003348900000000 ] - [ 0.0000298500000000, 0.0001509700000000, 0.0000399200000000 ] - [ -0.0000480900000000, 0.0000020900000000, -0.0002082800000000 ] - [ -0.0001247700000000, -0.0000528300000000, -0.0000040700000000 ] - [ 0.0023538400000000, 0.0000000000000000, 0.0013196600000000 ] - [ -0.0000659600000000, 0.0001233300000000, 0.0001320100000000 ] - [ -0.0000403500000000, 0.0001123900000000, 0.0000792500000000 ] - [ 0.0169162600000000, 0.0000000000000000, 0.0346042600000000 ] - [ -0.0000403500000000, -0.0001123900000000, 0.0000792500000000 ] - [ 0.0000270600000000, 0.0001196000000000, -0.0000999300000000 ] - [ 0.0003453200000000, -0.0001164900000000, -0.0001884000000000 ] - [ -0.0001247700000000, 0.0000528300000000, -0.0000040700000000 ] - [ 0.0003097800000000, 0.0000000000000000, 0.0002104200000000 ] - [ -0.0000227200000000, 0.0000000000000000, -0.0009256600000000 ] - [ 0.0001312500000000, 0.0000000000000000, -0.0001363100000000 ] - [ 0.0003630600000000, -0.0001027700000000, 0.0001889600000000 ] - [ 0.0001260300000000, 0.0000000000000000, -0.0045364300000000 ] - [ -0.0000659600000000, -0.0001233300000000, 0.0001320100000000 ] - [ -0.0000781500000000, 0.0000998500000000, 0.0000211700000000 ] - [ -0.0000480900000000, -0.0000020900000000, -0.0002082800000000 ] - [ -0.0000663100000000, 0.0001478200000000, -0.0000020800000000 ] - [ -0.0033940600000000, -0.0018104300000000, 0.0005542600000000 ] - [ -0.0006515000000000, 0.0003170700000000, 0.0002161500000000 ] - [ -0.0001998300000000, -0.0011303200000000, -0.0005792200000000 ] - [ 0.0003078200000000, 0.0000000000000000, -0.0002011200000000 ] - [ 0.0001318500000000, 0.0000000000000000, 0.0001283100000000 ] - [ 0.0003630600000000, 0.0001027700000000, 0.0001889600000000 ] - [ -0.0000252300000000, -0.0003480800000000, -0.0005824700000000 ] - [ -0.0005037500000000, -0.0001960600000000, -0.0013998000000000 ] - [ 0.0000153900000000, -0.0000540400000000, 0.0000050600000000 ] - [ 0.0003138900000000, 0.0002139700000000, -0.0001625900000000 ] - [ 0.0011154100000000, 0.0000000000000000, -0.0012155700000000 ] - [ 0.0003138900000000, -0.0002139700000000, -0.0001625900000000 ] - [ 0.0000298500000000, -0.0001509700000000, 0.0000399200000000 ] - [ -0.0005542500000000, 0.0000000000000000, 0.0003661800000000 ] - [ -0.0005037500000000, 0.0001960600000000, -0.0013998000000000 ] - [ -0.0000252300000000, 0.0003480800000000, -0.0005824700000000 ] - [ -0.0000364100000000, -0.0001962100000000, -0.0001158100000000 ] - [ 0.0000153900000000, 0.0000540400000000, 0.0000050600000000 ] - [ -0.0001998300000000, 0.0011303200000000, -0.0005792200000000 ] - [ -0.0000364100000000, 0.0001962100000000, -0.0001158100000000 ] - [ 0.0000592800000000, 0.0000000000000000, 0.0001274800000000 ] - [ 0.0000270600000000, -0.0001196000000000, -0.0000999300000000 ] - [ 0.0000477800000000, 0.0000000000000000, -0.0001266700000000 ] - [ -0.0000991300000000, 0.0000830000000000, 0.0000282900000000 ] - [ -0.0000663100000000, -0.0001478200000000, -0.0000020800000000 ] - [ 0.0005243500000000, 0.0004923000000000, -0.0003348900000000 ] - [ -0.0000781500000000, -0.0000998500000000, 0.0000211700000000 ] - [ -0.0000991300000000, -0.0000830000000000, 0.0000282900000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0029474400000000, -0.0011504300000000, -0.0020938900000000 ] - [ 0.0000508200000000, -0.0000417100000000, 0.0001262100000000 ] - [ -0.0011424700000000, 0.0003411100000000, -0.0005513400000000 ] - [ 0.0001271300000000, 0.0000680200000000, -0.0001571000000000 ] - [ -0.0000097600000000, -0.0003451400000000, 0.0001220300000000 ] - [ 0.0000508200000000, 0.0000417100000000, 0.0001262100000000 ] - [ 0.0000564200000000, 0.0002567700000000, -0.0001668600000000 ] - [ 0.0001256300000000, 0.0001593700000000, -0.0000648500000000 ] - [ -0.0000729200000000, 0.0004741500000000, 0.0001252700000000 ] - [ 0.0109809900000000, 0.0000000000000000, 0.0006290300000000 ] - [ -0.0001806400000000, 0.0000000000000000, 0.0001262000000000 ] - [ 0.0029474400000000, 0.0011504300000000, -0.0020938900000000 ] - [ 0.0000564200000000, -0.0002567700000000, -0.0001668600000000 ] - [ -0.0001255900000000, 0.0000000000000000, -0.0001110200000000 ] - [ 0.0002668500000000, -0.0004862000000000, -0.0002181800000000 ] - [ 0.0001271300000000, -0.0000680200000000, -0.0001571000000000 ] - [ -0.0011914600000000, 0.0002785500000000, 0.0002726700000000 ] - [ 0.0026889600000000, -0.0004253500000000, -0.0003882700000000 ] - [ -0.0003344400000000, -0.0000869900000000, 0.0001460700000000 ] - [ -0.0003344400000000, 0.0000869900000000, 0.0001460700000000 ] - [ -0.0011424700000000, -0.0003411100000000, -0.0005513400000000 ] - [ 0.0026889600000000, 0.0004253500000000, -0.0003882700000000 ] - [ -0.0000729200000000, -0.0004741500000000, 0.0001252700000000 ] - [ -0.0000097600000000, 0.0003451400000000, 0.0001220300000000 ] - [ -0.0011914600000000, -0.0002785500000000, 0.0002726700000000 ] - [ -0.0009740300000000, 0.0000000000000000, -0.0005791200000000 ] - [ 0.0001256300000000, -0.0001593700000000, -0.0000648500000000 ] - [ 0.0002668500000000, 0.0004862000000000, -0.0002181800000000 ] - [ -0.0005626400000000, 0.0006951000000000, 0.0006221300000000 ] - [ -0.0005626400000000, -0.0006951000000000, 0.0006221300000000 ] - [ 0.0000680000000000, 0.0000000000000000, 0.0000585800000000 ] - [ -0.0000116400000000, 0.0002134600000000, -0.0001277800000000 ] - [ 0.0000421900000000, 0.0002689200000000, 0.0000558000000000 ] - [ 0.0000803300000000, 0.0000000000000000, -0.0000919000000000 ] - [ 0.0020775100000000, 0.0000000000000000, 0.0003934500000000 ] - [ 0.0006104300000000, 0.0005054800000000, 0.0003612200000000 ] - [ -0.0000116400000000, -0.0002134600000000, -0.0001277800000000 ] - [ 0.0006104300000000, -0.0005054800000000, 0.0003612200000000 ] - [ -0.0006617500000000, 0.0000000000000000, 0.0032300000000000 ] - [ 0.0000421900000000, -0.0002689200000000, 0.0000558000000000 ] - [ -0.0001674600000000, -0.0007708600000000, 0.0008732000000000 ] - [ 0.0001333700000000, 0.0008895300000000, -0.0003162400000000 ] - [ 0.0003368000000000, 0.0001268000000000, -0.0001814400000000 ] - [ 0.0002688700000000, 0.0001289900000000, 0.0001030400000000 ] - [ 0.0000863400000000, 0.0002343800000000, 0.0000613700000000 ] - [ -0.0005748100000000, -0.0001576100000000, 0.0000525500000000 ] - [ -0.0001691200000000, -0.0001511100000000, -0.0000155500000000 ] - [ 0.0030335100000000, 0.0000000000000000, -0.0042064900000000 ] - [ -0.0002240400000000, -0.0000490500000000, -0.0000091700000000 ] - [ -0.0001045200000000, 0.0001525200000000, 0.0001112700000000 ] - [ 0.0043985400000000, 0.0000000000000000, -0.0003103900000000 ] - [ -0.0001045200000000, -0.0001525200000000, 0.0001112700000000 ] - [ 0.0000602800000000, 0.0000794500000000, -0.0000697500000000 ] - [ 0.0003368000000000, -0.0001268000000000, -0.0001814400000000 ] - [ -0.0001691200000000, 0.0001511100000000, -0.0000155500000000 ] - [ 0.0003000900000000, 0.0000000000000000, 0.0002054200000000 ] - [ -0.0309503600000000, 0.0000000000000000, 0.0061914300000000 ] - [ 0.0001260000000000, 0.0000000000000000, -0.0001327500000000 ] - [ 0.0003787500000000, -0.0000967500000000, 0.0001901300000000 ] - [ 0.0018679800000000, 0.0000000000000000, -0.0004537000000000 ] - [ -0.0002240400000000, 0.0000490500000000, -0.0000091700000000 ] - [ -0.0001129200000000, 0.0001420900000000, 0.0000238700000000 ] - [ -0.0005748100000000, 0.0001576100000000, 0.0000525500000000 ] - [ -0.0000456700000000, 0.0000848600000000, 0.0000113200000000 ] - [ 0.0001333700000000, -0.0008895300000000, -0.0003162400000000 ] - [ -0.0001674600000000, 0.0007708600000000, 0.0008732000000000 ] - [ 0.0006298100000000, -0.0012770300000000, -0.0000887200000000 ] - [ 0.0003184100000000, 0.0000000000000000, -0.0002059500000000 ] - [ 0.0001349100000000, 0.0000000000000000, 0.0001313200000000 ] - [ 0.0003787500000000, 0.0000967500000000, 0.0001901300000000 ] - [ 0.0002129300000000, -0.0014644700000000, 0.0004985900000000 ] - [ 0.0004132800000000, -0.0001120000000000, -0.0000933500000000 ] - [ 0.0001400200000000, 0.0001668900000000, -0.0000631300000000 ] - [ 0.0000621200000000, -0.0004304500000000, -0.0000946000000000 ] - [ 0.0015254000000000, 0.0000000000000000, -0.0032416900000000 ] - [ 0.0000621200000000, 0.0004304500000000, -0.0000946000000000 ] - [ 0.0000863400000000, -0.0002343800000000, 0.0000613700000000 ] - [ -0.0016623300000000, 0.0000000000000000, 0.0004647000000000 ] - [ 0.0004132800000000, 0.0001120000000000, -0.0000933500000000 ] - [ 0.0002129300000000, 0.0014644700000000, 0.0004985900000000 ] - [ -0.0000795800000000, -0.0004219000000000, -0.0001193000000000 ] - [ 0.0001400200000000, -0.0001668900000000, -0.0000631300000000 ] - [ 0.0006298100000000, 0.0012770300000000, -0.0000887200000000 ] - [ -0.0000795800000000, 0.0004219000000000, -0.0001193000000000 ] - [ 0.0000711600000000, 0.0000000000000000, 0.0001243800000000 ] - [ 0.0000602800000000, -0.0000794500000000, -0.0000697500000000 ] - [ 0.0000326000000000, 0.0000000000000000, -0.0001304100000000 ] - [ -0.0000653700000000, 0.0000153800000000, 0.0000172400000000 ] - [ -0.0000456700000000, -0.0000848600000000, 0.0000113200000000 ] - [ 0.0002688700000000, -0.0001289900000000, 0.0001030400000000 ] - [ -0.0001129200000000, -0.0001420900000000, 0.0000238700000000 ] - [ -0.0000653700000000, -0.0000153800000000, 0.0000172400000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030005100000000, 0.0017794700000000, 0.0018318300000000 ] - [ 0.0001193300000000, -0.0001656100000000, 0.0000614500000000 ] - [ 0.0010969000000000, -0.0009356600000000, 0.0008217500000000 ] - [ -0.0003240500000000, -0.0001051400000000, -0.0001983900000000 ] - [ 0.0000643100000000, -0.0002622400000000, 0.0001557000000000 ] - [ 0.0001193300000000, 0.0001656100000000, 0.0000614500000000 ] - [ -0.0000031300000000, 0.0003506100000000, -0.0001111300000000 ] - [ 0.0000451600000000, 0.0000474600000000, -0.0001227600000000 ] - [ 0.0002709600000000, -0.0005082600000000, 0.0002316100000000 ] - [ -0.0113191100000000, 0.0000000000000000, -0.0010055400000000 ] - [ -0.0001288400000000, 0.0000000000000000, 0.0001154700000000 ] - [ -0.0030005100000000, -0.0017794700000000, 0.0018318300000000 ] - [ -0.0000031300000000, -0.0003506100000000, -0.0001111300000000 ] - [ -0.0001837700000000, 0.0000000000000000, -0.0001306800000000 ] - [ -0.0000733100000000, 0.0004473300000000, -0.0001384900000000 ] - [ -0.0003240500000000, 0.0001051400000000, -0.0001983900000000 ] - [ 0.0010128500000000, -0.0000826400000000, -0.0004546500000000 ] - [ -0.0028426400000000, 0.0001850500000000, 0.0005431400000000 ] - [ 0.0001388000000000, 0.0000470000000000, 0.0002116400000000 ] - [ 0.0001388000000000, -0.0000470000000000, 0.0002116400000000 ] - [ 0.0010969000000000, 0.0009356600000000, 0.0008217500000000 ] - [ -0.0028426400000000, -0.0001850500000000, 0.0005431400000000 ] - [ 0.0002709600000000, 0.0005082600000000, 0.0002316100000000 ] - [ 0.0000643100000000, 0.0002622400000000, 0.0001557000000000 ] - [ 0.0010128500000000, 0.0000826400000000, -0.0004546500000000 ] - [ 0.0013820900000000, 0.0000000000000000, 0.0008791200000000 ] - [ 0.0000451600000000, -0.0000474600000000, -0.0001227600000000 ] - [ -0.0000733100000000, -0.0004473300000000, -0.0001384900000000 ] - [ 0.0005343100000000, -0.0002134800000000, -0.0003725700000000 ] - [ 0.0005343100000000, 0.0002134800000000, -0.0003725700000000 ] - [ 0.0000840500000000, 0.0000000000000000, 0.0000903300000000 ] - [ 0.0000363100000000, 0.0002732700000000, -0.0001288200000000 ] - [ -0.0000149400000000, 0.0002152500000000, 0.0002018200000000 ] - [ 0.0000697400000000, 0.0000000000000000, -0.0000568400000000 ] - [ -0.0022531800000000, 0.0000000000000000, -0.0005472800000000 ] - [ -0.0006283300000000, -0.0009903100000000, -0.0006151700000000 ] - [ 0.0000363100000000, -0.0002732700000000, -0.0001288200000000 ] - [ -0.0006283300000000, 0.0009903100000000, -0.0006151700000000 ] - [ 0.0005557000000000, 0.0000000000000000, -0.0030856300000000 ] - [ -0.0000149400000000, -0.0002152500000000, 0.0002018200000000 ] - [ -0.0005349100000000, 0.0009963900000000, -0.0012382700000000 ] - [ -0.0008573100000000, -0.0006530900000000, 0.0006755900000000 ] - [ 0.0003796300000000, 0.0000925400000000, -0.0001841200000000 ] - [ -0.0002122300000000, -0.0003215800000000, 0.0000608600000000 ] - [ -0.0000528100000000, -0.0004514100000000, 0.0000863800000000 ] - [ 0.0007858300000000, 0.0000034300000000, -0.0000105200000000 ] - [ -0.0000468200000000, 0.0000102700000000, -0.0000290600000000 ] - [ -0.0031022400000000, 0.0000000000000000, 0.0044266500000000 ] - [ 0.0001912500000000, 0.0002674000000000, 0.0001563400000000 ] - [ 0.0000585800000000, 0.0000452000000000, 0.0000514800000000 ] - [ -0.0049894500000000, 0.0000000000000000, -0.0001192300000000 ] - [ 0.0000585800000000, -0.0000452000000000, 0.0000514800000000 ] - [ -0.0001061300000000, 0.0001154000000000, -0.0000924900000000 ] - [ 0.0003796300000000, -0.0000925400000000, -0.0001841200000000 ] - [ -0.0000468200000000, -0.0000102700000000, -0.0000290600000000 ] - [ 0.0003193700000000, 0.0000000000000000, 0.0002076200000000 ] - [ 0.0311074100000000, 0.0000000000000000, -0.0062717100000000 ] - [ 0.0001356300000000, 0.0000000000000000, -0.0001316500000000 ] - [ 0.0003372400000000, -0.0001221900000000, 0.0001755400000000 ] - [ -0.0021349000000000, 0.0000000000000000, 0.0007238900000000 ] - [ 0.0001912500000000, -0.0002674000000000, 0.0001563400000000 ] - [ -0.0000422200000000, 0.0000536100000000, -0.0000078400000000 ] - [ 0.0007858300000000, -0.0000034300000000, -0.0000105200000000 ] - [ -0.0001089200000000, 0.0001121900000000, -0.0000273000000000 ] - [ -0.0008573100000000, 0.0006530900000000, 0.0006755900000000 ] - [ -0.0005349100000000, -0.0009963900000000, -0.0012382700000000 ] - [ -0.0004741200000000, 0.0010866900000000, 0.0001076300000000 ] - [ 0.0003007400000000, 0.0000000000000000, -0.0002070200000000 ] - [ 0.0001263400000000, 0.0000000000000000, 0.0001332500000000 ] - [ 0.0003372400000000, 0.0001221900000000, 0.0001755400000000 ] - [ -0.0000626900000000, 0.0016570300000000, -0.0005172800000000 ] - [ -0.0001972100000000, -0.0000252900000000, 0.0000493500000000 ] - [ -0.0001716900000000, 0.0000460400000000, -0.0000841200000000 ] - [ -0.0000223300000000, 0.0002368400000000, -0.0000706500000000 ] - [ -0.0016345500000000, 0.0000000000000000, 0.0029963100000000 ] - [ -0.0000223300000000, -0.0002368400000000, -0.0000706500000000 ] - [ -0.0000528100000000, 0.0004514100000000, 0.0000863800000000 ] - [ 0.0010476600000000, 0.0000000000000000, -0.0000583600000000 ] - [ -0.0001972100000000, 0.0000252900000000, 0.0000493500000000 ] - [ -0.0000626900000000, -0.0016570300000000, -0.0005172800000000 ] - [ 0.0001106500000000, 0.0002061100000000, -0.0000279000000000 ] - [ -0.0001716900000000, -0.0000460400000000, -0.0000841200000000 ] - [ -0.0004741200000000, -0.0010866900000000, 0.0001076300000000 ] - [ 0.0001106500000000, -0.0002061100000000, -0.0000279000000000 ] - [ 0.0000329400000000, 0.0000000000000000, 0.0001304700000000 ] - [ -0.0001061300000000, -0.0001154000000000, -0.0000924900000000 ] - [ 0.0000717600000000, 0.0000000000000000, -0.0001246500000000 ] - [ -0.0001495100000000, 0.0001253900000000, 0.0000271800000000 ] - [ -0.0001089200000000, -0.0001121900000000, -0.0000273000000000 ] - [ -0.0002122300000000, 0.0003215800000000, 0.0000608600000000 ] - [ -0.0000422200000000, -0.0000536100000000, -0.0000078400000000 ] - [ -0.0001495100000000, -0.0001253900000000, 0.0000271800000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006605100000000, 0.0084986200000000, 0.0051928000000000 ] - [ 0.0001021600000000, -0.0007344900000000, 0.0001052700000000 ] - [ 0.0001876600000000, 0.0006328100000000, -0.0000265500000000 ] - [ 0.0000375300000000, -0.0009952800000000, -0.0004891600000000 ] - [ -0.0000281400000000, -0.0010013000000000, 0.0001486100000000 ] - [ 0.0000693200000000, -0.0005287000000000, 0.0000842900000000 ] - [ -0.0000729900000000, -0.0004025200000000, -0.0001524400000000 ] - [ 0.0001649000000000, -0.0006579300000000, -0.0000738600000000 ] - [ 0.0004218300000000, -0.0001195300000000, 0.0003550700000000 ] - [ 0.0001705600000000, 0.0029771800000000, -0.0001208600000000 ] - [ -0.0001545500000000, -0.0005978300000000, 0.0001210400000000 ] - [ 0.0005333800000000, 0.0076619700000000, -0.0052142900000000 ] - [ 0.0001276600000000, -0.0010091100000000, -0.0001266800000000 ] - [ -0.0001544900000000, -0.0007265500000000, -0.0001209800000000 ] - [ -0.0003124000000000, -0.0001936300000000, -0.0003886400000000 ] - [ -0.0002334400000000, -0.0009522400000000, 0.0001310600000000 ] - [ 0.0002600800000000, 0.0009910900000000, -0.0001099200000000 ] - [ 0.0003071800000000, 0.0029567800000000, 0.0002006500000000 ] - [ -0.0002258700000000, -0.0005051700000000, 0.0002038000000000 ] - [ 0.0000281100000000, -0.0004649500000000, 0.0001527500000000 ] - [ -0.0002431600000000, 0.0012483900000000, 0.0003079600000000 ] - [ -0.0004369500000000, 0.0032589700000000, -0.0001175000000000 ] - [ -0.0002264900000000, -0.0000753600000000, 0.0000021200000000 ] - [ 0.0000817800000000, -0.0003947000000000, 0.0001306900000000 ] - [ -0.0004313100000000, 0.0007752900000000, -0.0000816700000000 ] - [ 0.0001606100000000, 0.0030428600000000, 0.0001236300000000 ] - [ 0.0000054900000000, -0.0008645900000000, -0.0001159900000000 ] - [ 0.0005124200000000, -0.0001497500000000, 0.0000328600000000 ] - [ 0.0003764600000000, 0.0000966700000000, 0.0008002400000000 ] - [ -0.0004011600000000, -0.0003915500000000, -0.0005390600000000 ] - [ 0.0000753000000000, -0.0006893200000000, 0.0000746600000000 ] - [ -0.0000988400000000, -0.0001803800000000, 0.0000145400000000 ] - [ 0.0002409700000000, -0.0006909500000000, 0.0001199200000000 ] - [ 0.0000753200000000, -0.0007889100000000, -0.0000744900000000 ] - [ -0.0000729700000000, 0.0027305800000000, -0.0000731000000000 ] - [ 0.0013395700000000, -0.0012594500000000, -0.0000286800000000 ] - [ 0.0001257200000000, -0.0006637000000000, -0.0002724600000000 ] - [ -0.0013735100000000, -0.0007758300000000, -0.0002312600000000 ] - [ -0.0000805500000000, 0.0006401000000000, 0.0000673000000000 ] - [ -0.0002159100000000, -0.0011777000000000, 0.0001370100000000 ] - [ -0.0013827500000000, -0.0010122500000000, -0.0009005400000000 ] - [ -0.0002103300000000, -0.0009441700000000, 0.0000608200000000 ] - [ 0.0003598300000000, 0.0007645200000000, -0.0002048300000000 ] - [ 0.0013747600000000, 0.0005598900000000, 0.0002383400000000 ] - [ 0.0000971600000000, 0.0003204100000000, 0.0002263500000000 ] - [ 0.0005394900000000, 0.0022057900000000, 0.0001546300000000 ] - [ -0.0000810300000000, 0.0003435000000000, -0.0000180300000000 ] - [ -0.0000559300000000, -0.0009439800000000, 0.0001368600000000 ] - [ -0.0000332200000000, 0.0012052200000000, 0.0000211300000000 ] - [ -0.0000190900000000, 0.0007574900000000, 0.0002263800000000 ] - [ -0.0003106800000000, -0.0005612200000000, -0.0002018300000000 ] - [ -0.0000260900000000, 0.0005625100000000, -0.0000666600000000 ] - [ -0.0000521900000000, 0.0003296600000000, -0.0001265100000000 ] - [ 0.0003553600000000, 0.0005466400000000, -0.0001606600000000 ] - [ -0.0001355400000000, 0.0004840100000000, -0.0000270200000000 ] - [ 0.0003103400000000, 0.0004437600000000, 0.0002065900000000 ] - [ -0.0001211500000000, -0.0307371800000000, -0.0002902600000000 ] - [ 0.0001309000000000, 0.0005995100000000, -0.0001323200000000 ] - [ 0.0004122500000000, 0.0004721600000000, 0.0001673500000000 ] - [ -0.0001309700000000, -0.0007900200000000, 0.0001318100000000 ] - [ 0.0000004900000000, 0.0009953000000000, 0.0001265400000000 ] - [ -0.0000226700000000, 0.0008183600000000, -0.0000294000000000 ] - [ -0.0003206500000000, 0.0023286400000000, -0.0001075300000000 ] - [ -0.0000554300000000, 0.0005600100000000, 0.0000263500000000 ] - [ -0.0005032500000000, -0.0011556400000000, 0.0003041800000000 ] - [ 0.0006635400000000, -0.0012215300000000, 0.0005397800000000 ] - [ -0.0003876000000000, -0.0003848200000000, -0.0003898300000000 ] - [ 0.0003107100000000, 0.0004518000000000, -0.0002066400000000 ] - [ 0.0001312100000000, 0.0006067300000000, 0.0001322000000000 ] - [ 0.0003033000000000, 0.0006899500000000, 0.0001983000000000 ] - [ -0.0014941900000000, 0.0009045800000000, -0.0009333800000000 ] - [ -0.0001169400000000, -0.0002459400000000, -0.0001010000000000 ] - [ 0.0000114400000000, 0.0003625500000000, -0.0000452800000000 ] - [ -0.0007140100000000, 0.0002142900000000, -0.0001246800000000 ] - [ -0.0000439800000000, -0.0020770300000000, -0.0001369900000000 ] - [ 0.0007620500000000, 0.0004100600000000, -0.0000348500000000 ] - [ -0.0000654900000000, 0.0005310600000000, -0.0000785900000000 ] - [ -0.0003112400000000, -0.0024146400000000, 0.0002015200000000 ] - [ 0.0003330700000000, -0.0001023500000000, 0.0000555000000000 ] - [ 0.0016575900000000, 0.0007070800000000, 0.0009246900000000 ] - [ -0.0002597300000000, 0.0005450700000000, -0.0002031600000000 ] - [ -0.0000442100000000, 0.0001480500000000, -0.0001024100000000 ] - [ 0.0005412900000000, -0.0001826400000000, 0.0004046300000000 ] - [ 0.0002937700000000, 0.0007567500000000, 0.0000556800000000 ] - [ 0.0000518800000000, 0.0004312700000000, 0.0001265800000000 ] - [ 0.0000070700000000, 0.0001324700000000, -0.0000339200000000 ] - [ 0.0000518000000000, 0.0005182800000000, -0.0001267500000000 ] - [ -0.0002589400000000, 0.0004721500000000, 0.0000910000000000 ] - [ -0.0000990500000000, 0.0003645800000000, -0.0000428200000000 ] - [ -0.0013336700000000, 0.0007563600000000, -0.0000803600000000 ] - [ -0.0001316900000000, 0.0006212600000000, 0.0000458600000000 ] - [ 0.0000416100000000, 0.0003317600000000, -0.0000454700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006747200000000, 0.0053530400000000, 0.0073406200000000 ] - [ 0.0000972900000000, -0.0001118800000000, 0.0001052800000000 ] - [ 0.0001015400000000, -0.0007331300000000, 0.0006392600000000 ] - [ -0.0001984200000000, -0.0001687500000000, -0.0001582500000000 ] - [ 0.0000426400000000, -0.0002987900000000, 0.0001382800000000 ] - [ 0.0000972900000000, 0.0001118800000000, 0.0001052800000000 ] - [ 0.0000210700000000, 0.0003214600000000, -0.0001426000000000 ] - [ 0.0000758200000000, 0.0001105500000000, -0.0000867200000000 ] - [ 0.0001208300000000, -0.0000646700000000, -0.0000474200000000 ] - [ 0.0024043400000000, 0.0000000000000000, 0.0030044400000000 ] - [ -0.0001469800000000, 0.0000000000000000, 0.0001199100000000 ] - [ -0.0006747200000000, -0.0053530400000000, 0.0073406200000000 ] - [ 0.0000210700000000, -0.0003214600000000, -0.0001426000000000 ] - [ -0.0001710600000000, 0.0000000000000000, -0.0001268900000000 ] - [ 0.0000555400000000, -0.0002995100000000, -0.0002121700000000 ] - [ -0.0001984200000000, 0.0001687500000000, -0.0001582500000000 ] - [ 0.0002616300000000, 0.0000756000000000, -0.0006325600000000 ] - [ -0.0000590200000000, -0.0000734300000000, 0.0022236200000000 ] - [ -0.0000131400000000, 0.0000551100000000, 0.0002348200000000 ] - [ -0.0000131400000000, -0.0000551100000000, 0.0002348200000000 ] - [ 0.0001015400000000, 0.0007331300000000, 0.0006392600000000 ] - [ -0.0000590200000000, 0.0000734300000000, 0.0022236200000000 ] - [ 0.0001208300000000, 0.0000646700000000, -0.0000474200000000 ] - [ 0.0000426400000000, 0.0002987900000000, 0.0001382800000000 ] - [ 0.0002616300000000, -0.0000756000000000, -0.0006325600000000 ] - [ -0.0021283700000000, 0.0000000000000000, 0.0006824800000000 ] - [ 0.0000758200000000, -0.0001105500000000, -0.0000867200000000 ] - [ 0.0000555400000000, 0.0002995100000000, -0.0002121700000000 ] - [ 0.0001135700000000, 0.0002775500000000, 0.0009220400000000 ] - [ 0.0001135700000000, -0.0002775500000000, 0.0009220400000000 ] - [ 0.0000788700000000, 0.0000000000000000, 0.0000821600000000 ] - [ 0.0000798000000000, 0.0002538800000000, -0.0001672200000000 ] - [ 0.0000274000000000, 0.0002311700000000, 0.0003036900000000 ] - [ 0.0000730400000000, 0.0000000000000000, -0.0000711900000000 ] - [ 0.0001296200000000, 0.0000000000000000, -0.0040368600000000 ] - [ -0.0000253800000000, -0.0000221200000000, 0.0006522500000000 ] - [ 0.0000798000000000, -0.0002538800000000, -0.0001672200000000 ] - [ -0.0000253800000000, 0.0000221200000000, 0.0006522500000000 ] - [ -0.0007077800000000, 0.0000000000000000, -0.0016788100000000 ] - [ 0.0000274000000000, -0.0002311700000000, 0.0003036900000000 ] - [ 0.0008259700000000, -0.0006681400000000, 0.0016280000000000 ] - [ -0.0004779200000000, 0.0001344100000000, 0.0006352900000000 ] - [ 0.0003597000000000, 0.0001011400000000, -0.0001754600000000 ] - [ -0.0011673000000000, -0.0008625700000000, 0.0000410300000000 ] - [ 0.0000339600000000, -0.0000972200000000, -0.0000161200000000 ] - [ 0.0002368100000000, -0.0001441400000000, -0.0009739500000000 ] - [ -0.0000969300000000, -0.0000539700000000, -0.0000037500000000 ] - [ -0.0026558400000000, 0.0000000000000000, 0.0019349100000000 ] - [ 0.0001186900000000, 0.0004213600000000, 0.0003021700000000 ] - [ -0.0000313800000000, 0.0000780000000000, 0.0000816400000000 ] - [ -0.0013704200000000, 0.0000000000000000, 0.0005861900000000 ] - [ -0.0000313800000000, -0.0000780000000000, 0.0000816400000000 ] - [ -0.0000353500000000, 0.0000984100000000, -0.0000839900000000 ] - [ 0.0003597000000000, -0.0001011400000000, -0.0001754600000000 ] - [ -0.0000969300000000, 0.0000539700000000, -0.0000037500000000 ] - [ 0.0003134900000000, 0.0000000000000000, 0.0002106000000000 ] - [ 0.0060939100000000, 0.0000000000000000, -0.0304440100000000 ] - [ 0.0001315200000000, 0.0000000000000000, -0.0001366900000000 ] - [ 0.0003601000000000, -0.0001115700000000, 0.0001780100000000 ] - [ 0.0004588500000000, 0.0000000000000000, -0.0007683200000000 ] - [ 0.0001186900000000, -0.0004213600000000, 0.0003021700000000 ] - [ -0.0000708300000000, 0.0000135400000000, 0.0000068200000000 ] - [ 0.0002368100000000, 0.0001441400000000, -0.0009739500000000 ] - [ -0.0000889800000000, 0.0000926500000000, -0.0000037700000000 ] - [ -0.0004779200000000, -0.0001344100000000, 0.0006352900000000 ] - [ 0.0008259700000000, 0.0006681400000000, 0.0016280000000000 ] - [ -0.0001071200000000, -0.0002488000000000, -0.0002187500000000 ] - [ 0.0003078700000000, 0.0000000000000000, -0.0002026700000000 ] - [ 0.0001301600000000, 0.0000000000000000, 0.0001244600000000 ] - [ 0.0003601000000000, 0.0001115700000000, 0.0001780100000000 ] - [ 0.0008529500000000, -0.0006915300000000, -0.0000945800000000 ] - [ -0.0000640800000000, -0.0001728900000000, -0.0002541700000000 ] - [ -0.0000801800000000, 0.0001347200000000, 0.0000363200000000 ] - [ -0.0003847600000000, 0.0004271400000000, -0.0005577200000000 ] - [ -0.0028364400000000, 0.0000000000000000, 0.0027642000000000 ] - [ -0.0003847600000000, -0.0004271400000000, -0.0005577200000000 ] - [ 0.0000339600000000, 0.0000972200000000, -0.0000161200000000 ] - [ -0.0003583500000000, 0.0000000000000000, 0.0048977700000000 ] - [ -0.0000640800000000, 0.0001728900000000, -0.0002541700000000 ] - [ 0.0008529500000000, 0.0006915300000000, -0.0000945800000000 ] - [ -0.0000108200000000, -0.0001591900000000, -0.0001756600000000 ] - [ -0.0000801800000000, -0.0001347200000000, 0.0000363200000000 ] - [ -0.0001071200000000, 0.0002488000000000, -0.0002187500000000 ] - [ -0.0000108200000000, 0.0001591900000000, -0.0001756600000000 ] - [ 0.0000477500000000, 0.0000000000000000, 0.0001283000000000 ] - [ -0.0000353500000000, -0.0000984100000000, -0.0000839900000000 ] - [ 0.0000562500000000, 0.0000000000000000, -0.0001263100000000 ] - [ -0.0001241700000000, 0.0001442400000000, 0.0000638700000000 ] - [ -0.0000889800000000, -0.0000926500000000, -0.0000037700000000 ] - [ -0.0011673000000000, 0.0008625700000000, 0.0000410300000000 ] - [ -0.0000708300000000, -0.0000135400000000, 0.0000068200000000 ] - [ -0.0001241700000000, -0.0001442400000000, 0.0000638700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005606100000000, -0.0045089900000000, -0.0074494200000000 ] - [ 0.0000737100000000, -0.0000946300000000, 0.0000831000000000 ] - [ -0.0001566700000000, 0.0001249300000000, -0.0003613200000000 ] - [ 0.0000018200000000, 0.0001281000000000, -0.0001968100000000 ] - [ 0.0000112000000000, -0.0003081900000000, 0.0001404200000000 ] - [ 0.0000737100000000, 0.0000946300000000, 0.0000831000000000 ] - [ 0.0000327900000000, 0.0002856800000000, -0.0001359500000000 ] - [ 0.0000948500000000, 0.0000961300000000, -0.0001018800000000 ] - [ 0.0000751600000000, 0.0000237600000000, 0.0004059900000000 ] - [ -0.0021133400000000, 0.0000000000000000, -0.0032503700000000 ] - [ -0.0001625900000000, 0.0000000000000000, 0.0001221200000000 ] - [ 0.0005606100000000, 0.0045089900000000, -0.0074494200000000 ] - [ 0.0000327900000000, -0.0002856800000000, -0.0001359500000000 ] - [ -0.0001384000000000, 0.0000000000000000, -0.0001151100000000 ] - [ 0.0001412800000000, 0.0002595100000000, -0.0001472200000000 ] - [ 0.0000018200000000, -0.0001281000000000, -0.0001968100000000 ] - [ -0.0004312400000000, 0.0001329800000000, 0.0004445300000000 ] - [ -0.0000610300000000, -0.0002382300000000, -0.0021480000000000 ] - [ -0.0001838500000000, -0.0000955000000000, 0.0001218900000000 ] - [ -0.0001838500000000, 0.0000955000000000, 0.0001218900000000 ] - [ -0.0001566700000000, -0.0001249300000000, -0.0003613200000000 ] - [ -0.0000610300000000, 0.0002382300000000, -0.0021480000000000 ] - [ 0.0000751600000000, -0.0000237600000000, 0.0004059900000000 ] - [ 0.0000112000000000, 0.0003081900000000, 0.0001404200000000 ] - [ -0.0004312400000000, -0.0001329800000000, 0.0004445300000000 ] - [ 0.0024782300000000, 0.0000000000000000, -0.0004072500000000 ] - [ 0.0000948500000000, -0.0000961300000000, -0.0001018800000000 ] - [ 0.0001412800000000, -0.0002595100000000, -0.0001472200000000 ] - [ -0.0001394800000000, 0.0002097300000000, -0.0006585400000000 ] - [ -0.0001394800000000, -0.0002097300000000, -0.0006585400000000 ] - [ 0.0000719300000000, 0.0000000000000000, 0.0000672200000000 ] - [ -0.0000534500000000, 0.0002308800000000, -0.0000901000000000 ] - [ -0.0000017100000000, 0.0002565200000000, -0.0000479700000000 ] - [ 0.0000773900000000, 0.0000000000000000, -0.0000778700000000 ] - [ -0.0002553400000000, 0.0000000000000000, 0.0038964000000000 ] - [ 0.0000032600000000, -0.0004646300000000, -0.0009125200000000 ] - [ -0.0000534500000000, -0.0002308800000000, -0.0000901000000000 ] - [ 0.0000032600000000, 0.0004646300000000, -0.0009125200000000 ] - [ 0.0005534200000000, 0.0000000000000000, 0.0018251100000000 ] - [ -0.0000017100000000, -0.0002565200000000, -0.0000479700000000 ] - [ -0.0015540700000000, 0.0008927300000000, -0.0019967100000000 ] - [ -0.0002355600000000, 0.0000819800000000, -0.0002696700000000 ] - [ 0.0003561800000000, 0.0001175400000000, -0.0001901400000000 ] - [ 0.0012084600000000, 0.0006655300000000, 0.0001195300000000 ] - [ -0.0000013900000000, -0.0001160800000000, 0.0001625800000000 ] - [ -0.0000218200000000, -0.0000032600000000, 0.0010180200000000 ] - [ -0.0001190000000000, -0.0000868600000000, -0.0000410300000000 ] - [ 0.0025677100000000, 0.0000000000000000, -0.0016717400000000 ] - [ -0.0001518800000000, -0.0002112000000000, -0.0001555700000000 ] - [ -0.0000142300000000, 0.0001188100000000, 0.0000804300000000 ] - [ 0.0007631900000000, 0.0000000000000000, -0.0009940200000000 ] - [ -0.0000142300000000, -0.0001188100000000, 0.0000804300000000 ] - [ -0.0000103500000000, 0.0000979400000000, -0.0000774600000000 ] - [ 0.0003561800000000, -0.0001175400000000, -0.0001901400000000 ] - [ -0.0001190000000000, 0.0000868600000000, -0.0000410300000000 ] - [ 0.0003062600000000, 0.0000000000000000, 0.0002024400000000 ] - [ -0.0063725300000000, 0.0000000000000000, 0.0300126600000000 ] - [ 0.0001300700000000, 0.0000000000000000, -0.0001278800000000 ] - [ 0.0003558600000000, -0.0001068800000000, 0.0001879700000000 ] - [ -0.0007183200000000, 0.0000000000000000, 0.0010308900000000 ] - [ -0.0001518800000000, 0.0002112000000000, -0.0001555700000000 ] - [ -0.0000839200000000, 0.0001836100000000, 0.0000092600000000 ] - [ -0.0000218200000000, 0.0000032600000000, 0.0010180200000000 ] - [ -0.0000656300000000, 0.0001037500000000, -0.0000126900000000 ] - [ -0.0002355600000000, -0.0000819800000000, -0.0002696700000000 ] - [ -0.0015540700000000, -0.0008927300000000, -0.0019967100000000 ] - [ 0.0002648700000000, 0.0000461300000000, 0.0002339400000000 ] - [ 0.0003124300000000, 0.0000000000000000, -0.0002109100000000 ] - [ 0.0001316800000000, 0.0000000000000000, 0.0001400400000000 ] - [ 0.0003558600000000, 0.0001068800000000, 0.0001879700000000 ] - [ -0.0007013000000000, 0.0008940000000000, 0.0000755000000000 ] - [ 0.0002797300000000, 0.0000316000000000, 0.0002083700000000 ] - [ 0.0000471100000000, 0.0000796300000000, -0.0001832200000000 ] - [ 0.0004332400000000, -0.0006256300000000, 0.0003999900000000 ] - [ 0.0027204600000000, 0.0000000000000000, -0.0030212800000000 ] - [ 0.0004332400000000, 0.0006256300000000, 0.0003999900000000 ] - [ -0.0000013900000000, 0.0001160800000000, 0.0001625800000000 ] - [ -0.0002654400000000, 0.0000000000000000, -0.0044673400000000 ] - [ 0.0002797300000000, -0.0000316000000000, 0.0002083700000000 ] - [ -0.0007013000000000, -0.0008940000000000, 0.0000755000000000 ] - [ 0.0000427800000000, -0.0000534400000000, 0.0000282200000000 ] - [ 0.0000471100000000, -0.0000796300000000, -0.0001832200000000 ] - [ 0.0002648700000000, -0.0000461300000000, 0.0002339400000000 ] - [ 0.0000427800000000, 0.0000534400000000, 0.0000282200000000 ] - [ 0.0000563400000000, 0.0000000000000000, 0.0001258200000000 ] - [ -0.0000103500000000, -0.0000979400000000, -0.0000774600000000 ] - [ 0.0000478900000000, 0.0000000000000000, -0.0001280900000000 ] - [ -0.0000918800000000, -0.0000034900000000, -0.0000189400000000 ] - [ -0.0000656300000000, -0.0001037500000000, -0.0000126900000000 ] - [ 0.0012084600000000, -0.0006655300000000, 0.0001195300000000 ] - [ -0.0000839200000000, -0.0001836100000000, 0.0000092600000000 ] - [ -0.0000918800000000, 0.0000034900000000, -0.0000189400000000 ]- atom: 62 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000875500000000, 0.0001907000000000, -0.0001447600000000 ] - [ -0.0002166400000000, 0.0003165400000000, -0.0001374500000000 ] - [ -0.0000419700000000, -0.0003264700000000, 0.0001319700000000 ] - [ 0.0020242700000000, 0.0030318800000000, 0.0024948200000000 ] - [ 0.0121828000000000, 0.0019616600000000, 0.0013689400000000 ] - [ -0.0002638900000000, 0.0000965800000000, 0.0001107700000000 ] - [ -0.0000254600000000, 0.0005050400000000, -0.0001145500000000 ] - [ 0.0004196500000000, -0.0001307500000000, -0.0002387500000000 ] - [ 0.0001266600000000, -0.0000675100000000, 0.0001857900000000 ] - [ 0.0001392300000000, -0.0000602100000000, -0.0001306700000000 ] - [ -0.0008273900000000, 0.0000030300000000, -0.0001908700000000 ] - [ -0.0000173900000000, -0.0003331700000000, -0.0001481900000000 ] - [ -0.0020177500000000, 0.0003058100000000, 0.0015491700000000 ] - [ 0.0003437900000000, -0.0022303300000000, -0.0001623100000000 ] - [ 0.0000763600000000, -0.0000362300000000, -0.0001731900000000 ] - [ -0.0001147400000000, 0.0001145400000000, -0.0002016800000000 ] - [ -0.0001674400000000, -0.0000736400000000, -0.0001875400000000 ] - [ -0.0000546700000000, -0.0001226500000000, 0.0001072200000000 ] - [ -0.0012348700000000, 0.0003254600000000, -0.0005243200000000 ] - [ -0.0001109400000000, -0.0000647300000000, 0.0001809500000000 ] - [ -0.0002266200000000, 0.0002337400000000, 0.0002113700000000 ] - [ 0.0001045800000000, 0.0001230800000000, 0.0001360100000000 ] - [ -0.0004831200000000, 0.0008914300000000, 0.0005278100000000 ] - [ 0.0001009600000000, -0.0001307500000000, 0.0003188400000000 ] - [ -0.0001098600000000, -0.0001355500000000, -0.0000901200000000 ] - [ 0.0001725100000000, 0.0000398600000000, 0.0001214000000000 ] - [ 0.0009739500000000, -0.0004183800000000, -0.0009570300000000 ] - [ 0.0003299700000000, -0.0004135100000000, -0.0000035800000000 ] - [ -0.0003612700000000, 0.0000630900000000, 0.0000244700000000 ] - [ -0.0000351400000000, -0.0002642800000000, 0.0001301000000000 ] - [ 0.0002260800000000, -0.0000515500000000, 0.0005162600000000 ] - [ -0.0000825900000000, 0.0001920400000000, -0.0001533200000000 ] - [ 0.0001668100000000, 0.0002784800000000, 0.0002999000000000 ] - [ 0.0000784200000000, -0.0007424200000000, 0.0002330500000000 ] - [ -0.0000621800000000, -0.0000514900000000, -0.0000733200000000 ] - [ 0.0000123600000000, -0.0002811300000000, -0.0001217600000000 ] - [ -0.0020319000000000, 0.0007254700000000, 0.0007424200000000 ] - [ 0.0011950900000000, 0.0013628200000000, -0.0001948400000000 ] - [ -0.0001056400000000, 0.0000307500000000, 0.0000633400000000 ] - [ 0.0093883900000000, -0.0104861300000000, 0.0109156300000000 ] - [ -0.0004147600000000, 0.0001381600000000, -0.0001656200000000 ] - [ -0.0002616500000000, 0.0000476000000000, 0.0001612900000000 ] - [ 0.0004366000000000, -0.0001697700000000, -0.0000628600000000 ] - [ 0.0000348900000000, -0.0000939900000000, 0.0000814600000000 ] - [ 0.0000414800000000, -0.0000845200000000, 0.0000691100000000 ] - [ -0.0002925500000000, 0.0003421900000000, 0.0002971000000000 ] - [ -0.0001820100000000, 0.0000458100000000, -0.0000574200000000 ] - [ -0.0000446000000000, -0.0000216800000000, 0.0001293500000000 ] - [ -0.0000470500000000, 0.0000566400000000, 0.0000499700000000 ] - [ -0.0000977300000000, 0.0000970600000000, 0.0000617400000000 ] - [ -0.0002828100000000, 0.0000190800000000, -0.0002059400000000 ] - [ -0.0009348800000000, 0.0009722600000000, -0.0027291700000000 ] - [ 0.0000500400000000, 0.0001809000000000, -0.0000732800000000 ] - [ 0.0011095500000000, -0.0004646700000000, 0.0013670800000000 ] - [ 0.0032862000000000, -0.0030100300000000, 0.0047547200000000 ] - [ 0.0006811800000000, -0.0002586800000000, 0.0003069500000000 ] - [ -0.0001661600000000, 0.0000552500000000, -0.0001259300000000 ] - [ 0.0006850000000000, -0.0004652800000000, 0.0000530400000000 ] - [ 0.0005192300000000, -0.0001856600000000, 0.0001552400000000 ] - [ -0.0000990800000000, 0.0000216100000000, 0.0001441200000000 ] - [ -0.0011064600000000, 0.0003356200000000, -0.0000377400000000 ] - [ -0.0311795300000000, 0.0072866400000000, -0.0175151700000000 ] - [ 0.0000954500000000, 0.0000807200000000, 0.0000207800000000 ] - [ 0.0013794600000000, -0.0002891100000000, -0.0003336700000000 ] - [ -0.0003580900000000, -0.0001042000000000, 0.0001828100000000 ] - [ -0.0003566400000000, -0.0000766400000000, -0.0001843300000000 ] - [ 0.0000899300000000, 0.0000124600000000, -0.0000350000000000 ] - [ 0.0002062700000000, 0.0003788800000000, -0.0004808400000000 ] - [ 0.0002655800000000, 0.0015779200000000, 0.0009110600000000 ] - [ 0.0004164700000000, 0.0002087500000000, 0.0001678700000000 ] - [ 0.0000598700000000, 0.0001189600000000, -0.0000047600000000 ] - [ 0.0002722700000000, -0.0002036600000000, 0.0000275000000000 ] - [ 0.0000019300000000, 0.0001489700000000, -0.0000635500000000 ] - [ 0.0000093800000000, -0.0000667300000000, -0.0000711200000000 ] - [ -0.0000615600000000, 0.0000492700000000, -0.0001263600000000 ] - [ 0.0000645500000000, -0.0006502200000000, -0.0004457500000000 ] - [ 0.0004350900000000, 0.0001218700000000, 0.0001840000000000 ] - [ -0.0003269900000000, 0.0000292300000000, 0.0002177800000000 ] - [ 0.0001264200000000, 0.0000982000000000, -0.0000273300000000 ] - [ -0.0001165400000000, -0.0003117100000000, 0.0000333800000000 ] - [ -0.0000075300000000, -0.0000567000000000, -0.0000732500000000 ] - [ 0.0010925400000000, 0.0007840700000000, -0.0007876700000000 ] - [ 0.0000864200000000, 0.0001241400000000, 0.0000086500000000 ] - [ -0.0005410400000000, -0.0015036100000000, -0.0007245600000000 ] - [ 0.0008352200000000, 0.0010961400000000, -0.0005464300000000 ] - [ 0.0023352700000000, -0.0011378700000000, 0.0002211300000000 ] - [ 0.0000320500000000, -0.0002360400000000, -0.0003293300000000 ] - [ 0.0028159500000000, 0.0007487800000000, -0.0007465300000000 ] - [ 0.0000080700000000, -0.0000422500000000, -0.0000012800000000 ] - [ 0.0001997200000000, 0.0004036900000000, 0.0000839000000000 ] - [ -0.0003069300000000, -0.0004320800000000, -0.0001820000000000 ] - [ -0.0000454500000000, -0.0000868700000000, 0.0000248500000000 ]- atom: 62 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001427400000000, 0.0004131200000000, -0.0001364000000000 ] - [ 0.0003755100000000, -0.0005210600000000, 0.0003244900000000 ] - [ -0.0000120200000000, -0.0002804300000000, 0.0001470200000000 ] - [ -0.0022226200000000, -0.0031091300000000, -0.0028829900000000 ] - [ -0.0115759100000000, -0.0024117900000000, -0.0011011800000000 ] - [ 0.0004319800000000, 0.0001070900000000, 0.0000782100000000 ] - [ 0.0000772900000000, 0.0001014600000000, -0.0001643700000000 ] - [ -0.0002486000000000, 0.0003383400000000, 0.0000478100000000 ] - [ 0.0000707300000000, 0.0000257800000000, 0.0001711800000000 ] - [ 0.0001692900000000, 0.0000597100000000, -0.0001109100000000 ] - [ 0.0005165100000000, -0.0000074600000000, 0.0004311100000000 ] - [ -0.0000370600000000, -0.0002746700000000, -0.0001309100000000 ] - [ 0.0020545300000000, -0.0009069900000000, -0.0018262700000000 ] - [ -0.0006413500000000, 0.0022179800000000, -0.0000896300000000 ] - [ 0.0001205300000000, -0.0000057400000000, -0.0001836300000000 ] - [ -0.0000826200000000, -0.0000742800000000, -0.0001550500000000 ] - [ -0.0000057400000000, 0.0002825400000000, 0.0000003400000000 ] - [ -0.0001158600000000, -0.0000847700000000, 0.0000820900000000 ] - [ 0.0010399100000000, -0.0003648600000000, 0.0008797900000000 ] - [ -0.0000862200000000, 0.0001047600000000, 0.0001760400000000 ] - [ 0.0001733600000000, 0.0003761000000000, 0.0000646700000000 ] - [ -0.0002727200000000, 0.0000786900000000, 0.0000565600000000 ] - [ 0.0006911600000000, -0.0008422400000000, -0.0001699400000000 ] - [ -0.0000437200000000, 0.0007371000000000, -0.0000390700000000 ] - [ -0.0000613600000000, -0.0000713100000000, -0.0000993000000000 ] - [ 0.0001376900000000, -0.0000407600000000, 0.0001207200000000 ] - [ -0.0007892200000000, 0.0002171600000000, 0.0007664800000000 ] - [ -0.0001461700000000, 0.0004502300000000, -0.0003537200000000 ] - [ 0.0003317400000000, 0.0004204600000000, 0.0002381800000000 ] - [ 0.0000085600000000, -0.0002220900000000, 0.0001233000000000 ] - [ -0.0000619900000000, 0.0000437700000000, -0.0003609600000000 ] - [ 0.0001083000000000, 0.0002926700000000, -0.0000999300000000 ] - [ -0.0001403900000000, 0.0002073000000000, -0.0000375800000000 ] - [ 0.0000496800000000, 0.0007515600000000, -0.0003856700000000 ] - [ -0.0000883800000000, 0.0000500300000000, -0.0000767000000000 ] - [ -0.0000388400000000, -0.0002038900000000, -0.0001410100000000 ] - [ 0.0020372400000000, -0.0012316300000000, -0.0010147000000000 ] - [ -0.0012207700000000, -0.0008798900000000, -0.0000647000000000 ] - [ -0.0000451600000000, -0.0000303500000000, 0.0000849600000000 ] - [ -0.0094881400000000, 0.0099939800000000, -0.0106717400000000 ] - [ -0.0002995800000000, 0.0000826600000000, -0.0002001300000000 ] - [ -0.0004550500000000, 0.0001692200000000, 0.0002038600000000 ] - [ 0.0002819000000000, 0.0003878800000000, -0.0003022500000000 ] - [ 0.0000105300000000, -0.0001022500000000, 0.0000792700000000 ] - [ -0.0000086700000000, -0.0001275400000000, 0.0000784300000000 ] - [ 0.0005050700000000, -0.0004816300000000, -0.0002528800000000 ] - [ -0.0000347600000000, -0.0001864000000000, 0.0000127600000000 ] - [ -0.0000597300000000, 0.0000221000000000, 0.0001240900000000 ] - [ 0.0000142300000000, 0.0001566800000000, 0.0000980500000000 ] - [ 0.0000526300000000, 0.0000993300000000, 0.0000988600000000 ] - [ -0.0003379900000000, -0.0000193900000000, -0.0002073000000000 ] - [ 0.0008916800000000, -0.0011561700000000, 0.0028682800000000 ] - [ -0.0000958300000000, 0.0000166400000000, -0.0000873500000000 ] - [ -0.0003848300000000, 0.0002380900000000, -0.0017525500000000 ] - [ -0.0034694700000000, 0.0031372500000000, -0.0047599500000000 ] - [ -0.0000690700000000, 0.0002656100000000, 0.0001002400000000 ] - [ -0.0000956100000000, -0.0000537800000000, -0.0001388500000000 ] - [ -0.0004190600000000, 0.0004636100000000, -0.0003189200000000 ] - [ 0.0001925900000000, -0.0000286400000000, 0.0002079300000000 ] - [ -0.0001624900000000, -0.0000219800000000, 0.0001207100000000 ] - [ 0.0010680900000000, -0.0005301600000000, 0.0001767400000000 ] - [ 0.0306913400000000, -0.0071798900000000, 0.0176100500000000 ] - [ 0.0001209900000000, 0.0000601100000000, 0.0000243800000000 ] - [ -0.0015442600000000, 0.0004893600000000, 0.0003243000000000 ] - [ -0.0003576100000000, -0.0001134700000000, 0.0001828900000000 ] - [ -0.0003587600000000, -0.0001403700000000, -0.0001811800000000 ] - [ 0.0000661100000000, -0.0002087500000000, 0.0000524700000000 ] - [ 0.0003990300000000, -0.0003879800000000, 0.0000746200000000 ] - [ -0.0000103300000000, -0.0015739200000000, -0.0006432900000000 ] - [ 0.0002939000000000, 0.0000109500000000, 0.0001980600000000 ] - [ 0.0000946000000000, 0.0000777400000000, -0.0000114900000000 ] - [ -0.0000544600000000, 0.0000620500000000, -0.0000732300000000 ] - [ -0.0000348600000000, 0.0000649000000000, -0.0000836700000000 ] - [ 0.0000357600000000, -0.0001295900000000, -0.0000893500000000 ] - [ -0.0000419000000000, -0.0000487200000000, -0.0001271200000000 ] - [ -0.0000216400000000, 0.0008470800000000, 0.0002850600000000 ] - [ -0.0003936900000000, 0.0000926900000000, -0.0000357500000000 ] - [ -0.0002939500000000, -0.0000281900000000, 0.0001955100000000 ] - [ 0.0000901700000000, 0.0000427400000000, -0.0000178700000000 ] - [ 0.0002697900000000, 0.0001170700000000, -0.0000484700000000 ] - [ 0.0000399000000000, -0.0001556900000000, -0.0000750500000000 ] - [ -0.0011375300000000, -0.0010190600000000, 0.0006530600000000 ] - [ 0.0000683100000000, 0.0000727300000000, 0.0000080700000000 ] - [ 0.0005662200000000, 0.0017154700000000, 0.0005779800000000 ] - [ -0.0007226400000000, -0.0010796700000000, 0.0007935200000000 ] - [ -0.0023977200000000, 0.0009432300000000, -0.0003892000000000 ] - [ 0.0000775400000000, 0.0002307100000000, 0.0000722100000000 ] - [ -0.0030628700000000, -0.0006250000000000, 0.0007973200000000 ] - [ -0.0001623700000000, -0.0001527500000000, -0.0000153600000000 ] - [ -0.0001511900000000, -0.0002052800000000, 0.0000764100000000 ] - [ 0.0001519400000000, 0.0002371400000000, 0.0001989400000000 ] - [ -0.0001707900000000, -0.0000532500000000, 0.0000205300000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002814700000000, -0.0006950100000000, -0.0005548600000000 ] - [ 0.0003539500000000, 0.0014230500000000, -0.0000512900000000 ] - [ -0.0000222800000000, -0.0009574200000000, 0.0001549000000000 ] - [ 0.0022423500000000, 0.0070093100000000, 0.0046939600000000 ] - [ 0.0012233900000000, 0.0031322500000000, 0.0002621000000000 ] - [ 0.0003231600000000, -0.0003579500000000, -0.0000047000000000 ] - [ 0.0003402800000000, -0.0004048500000000, -0.0000525300000000 ] - [ -0.0000710700000000, -0.0006197800000000, -0.0002282700000000 ] - [ 0.0000403000000000, -0.0006299200000000, 0.0002742100000000 ] - [ 0.0000687200000000, -0.0005433300000000, -0.0000662200000000 ] - [ -0.0003719700000000, 0.0006539400000000, 0.0000407000000000 ] - [ -0.0000475600000000, -0.0010431600000000, -0.0001188600000000 ] - [ 0.0016503600000000, 0.0018418500000000, -0.0009875300000000 ] - [ -0.0018590100000000, 0.0120570300000000, 0.0008707000000000 ] - [ 0.0001901500000000, -0.0006401100000000, -0.0002542000000000 ] - [ 0.0000161200000000, -0.0006781400000000, -0.0000308900000000 ] - [ -0.0001802000000000, -0.0002103700000000, -0.0000858600000000 ] - [ -0.0000684800000000, -0.0008587700000000, 0.0000713500000000 ] - [ 0.0003831000000000, 0.0005987500000000, 0.0003521900000000 ] - [ -0.0001212500000000, -0.0004499200000000, 0.0000832100000000 ] - [ 0.0001672200000000, -0.0001337300000000, 0.0001225100000000 ] - [ 0.0002027500000000, -0.0013683600000000, 0.0008382900000000 ] - [ 0.0015320200000000, 0.0000116400000000, -0.0000556900000000 ] - [ -0.0003792100000000, -0.0003218500000000, 0.0004229800000000 ] - [ -0.0000820800000000, -0.0007443600000000, -0.0001109900000000 ] - [ 0.0002184400000000, -0.0006329000000000, 0.0001286800000000 ] - [ -0.0004346000000000, 0.0021200000000000, -0.0007656500000000 ] - [ -0.0009308200000000, 0.0001900800000000, 0.0001252400000000 ] - [ -0.0002468200000000, 0.0003211900000000, -0.0002374700000000 ] - [ -0.0000036100000000, -0.0008682900000000, 0.0001334800000000 ] - [ -0.0009524500000000, 0.0008064400000000, 0.0004948200000000 ] - [ 0.0000922500000000, -0.0003037100000000, -0.0001765200000000 ] - [ -0.0000702700000000, -0.0005843900000000, -0.0003271700000000 ] - [ 0.0000125800000000, 0.0003711100000000, -0.0017834700000000 ] - [ -0.0000998500000000, -0.0008367200000000, -0.0001804100000000 ] - [ 0.0000180800000000, -0.0009206500000000, -0.0001430900000000 ] - [ -0.0003187500000000, 0.0000586700000000, 0.0000283600000000 ] - [ -0.0000002500000000, -0.0001647000000000, 0.0002040500000000 ] - [ -0.0000566100000000, -0.0006753800000000, 0.0000426100000000 ] - [ -0.0100576600000000, 0.0373673300000000, -0.0291245800000000 ] - [ -0.0000281900000000, 0.0009393300000000, -0.0002388600000000 ] - [ -0.0004618600000000, 0.0006528200000000, 0.0002515800000000 ] - [ -0.0000484000000000, 0.0006026600000000, -0.0006705800000000 ] - [ -0.0000099100000000, 0.0002520900000000, 0.0000365900000000 ] - [ -0.0000583800000000, 0.0004773500000000, 0.0001615800000000 ] - [ -0.0002333100000000, 0.0003552200000000, 0.0001528800000000 ] - [ 0.0000635000000000, 0.0003640100000000, 0.0000389300000000 ] - [ -0.0001491600000000, 0.0004900400000000, 0.0001075300000000 ] - [ -0.0000542500000000, 0.0009506600000000, 0.0000306500000000 ] - [ -0.0000852500000000, 0.0004688100000000, 0.0001467300000000 ] - [ -0.0003169600000000, 0.0003527400000000, -0.0002081500000000 ] - [ -0.0000435900000000, -0.0013511800000000, -0.0016209300000000 ] - [ -0.0000502300000000, 0.0003860800000000, -0.0001368900000000 ] - [ 0.0002572800000000, 0.0000772900000000, -0.0014445600000000 ] - [ -0.0004961600000000, -0.0012940600000000, -0.0016130600000000 ] - [ -0.0010782700000000, 0.0003140100000000, -0.0002473000000000 ] - [ -0.0000865100000000, 0.0007204700000000, -0.0002169600000000 ] - [ -0.0010555900000000, -0.0002867200000000, 0.0000159600000000 ] - [ 0.0004590200000000, -0.0012535800000000, 0.0001167400000000 ] - [ -0.0001444400000000, 0.0004635100000000, 0.0001377600000000 ] - [ -0.0006090600000000, 0.0065736900000000, -0.0021296600000000 ] - [ 0.0070826900000000, -0.0701044500000000, 0.0322482200000000 ] - [ 0.0001986400000000, 0.0005070800000000, 0.0000405700000000 ] - [ -0.0004687400000000, -0.0012843600000000, -0.0002106500000000 ] - [ -0.0003906900000000, 0.0004798100000000, 0.0001731400000000 ] - [ -0.0003792900000000, 0.0005315300000000, -0.0001605600000000 ] - [ 0.0001881500000000, 0.0001248400000000, 0.0001270400000000 ] - [ 0.0014618000000000, 0.0003905100000000, -0.0012436100000000 ] - [ 0.0016982500000000, 0.0008056800000000, 0.0009261300000000 ] - [ 0.0005268200000000, 0.0002044000000000, 0.0002116200000000 ] - [ 0.0000569100000000, 0.0006863800000000, 0.0000122200000000 ] - [ 0.0001329500000000, -0.0000971500000000, 0.0000317000000000 ] - [ -0.0000685800000000, 0.0006586100000000, 0.0000117200000000 ] - [ 0.0000099400000000, 0.0002712700000000, -0.0000454000000000 ] - [ -0.0000071200000000, 0.0004214500000000, -0.0001231800000000 ] - [ -0.0004001200000000, 0.0002461600000000, 0.0000041500000000 ] - [ 0.0005972500000000, -0.0003537600000000, 0.0002500900000000 ] - [ -0.0002700500000000, 0.0005670500000000, 0.0002559200000000 ] - [ 0.0001891400000000, 0.0004515900000000, -0.0000403600000000 ] - [ -0.0001360500000000, 0.0002691500000000, 0.0001947300000000 ] - [ -0.0000006400000000, 0.0005379300000000, -0.0001731200000000 ] - [ 0.0000619400000000, -0.0004484100000000, -0.0000302700000000 ] - [ 0.0000517100000000, 0.0006492300000000, -0.0000196800000000 ] - [ -0.0005827300000000, 0.0005228500000000, 0.0008352700000000 ] - [ 0.0003474100000000, -0.0001689500000000, -0.0001899600000000 ] - [ 0.0006665500000000, -0.0011462900000000, -0.0001020500000000 ] - [ -0.0001738100000000, 0.0004463100000000, 0.0001172700000000 ] - [ 0.0009960100000000, 0.0001420100000000, -0.0003046200000000 ] - [ -0.0001327600000000, 0.0002625300000000, 0.0000146700000000 ] - [ 0.0003618400000000, 0.0002220500000000, 0.0001373900000000 ] - [ 0.0002586100000000, 0.0013763200000000, 0.0003617900000000 ] - [ -0.0000652900000000, 0.0002545300000000, 0.0000157100000000 ]- atom: 62 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002294700000000, 0.0013018200000000, 0.0002828200000000 ] - [ -0.0001829400000000, -0.0016215400000000, 0.0002370100000000 ] - [ -0.0000319000000000, 0.0003482900000000, 0.0001231400000000 ] - [ -0.0025468900000000, -0.0072144300000000, -0.0052315200000000 ] - [ -0.0011766200000000, -0.0037318000000000, 0.0000125700000000 ] - [ -0.0001499200000000, 0.0005643600000000, 0.0001920000000000 ] - [ -0.0002834200000000, 0.0010093300000000, -0.0002260800000000 ] - [ 0.0002405900000000, 0.0008257400000000, 0.0000391200000000 ] - [ 0.0001558000000000, 0.0005871800000000, 0.0000832500000000 ] - [ 0.0002407800000000, 0.0005409600000000, -0.0001762800000000 ] - [ 0.0000636600000000, -0.0006481800000000, 0.0002034100000000 ] - [ -0.0000063400000000, 0.0004336900000000, -0.0001588500000000 ] - [ -0.0016035700000000, -0.0024286200000000, 0.0007193600000000 ] - [ 0.0014424400000000, -0.0115345800000000, -0.0011276500000000 ] - [ 0.0000076200000000, 0.0005973100000000, -0.0001027900000000 ] - [ -0.0002123800000000, 0.0007176200000000, -0.0003249400000000 ] - [ 0.0000097400000000, 0.0004133200000000, -0.0001026900000000 ] - [ -0.0001024300000000, 0.0006494800000000, 0.0001165800000000 ] - [ -0.0005760200000000, -0.0006388600000000, 0.0000084700000000 ] - [ -0.0000760800000000, 0.0004894400000000, 0.0002733500000000 ] - [ -0.0002211500000000, 0.0007369500000000, 0.0001565200000000 ] - [ -0.0003759900000000, 0.0015752800000000, -0.0006567700000000 ] - [ -0.0013414500000000, 0.0000237600000000, 0.0004117600000000 ] - [ 0.0004295000000000, 0.0009285900000000, -0.0001434300000000 ] - [ -0.0000885200000000, 0.0005354600000000, -0.0000773500000000 ] - [ 0.0000903300000000, 0.0006301900000000, 0.0001134100000000 ] - [ 0.0006064900000000, -0.0023122800000000, 0.0005736800000000 ] - [ 0.0011318600000000, -0.0001566900000000, -0.0004839600000000 ] - [ 0.0002223400000000, 0.0001611800000000, 0.0004984000000000 ] - [ -0.0000222800000000, 0.0003815400000000, 0.0001188300000000 ] - [ 0.0010957500000000, -0.0007993900000000, -0.0003483300000000 ] - [ -0.0000658300000000, 0.0007874800000000, -0.0000754700000000 ] - [ 0.0000962000000000, 0.0010667800000000, 0.0005839700000000 ] - [ 0.0001318900000000, -0.0003703100000000, 0.0016115300000000 ] - [ -0.0000518800000000, 0.0008358500000000, 0.0000323100000000 ] - [ -0.0000439700000000, 0.0004344200000000, -0.0001181200000000 ] - [ 0.0003340700000000, -0.0005368700000000, -0.0002870700000000 ] - [ -0.0000298600000000, 0.0006390300000000, -0.0004575900000000 ] - [ -0.0000946500000000, 0.0006724900000000, 0.0001065000000000 ] - [ 0.0104801600000000, -0.0386701700000000, 0.0305464700000000 ] - [ -0.0006896700000000, -0.0007203100000000, -0.0001261700000000 ] - [ -0.0002534600000000, -0.0004309100000000, 0.0001142700000000 ] - [ 0.0007619400000000, -0.0003897200000000, 0.0002994300000000 ] - [ 0.0000552700000000, -0.0004477000000000, 0.0001245500000000 ] - [ 0.0000907700000000, -0.0006892600000000, -0.0000137300000000 ] - [ 0.0004495300000000, -0.0004897700000000, -0.0001047600000000 ] - [ -0.0002784500000000, -0.0005033200000000, -0.0000828400000000 ] - [ 0.0000457500000000, -0.0004884800000000, 0.0001468300000000 ] - [ 0.0000216700000000, -0.0007326800000000, 0.0001173400000000 ] - [ 0.0000396600000000, -0.0002715500000000, 0.0000149200000000 ] - [ -0.0003033200000000, -0.0003508400000000, -0.0002049500000000 ] - [ -0.0000005200000000, 0.0011672900000000, 0.0017757700000000 ] - [ 0.0000045000000000, -0.0001893800000000, -0.0000249600000000 ] - [ 0.0004584800000000, -0.0002866800000000, 0.0010691900000000 ] - [ 0.0002776100000000, 0.0014492900000000, 0.0015648000000000 ] - [ 0.0016847200000000, -0.0003101500000000, 0.0006569800000000 ] - [ -0.0001750000000000, -0.0007189900000000, -0.0000472800000000 ] - [ 0.0013080200000000, 0.0002809900000000, -0.0002792400000000 ] - [ 0.0002575000000000, 0.0010275500000000, 0.0002489200000000 ] - [ -0.0001171100000000, -0.0004609700000000, 0.0001268800000000 ] - [ 0.0005792800000000, -0.0068962000000000, 0.0022955000000000 ] - [ -0.0073927200000000, 0.0707792600000000, -0.0331647700000000 ] - [ 0.0000177500000000, -0.0003654700000000, 0.0000045800000000 ] - [ 0.0003096100000000, 0.0014746700000000, 0.0001952200000000 ] - [ -0.0003252400000000, -0.0006961400000000, 0.0001923000000000 ] - [ -0.0003369500000000, -0.0007484200000000, -0.0002047200000000 ] - [ -0.0000329800000000, -0.0003188900000000, -0.0001115200000000 ] - [ -0.0008301000000000, -0.0003878600000000, 0.0008233900000000 ] - [ -0.0014233900000000, -0.0008058200000000, -0.0006592800000000 ] - [ 0.0001904100000000, 0.0000137300000000, 0.0001543800000000 ] - [ 0.0000981100000000, -0.0004880800000000, -0.0000279700000000 ] - [ 0.0000816600000000, -0.0000413400000000, -0.0000765800000000 ] - [ 0.0000356200000000, -0.0004433900000000, -0.0001585400000000 ] - [ 0.0000357800000000, -0.0004666600000000, -0.0001155200000000 ] - [ -0.0000972800000000, -0.0004198300000000, -0.0001311000000000 ] - [ 0.0004474800000000, -0.0000459700000000, -0.0001648700000000 ] - [ -0.0005654500000000, 0.0005710500000000, -0.0001030400000000 ] - [ -0.0003502800000000, -0.0005666900000000, 0.0001567300000000 ] - [ 0.0000270700000000, -0.0003099200000000, -0.0000045200000000 ] - [ 0.0002928100000000, -0.0004607000000000, -0.0002136000000000 ] - [ 0.0000330400000000, -0.0007492800000000, 0.0000248800000000 ] - [ -0.0000911800000000, 0.0002408000000000, -0.0001205800000000 ] - [ 0.0001030700000000, -0.0004510200000000, 0.0000358600000000 ] - [ 0.0006197700000000, -0.0003001300000000, -0.0009866800000000 ] - [ -0.0002473300000000, 0.0001590200000000, 0.0004473800000000 ] - [ -0.0007105500000000, 0.0009479500000000, -0.0000592900000000 ] - [ 0.0002785900000000, -0.0004447500000000, -0.0003733100000000 ] - [ -0.0012111200000000, -0.0000100000000000, 0.0003462800000000 ] - [ -0.0000224000000000, -0.0004582900000000, -0.0000308900000000 ] - [ -0.0003143100000000, -0.0000220300000000, 0.0000227200000000 ] - [ -0.0004107200000000, -0.0015634600000000, -0.0003429000000000 ] - [ -0.0001505800000000, -0.0003944000000000, 0.0000289400000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000543700000000, 0.0003489600000000, -0.0000749500000000 ] - [ 0.0002029300000000, -0.0003383100000000, 0.0001325400000000 ] - [ -0.0000183600000000, -0.0002774400000000, 0.0001426900000000 ] - [ 0.0018909500000000, 0.0053969900000000, 0.0026225600000000 ] - [ 0.0001801000000000, -0.0006453300000000, 0.0011542600000000 ] - [ 0.0000696600000000, 0.0001128700000000, 0.0001830700000000 ] - [ 0.0000454900000000, 0.0003073600000000, -0.0001853600000000 ] - [ 0.0000541200000000, 0.0000516300000000, -0.0002710200000000 ] - [ 0.0001188700000000, -0.0000034500000000, 0.0001783600000000 ] - [ 0.0001594700000000, 0.0000595000000000, -0.0001242300000000 ] - [ -0.0003363000000000, -0.0001729100000000, 0.0000061100000000 ] - [ -0.0000341500000000, -0.0002624600000000, -0.0001425500000000 ] - [ 0.0019747800000000, -0.0013076800000000, -0.0006335900000000 ] - [ -0.0000964300000000, -0.0003565000000000, 0.0002891800000000 ] - [ 0.0000839400000000, 0.0000039000000000, -0.0001725000000000 ] - [ -0.0001430600000000, 0.0000986800000000, -0.0002126700000000 ] - [ -0.0000981700000000, 0.0002105600000000, -0.0001084800000000 ] - [ -0.0000909800000000, -0.0000626100000000, 0.0001039000000000 ] - [ -0.0000731300000000, 0.0002771300000000, -0.0004616400000000 ] - [ -0.0000888900000000, 0.0000400000000000, 0.0001757800000000 ] - [ 0.0000557900000000, 0.0003466400000000, 0.0002085100000000 ] - [ -0.0001394800000000, 0.0001014400000000, 0.0000001400000000 ] - [ 0.0002425000000000, 0.0003345200000000, 0.0006534100000000 ] - [ 0.0001068700000000, 0.0002252100000000, 0.0003385600000000 ] - [ -0.0000803500000000, -0.0000756700000000, -0.0000959100000000 ] - [ 0.0001487700000000, -0.0000151500000000, 0.0001012100000000 ] - [ -0.0009086000000000, -0.0009547600000000, -0.0025822600000000 ] - [ 0.0004677500000000, 0.0006911200000000, 0.0001690900000000 ] - [ -0.0002845400000000, 0.0006244900000000, -0.0000576800000000 ] - [ -0.0000126300000000, -0.0002183400000000, 0.0001232000000000 ] - [ 0.0005361600000000, -0.0001925100000000, 0.0000083800000000 ] - [ 0.0000016500000000, 0.0002548500000000, -0.0001151000000000 ] - [ 0.0000618800000000, 0.0003295400000000, 0.0003436200000000 ] - [ 0.0007983600000000, -0.0006232600000000, 0.0003464300000000 ] - [ -0.0000943100000000, 0.0000665900000000, -0.0000497200000000 ] - [ -0.0000224900000000, -0.0002041400000000, -0.0001393700000000 ] - [ -0.0002043800000000, -0.0001282200000000, -0.0003348200000000 ] - [ -0.0007892300000000, -0.0006459600000000, -0.0004002500000000 ] - [ -0.0000617600000000, -0.0000270200000000, 0.0001000400000000 ] - [ 0.0113162600000000, -0.0321744200000000, 0.0379528700000000 ] - [ -0.0003514000000000, 0.0000240100000000, -0.0001891000000000 ] - [ -0.0003925500000000, 0.0001689700000000, 0.0002437800000000 ] - [ 0.0003351600000000, -0.0000261700000000, 0.0000345400000000 ] - [ 0.0000279500000000, -0.0001132400000000, 0.0000808000000000 ] - [ 0.0000268500000000, -0.0001252300000000, 0.0000712700000000 ] - [ -0.0000086400000000, 0.0001439000000000, 0.0005555400000000 ] - [ -0.0001458300000000, -0.0000539700000000, -0.0000516300000000 ] - [ -0.0000606300000000, -0.0000077700000000, 0.0001124500000000 ] - [ -0.0000189900000000, 0.0000143300000000, 0.0000432300000000 ] - [ -0.0000112600000000, 0.0001099000000000, 0.0000526200000000 ] - [ -0.0003324400000000, -0.0000167900000000, -0.0002195100000000 ] - [ -0.0011080800000000, -0.0029717400000000, 0.0064825000000000 ] - [ -0.0000048900000000, 0.0001035500000000, -0.0000665500000000 ] - [ 0.0016806800000000, -0.0012100200000000, 0.0024338200000000 ] - [ 0.0026400600000000, -0.0021177700000000, 0.0010753500000000 ] - [ 0.0012176700000000, -0.0002111300000000, 0.0007838700000000 ] - [ -0.0001152000000000, -0.0000391500000000, -0.0001335600000000 ] - [ 0.0002331400000000, 0.0003949300000000, -0.0003606000000000 ] - [ 0.0003948700000000, 0.0000425400000000, 0.0002693600000000 ] - [ -0.0001499900000000, -0.0000353000000000, 0.0001369500000000 ] - [ 0.0000337700000000, -0.0000563300000000, -0.0007839300000000 ] - [ -0.0177643300000000, 0.0335420900000000, -0.0535219900000000 ] - [ 0.0001055300000000, 0.0000498900000000, 0.0000256500000000 ] - [ 0.0002547600000000, 0.0003030600000000, -0.0001500300000000 ] - [ -0.0003589300000000, -0.0001281900000000, 0.0001811800000000 ] - [ -0.0003508400000000, -0.0001581900000000, -0.0001870500000000 ] - [ 0.0001204600000000, -0.0002174600000000, 0.0000706800000000 ] - [ -0.0001685200000000, -0.0005181900000000, 0.0003812000000000 ] - [ 0.0006379400000000, 0.0009279000000000, 0.0000430800000000 ] - [ 0.0003479600000000, 0.0000943800000000, 0.0002539500000000 ] - [ 0.0000805600000000, 0.0000768900000000, -0.0000063800000000 ] - [ 0.0000643700000000, -0.0002400900000000, 0.0000221000000000 ] - [ -0.0000129900000000, 0.0000914200000000, -0.0000778500000000 ] - [ 0.0000183500000000, -0.0001101700000000, -0.0000753200000000 ] - [ -0.0000456200000000, -0.0000283500000000, -0.0001271900000000 ] - [ -0.0002657400000000, 0.0003854800000000, 0.0004309200000000 ] - [ -0.0000134100000000, -0.0004086200000000, 0.0005223700000000 ] - [ -0.0002824400000000, -0.0000207800000000, 0.0002005400000000 ] - [ 0.0001048400000000, 0.0000555700000000, -0.0000228200000000 ] - [ 0.0001183500000000, 0.0001040800000000, -0.0001129200000000 ] - [ 0.0000160600000000, -0.0001445100000000, -0.0000499300000000 ] - [ 0.0000802700000000, -0.0002671000000000, -0.0000941300000000 ] - [ 0.0000769100000000, 0.0000693000000000, 0.0000125600000000 ] - [ 0.0000519100000000, 0.0016581100000000, 0.0011022900000000 ] - [ -0.0000261200000000, -0.0000101700000000, 0.0002133200000000 ] - [ -0.0002802500000000, 0.0000324900000000, -0.0001890700000000 ] - [ -0.0003129300000000, 0.0002324200000000, 0.0013540800000000 ] - [ -0.0008053100000000, -0.0002589800000000, 0.0002792000000000 ] - [ -0.0000841700000000, -0.0000763500000000, 0.0000137100000000 ] - [ 0.0002938900000000, 0.0002724500000000, -0.0000983000000000 ] - [ -0.0002682900000000, -0.0004537600000000, -0.0001656500000000 ] - [ -0.0001071600000000, -0.0000680000000000, 0.0000287800000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000023800000000, 0.0002623300000000, -0.0002016800000000 ] - [ -0.0000393900000000, 0.0001276600000000, 0.0000556500000000 ] - [ -0.0000357400000000, -0.0003269100000000, 0.0001357500000000 ] - [ -0.0021701200000000, -0.0056067300000000, -0.0030918100000000 ] - [ -0.0001627600000000, 0.0000230000000000, -0.0008786400000000 ] - [ 0.0001020000000000, 0.0000961600000000, 0.0000042300000000 ] - [ 0.0000098200000000, 0.0003021300000000, -0.0000916300000000 ] - [ 0.0001149400000000, 0.0001571700000000, 0.0000831100000000 ] - [ 0.0000782300000000, -0.0000354100000000, 0.0001785600000000 ] - [ 0.0001499200000000, -0.0000578600000000, -0.0001176600000000 ] - [ 0.0000282400000000, 0.0001719600000000, 0.0002384800000000 ] - [ -0.0000197500000000, -0.0003421100000000, -0.0001360100000000 ] - [ -0.0019294000000000, 0.0006950900000000, 0.0003758100000000 ] - [ -0.0002075300000000, 0.0003117300000000, -0.0005475300000000 ] - [ 0.0001129400000000, -0.0000430300000000, -0.0001837000000000 ] - [ -0.0000543000000000, -0.0000564200000000, -0.0001450000000000 ] - [ -0.0000722800000000, -0.0000035700000000, -0.0000805300000000 ] - [ -0.0000797500000000, -0.0001414500000000, 0.0000851900000000 ] - [ -0.0001267700000000, -0.0003217000000000, 0.0008152500000000 ] - [ -0.0001083100000000, 0.0000026200000000, 0.0001817500000000 ] - [ -0.0001115100000000, 0.0002613100000000, 0.0000707300000000 ] - [ -0.0000309200000000, 0.0001089400000000, 0.0001871400000000 ] - [ -0.0000500800000000, -0.0002960800000000, -0.0002923300000000 ] - [ -0.0000521200000000, 0.0003849500000000, -0.0000611800000000 ] - [ -0.0000905700000000, -0.0001286200000000, -0.0000926600000000 ] - [ 0.0001600700000000, 0.0000179800000000, 0.0001408600000000 ] - [ 0.0010708400000000, 0.0007320400000000, 0.0023786300000000 ] - [ -0.0002628000000000, -0.0006488700000000, -0.0005217400000000 ] - [ 0.0002599100000000, -0.0001385000000000, 0.0003216300000000 ] - [ -0.0000136000000000, -0.0002649700000000, 0.0001296600000000 ] - [ -0.0003847400000000, 0.0001912200000000, 0.0001362200000000 ] - [ 0.0000243700000000, 0.0002333500000000, -0.0001371400000000 ] - [ -0.0000352500000000, 0.0001593300000000, -0.0000787000000000 ] - [ -0.0006518300000000, 0.0006617900000000, -0.0005214800000000 ] - [ -0.0000563600000000, -0.0000634300000000, -0.0000993200000000 ] - [ -0.0000038300000000, -0.0002782800000000, -0.0001222200000000 ] - [ 0.0002228000000000, -0.0003588300000000, 0.0000799100000000 ] - [ 0.0007671100000000, 0.0011298600000000, 0.0001451400000000 ] - [ -0.0000894100000000, 0.0000298600000000, 0.0000496300000000 ] - [ -0.0108974000000000, 0.0305129300000000, -0.0369411400000000 ] - [ -0.0003653400000000, 0.0001916000000000, -0.0001761200000000 ] - [ -0.0003224500000000, 0.0000471700000000, 0.0001217200000000 ] - [ 0.0003827900000000, 0.0002473000000000, -0.0003930100000000 ] - [ 0.0000174100000000, -0.0000847400000000, 0.0000803700000000 ] - [ 0.0000059300000000, -0.0000900600000000, 0.0000762100000000 ] - [ 0.0002282300000000, -0.0002850100000000, -0.0005113500000000 ] - [ -0.0000710800000000, -0.0000876000000000, 0.0000064900000000 ] - [ -0.0000427000000000, 0.0000058900000000, 0.0001416200000000 ] - [ -0.0000133600000000, 0.0001947900000000, 0.0001051500000000 ] - [ -0.0000339500000000, 0.0000856500000000, 0.0001080500000000 ] - [ -0.0002880200000000, 0.0000154200000000, -0.0001933300000000 ] - [ 0.0010324900000000, 0.0027339800000000, -0.0062183600000000 ] - [ -0.0000402900000000, 0.0000914100000000, -0.0000941300000000 ] - [ -0.0010074300000000, 0.0009892900000000, -0.0028353800000000 ] - [ -0.0028025800000000, 0.0022356300000000, -0.0011016900000000 ] - [ -0.0006091600000000, 0.0002132100000000, -0.0003729100000000 ] - [ -0.0001469200000000, 0.0000362700000000, -0.0001307300000000 ] - [ 0.0000369400000000, -0.0003994800000000, 0.0000923800000000 ] - [ 0.0003218300000000, -0.0002582900000000, 0.0000973400000000 ] - [ -0.0001114600000000, 0.0000336100000000, 0.0001274300000000 ] - [ -0.0000660500000000, -0.0001891000000000, 0.0009291300000000 ] - [ 0.0173657300000000, -0.0318725000000000, 0.0528592500000000 ] - [ 0.0001107300000000, 0.0000888900000000, 0.0000195700000000 ] - [ -0.0004033100000000, -0.0001029800000000, 0.0001316800000000 ] - [ -0.0003564900000000, -0.0000920600000000, 0.0001848300000000 ] - [ -0.0003647000000000, -0.0000622200000000, -0.0001785300000000 ] - [ 0.0000333800000000, 0.0000208500000000, -0.0000552400000000 ] - [ 0.0007902000000000, 0.0005267800000000, -0.0007932100000000 ] - [ -0.0003776600000000, -0.0009304700000000, 0.0002125500000000 ] - [ 0.0003673800000000, 0.0001230400000000, 0.0001120200000000 ] - [ 0.0000740400000000, 0.0001169400000000, -0.0000097900000000 ] - [ 0.0001511200000000, 0.0000997500000000, -0.0000664100000000 ] - [ -0.0000194900000000, 0.0001193500000000, -0.0000696900000000 ] - [ 0.0000270500000000, -0.0000879000000000, -0.0000851900000000 ] - [ -0.0000585200000000, 0.0000268400000000, -0.0001264500000000 ] - [ 0.0003145000000000, -0.0001923800000000, -0.0005959900000000 ] - [ 0.0000429400000000, 0.0006236900000000, -0.0003732200000000 ] - [ -0.0003385500000000, 0.0000183800000000, 0.0002125400000000 ] - [ 0.0001114300000000, 0.0000833200000000, -0.0000220100000000 ] - [ 0.0000367200000000, -0.0003042300000000, 0.0000963500000000 ] - [ 0.0000165500000000, -0.0000704500000000, -0.0000978100000000 ] - [ -0.0001088200000000, 0.0000605700000000, -0.0000581000000000 ] - [ 0.0000777900000000, 0.0001248500000000, 0.0000043400000000 ] - [ -0.0000198700000000, -0.0014494900000000, -0.0012514800000000 ] - [ 0.0001252100000000, 0.0000040800000000, 0.0000439500000000 ] - [ 0.0002366400000000, -0.0002229200000000, 0.0000305600000000 ] - [ 0.0004176900000000, -0.0002223500000000, -0.0016211700000000 ] - [ 0.0005956400000000, 0.0004064700000000, -0.0002396600000000 ] - [ -0.0000702000000000, -0.0001219000000000, -0.0000305800000000 ] - [ -0.0002514400000000, -0.0000765000000000, 0.0002606900000000 ] - [ 0.0001123900000000, 0.0002507200000000, 0.0001798400000000 ] - [ -0.0001099800000000, -0.0000738000000000, 0.0000162400000000 ]