# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/071eb4ae-b858-4f54-a713-2a145f592b06/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 Li2Bi5B3O13 / P2_1/m (11) / materials id 768740](https://mdr.nims.go.jp/datasets/ad217eff-6eef-4c79-960c-95c07407e2f2) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.878638590000000, 0.000000000000000, 0.136336160000000 ] # a - [ 0.000000000000000, 3.654398730000000, 0.000000000000000 ] # b - [ -3.749962890000000, 0.000000000000000, 15.481546249999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.827161910000000, 0.250000000000000, 0.291328710000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.628779300000000, 0.750000000000000, 0.067752780000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.371220700000000, 0.250000000000000, 0.932247220000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.172838090000000, 0.750000000000000, 0.708671290000000 ] mass: 6.941000 - symbol: Bi # 5 coordinates: [ 0.858101590000000, 0.250000000000000, 0.017456740000000 ] mass: 208.980400 - symbol: Bi # 6 coordinates: [ 0.950208530000000, 0.250000000000000, 0.604238560000000 ] mass: 208.980400 - symbol: Bi # 7 coordinates: [ 0.814451350000000, 0.750000000000000, 0.804831930000000 ] mass: 208.980400 - symbol: Bi # 8 coordinates: [ 0.631302410000000, 0.750000000000000, 0.565889900000000 ] mass: 208.980400 - symbol: Bi # 9 coordinates: [ 0.534014750000000, 0.750000000000000, 0.290282220000000 ] mass: 208.980400 - symbol: Bi # 10 coordinates: [ 0.465985250000000, 0.250000000000000, 0.709717780000000 ] mass: 208.980400 - symbol: Bi # 11 coordinates: [ 0.368697590000000, 0.250000000000000, 0.434110100000000 ] mass: 208.980400 - symbol: Bi # 12 coordinates: [ 0.185548650000000, 0.250000000000000, 0.195168070000000 ] mass: 208.980400 - symbol: Bi # 13 coordinates: [ 0.049791470000000, 0.750000000000000, 0.395761440000000 ] mass: 208.980400 - symbol: Bi # 14 coordinates: [ 0.141898410000000, 0.750000000000000, 0.982543260000000 ] mass: 208.980400 - symbol: B # 15 coordinates: [ 0.917601180000000, 0.750000000000000, 0.192013950000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.773740660000000, 0.250000000000000, 0.424414080000000 ] mass: 10.811000 - symbol: B # 17 coordinates: [ 0.390166000000000, 0.750000000000000, 0.092826420000000 ] mass: 10.811000 - symbol: B # 18 coordinates: [ 0.609834000000000, 0.250000000000000, 0.907173580000000 ] mass: 10.811000 - symbol: B # 19 coordinates: [ 0.226259340000000, 0.750000000000000, 0.575585920000000 ] mass: 10.811000 - symbol: B # 20 coordinates: [ 0.082398820000000, 0.250000000000000, 0.807986050000000 ] mass: 10.811000 - symbol: O # 21 coordinates: [ 0.820292240000000, 0.750000000000000, 0.120187320000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.902112200000000, 0.250000000000000, 0.425465410000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.888927850000000, 0.750000000000000, 0.272656570000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.956448480000000, 0.250000000000000, 0.814940700000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.863134770000000, 0.750000000000000, 0.654790170000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.738057290000000, 0.250000000000000, 0.502582020000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.688773910000000, 0.250000000000000, 0.345807390000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.907928600000000, 0.750000000000000, 0.945880220000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.509394070000000, 0.750000000000000, 0.141210990000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.362206700000000, 0.750000000000000, 0.003591000000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.717724460000000, 0.250000000000000, 0.869385510000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.596734600000000, 0.750000000000000, 0.711622250000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.496078830000000, 0.750000000000000, 0.429751490000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.503921170000000, 0.250000000000000, 0.570248510000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.403265400000000, 0.250000000000000, 0.288377750000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.282275540000000, 0.750000000000000, 0.130614490000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.637793300000000, 0.250000000000000, 0.996409000000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.490605930000000, 0.250000000000000, 0.858789010000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.092071400000000, 0.250000000000000, 0.054119780000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.311226090000000, 0.750000000000000, 0.654192610000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.261942710000000, 0.750000000000000, 0.497417980000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.136865230000000, 0.250000000000000, 0.345209830000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.043551520000000, 0.750000000000000, 0.185059300000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.111072150000000, 0.250000000000000, 0.727343430000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.097887800000000, 0.750000000000000, 0.574534590000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.179707760000000, 0.250000000000000, 0.879812680000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.091645066317136, 0.000000000000000, 0.022198402678340 ] # a* - [ 0.000000000000000, 0.273642827147108, 0.000000000000000 ] # b* - [ -0.000807059981145, 0.000000000000000, 0.064397543948215 ] # c*unit_cell: lattice: - [ 10.878638590000000, 0.000000000000000, 0.136336160000000 ] # a - [ 0.000000000000000, 3.654398730000000, 0.000000000000000 ] # b - [ -3.749962890000000, 0.000000000000000, 15.481546249999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.827161910000000, 0.250000000000000, 0.291328710000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.628779300000000, 0.750000000000000, 0.067752780000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.371220700000000, 0.250000000000000, 0.932247220000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.172838090000000, 0.750000000000000, 0.708671290000000 ] mass: 6.941000 reduced_to: 4 - symbol: Bi # 5 coordinates: [ 0.858101590000000, 0.250000000000000, 0.017456740000000 ] mass: 208.980400 reduced_to: 5 - symbol: Bi # 6 coordinates: [ 0.950208530000000, 0.250000000000000, 0.604238560000000 ] mass: 208.980400 reduced_to: 6 - symbol: Bi # 7 coordinates: [ 0.814451350000000, 0.750000000000000, 0.804831930000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 8 coordinates: [ 0.631302410000000, 0.750000000000000, 0.565889900000000 ] mass: 208.980400 reduced_to: 8 - symbol: Bi # 9 coordinates: [ 0.534014750000000, 0.750000000000000, 0.290282220000000 ] mass: 208.980400 reduced_to: 9 - symbol: Bi # 10 coordinates: [ 0.465985250000000, 0.250000000000000, 0.709717780000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 11 coordinates: [ 0.368697590000000, 0.250000000000000, 0.434110100000000 ] mass: 208.980400 reduced_to: 11 - symbol: Bi # 12 coordinates: [ 0.185548650000000, 0.250000000000000, 0.195168070000000 ] mass: 208.980400 reduced_to: 12 - symbol: Bi # 13 coordinates: [ 0.049791470000000, 0.750000000000000, 0.395761440000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 14 coordinates: [ 0.141898410000000, 0.750000000000000, 0.982543260000000 ] mass: 208.980400 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.917601180000000, 0.750000000000000, 0.192013950000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.773740660000000, 0.250000000000000, 0.424414080000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.390166000000000, 0.750000000000000, 0.092826420000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.609834000000000, 0.250000000000000, 0.907173580000000 ] mass: 10.811000 reduced_to: 18 - symbol: B # 19 coordinates: [ 0.226259340000000, 0.750000000000000, 0.575585920000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.082398820000000, 0.250000000000000, 0.807986050000000 ] mass: 10.811000 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.820292240000000, 0.750000000000000, 0.120187320000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.902112200000000, 0.250000000000000, 0.425465410000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.888927850000000, 0.750000000000000, 0.272656570000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.956448480000000, 0.250000000000000, 0.814940700000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.863134770000000, 0.750000000000000, 0.654790170000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.738057290000000, 0.250000000000000, 0.502582020000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.688773910000000, 0.250000000000000, 0.345807390000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.907928600000000, 0.750000000000000, 0.945880220000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.509394070000000, 0.750000000000000, 0.141210990000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.362206700000000, 0.750000000000000, 0.003591000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.717724460000000, 0.250000000000000, 0.869385510000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.596734600000000, 0.750000000000000, 0.711622250000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.496078830000000, 0.750000000000000, 0.429751490000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.503921170000000, 0.250000000000000, 0.570248510000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.403265400000000, 0.250000000000000, 0.288377750000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.282275540000000, 0.750000000000000, 0.130614490000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.637793300000000, 0.250000000000000, 0.996409000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.490605930000000, 0.250000000000000, 0.858789010000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.092071400000000, 0.250000000000000, 0.054119780000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.311226090000000, 0.750000000000000, 0.654192610000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.261942710000000, 0.750000000000000, 0.497417980000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.136865230000000, 0.250000000000000, 0.345209830000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.043551520000000, 0.750000000000000, 0.185059300000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.111072150000000, 0.250000000000000, 0.727343430000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.097887800000000, 0.750000000000000, 0.574534590000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.179707760000000, 0.250000000000000, 0.879812680000000 ] mass: 15.999400 reduced_to: 46supercell: lattice: - [ 10.878638590000000, 0.000000000000000, 0.136336160000000 ] # a - [ 0.000000000000000, 10.963196190000000, 0.000000000000000 ] # b - [ -3.749962890000000, 0.000000000000000, 15.481546249999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.827161910000000, 0.083333333333333, 0.291328710000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.827161910000000, 0.416666666666667, 0.291328710000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.827161910000000, 0.750000000000000, 0.291328710000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.628779300000000, 0.250000000000000, 0.067752780000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.628779300000000, 0.583333333333333, 0.067752780000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 6 coordinates: [ 0.628779300000000, 0.916666666666667, 0.067752780000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 7 coordinates: [ 0.371220700000000, 0.083333333333333, 0.932247220000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.371220700000000, 0.416666666666667, 0.932247220000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 9 coordinates: [ 0.371220700000000, 0.750000000000000, 0.932247220000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 10 coordinates: [ 0.172838090000000, 0.250000000000000, 0.708671290000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.172838090000000, 0.583333333333333, 0.708671290000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 12 coordinates: [ 0.172838090000000, 0.916666666666667, 0.708671290000000 ] mass: 6.941000 reduced_to: 10 - symbol: Bi # 13 coordinates: [ 0.858101590000000, 0.083333333333333, 0.017456740000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 14 coordinates: [ 0.858101590000000, 0.416666666666667, 0.017456740000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 15 coordinates: [ 0.858101590000000, 0.750000000000000, 0.017456740000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 16 coordinates: [ 0.950208530000000, 0.083333333333333, 0.604238560000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 17 coordinates: [ 0.950208530000000, 0.416666666666667, 0.604238560000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 18 coordinates: [ 0.950208530000000, 0.750000000000000, 0.604238560000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 19 coordinates: [ 0.814451350000000, 0.250000000000000, 0.804831930000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.814451350000000, 0.583333333333333, 0.804831930000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 21 coordinates: [ 0.814451350000000, 0.916666666666667, 0.804831930000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 22 coordinates: [ 0.631302410000000, 0.250000000000000, 0.565889900000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 23 coordinates: [ 0.631302410000000, 0.583333333333333, 0.565889900000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 24 coordinates: [ 0.631302410000000, 0.916666666666667, 0.565889900000000 ] mass: 208.980400 reduced_to: 22 - symbol: Bi # 25 coordinates: [ 0.534014750000000, 0.250000000000000, 0.290282220000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 26 coordinates: [ 0.534014750000000, 0.583333333333333, 0.290282220000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 27 coordinates: [ 0.534014750000000, 0.916666666666667, 0.290282220000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 28 coordinates: [ 0.465985250000000, 0.083333333333333, 0.709717780000000 ] mass: 208.980400 reduced_to: 28 - symbol: Bi # 29 coordinates: [ 0.465985250000000, 0.416666666666667, 0.709717780000000 ] mass: 208.980400 reduced_to: 28 - symbol: Bi # 30 coordinates: [ 0.465985250000000, 0.750000000000000, 0.709717780000000 ] mass: 208.980400 reduced_to: 28 - symbol: Bi # 31 coordinates: [ 0.368697590000000, 0.083333333333333, 0.434110100000000 ] mass: 208.980400 reduced_to: 31 - symbol: Bi # 32 coordinates: [ 0.368697590000000, 0.416666666666667, 0.434110100000000 ] mass: 208.980400 reduced_to: 31 - symbol: Bi # 33 coordinates: [ 0.368697590000000, 0.750000000000000, 0.434110100000000 ] mass: 208.980400 reduced_to: 31 - symbol: Bi # 34 coordinates: [ 0.185548650000000, 0.083333333333333, 0.195168070000000 ] mass: 208.980400 reduced_to: 34 - symbol: Bi # 35 coordinates: [ 0.185548650000000, 0.416666666666667, 0.195168070000000 ] mass: 208.980400 reduced_to: 34 - symbol: Bi # 36 coordinates: [ 0.185548650000000, 0.750000000000000, 0.195168070000000 ] mass: 208.980400 reduced_to: 34 - symbol: Bi # 37 coordinates: [ 0.049791470000000, 0.250000000000000, 0.395761440000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 38 coordinates: [ 0.049791470000000, 0.583333333333333, 0.395761440000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 39 coordinates: [ 0.049791470000000, 0.916666666666667, 0.395761440000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 40 coordinates: [ 0.141898410000000, 0.250000000000000, 0.982543260000000 ] mass: 208.980400 reduced_to: 40 - symbol: Bi # 41 coordinates: [ 0.141898410000000, 0.583333333333333, 0.982543260000000 ] mass: 208.980400 reduced_to: 40 - symbol: Bi # 42 coordinates: [ 0.141898410000000, 0.916666666666667, 0.982543260000000 ] mass: 208.980400 reduced_to: 40 - symbol: B # 43 coordinates: [ 0.917601180000000, 0.250000000000000, 0.192013950000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 44 coordinates: [ 0.917601180000000, 0.583333333333333, 0.192013950000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 45 coordinates: [ 0.917601180000000, 0.916666666666667, 0.192013950000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 46 coordinates: [ 0.773740660000000, 0.083333333333333, 0.424414080000000 ] mass: 10.811000 reduced_to: 46 - symbol: B # 47 coordinates: [ 0.773740660000000, 0.416666666666667, 0.424414080000000 ] mass: 10.811000 reduced_to: 46 - symbol: B # 48 coordinates: [ 0.773740660000000, 0.750000000000000, 0.424414080000000 ] mass: 10.811000 reduced_to: 46 - symbol: B # 49 coordinates: [ 0.390166000000000, 0.250000000000000, 0.092826420000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.390166000000000, 0.583333333333333, 0.092826420000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 51 coordinates: [ 0.390166000000000, 0.916666666666667, 0.092826420000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 52 coordinates: [ 0.609834000000000, 0.083333333333333, 0.907173580000000 ] mass: 10.811000 reduced_to: 52 - symbol: B # 53 coordinates: [ 0.609834000000000, 0.416666666666667, 0.907173580000000 ] mass: 10.811000 reduced_to: 52 - symbol: B # 54 coordinates: [ 0.609834000000000, 0.750000000000000, 0.907173580000000 ] mass: 10.811000 reduced_to: 52 - symbol: B # 55 coordinates: [ 0.226259340000000, 0.250000000000000, 0.575585920000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 56 coordinates: [ 0.226259340000000, 0.583333333333333, 0.575585920000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 57 coordinates: [ 0.226259340000000, 0.916666666666667, 0.575585920000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 58 coordinates: [ 0.082398820000000, 0.083333333333333, 0.807986050000000 ] mass: 10.811000 reduced_to: 58 - symbol: B # 59 coordinates: [ 0.082398820000000, 0.416666666666667, 0.807986050000000 ] mass: 10.811000 reduced_to: 58 - symbol: B # 60 coordinates: [ 0.082398820000000, 0.750000000000000, 0.807986050000000 ] mass: 10.811000 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.820292240000000, 0.250000000000000, 0.120187320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.820292240000000, 0.583333333333333, 0.120187320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.820292240000000, 0.916666666666667, 0.120187320000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.902112200000000, 0.083333333333333, 0.425465410000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.902112200000000, 0.416666666666667, 0.425465410000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.902112200000000, 0.750000000000000, 0.425465410000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.888927850000000, 0.250000000000000, 0.272656570000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.888927850000000, 0.583333333333333, 0.272656570000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.888927850000000, 0.916666666666667, 0.272656570000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.956448480000000, 0.083333333333333, 0.814940700000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.956448480000000, 0.416666666666667, 0.814940700000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.956448480000000, 0.750000000000000, 0.814940700000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.863134770000000, 0.250000000000000, 0.654790170000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.863134770000000, 0.583333333333333, 0.654790170000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.863134770000000, 0.916666666666667, 0.654790170000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.738057290000000, 0.083333333333333, 0.502582020000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.738057290000000, 0.416666666666667, 0.502582020000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.738057290000000, 0.750000000000000, 0.502582020000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.688773910000000, 0.083333333333333, 0.345807390000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.688773910000000, 0.416666666666667, 0.345807390000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.688773910000000, 0.750000000000000, 0.345807390000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.907928600000000, 0.250000000000000, 0.945880220000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.907928600000000, 0.583333333333333, 0.945880220000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.907928600000000, 0.916666666666667, 0.945880220000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 85 coordinates: [ 0.509394070000000, 0.250000000000000, 0.141210990000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.509394070000000, 0.583333333333333, 0.141210990000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.509394070000000, 0.916666666666667, 0.141210990000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.362206700000000, 0.250000000000000, 0.003591000000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.362206700000000, 0.583333333333333, 0.003591000000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 90 coordinates: [ 0.362206700000000, 0.916666666666667, 0.003591000000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 91 coordinates: [ 0.717724460000000, 0.083333333333333, 0.869385510000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.717724460000000, 0.416666666666667, 0.869385510000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.717724460000000, 0.750000000000000, 0.869385510000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.596734600000000, 0.250000000000000, 0.711622250000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.596734600000000, 0.583333333333333, 0.711622250000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 96 coordinates: [ 0.596734600000000, 0.916666666666667, 0.711622250000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 97 coordinates: [ 0.496078830000000, 0.250000000000000, 0.429751490000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.496078830000000, 0.583333333333333, 0.429751490000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.496078830000000, 0.916666666666667, 0.429751490000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.503921170000000, 0.083333333333333, 0.570248510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.503921170000000, 0.416666666666667, 0.570248510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 102 coordinates: [ 0.503921170000000, 0.750000000000000, 0.570248510000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 103 coordinates: [ 0.403265400000000, 0.083333333333333, 0.288377750000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.403265400000000, 0.416666666666667, 0.288377750000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.403265400000000, 0.750000000000000, 0.288377750000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.282275540000000, 0.250000000000000, 0.130614490000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.282275540000000, 0.583333333333333, 0.130614490000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 108 coordinates: [ 0.282275540000000, 0.916666666666667, 0.130614490000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 109 coordinates: [ 0.637793300000000, 0.083333333333333, 0.996409000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.637793300000000, 0.416666666666667, 0.996409000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.637793300000000, 0.750000000000000, 0.996409000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.490605930000000, 0.083333333333333, 0.858789010000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.490605930000000, 0.416666666666667, 0.858789010000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 114 coordinates: [ 0.490605930000000, 0.750000000000000, 0.858789010000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 115 coordinates: [ 0.092071400000000, 0.083333333333333, 0.054119780000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.092071400000000, 0.416666666666667, 0.054119780000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.092071400000000, 0.750000000000000, 0.054119780000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 118 coordinates: [ 0.311226090000000, 0.250000000000000, 0.654192610000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.311226090000000, 0.583333333333333, 0.654192610000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 120 coordinates: [ 0.311226090000000, 0.916666666666667, 0.654192610000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 121 coordinates: [ 0.261942710000000, 0.250000000000000, 0.497417980000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.261942710000000, 0.583333333333333, 0.497417980000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.261942710000000, 0.916666666666667, 0.497417980000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.136865230000000, 0.083333333333333, 0.345209830000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.136865230000000, 0.416666666666667, 0.345209830000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 126 coordinates: [ 0.136865230000000, 0.750000000000000, 0.345209830000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 127 coordinates: [ 0.043551520000000, 0.250000000000000, 0.185059300000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.043551520000000, 0.583333333333333, 0.185059300000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.043551520000000, 0.916666666666667, 0.185059300000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.111072150000000, 0.083333333333333, 0.727343430000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.111072150000000, 0.416666666666667, 0.727343430000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 132 coordinates: [ 0.111072150000000, 0.750000000000000, 0.727343430000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 133 coordinates: [ 0.097887800000000, 0.250000000000000, 0.574534590000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.097887800000000, 0.583333333333333, 0.574534590000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.097887800000000, 0.916666666666667, 0.574534590000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.179707760000000, 0.083333333333333, 0.879812680000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.179707760000000, 0.416666666666667, 0.879812680000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 138 coordinates: [ 0.179707760000000, 0.750000000000000, 0.879812680000000 ] mass: 15.999400 reduced_to: 136displacements:- atom: 1 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0526337500000000, 0.0000000000000000, 0.0184014900000000 ] - [ -0.0009210700000000, 0.0002735500000000, 0.0003363000000000 ] - [ -0.0009210700000000, -0.0002735500000000, 0.0003363000000000 ] - [ -0.0005577400000000, -0.0003599700000000, 0.0007730900000000 ] - [ -0.0002581700000000, 0.0000000000000000, 0.0002657800000000 ] - [ -0.0005577400000000, 0.0003599700000000, 0.0007730900000000 ] - [ 0.0001154400000000, 0.0000000000000000, -0.0001284900000000 ] - [ 0.0001113200000000, -0.0000482000000000, -0.0001767700000000 ] - [ 0.0001113200000000, 0.0000482000000000, -0.0001767700000000 ] - [ 0.0001958100000000, -0.0000012000000000, -0.0000710200000000 ] - [ 0.0002139400000000, 0.0000000000000000, -0.0001158800000000 ] - [ 0.0001958100000000, 0.0000012000000000, -0.0000710200000000 ] - [ 0.0000261800000000, 0.0000000000000000, -0.0006520400000000 ] - [ 0.0001529400000000, 0.0003203400000000, -0.0000733400000000 ] - [ 0.0001529400000000, -0.0003203400000000, -0.0000733400000000 ] - [ -0.0004319700000000, 0.0000000000000000, -0.0002671200000000 ] - [ 0.0001968600000000, -0.0000072200000000, -0.0000201100000000 ] - [ 0.0001968600000000, 0.0000072200000000, -0.0000201100000000 ] - [ 0.0000028800000000, -0.0000283600000000, 0.0006004600000000 ] - [ -0.0000030200000000, 0.0000000000000000, 0.0006530000000000 ] - [ 0.0000028800000000, 0.0000283600000000, 0.0006004600000000 ] - [ 0.0008865700000000, -0.0004058000000000, -0.0013370800000000 ] - [ 0.0004012000000000, 0.0000000000000000, -0.0007332700000000 ] - [ 0.0008865700000000, 0.0004058000000000, -0.0013370800000000 ] - [ 0.0065749400000000, -0.0056574500000000, 0.0005772600000000 ] - [ 0.0000146300000000, 0.0000000000000000, 0.0000679600000000 ] - [ 0.0065749400000000, 0.0056574500000000, 0.0005772600000000 ] - [ -0.0003592600000000, 0.0000000000000000, -0.0000273200000000 ] - [ -0.0003913800000000, 0.0000358900000000, -0.0001937400000000 ] - [ -0.0003913800000000, -0.0000358900000000, -0.0001937400000000 ] - [ 0.0022504700000000, 0.0000000000000000, 0.0004764800000000 ] - [ 0.0004761400000000, -0.0000126300000000, -0.0000037700000000 ] - [ 0.0004761400000000, 0.0000126300000000, -0.0000037700000000 ] - [ 0.0033683600000000, 0.0000000000000000, -0.0019699800000000 ] - [ 0.0015462500000000, 0.0005770900000000, -0.0007282600000000 ] - [ 0.0015462500000000, -0.0005770900000000, -0.0007282600000000 ] - [ 0.0035807400000000, 0.0062184900000000, 0.0067653200000000 ] - [ -0.0005422900000000, 0.0000000000000000, 0.0006322500000000 ] - [ 0.0035807400000000, -0.0062184900000000, 0.0067653200000000 ] - [ 0.0004721200000000, 0.0000340900000000, -0.0005038200000000 ] - [ 0.0001912500000000, 0.0000000000000000, -0.0004543200000000 ] - [ 0.0004721200000000, -0.0000340900000000, -0.0005038200000000 ] - [ 0.0018379400000000, 0.0035026900000000, -0.0058959300000000 ] - [ 0.0000788700000000, 0.0000000000000000, -0.0003466300000000 ] - [ 0.0018379400000000, -0.0035026900000000, -0.0058959300000000 ] - [ -0.0058377100000000, 0.0000000000000000, -0.0156043400000000 ] - [ -0.0016075100000000, -0.0002689400000000, -0.0004062000000000 ] - [ -0.0016075100000000, 0.0002689400000000, -0.0004062000000000 ] - [ 0.0017155900000000, 0.0000173300000000, 0.0012144400000000 ] - [ 0.0005791400000000, 0.0000000000000000, 0.0005057600000000 ] - [ 0.0017155900000000, -0.0000173300000000, 0.0012144400000000 ] - [ -0.0001951000000000, 0.0000000000000000, -0.0002228500000000 ] - [ -0.0002139300000000, -0.0000069400000000, -0.0003544000000000 ] - [ -0.0002139300000000, 0.0000069400000000, -0.0003544000000000 ] - [ 0.0004959500000000, 0.0000339500000000, 0.0000177500000000 ] - [ 0.0006078500000000, 0.0000000000000000, -0.0003239200000000 ] - [ 0.0004959500000000, -0.0000339500000000, 0.0000177500000000 ] - [ 0.0000985300000000, 0.0000000000000000, 0.0001608800000000 ] - [ 0.0000849400000000, -0.0000024500000000, 0.0001277300000000 ] - [ 0.0000849400000000, 0.0000024500000000, 0.0001277300000000 ] - [ 0.0002977400000000, 0.0001309300000000, 0.0012529700000000 ] - [ -0.0007096400000000, 0.0000000000000000, -0.0005809000000000 ] - [ 0.0002977400000000, -0.0001309300000000, 0.0012529700000000 ] - [ 0.0087557600000000, 0.0000000000000000, 0.0007074500000000 ] - [ 0.0023305600000000, -0.0003717100000000, -0.0002517400000000 ] - [ 0.0023305600000000, 0.0003717100000000, -0.0002517400000000 ] - [ 0.0048703800000000, 0.0025954200000000, -0.0002037400000000 ] - [ 0.0001168500000000, 0.0000000000000000, 0.0004427400000000 ] - [ 0.0048703800000000, -0.0025954200000000, -0.0002037400000000 ] - [ -0.0002778000000000, 0.0000000000000000, 0.0002315300000000 ] - [ -0.0002692300000000, 0.0000171800000000, 0.0002473600000000 ] - [ -0.0002692300000000, -0.0000171800000000, 0.0002473600000000 ] - [ 0.0004618600000000, 0.0001056800000000, 0.0001917800000000 ] - [ 0.0003291500000000, 0.0000000000000000, 0.0000770400000000 ] - [ 0.0004618600000000, -0.0001056800000000, 0.0001917800000000 ] - [ 0.0003642400000000, 0.0000000000000000, 0.0042485800000000 ] - [ -0.0002590800000000, 0.0001100300000000, 0.0007141700000000 ] - [ -0.0002590800000000, -0.0001100300000000, 0.0007141700000000 ] - [ 0.0224863800000000, 0.0000000000000000, -0.0102328400000000 ] - [ 0.0001032300000000, 0.0004937000000000, -0.0010471500000000 ] - [ 0.0001032300000000, -0.0004937000000000, -0.0010471500000000 ] - [ -0.0010454200000000, -0.0001418600000000, 0.0009041600000000 ] - [ -0.0010110200000000, 0.0000000000000000, 0.0008915500000000 ] - [ -0.0010454200000000, 0.0001418600000000, 0.0009041600000000 ] - [ -0.0007350700000000, 0.0003190300000000, -0.0017878100000000 ] - [ 0.0000207000000000, 0.0000000000000000, -0.0007999200000000 ] - [ -0.0007350700000000, -0.0003190300000000, -0.0017878100000000 ] - [ -0.0007735900000000, 0.0000310200000000, -0.0000010000000000 ] - [ -0.0004627100000000, 0.0000000000000000, 0.0004051400000000 ] - [ -0.0007735900000000, -0.0000310200000000, -0.0000010000000000 ] - [ 0.0006928800000000, 0.0000000000000000, 0.0002129100000000 ] - [ 0.0006216900000000, 0.0000184300000000, 0.0002385800000000 ] - [ 0.0006216900000000, -0.0000184300000000, 0.0002385800000000 ] - [ 0.0002410600000000, -0.0000552400000000, 0.0006187300000000 ] - [ 0.0003235900000000, 0.0000000000000000, 0.0005399100000000 ] - [ 0.0002410600000000, 0.0000552400000000, 0.0006187300000000 ] - [ -0.0014831700000000, -0.0000627200000000, 0.0011725600000000 ] - [ -0.0004896700000000, 0.0000000000000000, 0.0003851600000000 ] - [ -0.0014831700000000, 0.0000627200000000, 0.0011725600000000 ] - [ 0.0001289500000000, 0.0000000000000000, -0.0003056300000000 ] - [ 0.0003053500000000, 0.0001694800000000, 0.0000984600000000 ] - [ 0.0003053500000000, -0.0001694800000000, 0.0000984600000000 ] - [ -0.0023550300000000, 0.0000000000000000, -0.0004266600000000 ] - [ -0.0019605500000000, 0.0017686100000000, -0.0002385000000000 ] - [ -0.0019605500000000, -0.0017686100000000, -0.0002385000000000 ] - [ -0.0016116700000000, -0.0001964900000000, -0.0000429500000000 ] - [ -0.0010563700000000, 0.0000000000000000, -0.0001016100000000 ] - [ -0.0016116700000000, 0.0001964900000000, -0.0000429500000000 ] - [ 0.0006306100000000, 0.0000000000000000, -0.0006879600000000 ] - [ 0.0004642400000000, 0.0000231900000000, -0.0004480300000000 ] - [ 0.0004642400000000, -0.0000231900000000, -0.0004480300000000 ] - [ -0.0001192300000000, 0.0000000000000000, 0.0004846400000000 ] - [ -0.0000942800000000, 0.0000130900000000, 0.0005790700000000 ] - [ -0.0000942800000000, -0.0000130900000000, 0.0005790700000000 ] - [ 0.0007043200000000, 0.0000000000000000, -0.0003407400000000 ] - [ 0.0006704700000000, -0.0000397400000000, -0.0005886400000000 ] - [ 0.0006704700000000, 0.0000397400000000, -0.0005886400000000 ] - [ 0.0004246600000000, -0.0000069300000000, 0.0013282400000000 ] - [ 0.0004975200000000, 0.0000000000000000, 0.0015474100000000 ] - [ 0.0004246600000000, 0.0000069300000000, 0.0013282400000000 ] - [ -0.0002189800000000, -0.0000968000000000, -0.0009568300000000 ] - [ 0.0002146800000000, 0.0000000000000000, -0.0005363100000000 ] - [ -0.0002189800000000, 0.0000968000000000, -0.0009568300000000 ] - [ -0.0038942000000000, 0.0000000000000000, -0.0017882300000000 ] - [ -0.0009564700000000, -0.0007017900000000, 0.0000422700000000 ] - [ -0.0009564700000000, 0.0007017900000000, 0.0000422700000000 ] - [ -0.0014586800000000, -0.0007819500000000, 0.0003929200000000 ] - [ 0.0000124500000000, 0.0000000000000000, -0.0001049300000000 ] - [ -0.0014586800000000, 0.0007819500000000, 0.0003929200000000 ] - [ -0.0000882300000000, 0.0000000000000000, -0.0004429500000000 ] - [ -0.0000923500000000, -0.0000125500000000, -0.0004700600000000 ] - [ -0.0000923500000000, 0.0000125500000000, -0.0004700600000000 ] - [ -0.0011353400000000, 0.0000920900000000, -0.0004583200000000 ] - [ -0.0013053100000000, 0.0000000000000000, -0.0000796400000000 ] - [ -0.0011353400000000, -0.0000920900000000, -0.0004583200000000 ] - [ 0.0007018000000000, 0.0000000000000000, 0.0006725500000000 ] - [ 0.0007156400000000, 0.0000227700000000, 0.0006977400000000 ] - [ 0.0007156400000000, -0.0000227700000000, 0.0006977400000000 ]- atom: 1 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0536754700000000, 0.0000000000000000, -0.0189374400000000 ] - [ 0.0005207600000000, -0.0002806500000000, -0.0000925100000000 ] - [ 0.0005207600000000, 0.0002806500000000, -0.0000925100000000 ] - [ 0.0003362100000000, 0.0003605200000000, -0.0003090800000000 ] - [ 0.0000318800000000, 0.0000000000000000, 0.0001980900000000 ] - [ 0.0003362100000000, -0.0003605200000000, -0.0003090800000000 ] - [ 0.0001119100000000, 0.0000000000000000, -0.0003374000000000 ] - [ 0.0001163200000000, 0.0000485700000000, -0.0002886600000000 ] - [ 0.0001163200000000, -0.0000485700000000, -0.0002886600000000 ] - [ 0.0002108600000000, 0.0000007100000000, -0.0001753200000000 ] - [ 0.0001944000000000, 0.0000000000000000, -0.0001278200000000 ] - [ 0.0002108600000000, -0.0000007100000000, -0.0001753200000000 ] - [ 0.0001577900000000, 0.0000000000000000, 0.0015317100000000 ] - [ 0.0000357600000000, -0.0003246700000000, 0.0009485300000000 ] - [ 0.0000357600000000, 0.0003246700000000, 0.0009485300000000 ] - [ 0.0014518500000000, 0.0000000000000000, 0.0000161500000000 ] - [ 0.0008232800000000, 0.0000049800000000, -0.0002137800000000 ] - [ 0.0008232800000000, -0.0000049800000000, -0.0002137800000000 ] - [ 0.0001103500000000, 0.0000280400000000, 0.0012472200000000 ] - [ 0.0001158100000000, 0.0000000000000000, 0.0011958700000000 ] - [ 0.0001103500000000, -0.0000280400000000, 0.0012472200000000 ] - [ 0.0001447100000000, 0.0004055900000000, 0.0004658000000000 ] - [ 0.0006254000000000, 0.0000000000000000, -0.0001395300000000 ] - [ 0.0001447100000000, -0.0004055900000000, 0.0004658000000000 ] - [ -0.0056027500000000, 0.0056917600000000, -0.0004560400000000 ] - [ 0.0010035500000000, 0.0000000000000000, 0.0000411300000000 ] - [ -0.0056027500000000, -0.0056917600000000, -0.0004560400000000 ] - [ -0.0006542300000000, 0.0000000000000000, -0.0000781900000000 ] - [ -0.0006212500000000, -0.0000356900000000, 0.0000860800000000 ] - [ -0.0006212500000000, 0.0000356900000000, 0.0000860800000000 ] - [ -0.0032587500000000, 0.0000000000000000, 0.0004123900000000 ] - [ -0.0015041500000000, 0.0000153500000000, 0.0008811900000000 ] - [ -0.0015041500000000, -0.0000153500000000, 0.0008811900000000 ] - [ -0.0034678700000000, 0.0000000000000000, 0.0000982800000000 ] - [ -0.0016628900000000, -0.0005747400000000, -0.0011217400000000 ] - [ -0.0016628900000000, 0.0005747400000000, -0.0011217400000000 ] - [ -0.0046232500000000, -0.0061502800000000, -0.0064907500000000 ] - [ -0.0004811500000000, 0.0000000000000000, -0.0004016600000000 ] - [ -0.0046232500000000, 0.0061502800000000, -0.0064907500000000 ] - [ -0.0006671800000000, -0.0000336800000000, -0.0003712400000000 ] - [ -0.0003852700000000, 0.0000000000000000, -0.0004197700000000 ] - [ -0.0006671800000000, 0.0000336800000000, -0.0003712400000000 ] - [ -0.0020093500000000, -0.0034681800000000, 0.0056136400000000 ] - [ -0.0002038900000000, 0.0000000000000000, 0.0000543300000000 ] - [ -0.0020093500000000, 0.0034681800000000, 0.0056136400000000 ] - [ 0.0049168300000000, 0.0000000000000000, 0.0161420300000000 ] - [ 0.0006279200000000, 0.0002666800000000, 0.0009401900000000 ] - [ 0.0006279200000000, -0.0002666800000000, 0.0009401900000000 ] - [ -0.0014981300000000, -0.0000183300000000, -0.0006168300000000 ] - [ -0.0003558300000000, 0.0000000000000000, 0.0000969100000000 ] - [ -0.0014981300000000, 0.0000183300000000, -0.0006168300000000 ] - [ -0.0000259600000000, 0.0000000000000000, -0.0003821500000000 ] - [ -0.0000072700000000, 0.0000071400000000, -0.0002497600000000 ] - [ -0.0000072700000000, -0.0000071400000000, -0.0002497600000000 ] - [ 0.0004833200000000, -0.0000339300000000, -0.0005472700000000 ] - [ 0.0003747600000000, 0.0000000000000000, -0.0002074600000000 ] - [ 0.0004833200000000, 0.0000339300000000, -0.0005472700000000 ] - [ 0.0000234000000000, 0.0000000000000000, 0.0001285400000000 ] - [ 0.0000354300000000, 0.0000024300000000, 0.0001646000000000 ] - [ 0.0000354300000000, -0.0000024300000000, 0.0001646000000000 ] - [ -0.0018056400000000, -0.0001254700000000, -0.0026288500000000 ] - [ -0.0008033900000000, 0.0000000000000000, -0.0007798400000000 ] - [ -0.0018056400000000, 0.0001254700000000, -0.0026288500000000 ] - [ -0.0062361600000000, 0.0000000000000000, -0.0007289000000000 ] - [ 0.0001933000000000, 0.0003716600000000, 0.0002090200000000 ] - [ 0.0001933000000000, -0.0003716600000000, 0.0002090200000000 ] - [ -0.0046563400000000, -0.0024562400000000, 0.0011689800000000 ] - [ 0.0000748200000000, 0.0000000000000000, 0.0005536900000000 ] - [ -0.0046563400000000, 0.0024562400000000, 0.0011689800000000 ] - [ -0.0002099000000000, 0.0000000000000000, 0.0001464400000000 ] - [ -0.0002171100000000, -0.0000170300000000, 0.0001301100000000 ] - [ -0.0002171100000000, 0.0000170300000000, 0.0001301100000000 ] - [ -0.0000297000000000, -0.0001006200000000, -0.0002151400000000 ] - [ 0.0001056800000000, 0.0000000000000000, -0.0001008400000000 ] - [ -0.0000297000000000, 0.0001006200000000, -0.0002151400000000 ] - [ -0.0014195500000000, 0.0000000000000000, -0.0030689800000000 ] - [ -0.0007952900000000, -0.0001099800000000, 0.0004583000000000 ] - [ -0.0007952900000000, 0.0001099800000000, 0.0004583000000000 ] - [ -0.0250021100000000, 0.0000000000000000, 0.0079521500000000 ] - [ -0.0011986700000000, -0.0004945000000000, -0.0020666800000000 ] - [ -0.0011986700000000, 0.0004945000000000, -0.0020666800000000 ] - [ -0.0005846100000000, 0.0001437200000000, 0.0003133600000000 ] - [ -0.0006193100000000, 0.0000000000000000, 0.0003248200000000 ] - [ -0.0005846100000000, -0.0001437200000000, 0.0003133600000000 ] - [ 0.0010949900000000, -0.0003226400000000, 0.0007852900000000 ] - [ 0.0003357800000000, 0.0000000000000000, -0.0002072700000000 ] - [ 0.0010949900000000, 0.0003226400000000, 0.0007852900000000 ] - [ 0.0001898700000000, -0.0000294400000000, 0.0009844000000000 ] - [ -0.0001223800000000, 0.0000000000000000, 0.0005732200000000 ] - [ 0.0001898700000000, 0.0000294400000000, 0.0009844000000000 ] - [ 0.0003676200000000, 0.0000000000000000, 0.0000522800000000 ] - [ 0.0004385600000000, -0.0000184400000000, 0.0000271200000000 ] - [ 0.0004385600000000, 0.0000184400000000, 0.0000271200000000 ] - [ 0.0004388600000000, 0.0000546500000000, 0.0001434000000000 ] - [ 0.0003563100000000, 0.0000000000000000, 0.0002225100000000 ] - [ 0.0004388600000000, -0.0000546500000000, 0.0001434000000000 ] - [ 0.0005756200000000, 0.0000594900000000, -0.0011601900000000 ] - [ -0.0004163500000000, 0.0000000000000000, -0.0003685900000000 ] - [ 0.0005756200000000, -0.0000594900000000, -0.0011601900000000 ] - [ 0.0007725100000000, 0.0000000000000000, 0.0002759600000000 ] - [ 0.0006001100000000, -0.0001695700000000, -0.0001201300000000 ] - [ 0.0006001100000000, 0.0001695700000000, -0.0001201300000000 ] - [ 0.0016749300000000, 0.0000000000000000, -0.0003413900000000 ] - [ 0.0012861000000000, -0.0017771300000000, -0.0005269800000000 ] - [ 0.0012861000000000, 0.0017771300000000, -0.0005269800000000 ] - [ 0.0005525100000000, 0.0001952100000000, -0.0002224000000000 ] - [ -0.0000040400000000, 0.0000000000000000, -0.0001641800000000 ] - [ 0.0005525100000000, -0.0001952100000000, -0.0002224000000000 ] - [ -0.0000458300000000, 0.0000000000000000, -0.0002930300000000 ] - [ 0.0001209000000000, -0.0000222500000000, -0.0005334100000000 ] - [ 0.0001209000000000, 0.0000222500000000, -0.0005334100000000 ] - [ -0.0002365400000000, 0.0000000000000000, 0.0005201400000000 ] - [ -0.0002640300000000, -0.0000131200000000, 0.0004272600000000 ] - [ -0.0002640300000000, 0.0000131200000000, 0.0004272600000000 ] - [ 0.0009331100000000, 0.0000000000000000, -0.0008742800000000 ] - [ 0.0009648200000000, 0.0000390700000000, -0.0006293700000000 ] - [ 0.0009648200000000, -0.0000390700000000, -0.0006293700000000 ] - [ 0.0006671100000000, 0.0000068400000000, 0.0017813900000000 ] - [ 0.0005930400000000, 0.0000000000000000, 0.0015625200000000 ] - [ 0.0006671100000000, -0.0000068400000000, 0.0017813900000000 ] - [ 0.0012788800000000, 0.0000941300000000, -0.0002204200000000 ] - [ 0.0008412600000000, 0.0000000000000000, -0.0006390800000000 ] - [ 0.0012788800000000, -0.0000941300000000, -0.0002204200000000 ] - [ 0.0034102400000000, 0.0000000000000000, 0.0017767500000000 ] - [ 0.0005260700000000, 0.0007023500000000, -0.0000189200000000 ] - [ 0.0005260700000000, -0.0007023500000000, -0.0000189200000000 ] - [ 0.0019671100000000, 0.0007666700000000, -0.0007719200000000 ] - [ 0.0004787000000000, 0.0000000000000000, -0.0002736600000000 ] - [ 0.0019671100000000, -0.0007666700000000, -0.0007719200000000 ] - [ -0.0000991200000000, 0.0000000000000000, -0.0005483000000000 ] - [ -0.0000970700000000, 0.0000129800000000, -0.0005266700000000 ] - [ -0.0000970700000000, -0.0000129800000000, -0.0005266700000000 ] - [ -0.0013823600000000, -0.0000894700000000, 0.0005020800000000 ] - [ -0.0012144500000000, 0.0000000000000000, 0.0001224000000000 ] - [ -0.0013823600000000, 0.0000894700000000, 0.0005020800000000 ] - [ 0.0008119100000000, 0.0000000000000000, 0.0006889300000000 ] - [ 0.0007988500000000, -0.0000229400000000, 0.0006623600000000 ] - [ 0.0007988500000000, 0.0000229400000000, 0.0006623600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007809500000000, -0.0404010500000000, 0.0003502300000000 ] - [ -0.0004813100000000, 0.0025497200000000, 0.0005098700000000 ] - [ 0.0000826100000000, 0.0025317600000000, -0.0002658300000000 ] - [ -0.0005989300000000, -0.0000454700000000, -0.0005100700000000 ] - [ -0.0001153600000000, 0.0002574600000000, 0.0002246000000000 ] - [ 0.0003714400000000, -0.0000426800000000, 0.0009663800000000 ] - [ 0.0001167900000000, -0.0000818200000000, -0.0002269600000000 ] - [ 0.0000769900000000, 0.0000422600000000, -0.0002529800000000 ] - [ 0.0001530100000000, 0.0000421800000000, -0.0002158200000000 ] - [ 0.0002017900000000, -0.0000328800000000, -0.0000111200000000 ] - [ 0.0002045600000000, 0.0000661000000000, -0.0001211000000000 ] - [ 0.0002061700000000, -0.0000323700000000, -0.0002305100000000 ] - [ 0.0000937200000000, -0.0029631600000000, 0.0004377500000000 ] - [ 0.0008095600000000, 0.0015505100000000, -0.0010010200000000 ] - [ -0.0006191400000000, 0.0015501300000000, 0.0018727300000000 ] - [ 0.0005075900000000, -0.0005113300000000, -0.0001264300000000 ] - [ 0.0003609800000000, 0.0003276800000000, 0.0004418500000000 ] - [ 0.0006581600000000, 0.0003304500000000, -0.0006724700000000 ] - [ 0.0001178000000000, -0.0000815500000000, 0.0009027900000000 ] - [ 0.0000558400000000, 0.0001590500000000, 0.0009225800000000 ] - [ -0.0000058200000000, -0.0000804300000000, 0.0009413800000000 ] - [ 0.0004512700000000, -0.0002563300000000, -0.0002125400000000 ] - [ 0.0005118600000000, 0.0005280600000000, -0.0004365700000000 ] - [ 0.0005782500000000, -0.0002506000000000, -0.0006634300000000 ] - [ -0.0027505700000000, -0.0002902500000000, 0.0007587500000000 ] - [ 0.0005044200000000, 0.0015416100000000, 0.0000522700000000 ] - [ 0.0037592900000000, -0.0002639000000000, -0.0006474000000000 ] - [ -0.0005074800000000, -0.0003599800000000, -0.0000534900000000 ] - [ -0.0004323100000000, 0.0001802200000000, -0.0000179100000000 ] - [ -0.0005829600000000, 0.0001807900000000, -0.0000891000000000 ] - [ -0.0005114900000000, -0.0009206200000000, 0.0004362500000000 ] - [ -0.0000201100000000, 0.0004573200000000, 0.0006296400000000 ] - [ -0.0010049200000000, 0.0004579900000000, 0.0002463500000000 ] - [ -0.0000574400000000, -0.0025843800000000, -0.0009222200000000 ] - [ 0.0011249300000000, 0.0012729300000000, -0.0013850000000000 ] - [ -0.0012372100000000, 0.0012735400000000, -0.0004610800000000 ] - [ 0.0079508100000000, 0.0011591900000000, 0.0086910700000000 ] - [ -0.0005075700000000, 0.0023059900000000, 0.0001169200000000 ] - [ -0.0089259800000000, 0.0011764600000000, -0.0084150700000000 ] - [ -0.0000599100000000, -0.0002272000000000, -0.0007223500000000 ] - [ -0.0000945900000000, 0.0004561300000000, -0.0004362900000000 ] - [ -0.0001294000000000, -0.0002255000000000, -0.0001499900000000 ] - [ 0.0062819500000000, 0.0022789900000000, -0.0105052700000000 ] - [ -0.0000622700000000, 0.0004717200000000, -0.0001460700000000 ] - [ -0.0063823200000000, 0.0022374700000000, 0.0101999900000000 ] - [ -0.0004688900000000, -0.0036701300000000, 0.0002144600000000 ] - [ -0.0009831300000000, 0.0002398700000000, 0.0013088400000000 ] - [ -0.0000013100000000, 0.0002374200000000, -0.0007678000000000 ] - [ -0.0003578800000000, 0.0000041000000000, -0.0001260100000000 ] - [ 0.0001124900000000, -0.0000732000000000, 0.0003012200000000 ] - [ 0.0005863500000000, 0.0000036200000000, 0.0007282500000000 ] - [ -0.0001137600000000, 0.0000234700000000, -0.0003010100000000 ] - [ -0.0001265400000000, -0.0000091400000000, -0.0005755000000000 ] - [ -0.0001002600000000, -0.0000090700000000, -0.0000267000000000 ] - [ 0.0005171800000000, 0.0000057300000000, 0.0003754400000000 ] - [ 0.0004913600000000, 0.0000057900000000, -0.0002645600000000 ] - [ 0.0004635000000000, 0.0000053300000000, -0.0009023100000000 ] - [ 0.0000638400000000, 0.0000349400000000, 0.0001450100000000 ] - [ -0.0000279200000000, -0.0000148800000000, 0.0002591300000000 ] - [ 0.0001539800000000, -0.0000150000000000, 0.0000338700000000 ] - [ -0.0009833100000000, -0.0003607900000000, 0.0044566100000000 ] - [ -0.0007512100000000, -0.0005172200000000, -0.0006777800000000 ] - [ -0.0005222900000000, -0.0003623000000000, -0.0057956100000000 ] - [ 0.0012735200000000, 0.0055530100000000, -0.0000162300000000 ] - [ 0.0012314900000000, -0.0009091600000000, -0.0009048700000000 ] - [ 0.0012925100000000, -0.0009049700000000, 0.0008628100000000 ] - [ 0.0008451600000000, 0.0117608200000000, -0.0013036400000000 ] - [ 0.0000980000000000, -0.0012124400000000, 0.0004964900000000 ] - [ -0.0002099000000000, 0.0107803400000000, 0.0020889100000000 ] - [ -0.0002455700000000, 0.0000936100000000, 0.0001899900000000 ] - [ -0.0001663200000000, -0.0000478700000000, 0.0001437800000000 ] - [ -0.0003236600000000, -0.0000485300000000, 0.0002359600000000 ] - [ 0.0002162700000000, 0.0001595200000000, -0.0000290300000000 ] - [ 0.0002167000000000, -0.0003778300000000, -0.0000106100000000 ] - [ 0.0002162900000000, 0.0001534400000000, 0.0000081400000000 ] - [ -0.0005338500000000, -0.0004216100000000, 0.0006062600000000 ] - [ -0.0001628700000000, 0.0000146600000000, -0.0000530700000000 ] - [ -0.0008935400000000, 0.0000133500000000, 0.0012352500000000 ] - [ -0.0004983700000000, 0.0056763400000000, -0.0015916300000000 ] - [ 0.0002968500000000, -0.0009044200000000, -0.0018971100000000 ] - [ -0.0013908500000000, -0.0008979800000000, -0.0012205500000000 ] - [ -0.0006893100000000, 0.0006053400000000, 0.0005986400000000 ] - [ -0.0008174000000000, -0.0013433800000000, 0.0006111700000000 ] - [ -0.0009442100000000, 0.0006045200000000, 0.0006236800000000 ] - [ 0.0007865900000000, -0.0000141300000000, -0.0002521500000000 ] - [ 0.0001719100000000, -0.0001069300000000, -0.0005030300000000 ] - [ -0.0004448800000000, -0.0000157300000000, -0.0007568700000000 ] - [ -0.0001627300000000, 0.0000111800000000, 0.0007008800000000 ] - [ -0.0002976300000000, -0.0000062500000000, 0.0004972200000000 ] - [ -0.0004333200000000, 0.0000098200000000, 0.0002965500000000 ] - [ 0.0005319100000000, 0.0000170200000000, 0.0001343900000000 ] - [ 0.0004661100000000, -0.0000031500000000, 0.0004049500000000 ] - [ 0.0005959500000000, -0.0000037300000000, -0.0001348600000000 ] - [ 0.0004180800000000, 0.0000960600000000, 0.0003256900000000 ] - [ 0.0003420100000000, -0.0001814700000000, 0.0003821200000000 ] - [ 0.0002650900000000, 0.0000958500000000, 0.0004400800000000 ] - [ -0.0002857600000000, 0.0003151500000000, -0.0003104200000000 ] - [ -0.0004521100000000, -0.0005278700000000, 0.0000102200000000 ] - [ -0.0006217400000000, 0.0003119100000000, 0.0003299600000000 ] - [ 0.0004524200000000, 0.0003472500000000, -0.0000094600000000 ] - [ 0.0002729900000000, -0.0001772600000000, -0.0002144200000000 ] - [ 0.0006315300000000, -0.0001791200000000, 0.0001931200000000 ] - [ -0.0003424700000000, 0.0010252300000000, -0.0003831800000000 ] - [ -0.0004937300000000, -0.0004982500000000, -0.0003992900000000 ] - [ -0.0001905500000000, -0.0005023400000000, -0.0003649100000000 ] - [ -0.0002684400000000, 0.0003174800000000, -0.0002129900000000 ] - [ -0.0005311000000000, -0.0006131700000000, -0.0001343700000000 ] - [ -0.0007962800000000, 0.0003168500000000, -0.0000555300000000 ] - [ 0.0002980100000000, 0.0003691200000000, -0.0004979500000000 ] - [ 0.0003586300000000, -0.0001732200000000, -0.0001933900000000 ] - [ 0.0002369600000000, -0.0001730400000000, -0.0008027600000000 ] - [ -0.0001704100000000, 0.0000162000000000, 0.0005042400000000 ] - [ -0.0000980000000000, -0.0000061600000000, 0.0006091300000000 ] - [ -0.0002457300000000, -0.0000062800000000, 0.0004006500000000 ] - [ 0.0008172900000000, 0.0004821700000000, -0.0006109500000000 ] - [ 0.0005908300000000, -0.0002278800000000, -0.0002134300000000 ] - [ 0.0010420800000000, -0.0002283700000000, -0.0010066400000000 ] - [ 0.0003615900000000, 0.0000385000000000, 0.0011400200000000 ] - [ 0.0005497500000000, -0.0000776000000000, 0.0015572500000000 ] - [ 0.0007392000000000, 0.0000382700000000, 0.0019732200000000 ] - [ -0.0007264600000000, 0.0001251500000000, -0.0013065700000000 ] - [ 0.0005288900000000, -0.0002475400000000, -0.0005936100000000 ] - [ 0.0017799700000000, 0.0001245500000000, 0.0001158600000000 ] - [ -0.0002119000000000, 0.0024025200000000, 0.0000142300000000 ] - [ -0.0008935200000000, -0.0012550800000000, -0.0003012300000000 ] - [ 0.0004613900000000, -0.0012578900000000, 0.0003237600000000 ] - [ -0.0050205200000000, 0.0004524900000000, 0.0015753800000000 ] - [ 0.0002445200000000, -0.0005381200000000, -0.0001893400000000 ] - [ 0.0055038400000000, 0.0004611200000000, -0.0019477600000000 ] - [ -0.0000987600000000, 0.0001216200000000, -0.0004921500000000 ] - [ -0.0001146300000000, -0.0000567000000000, -0.0006858300000000 ] - [ -0.0000846100000000, -0.0000576100000000, -0.0003053900000000 ] - [ -0.0010325500000000, 0.0000884000000000, -0.0008771900000000 ] - [ -0.0012636600000000, -0.0001525000000000, 0.0000185100000000 ] - [ -0.0014923800000000, 0.0000860100000000, 0.0009114500000000 ] - [ 0.0007502200000000, 0.0001155800000000, 0.0006783100000000 ] - [ 0.0007830300000000, -0.0000536300000000, 0.0005887700000000 ] - [ 0.0007182300000000, -0.0000539900000000, 0.0007664800000000 ]- atom: 1 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0312394600000000, 0.0000000000000000, -0.0386726900000000 ] - [ 0.0001862800000000, -0.0004477700000000, -0.0005093900000000 ] - [ 0.0001862800000000, 0.0004477700000000, -0.0005093900000000 ] - [ 0.0006203900000000, -0.0005400300000000, 0.0010466900000000 ] - [ 0.0000440900000000, 0.0000000000000000, 0.0001995800000000 ] - [ 0.0006203900000000, 0.0005400300000000, 0.0010466900000000 ] - [ 0.0002095500000000, 0.0000000000000000, -0.0000866800000000 ] - [ 0.0001394500000000, -0.0000126300000000, -0.0001366500000000 ] - [ 0.0001394500000000, 0.0000126300000000, -0.0001366500000000 ] - [ 0.0002526900000000, 0.0001067900000000, 0.0000315100000000 ] - [ 0.0002038600000000, 0.0000000000000000, -0.0000065100000000 ] - [ 0.0002526900000000, -0.0001067900000000, 0.0000315100000000 ] - [ -0.0017187500000000, 0.0000000000000000, 0.0037463400000000 ] - [ -0.0005160500000000, -0.0012978200000000, 0.0017336100000000 ] - [ -0.0005160500000000, 0.0012978200000000, 0.0017336100000000 ] - [ 0.0010235700000000, 0.0000000000000000, 0.0042722200000000 ] - [ 0.0007694200000000, 0.0005673800000000, 0.0002040600000000 ] - [ 0.0007694200000000, -0.0005673800000000, 0.0002040600000000 ] - [ -0.0001015200000000, 0.0000330100000000, 0.0024415600000000 ] - [ 0.0000810400000000, 0.0000000000000000, 0.0022178300000000 ] - [ -0.0001015200000000, -0.0000330100000000, 0.0024415600000000 ] - [ -0.0006285900000000, 0.0008674300000000, 0.0003621800000000 ] - [ 0.0004244600000000, 0.0000000000000000, -0.0001406200000000 ] - [ -0.0006285900000000, -0.0008674300000000, 0.0003621800000000 ] - [ -0.0011499000000000, 0.0023763800000000, -0.0030262600000000 ] - [ 0.0007489500000000, 0.0000000000000000, -0.0006197700000000 ] - [ -0.0011499000000000, -0.0023763800000000, -0.0030262600000000 ] - [ -0.0004830400000000, 0.0000000000000000, 0.0007793200000000 ] - [ -0.0005061400000000, 0.0001070500000000, 0.0006559300000000 ] - [ -0.0005061400000000, -0.0001070500000000, 0.0006559300000000 ] - [ -0.0010598500000000, 0.0000000000000000, 0.0003258800000000 ] - [ -0.0006328200000000, 0.0001006100000000, 0.0004484300000000 ] - [ -0.0006328200000000, -0.0001006100000000, 0.0004484300000000 ] - [ -0.0022529700000000, 0.0000000000000000, -0.0018345400000000 ] - [ -0.0010813100000000, -0.0007806800000000, -0.0020100100000000 ] - [ -0.0010813100000000, 0.0007806800000000, -0.0020100100000000 ] - [ 0.0038411300000000, 0.0049788600000000, -0.0030744100000000 ] - [ -0.0008989300000000, 0.0000000000000000, -0.0004015200000000 ] - [ 0.0038411300000000, -0.0049788600000000, -0.0030744100000000 ] - [ -0.0005331900000000, -0.0000228600000000, -0.0000730900000000 ] - [ -0.0005631000000000, 0.0000000000000000, -0.0003280000000000 ] - [ -0.0005331900000000, 0.0000228600000000, -0.0000730900000000 ] - [ -0.0054422300000000, -0.0057360400000000, 0.0016593400000000 ] - [ -0.0003752700000000, 0.0000000000000000, -0.0006958700000000 ] - [ -0.0054422300000000, 0.0057360400000000, 0.0016593400000000 ] - [ -0.0145137400000000, 0.0000000000000000, 0.0180775800000000 ] - [ -0.0005076100000000, 0.0003813900000000, 0.0001334300000000 ] - [ -0.0005076100000000, -0.0003813900000000, 0.0001334300000000 ] - [ 0.0000683500000000, 0.0001030300000000, 0.0003958700000000 ] - [ -0.0001632200000000, 0.0000000000000000, 0.0001224100000000 ] - [ 0.0000683500000000, -0.0001030300000000, 0.0003958700000000 ] - [ 0.0001803100000000, 0.0000000000000000, 0.0007555800000000 ] - [ 0.0001663300000000, 0.0000045400000000, 0.0002636000000000 ] - [ 0.0001663300000000, -0.0000045400000000, 0.0002636000000000 ] - [ 0.0009012600000000, -0.0000278100000000, -0.0001172300000000 ] - [ 0.0005945800000000, 0.0000000000000000, -0.0000663700000000 ] - [ 0.0009012600000000, 0.0000278100000000, -0.0001172300000000 ] - [ -0.0003679700000000, 0.0000000000000000, 0.0011686900000000 ] - [ -0.0000923800000000, 0.0000165600000000, 0.0006743700000000 ] - [ -0.0000923800000000, -0.0000165600000000, 0.0006743700000000 ] - [ 0.0009684700000000, 0.0026764200000000, -0.0025138400000000 ] - [ -0.0005958800000000, 0.0000000000000000, -0.0002891400000000 ] - [ 0.0009684700000000, -0.0026764200000000, -0.0025138400000000 ] - [ -0.0024658200000000, 0.0000000000000000, -0.0016103700000000 ] - [ 0.0010447400000000, -0.0002116200000000, 0.0003556700000000 ] - [ 0.0010447400000000, 0.0002116200000000, 0.0003556700000000 ] - [ -0.0010824600000000, -0.0012668800000000, 0.0065440200000000 ] - [ 0.0001576400000000, 0.0000000000000000, 0.0011524800000000 ] - [ -0.0010824600000000, 0.0012668800000000, 0.0065440200000000 ] - [ 0.0000920800000000, 0.0000000000000000, -0.0001858400000000 ] - [ -0.0000733600000000, -0.0000474600000000, -0.0001451600000000 ] - [ -0.0000733600000000, 0.0000474600000000, -0.0001451600000000 ] - [ 0.0006364600000000, -0.0010169900000000, -0.0005894000000000 ] - [ 0.0003882000000000, 0.0000000000000000, -0.0004356500000000 ] - [ 0.0006364600000000, 0.0010169900000000, -0.0005894000000000 ] - [ 0.0021550100000000, 0.0000000000000000, -0.0028599100000000 ] - [ -0.0005908400000000, -0.0001892100000000, 0.0006231200000000 ] - [ -0.0005908400000000, 0.0001892100000000, 0.0006231200000000 ] - [ -0.0125060000000000, 0.0000000000000000, 0.0114551700000000 ] - [ -0.0005797900000000, -0.0002222100000000, -0.0012358900000000 ] - [ -0.0005797900000000, 0.0002222100000000, -0.0012358900000000 ] - [ -0.0004404000000000, 0.0004052000000000, -0.0004039300000000 ] - [ -0.0001931200000000, 0.0000000000000000, -0.0005198600000000 ] - [ -0.0004404000000000, -0.0004052000000000, -0.0004039300000000 ] - [ -0.0006327000000000, 0.0004093200000000, 0.0003479400000000 ] - [ 0.0002054000000000, 0.0000000000000000, -0.0000509500000000 ] - [ -0.0006327000000000, -0.0004093200000000, 0.0003479400000000 ] - [ -0.0002240600000000, -0.0000153600000000, 0.0004624600000000 ] - [ -0.0001472300000000, 0.0000000000000000, 0.0005548000000000 ] - [ -0.0002240600000000, 0.0000153600000000, 0.0004624600000000 ] - [ 0.0006339100000000, 0.0000000000000000, -0.0007015800000000 ] - [ 0.0004496500000000, -0.0000756900000000, -0.0004496600000000 ] - [ 0.0004496500000000, 0.0000756900000000, -0.0004496600000000 ] - [ 0.0003479800000000, 0.0000250100000000, -0.0001755000000000 ] - [ 0.0001869000000000, 0.0000000000000000, 0.0000114300000000 ] - [ 0.0003479800000000, -0.0000250100000000, -0.0001755000000000 ] - [ -0.0001791400000000, -0.0002149400000000, 0.0001370000000000 ] - [ -0.0006236900000000, 0.0000000000000000, 0.0000427800000000 ] - [ -0.0001791400000000, 0.0002149400000000, 0.0001370000000000 ] - [ 0.0008353600000000, 0.0000000000000000, -0.0002813100000000 ] - [ 0.0008170100000000, -0.0003278200000000, -0.0001617800000000 ] - [ 0.0008170100000000, 0.0003278200000000, -0.0001617800000000 ] - [ 0.0007129700000000, 0.0000000000000000, 0.0002790500000000 ] - [ 0.0005453700000000, -0.0008667900000000, -0.0001282200000000 ] - [ 0.0005453700000000, 0.0008667900000000, -0.0001282200000000 ] - [ -0.0004749500000000, 0.0001314500000000, -0.0000530500000000 ] - [ -0.0002193500000000, 0.0000000000000000, -0.0001038300000000 ] - [ -0.0004749500000000, -0.0001314500000000, -0.0000530500000000 ] - [ 0.0001649900000000, 0.0000000000000000, -0.0016443000000000 ] - [ 0.0001030900000000, 0.0001538000000000, -0.0009914700000000 ] - [ 0.0001030900000000, -0.0001538000000000, -0.0009914700000000 ] - [ -0.0005317600000000, 0.0000000000000000, -0.0002962700000000 ] - [ -0.0004207700000000, -0.0000001600000000, -0.0000318300000000 ] - [ -0.0004207700000000, 0.0000001600000000, -0.0000318300000000 ] - [ 0.0013052500000000, 0.0000000000000000, -0.0005081500000000 ] - [ 0.0011665200000000, 0.0000481700000000, -0.0003628000000000 ] - [ 0.0011665200000000, -0.0000481700000000, -0.0003628000000000 ] - [ 0.0002720800000000, -0.0000182000000000, 0.0012670200000000 ] - [ 0.0004338000000000, 0.0000000000000000, 0.0013643000000000 ] - [ 0.0002720800000000, 0.0000182000000000, 0.0012670200000000 ] - [ 0.0006133200000000, 0.0000803800000000, -0.0005658300000000 ] - [ 0.0006704600000000, 0.0000000000000000, -0.0006500000000000 ] - [ 0.0006133200000000, -0.0000803800000000, -0.0005658300000000 ] - [ -0.0003549400000000, 0.0000000000000000, 0.0013207600000000 ] - [ -0.0005165900000000, -0.0009199500000000, 0.0010089700000000 ] - [ -0.0005165900000000, 0.0009199500000000, 0.0010089700000000 ] - [ 0.0025288000000000, 0.0005221600000000, 0.0000115900000000 ] - [ 0.0004588800000000, 0.0000000000000000, 0.0000714300000000 ] - [ 0.0025288000000000, -0.0005221600000000, 0.0000115900000000 ] - [ -0.0005367300000000, 0.0000000000000000, -0.0018536800000000 ] - [ -0.0000269700000000, -0.0000607600000000, -0.0009794600000000 ] - [ -0.0000269700000000, 0.0000607600000000, -0.0009794600000000 ] - [ -0.0017075400000000, -0.0003987800000000, 0.0000613900000000 ] - [ -0.0014027500000000, 0.0000000000000000, -0.0000049100000000 ] - [ -0.0017075400000000, 0.0003987800000000, 0.0000613900000000 ] - [ 0.0007363600000000, 0.0000000000000000, 0.0000139200000000 ] - [ 0.0007460400000000, 0.0000114900000000, 0.0003234800000000 ] - [ 0.0007460400000000, -0.0000114900000000, 0.0003234800000000 ]- atom: 1 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0310304500000000, 0.0000000000000000, 0.0378026400000000 ] - [ -0.0005885600000000, 0.0004388200000000, 0.0007547800000000 ] - [ -0.0005885600000000, -0.0004388200000000, 0.0007547800000000 ] - [ -0.0008544700000000, 0.0005441000000000, -0.0005794000000000 ] - [ -0.0002723300000000, 0.0000000000000000, 0.0002590500000000 ] - [ -0.0008544700000000, -0.0005441000000000, -0.0005794000000000 ] - [ 0.0000188200000000, 0.0000000000000000, -0.0003730400000000 ] - [ 0.0000892200000000, 0.0000127800000000, -0.0003267200000000 ] - [ 0.0000892200000000, -0.0000127800000000, -0.0003267200000000 ] - [ 0.0001548200000000, -0.0001071000000000, -0.0002776500000000 ] - [ 0.0002046000000000, 0.0000000000000000, -0.0002382100000000 ] - [ 0.0001548200000000, 0.0001071000000000, -0.0002776500000000 ] - [ 0.0019291800000000, 0.0000000000000000, -0.0029013900000000 ] - [ 0.0007137100000000, 0.0013079600000000, -0.0008682000000000 ] - [ 0.0007137100000000, -0.0013079600000000, -0.0008682000000000 ] - [ -0.0000022300000000, 0.0000000000000000, -0.0045024500000000 ] - [ 0.0002519500000000, -0.0005674800000000, -0.0004404200000000 ] - [ 0.0002519500000000, 0.0005674800000000, -0.0004404200000000 ] - [ 0.0002149100000000, -0.0000332100000000, -0.0006008100000000 ] - [ 0.0000311800000000, 0.0000000000000000, -0.0003782800000000 ] - [ 0.0002149100000000, 0.0000332100000000, -0.0006008100000000 ] - [ 0.0016512800000000, -0.0008666100000000, -0.0012397900000000 ] - [ 0.0006011200000000, 0.0000000000000000, -0.0007366900000000 ] - [ 0.0016512800000000, 0.0008666100000000, -0.0012397900000000 ] - [ 0.0021821800000000, -0.0023891400000000, 0.0031363800000000 ] - [ 0.0002660300000000, 0.0000000000000000, 0.0007316400000000 ] - [ 0.0021821800000000, 0.0023891400000000, 0.0031363800000000 ] - [ -0.0005295700000000, 0.0000000000000000, -0.0008937000000000 ] - [ -0.0005066000000000, -0.0001073500000000, -0.0007684100000000 ] - [ -0.0005066000000000, 0.0001073500000000, -0.0007684100000000 ] - [ 0.0000327300000000, 0.0000000000000000, 0.0005437800000000 ] - [ -0.0003918400000000, -0.0001029900000000, 0.0004250200000000 ] - [ -0.0003918400000000, 0.0001029900000000, 0.0004250200000000 ] - [ 0.0021428800000000, 0.0000000000000000, -0.0000032600000000 ] - [ 0.0009694300000000, 0.0007796200000000, 0.0001674800000000 ] - [ 0.0009694300000000, -0.0007796200000000, 0.0001674800000000 ] - [ -0.0048632100000000, -0.0049784300000000, 0.0032515300000000 ] - [ -0.0001230100000000, 0.0000000000000000, 0.0006331300000000 ] - [ -0.0048632100000000, 0.0049784300000000, 0.0032515300000000 ] - [ 0.0003449600000000, 0.0000220600000000, -0.0007973200000000 ] - [ 0.0003759800000000, 0.0000000000000000, -0.0005423000000000 ] - [ 0.0003449600000000, -0.0000220600000000, -0.0007973200000000 ] - [ 0.0053496300000000, 0.0058064600000000, -0.0018736600000000 ] - [ 0.0002554100000000, 0.0000000000000000, 0.0004108000000000 ] - [ 0.0053496300000000, -0.0058064600000000, -0.0018736600000000 ] - [ 0.0132712800000000, 0.0000000000000000, -0.0172170800000000 ] - [ -0.0004750300000000, -0.0003797600000000, 0.0003944100000000 ] - [ -0.0004750300000000, 0.0003797600000000, 0.0003944100000000 ] - [ 0.0001555200000000, -0.0001028200000000, 0.0002100600000000 ] - [ 0.0003881800000000, 0.0000000000000000, 0.0004846300000000 ] - [ 0.0001555200000000, 0.0001028200000000, 0.0002100600000000 ] - [ -0.0004053900000000, 0.0000000000000000, -0.0013673400000000 ] - [ -0.0003910900000000, -0.0000045900000000, -0.0008706600000000 ] - [ -0.0003910900000000, 0.0000045900000000, -0.0008706600000000 ] - [ 0.0000831600000000, 0.0000277700000000, -0.0004187500000000 ] - [ 0.0003899000000000, 0.0000000000000000, -0.0004683700000000 ] - [ 0.0000831600000000, -0.0000277700000000, -0.0004187500000000 ] - [ 0.0004925600000000, 0.0000000000000000, -0.0008780000000000 ] - [ 0.0002165900000000, -0.0000165300000000, -0.0003819500000000 ] - [ 0.0002165900000000, 0.0000165300000000, -0.0003819500000000 ] - [ -0.0025062800000000, -0.0027176700000000, 0.0011523100000000 ] - [ -0.0009180200000000, 0.0000000000000000, -0.0010766400000000 ] - [ -0.0025062800000000, 0.0027176700000000, 0.0011523100000000 ] - [ 0.0049825300000000, 0.0000000000000000, 0.0020758900000000 ] - [ 0.0014755500000000, 0.0002121400000000, -0.0003965900000000 ] - [ 0.0014755500000000, -0.0002121400000000, -0.0003965900000000 ] - [ 0.0012967300000000, 0.0013004600000000, -0.0055273500000000 ] - [ 0.0000341700000000, 0.0000000000000000, -0.0001589100000000 ] - [ 0.0012967300000000, -0.0013004600000000, -0.0055273500000000 ] - [ -0.0005811300000000, 0.0000000000000000, 0.0005649000000000 ] - [ -0.0004153900000000, 0.0000476100000000, 0.0005245700000000 ] - [ -0.0004153900000000, -0.0000476100000000, 0.0005245700000000 ] - [ -0.0002018600000000, 0.0010174400000000, 0.0005686800000000 ] - [ 0.0000470400000000, 0.0000000000000000, 0.0004152700000000 ] - [ -0.0002018600000000, -0.0010174400000000, 0.0005686800000000 ] - [ -0.0032017100000000, 0.0000000000000000, 0.0040331000000000 ] - [ -0.0004627500000000, 0.0001887100000000, 0.0005530000000000 ] - [ -0.0004627500000000, -0.0001887100000000, 0.0005530000000000 ] - [ 0.0108510400000000, 0.0000000000000000, -0.0143335700000000 ] - [ -0.0005123400000000, 0.0002242500000000, -0.0018734300000000 ] - [ -0.0005123400000000, -0.0002242500000000, -0.0018734300000000 ] - [ -0.0011954800000000, -0.0004078900000000, 0.0016284900000000 ] - [ -0.0014454300000000, 0.0000000000000000, 0.0017471500000000 ] - [ -0.0011954800000000, 0.0004078900000000, 0.0016284900000000 ] - [ 0.0009894700000000, -0.0004097100000000, -0.0013593200000000 ] - [ 0.0001495400000000, 0.0000000000000000, -0.0009605200000000 ] - [ 0.0009894700000000, 0.0004097100000000, -0.0013593200000000 ] - [ -0.0003602400000000, 0.0000160900000000, 0.0005152800000000 ] - [ -0.0004377700000000, 0.0000000000000000, 0.0004209500000000 ] - [ -0.0003602400000000, -0.0000160900000000, 0.0005152800000000 ] - [ 0.0004274400000000, 0.0000000000000000, 0.0009731400000000 ] - [ 0.0006130100000000, 0.0000761400000000, 0.0007199800000000 ] - [ 0.0006130100000000, -0.0000761400000000, 0.0007199800000000 ] - [ 0.0003331600000000, -0.0000247000000000, 0.0009412300000000 ] - [ 0.0004944000000000, 0.0000000000000000, 0.0007539600000000 ] - [ 0.0003331600000000, 0.0000247000000000, 0.0009412300000000 ] - [ -0.0007269500000000, 0.0002183600000000, -0.0001148400000000 ] - [ -0.0002803500000000, 0.0000000000000000, -0.0000228200000000 ] - [ -0.0007269500000000, -0.0002183600000000, -0.0001148400000000 ] - [ 0.0000715900000000, 0.0000000000000000, 0.0002668300000000 ] - [ 0.0000896400000000, 0.0003276500000000, 0.0001446000000000 ] - [ 0.0000896400000000, -0.0003276500000000, 0.0001446000000000 ] - [ -0.0013937500000000, 0.0000000000000000, -0.0010452600000000 ] - [ -0.0012257700000000, 0.0008673600000000, -0.0006375200000000 ] - [ -0.0012257700000000, -0.0008673600000000, -0.0006375200000000 ] - [ -0.0005855500000000, -0.0001305700000000, -0.0002161900000000 ] - [ -0.0008414600000000, 0.0000000000000000, -0.0001652100000000 ] - [ -0.0005855500000000, 0.0001305700000000, -0.0002161900000000 ] - [ 0.0004210000000000, 0.0000000000000000, 0.0006729400000000 ] - [ 0.0004836900000000, -0.0001545800000000, 0.0000132300000000 ] - [ 0.0004836900000000, 0.0001545800000000, 0.0000132300000000 ] - [ 0.0001812000000000, 0.0000000000000000, 0.0013091900000000 ] - [ 0.0000665000000000, 0.0000001800000000, 0.0010430100000000 ] - [ 0.0000665000000000, -0.0000001800000000, 0.0010430100000000 ] - [ 0.0003255100000000, 0.0000000000000000, -0.0007170500000000 ] - [ 0.0004650800000000, -0.0000473300000000, -0.0008605800000000 ] - [ 0.0004650800000000, 0.0000473300000000, -0.0008605800000000 ] - [ 0.0008199500000000, 0.0000183200000000, 0.0018461200000000 ] - [ 0.0006574500000000, 0.0000000000000000, 0.0017482800000000 ] - [ 0.0008199500000000, -0.0000183200000000, 0.0018461200000000 ] - [ 0.0004427800000000, -0.0000791400000000, -0.0006060000000000 ] - [ 0.0003831100000000, 0.0000000000000000, -0.0005221800000000 ] - [ 0.0004427800000000, 0.0000791400000000, -0.0006060000000000 ] - [ -0.0000658500000000, 0.0000000000000000, -0.0012930100000000 ] - [ 0.0000835500000000, 0.0009168400000000, -0.0009844400000000 ] - [ 0.0000835500000000, -0.0009168400000000, -0.0009844400000000 ] - [ -0.0020296100000000, -0.0005298000000000, -0.0004053400000000 ] - [ 0.0000288300000000, 0.0000000000000000, -0.0004513000000000 ] - [ -0.0020296100000000, 0.0005298000000000, -0.0004053400000000 ] - [ 0.0003476500000000, 0.0000000000000000, 0.0008615100000000 ] - [ -0.0001626800000000, 0.0000611300000000, -0.0000159800000000 ] - [ -0.0001626800000000, -0.0000611300000000, -0.0000159800000000 ] - [ -0.0008148200000000, 0.0003983400000000, -0.0000133200000000 ] - [ -0.0011184500000000, 0.0000000000000000, 0.0000501300000000 ] - [ -0.0008148200000000, -0.0003983400000000, -0.0000133200000000 ] - [ 0.0007772800000000, 0.0000000000000000, 0.0013460000000000 ] - [ 0.0007677200000000, -0.0000113100000000, 0.0010353200000000 ] - [ 0.0007677200000000, 0.0000113100000000, 0.0010353200000000 ]- atom: 4 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0006513600000000, -0.0004946700000000, 0.0007879700000000 ] - [ -0.0006513600000000, 0.0004946700000000, 0.0007879700000000 ] - [ -0.0003473800000000, 0.0000000000000000, 0.0002554800000000 ] - [ -0.0432702300000000, 0.0000000000000000, 0.0135648700000000 ] - [ -0.0007884700000000, 0.0000285000000000, 0.0005380000000000 ] - [ -0.0007884700000000, -0.0000285000000000, 0.0005380000000000 ] - [ 0.0003376400000000, 0.0014023700000000, 0.0011082300000000 ] - [ 0.0003376400000000, -0.0014023700000000, 0.0011082300000000 ] - [ -0.0000021100000000, 0.0000000000000000, -0.0000736200000000 ] - [ 0.0002056300000000, 0.0000000000000000, -0.0000246600000000 ] - [ 0.0002009300000000, -0.0000392200000000, -0.0000987300000000 ] - [ 0.0002009300000000, 0.0000392200000000, -0.0000987300000000 ] - [ 0.0075326500000000, -0.0074756700000000, -0.0040541200000000 ] - [ 0.0075326500000000, 0.0074756700000000, -0.0040541200000000 ] - [ 0.0001195800000000, 0.0000000000000000, 0.0006869100000000 ] - [ 0.0004909400000000, 0.0000298200000000, -0.0001478200000000 ] - [ 0.0004909400000000, -0.0000298200000000, -0.0001478200000000 ] - [ 0.0005100000000000, 0.0000000000000000, -0.0002681600000000 ] - [ 0.0004983800000000, 0.0000000000000000, -0.0002668100000000 ] - [ 0.0001738400000000, 0.0000456400000000, -0.0000662400000000 ] - [ 0.0001738400000000, -0.0000456400000000, -0.0000662400000000 ] - [ 0.0002577400000000, 0.0000000000000000, -0.0012174900000000 ] - [ 0.0004285700000000, -0.0000995100000000, -0.0008283800000000 ] - [ 0.0004285700000000, 0.0000995100000000, -0.0008283800000000 ] - [ 0.0017140600000000, 0.0000000000000000, -0.0077890600000000 ] - [ 0.0004144800000000, -0.0007560700000000, -0.0005567200000000 ] - [ 0.0004144800000000, 0.0007560700000000, -0.0005567200000000 ] - [ -0.0005945400000000, -0.0000027700000000, -0.0004166300000000 ] - [ -0.0005945400000000, 0.0000027700000000, -0.0004166300000000 ] - [ -0.0005663200000000, 0.0000000000000000, -0.0003471100000000 ] - [ 0.0001480100000000, 0.0003526700000000, -0.0001031500000000 ] - [ 0.0001480100000000, -0.0003526700000000, -0.0001031500000000 ] - [ -0.0002886200000000, 0.0000000000000000, 0.0002292100000000 ] - [ 0.0027799100000000, 0.0001133900000000, -0.0012513100000000 ] - [ 0.0027799100000000, -0.0001133900000000, -0.0012513100000000 ] - [ 0.0005713900000000, 0.0000000000000000, -0.0007915500000000 ] - [ 0.0005201600000000, 0.0000000000000000, 0.0016710500000000 ] - [ -0.0003479500000000, 0.0001080700000000, 0.0003887700000000 ] - [ -0.0003479500000000, -0.0001080700000000, 0.0003887700000000 ] - [ 0.0061805900000000, 0.0000000000000000, 0.0002181700000000 ] - [ 0.0011765000000000, -0.0004387500000000, -0.0002056200000000 ] - [ 0.0011765000000000, 0.0004387500000000, -0.0002056200000000 ] - [ 0.0053008600000000, 0.0000000000000000, 0.0060363900000000 ] - [ 0.0007907800000000, 0.0002335700000000, 0.0005750200000000 ] - [ 0.0007907800000000, -0.0002335700000000, 0.0005750200000000 ] - [ -0.0010972700000000, -0.0001124400000000, -0.0003728900000000 ] - [ -0.0010972700000000, 0.0001124400000000, -0.0003728900000000 ] - [ -0.0007305100000000, 0.0000000000000000, -0.0000228500000000 ] - [ 0.0139351200000000, 0.0000000000000000, -0.0011660900000000 ] - [ 0.0008476900000000, -0.0004771600000000, 0.0004612500000000 ] - [ 0.0008476900000000, 0.0004771600000000, 0.0004612500000000 ] - [ -0.0011498600000000, 0.0002159800000000, -0.0024478400000000 ] - [ -0.0011498600000000, -0.0002159800000000, -0.0024478400000000 ] - [ -0.0004165800000000, 0.0000000000000000, -0.0004787300000000 ] - [ 0.0005960000000000, 0.0000000000000000, -0.0003801900000000 ] - [ 0.0005626400000000, 0.0000194400000000, -0.0004597900000000 ] - [ 0.0005626400000000, -0.0000194400000000, -0.0004597900000000 ] - [ 0.0007237800000000, -0.0000098500000000, 0.0006069700000000 ] - [ 0.0007237800000000, 0.0000098500000000, 0.0006069700000000 ] - [ 0.0005772100000000, 0.0000000000000000, 0.0002090300000000 ] - [ 0.0014757900000000, 0.0000000000000000, 0.0008394300000000 ] - [ -0.0010768200000000, -0.0006091500000000, -0.0013207800000000 ] - [ -0.0010768200000000, 0.0006091500000000, -0.0013207800000000 ] - [ 0.0017027600000000, 0.0001718800000000, -0.0000741300000000 ] - [ 0.0017027600000000, -0.0001718800000000, -0.0000741300000000 ] - [ 0.0014685600000000, 0.0000000000000000, 0.0000118500000000 ] - [ -0.0001961000000000, 0.0000000000000000, -0.0037960400000000 ] - [ 0.0000255900000000, -0.0001496300000000, 0.0000598600000000 ] - [ 0.0000255900000000, 0.0001496300000000, 0.0000598600000000 ] - [ -0.0008541900000000, 0.0000175600000000, 0.0002318400000000 ] - [ -0.0008541900000000, -0.0000175600000000, 0.0002318400000000 ] - [ -0.0006938700000000, 0.0000000000000000, 0.0004066400000000 ] - [ 0.0002591800000000, 0.0000000000000000, 0.0002654400000000 ] - [ 0.0001747900000000, 0.0000321900000000, 0.0002469500000000 ] - [ 0.0001747900000000, -0.0000321900000000, 0.0002469500000000 ] - [ -0.0004553400000000, -0.0000307300000000, 0.0008291100000000 ] - [ -0.0004553400000000, 0.0000307300000000, 0.0008291100000000 ] - [ -0.0004751000000000, 0.0000000000000000, 0.0007195100000000 ] - [ 0.0003091000000000, -0.0006827500000000, -0.0010730100000000 ] - [ 0.0003091000000000, 0.0006827500000000, -0.0010730100000000 ] - [ -0.0002557700000000, 0.0000000000000000, -0.0012878000000000 ] - [ -0.0036120300000000, 0.0000000000000000, 0.0015312400000000 ] - [ -0.0018727500000000, -0.0015995400000000, 0.0016975800000000 ] - [ -0.0018727500000000, 0.0015995400000000, 0.0016975800000000 ] - [ 0.0152559000000000, 0.0000000000000000, -0.0061323200000000 ] - [ 0.0000143600000000, 0.0006478200000000, -0.0004699400000000 ] - [ 0.0000143600000000, -0.0006478200000000, -0.0004699400000000 ] - [ -0.0081479400000000, 0.0000000000000000, -0.0021410800000000 ] - [ -0.0007361300000000, 0.0005039700000000, 0.0003223700000000 ] - [ -0.0007361300000000, -0.0005039700000000, 0.0003223700000000 ] - [ 0.0006136300000000, 0.0001234000000000, 0.0008303900000000 ] - [ 0.0006136300000000, -0.0001234000000000, 0.0008303900000000 ] - [ 0.0007340700000000, 0.0000000000000000, 0.0003002200000000 ] - [ 0.0003993700000000, 0.0000000000000000, 0.0007520900000000 ] - [ 0.0004608800000000, -0.0000075100000000, 0.0006594400000000 ] - [ 0.0004608800000000, 0.0000075100000000, 0.0006594400000000 ] - [ -0.0016401600000000, 0.0000000000000000, 0.0020070100000000 ] - [ -0.0004724000000000, 0.0000966500000000, 0.0003840300000000 ] - [ -0.0004724000000000, -0.0000966500000000, 0.0003840300000000 ] - [ 0.0004732200000000, -0.0001244000000000, 0.0003492900000000 ] - [ 0.0004732200000000, 0.0001244000000000, 0.0003492900000000 ] - [ 0.0004176100000000, 0.0000000000000000, 0.0001925800000000 ] - [ -0.0012597800000000, -0.0009010000000000, 0.0000648000000000 ] - [ -0.0012597800000000, 0.0009010000000000, 0.0000648000000000 ] - [ -0.0006716900000000, 0.0000000000000000, -0.0003182100000000 ] - [ -0.0059908000000000, 0.0000000000000000, 0.0014441000000000 ] - [ -0.0011817400000000, -0.0000518400000000, -0.0000319000000000 ] - [ -0.0011817400000000, 0.0000518400000000, -0.0000319000000000 ] - [ 0.0037921300000000, 0.0012032700000000, 0.0009159000000000 ] - [ 0.0037921300000000, -0.0012032700000000, 0.0009159000000000 ] - [ 0.0004874100000000, 0.0000000000000000, -0.0004266600000000 ] - [ 0.0011204600000000, -0.0005626900000000, 0.0012570700000000 ] - [ 0.0011204600000000, 0.0005626900000000, 0.0012570700000000 ] - [ 0.0000804200000000, 0.0000000000000000, 0.0006824100000000 ] - [ -0.0003952400000000, -0.0006892700000000, -0.0005861300000000 ] - [ -0.0003952400000000, 0.0006892700000000, -0.0005861300000000 ] - [ 0.0004015700000000, 0.0000000000000000, -0.0007711500000000 ] - [ 0.0005807500000000, 0.0000000000000000, 0.0015756500000000 ] - [ 0.0006105400000000, 0.0000030600000000, 0.0016643800000000 ] - [ 0.0006105400000000, -0.0000030600000000, 0.0016643800000000 ] - [ -0.0000685900000000, 0.0000000000000000, -0.0006037700000000 ] - [ 0.0002976300000000, 0.0000894300000000, -0.0004532900000000 ] - [ 0.0002976300000000, -0.0000894300000000, -0.0004532900000000 ] - [ -0.0006335000000000, 0.0002823600000000, -0.0000446600000000 ] - [ -0.0006335000000000, -0.0002823600000000, -0.0000446600000000 ] - [ -0.0003559100000000, 0.0000000000000000, -0.0000127700000000 ] - [ -0.0053250900000000, 0.0000000000000000, -0.0015060500000000 ] - [ -0.0005971500000000, 0.0001761900000000, -0.0003020100000000 ] - [ -0.0005971500000000, -0.0001761900000000, -0.0003020100000000 ] - [ -0.0002060500000000, 0.0000003900000000, -0.0006473400000000 ] - [ -0.0002060500000000, -0.0000003900000000, -0.0006473400000000 ] - [ -0.0002237500000000, 0.0000000000000000, -0.0004113200000000 ] - [ -0.0013331000000000, 0.0000000000000000, -0.0001405700000000 ] - [ -0.0013342000000000, 0.0000083800000000, 0.0000363600000000 ] - [ -0.0013342000000000, -0.0000083800000000, 0.0000363600000000 ] - [ 0.0002552500000000, -0.0004610600000000, 0.0001376300000000 ] - [ 0.0002552500000000, 0.0004610600000000, 0.0001376300000000 ] - [ 0.0005563800000000, 0.0000000000000000, 0.0004932100000000 ]- atom: 4 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0002450100000000, 0.0004936500000000, -0.0005357500000000 ] - [ 0.0002450100000000, -0.0004936500000000, -0.0005357500000000 ] - [ -0.0000564000000000, 0.0000000000000000, -0.0000042100000000 ] - [ 0.0431109700000000, 0.0000000000000000, -0.0141451700000000 ] - [ 0.0005650300000000, -0.0000387500000000, -0.0000810500000000 ] - [ 0.0005650300000000, 0.0000387500000000, -0.0000810500000000 ] - [ -0.0001066500000000, -0.0014137200000000, -0.0015810800000000 ] - [ -0.0001066500000000, 0.0014137200000000, -0.0015810800000000 ] - [ 0.0002299800000000, 0.0000000000000000, -0.0003909600000000 ] - [ 0.0002009900000000, 0.0000000000000000, -0.0002255800000000 ] - [ 0.0002044300000000, 0.0000394200000000, -0.0001536500000000 ] - [ 0.0002044300000000, -0.0000394200000000, -0.0001536500000000 ] - [ -0.0073206000000000, 0.0073928300000000, 0.0048901900000000 ] - [ -0.0073206000000000, -0.0073928300000000, 0.0048901900000000 ] - [ 0.0000620800000000, 0.0000000000000000, 0.0001863700000000 ] - [ 0.0005283900000000, -0.0000297300000000, -0.0000878500000000 ] - [ 0.0005283900000000, 0.0000297300000000, -0.0000878500000000 ] - [ 0.0005102800000000, 0.0000000000000000, 0.0000330300000000 ] - [ -0.0003988900000000, 0.0000000000000000, 0.0021046300000000 ] - [ -0.0000682800000000, -0.0000487400000000, 0.0019104600000000 ] - [ -0.0000682800000000, 0.0000487400000000, 0.0019104600000000 ] - [ 0.0007678900000000, 0.0000000000000000, 0.0003437300000000 ] - [ 0.0005969700000000, 0.0000990800000000, -0.0000463900000000 ] - [ 0.0005969700000000, -0.0000990800000000, -0.0000463900000000 ] - [ -0.0006935000000000, 0.0000000000000000, 0.0078902700000000 ] - [ 0.0006035000000000, 0.0007551500000000, 0.0006641700000000 ] - [ 0.0006035000000000, -0.0007551500000000, 0.0006641700000000 ] - [ -0.0004202700000000, 0.0000034700000000, 0.0003168200000000 ] - [ -0.0004202700000000, -0.0000034700000000, 0.0003168200000000 ] - [ -0.0004482400000000, 0.0000000000000000, 0.0002414700000000 ] - [ -0.0011710100000000, -0.0003527700000000, 0.0009800700000000 ] - [ -0.0011710100000000, 0.0003527700000000, 0.0009800700000000 ] - [ -0.0007357000000000, 0.0000000000000000, 0.0006469100000000 ] - [ -0.0028912400000000, -0.0001189000000000, -0.0005884800000000 ] - [ -0.0028912400000000, 0.0001189000000000, -0.0005884800000000 ] - [ -0.0006815900000000, 0.0000000000000000, -0.0010525400000000 ] - [ -0.0015358900000000, 0.0000000000000000, -0.0014305700000000 ] - [ -0.0006719000000000, -0.0001066900000000, -0.0001530200000000 ] - [ -0.0006719000000000, 0.0001066900000000, -0.0001530200000000 ] - [ -0.0064121000000000, 0.0000000000000000, -0.0010906500000000 ] - [ -0.0013664400000000, 0.0004429900000000, -0.0006675600000000 ] - [ -0.0013664400000000, -0.0004429900000000, -0.0006675600000000 ] - [ -0.0053751600000000, 0.0000000000000000, -0.0063278200000000 ] - [ -0.0009187700000000, -0.0002333500000000, -0.0008676100000000 ] - [ -0.0009187700000000, 0.0002333500000000, -0.0008676100000000 ] - [ 0.0001125900000000, 0.0001120900000000, 0.0009013200000000 ] - [ 0.0001125900000000, -0.0001120900000000, 0.0009013200000000 ] - [ -0.0002524100000000, 0.0000000000000000, 0.0005528000000000 ] - [ -0.0138429800000000, 0.0000000000000000, 0.0018856600000000 ] - [ -0.0006167100000000, 0.0004795700000000, 0.0001442200000000 ] - [ -0.0006167100000000, -0.0004795700000000, 0.0001442200000000 ] - [ 0.0009226600000000, -0.0002107900000000, 0.0018923600000000 ] - [ 0.0009226600000000, 0.0002107900000000, 0.0018923600000000 ] - [ 0.0001898600000000, 0.0000000000000000, -0.0001198700000000 ] - [ 0.0003887100000000, 0.0000000000000000, -0.0001473300000000 ] - [ 0.0004216400000000, -0.0000193200000000, -0.0000690800000000 ] - [ 0.0004216400000000, 0.0000193200000000, -0.0000690800000000 ] - [ -0.0006003100000000, 0.0000098000000000, -0.0003200000000000 ] - [ -0.0006003100000000, -0.0000098000000000, -0.0003200000000000 ] - [ -0.0004514400000000, 0.0000000000000000, 0.0000816000000000 ] - [ -0.0023589100000000, 0.0000000000000000, -0.0018419600000000 ] - [ -0.0004198700000000, 0.0006088400000000, -0.0000336100000000 ] - [ -0.0004198700000000, -0.0006088400000000, -0.0000336100000000 ] - [ 0.0008268000000000, -0.0001710000000000, 0.0000359000000000 ] - [ 0.0008268000000000, 0.0001710000000000, 0.0000359000000000 ] - [ 0.0010602500000000, 0.0000000000000000, -0.0000498500000000 ] - [ 0.0003961400000000, 0.0000000000000000, 0.0047587600000000 ] - [ 0.0001753500000000, 0.0001499000000000, 0.0009292700000000 ] - [ 0.0001753500000000, -0.0001499000000000, 0.0009292700000000 ] - [ 0.0003703400000000, -0.0000180800000000, 0.0001483100000000 ] - [ 0.0003703400000000, 0.0000180800000000, 0.0001483100000000 ] - [ 0.0002085800000000, 0.0000000000000000, -0.0000267800000000 ] - [ 0.0001755900000000, 0.0000000000000000, -0.0002872000000000 ] - [ 0.0002601400000000, -0.0000324400000000, -0.0002689000000000 ] - [ 0.0002601400000000, 0.0000324400000000, -0.0002689000000000 ] - [ -0.0006016100000000, 0.0000306200000000, 0.0003578400000000 ] - [ -0.0006016100000000, -0.0000306200000000, 0.0003578400000000 ] - [ -0.0005823800000000, 0.0000000000000000, 0.0004664200000000 ] - [ -0.0014084600000000, 0.0006805400000000, -0.0020415300000000 ] - [ -0.0014084600000000, -0.0006805400000000, -0.0020415300000000 ] - [ -0.0008444300000000, 0.0000000000000000, -0.0018284000000000 ] - [ 0.0019884800000000, 0.0000000000000000, -0.0003042200000000 ] - [ 0.0002394900000000, 0.0015906900000000, -0.0004708400000000 ] - [ 0.0002394900000000, -0.0015906900000000, -0.0004708400000000 ] - [ -0.0157724300000000, 0.0000000000000000, 0.0058316300000000 ] - [ 0.0003246700000000, -0.0006474700000000, -0.0005380300000000 ] - [ 0.0003246700000000, 0.0006474700000000, -0.0005380300000000 ] - [ 0.0076384900000000, 0.0000000000000000, 0.0031478300000000 ] - [ 0.0001395500000000, -0.0005067200000000, 0.0006718600000000 ] - [ 0.0001395500000000, 0.0005067200000000, 0.0006718600000000 ] - [ 0.0004706700000000, -0.0001185800000000, -0.0005761900000000 ] - [ 0.0004706700000000, 0.0001185800000000, -0.0005761900000000 ] - [ 0.0003314400000000, 0.0000000000000000, -0.0000319600000000 ] - [ 0.0002866300000000, 0.0000000000000000, 0.0000105800000000 ] - [ 0.0002247300000000, 0.0000082900000000, 0.0001044700000000 ] - [ 0.0002247300000000, -0.0000082900000000, 0.0001044700000000 ] - [ 0.0007339400000000, 0.0000000000000000, -0.0019881000000000 ] - [ -0.0004328200000000, -0.0000966000000000, -0.0003637200000000 ] - [ -0.0004328200000000, 0.0000966000000000, -0.0003637200000000 ] - [ 0.0004339200000000, 0.0001241200000000, -0.0003728300000000 ] - [ 0.0004339200000000, -0.0001241200000000, -0.0003728300000000 ] - [ 0.0004887400000000, 0.0000000000000000, -0.0002146300000000 ] - [ 0.0005743700000000, 0.0009003200000000, -0.0008309800000000 ] - [ 0.0005743700000000, -0.0009003200000000, -0.0008309800000000 ] - [ -0.0000124800000000, 0.0000000000000000, -0.0004476200000000 ] - [ 0.0049274000000000, 0.0000000000000000, -0.0017415200000000 ] - [ 0.0001171500000000, 0.0000505400000000, -0.0002370900000000 ] - [ 0.0001171500000000, -0.0000505400000000, -0.0002370900000000 ] - [ -0.0031717800000000, -0.0012306800000000, -0.0019283500000000 ] - [ -0.0031717800000000, 0.0012306800000000, -0.0019283500000000 ] - [ 0.0001109400000000, 0.0000000000000000, -0.0005710500000000 ] - [ -0.0014746300000000, 0.0005620400000000, -0.0002639000000000 ] - [ -0.0014746300000000, -0.0005620400000000, -0.0002639000000000 ] - [ -0.0004249400000000, 0.0000000000000000, 0.0003241000000000 ] - [ 0.0020344700000000, 0.0006944300000000, -0.0006386900000000 ] - [ 0.0020344700000000, -0.0006944300000000, -0.0006386900000000 ] - [ 0.0012343500000000, 0.0000000000000000, -0.0004511800000000 ] - [ 0.0005188100000000, 0.0000000000000000, 0.0015374200000000 ] - [ 0.0004901700000000, -0.0000027200000000, 0.0014505200000000 ] - [ 0.0004901700000000, 0.0000027200000000, 0.0014505200000000 ] - [ 0.0011266600000000, 0.0000000000000000, -0.0005846500000000 ] - [ 0.0007616100000000, -0.0000894800000000, -0.0007341800000000 ] - [ 0.0007616100000000, 0.0000894800000000, -0.0007341800000000 ] - [ 0.0002004700000000, -0.0002816700000000, 0.0000638600000000 ] - [ 0.0002004700000000, 0.0002816700000000, 0.0000638600000000 ] - [ -0.0000772000000000, 0.0000000000000000, 0.0000333700000000 ] - [ 0.0058158100000000, 0.0000000000000000, 0.0011325100000000 ] - [ 0.0010907200000000, -0.0001781000000000, -0.0000769700000000 ] - [ 0.0010907200000000, 0.0001781000000000, -0.0000769700000000 ] - [ 0.0000072700000000, -0.0000002100000000, -0.0003396400000000 ] - [ 0.0000072700000000, 0.0000002100000000, -0.0003396400000000 ] - [ 0.0000250500000000, 0.0000000000000000, -0.0005774300000000 ] - [ -0.0011944900000000, 0.0000000000000000, 0.0001767100000000 ] - [ -0.0011929400000000, -0.0000084300000000, 0.0000004400000000 ] - [ -0.0011929400000000, 0.0000084300000000, 0.0000004400000000 ] - [ 0.0012506100000000, 0.0004645400000000, 0.0012215800000000 ] - [ 0.0012506100000000, -0.0004645400000000, 0.0012215800000000 ] - [ 0.0009466500000000, 0.0000000000000000, 0.0008620700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005522500000000, -0.0000423200000000, -0.0005133900000000 ] - [ 0.0001451100000000, -0.0000465900000000, 0.0007595100000000 ] - [ -0.0002092300000000, 0.0002568400000000, 0.0001143900000000 ] - [ -0.0002413800000000, -0.0148322800000000, 0.0004738400000000 ] - [ -0.0001489700000000, 0.0029429200000000, 0.0004689600000000 ] - [ -0.0000752400000000, 0.0029145600000000, -0.0000096500000000 ] - [ 0.0015092300000000, -0.0000002900000000, 0.0005028400000000 ] - [ -0.0012878700000000, -0.0000062000000000, -0.0009694700000000 ] - [ 0.0001131000000000, 0.0004672400000000, -0.0002341900000000 ] - [ 0.0002046800000000, -0.0000847000000000, -0.0001211600000000 ] - [ 0.0001525400000000, 0.0000391900000000, -0.0001540300000000 ] - [ 0.0002519800000000, 0.0000393900000000, -0.0000973600000000 ] - [ -0.0103302800000000, 0.0002656800000000, 0.0016211400000000 ] - [ 0.0105656300000000, 0.0002378800000000, -0.0007501800000000 ] - [ 0.0000980600000000, 0.0024450200000000, 0.0004337400000000 ] - [ 0.0004963900000000, -0.0001453800000000, -0.0001447800000000 ] - [ 0.0005236300000000, -0.0001470300000000, -0.0000913200000000 ] - [ 0.0005100200000000, 0.0002924000000000, -0.0001177900000000 ] - [ 0.0000562400000000, -0.0022994300000000, 0.0009231300000000 ] - [ 0.0009697000000000, 0.0010967700000000, 0.0001656200000000 ] - [ -0.0008560000000000, 0.0010967100000000, 0.0016783800000000 ] - [ 0.0005125400000000, -0.0003980400000000, -0.0004390800000000 ] - [ 0.0005929900000000, 0.0001998400000000, -0.0005463400000000 ] - [ 0.0004332000000000, 0.0002010500000000, -0.0003295500000000 ] - [ 0.0005125700000000, -0.0010880900000000, 0.0000337900000000 ] - [ 0.0000116200000000, 0.0004865300000000, 0.0012491900000000 ] - [ 0.0009995700000000, 0.0004918100000000, -0.0011292700000000 ] - [ -0.0007735100000000, -0.0003455500000000, 0.0018394800000000 ] - [ -0.0002411700000000, -0.0003470000000000, -0.0019498000000000 ] - [ -0.0005075600000000, 0.0006984200000000, -0.0000546900000000 ] - [ -0.0004326700000000, -0.0001456800000000, 0.0004542600000000 ] - [ -0.0005918100000000, -0.0001496200000000, 0.0004192000000000 ] - [ -0.0005131600000000, 0.0002963300000000, 0.0004382800000000 ] - [ -0.0000734900000000, -0.0004295600000000, -0.0015061300000000 ] - [ -0.0000365600000000, -0.0004426200000000, -0.0003378200000000 ] - [ -0.0000563800000000, 0.0009275400000000, -0.0009219700000000 ] - [ -0.0005117400000000, -0.0003361000000000, 0.0001148700000000 ] - [ -0.0003227600000000, 0.0001664500000000, 0.0003668300000000 ] - [ -0.0006956100000000, 0.0001686000000000, -0.0001297100000000 ] - [ -0.0000866300000000, -0.0012987500000000, -0.0004339100000000 ] - [ -0.0003481500000000, 0.0006843000000000, -0.0007112000000000 ] - [ 0.0001543700000000, 0.0006873800000000, -0.0001616500000000 ] - [ -0.0000686400000000, 0.0007540700000000, -0.0001554100000000 ] - [ 0.0006599100000000, -0.0000437500000000, 0.0007986400000000 ] - [ -0.0007796400000000, -0.0000433100000000, -0.0010818500000000 ] - [ -0.0006809400000000, 0.0000059700000000, -0.0000004900000000 ] - [ -0.0003015600000000, 0.0000067300000000, 0.0005280000000000 ] - [ -0.0004908700000000, -0.0000417700000000, 0.0002653500000000 ] - [ 0.0001392100000000, -0.0012416900000000, 0.0003045900000000 ] - [ -0.0011222700000000, 0.0002120300000000, 0.0001404400000000 ] - [ 0.0013352700000000, 0.0002118500000000, 0.0004568200000000 ] - [ -0.0002747500000000, -0.0002053200000000, 0.0085731600000000 ] - [ 0.0000500600000000, -0.0001862100000000, -0.0091846200000000 ] - [ -0.0001133400000000, 0.0005081000000000, -0.0003024700000000 ] - [ 0.0004916300000000, 0.0000723500000000, -0.0002655500000000 ] - [ 0.0004207700000000, -0.0000369300000000, -0.0003498500000000 ] - [ 0.0005619700000000, -0.0000371700000000, -0.0001804100000000 ] - [ 0.0001732200000000, 0.0001011300000000, 0.0002577300000000 ] - [ -0.0000451200000000, 0.0001013000000000, 0.0000349200000000 ] - [ 0.0000639300000000, -0.0001832800000000, 0.0001458100000000 ] - [ -0.0007586300000000, 0.0059383900000000, -0.0006904200000000 ] - [ -0.0018925600000000, -0.0012342600000000, -0.0011836400000000 ] - [ 0.0003791500000000, -0.0012284400000000, -0.0001742000000000 ] - [ 0.0014000900000000, 0.0000431300000000, 0.0000694300000000 ] - [ 0.0011283900000000, 0.0000438500000000, -0.0001056000000000 ] - [ 0.0012637300000000, -0.0000839700000000, -0.0000190000000000 ] - [ 0.0001008200000000, 0.0002379600000000, 0.0005032500000000 ] - [ -0.0000436400000000, -0.0001104200000000, -0.0000400300000000 ] - [ 0.0002417300000000, -0.0001117600000000, 0.0010255600000000 ] - [ -0.0004608600000000, 0.0003977200000000, 0.0001185100000000 ] - [ -0.0000309000000000, 0.0003986900000000, 0.0002606600000000 ] - [ -0.0002452000000000, -0.0007375200000000, 0.0001896500000000 ] - [ 0.0002172100000000, 0.0000797700000000, -0.0000105200000000 ] - [ 0.0000446600000000, -0.0000439800000000, 0.0001947600000000 ] - [ 0.0003884500000000, -0.0000446400000000, -0.0002149300000000 ] - [ -0.0005414300000000, 0.0000609400000000, 0.0007592000000000 ] - [ -0.0005181100000000, 0.0000612100000000, 0.0004298700000000 ] - [ -0.0005295700000000, -0.0001146200000000, 0.0005936400000000 ] - [ -0.0005119800000000, 0.0001002800000000, -0.0012155300000000 ] - [ -0.0005867000000000, 0.0001069700000000, -0.0018999700000000 ] - [ -0.0005500300000000, -0.0003029400000000, -0.0015580900000000 ] - [ -0.0008188400000000, 0.0020782600000000, 0.0006109000000000 ] - [ -0.0008226300000000, -0.0010584600000000, 0.0009008200000000 ] - [ -0.0008077800000000, -0.0010632400000000, 0.0003205400000000 ] - [ 0.0002145700000000, 0.0051178500000000, -0.0005282800000000 ] - [ 0.0013150700000000, -0.0010671400000000, -0.0012047400000000 ] - [ -0.0009573400000000, -0.0010577300000000, 0.0001912700000000 ] - [ -0.0003113500000000, 0.0019631400000000, 0.0004894700000000 ] - [ 0.0004213200000000, -0.0005179800000000, 0.0005955400000000 ] - [ -0.0010100800000000, -0.0005167200000000, 0.0004029300000000 ] - [ 0.0042585700000000, 0.0005657000000000, -0.0035414500000000 ] - [ -0.0032028300000000, 0.0005605600000000, 0.0038214400000000 ] - [ 0.0005312900000000, -0.0004369200000000, 0.0001357400000000 ] - [ 0.0003411200000000, 0.0007478800000000, 0.0003824200000000 ] - [ 0.0004102100000000, -0.0003660400000000, 0.0006190000000000 ] - [ 0.0002738400000000, -0.0003662700000000, 0.0001469100000000 ] - [ -0.0004560400000000, 0.0002323800000000, 0.0000155500000000 ] - [ -0.0002139400000000, -0.0001004200000000, -0.0001884800000000 ] - [ -0.0006895100000000, -0.0001019100000000, 0.0002080100000000 ] - [ 0.0007982200000000, 0.0001055800000000, -0.0004458300000000 ] - [ 0.0001076900000000, 0.0001069500000000, 0.0004273500000000 ] - [ 0.0004525200000000, -0.0002138600000000, -0.0000101300000000 ] - [ -0.0002353300000000, 0.0002796100000000, -0.0003150800000000 ] - [ -0.0004494700000000, 0.0002864400000000, -0.0004475200000000 ] - [ -0.0003413200000000, -0.0004828300000000, -0.0003830000000000 ] - [ -0.0005471600000000, -0.0001196800000000, -0.0001334100000000 ] - [ 0.0002101600000000, -0.0001664100000000, -0.0004673000000000 ] - [ -0.0012667400000000, -0.0001694300000000, 0.0001963300000000 ] - [ 0.0042324200000000, -0.0004374800000000, -0.0055002000000000 ] - [ -0.0035936200000000, -0.0001103600000000, 0.0043183400000000 ] - [ 0.0002967800000000, -0.0012535700000000, -0.0004963500000000 ] - [ -0.0020083100000000, 0.0002630000000000, -0.0034239400000000 ] - [ 0.0016694500000000, 0.0002627300000000, 0.0044428300000000 ] - [ -0.0001717500000000, -0.0003752500000000, 0.0005052400000000 ] - [ 0.0027012800000000, 0.0002194900000000, -0.0004867600000000 ] - [ -0.0010756000000000, 0.0002250500000000, -0.0007367800000000 ] - [ 0.0008162200000000, -0.0005091200000000, -0.0006104400000000 ] - [ 0.0005503900000000, 0.0004163100000000, 0.0015580700000000 ] - [ 0.0006368400000000, -0.0002090700000000, 0.0016040700000000 ] - [ 0.0004641300000000, -0.0002091700000000, 0.0015128200000000 ] - [ 0.0005301800000000, 0.0000772600000000, -0.0005928100000000 ] - [ 0.0004741200000000, -0.0000408300000000, -0.0005704900000000 ] - [ 0.0005849100000000, -0.0000419300000000, -0.0006162300000000 ] - [ -0.0003247000000000, 0.0000978200000000, 0.0001768500000000 ] - [ -0.0001085600000000, 0.0000998500000000, -0.0001546500000000 ] - [ -0.0002163900000000, -0.0001985500000000, 0.0000102300000000 ] - [ 0.0002575300000000, -0.0001316100000000, -0.0001850100000000 ] - [ -0.0004477000000000, -0.0001501900000000, -0.0004148500000000 ] - [ 0.0009317600000000, -0.0001535500000000, 0.0000343300000000 ] - [ -0.0001245000000000, -0.0000002800000000, -0.0005488100000000 ] - [ -0.0000745400000000, -0.0000004300000000, -0.0004401700000000 ] - [ -0.0000994500000000, -0.0000034300000000, -0.0004942100000000 ] - [ -0.0012645600000000, 0.0000454200000000, 0.0000197100000000 ] - [ -0.0011949800000000, -0.0000229700000000, 0.0000058100000000 ] - [ -0.0013330700000000, -0.0000232000000000, 0.0000321200000000 ] - [ 0.0005119500000000, 0.0001781300000000, 0.0006248300000000 ] - [ 0.0009901200000000, 0.0001807800000000, 0.0007297700000000 ] - [ 0.0007512000000000, -0.0003622400000000, 0.0006772400000000 ]- atom: 4 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0004208900000000, -0.0006029600000000, 0.0009108600000000 ] - [ 0.0004208900000000, 0.0006029600000000, 0.0009108600000000 ] - [ -0.0001350700000000, 0.0000000000000000, 0.0000659700000000 ] - [ 0.0242349400000000, 0.0000000000000000, -0.0294425400000000 ] - [ 0.0003633800000000, -0.0002447900000000, -0.0011133300000000 ] - [ 0.0003633800000000, 0.0002447900000000, -0.0011133300000000 ] - [ 0.0013710400000000, 0.0003871000000000, -0.0003823600000000 ] - [ 0.0013710400000000, -0.0003871000000000, -0.0003823600000000 ] - [ 0.0002967900000000, 0.0000000000000000, -0.0003920300000000 ] - [ 0.0003084100000000, 0.0000000000000000, 0.0000247600000000 ] - [ 0.0002615600000000, -0.0000124000000000, -0.0000222600000000 ] - [ 0.0002615600000000, 0.0000124000000000, -0.0000222600000000 ] - [ -0.0064284800000000, 0.0015906000000000, -0.0022340400000000 ] - [ -0.0064284800000000, -0.0015906000000000, -0.0022340400000000 ] - [ -0.0005761400000000, 0.0000000000000000, -0.0002753700000000 ] - [ 0.0005465300000000, -0.0000344400000000, 0.0005493100000000 ] - [ 0.0005465300000000, 0.0000344400000000, 0.0005493100000000 ] - [ 0.0005160100000000, 0.0000000000000000, 0.0003540500000000 ] - [ -0.0015150600000000, 0.0000000000000000, 0.0024345900000000 ] - [ -0.0007362500000000, -0.0007139600000000, 0.0016186800000000 ] - [ -0.0007362500000000, 0.0007139600000000, 0.0016186800000000 ] - [ 0.0005318100000000, 0.0000000000000000, 0.0009969700000000 ] - [ 0.0004310500000000, 0.0000735300000000, 0.0004195600000000 ] - [ 0.0004310500000000, -0.0000735300000000, 0.0004195600000000 ] - [ -0.0029339400000000, 0.0000000000000000, 0.0084486700000000 ] - [ 0.0003264800000000, 0.0011565900000000, 0.0005492700000000 ] - [ 0.0003264800000000, -0.0011565900000000, 0.0005492700000000 ] - [ -0.0007129000000000, 0.0001964200000000, 0.0023316000000000 ] - [ -0.0007129000000000, -0.0001964200000000, 0.0023316000000000 ] - [ -0.0004705000000000, 0.0000000000000000, 0.0007478800000000 ] - [ -0.0007966800000000, -0.0004115900000000, 0.0014778200000000 ] - [ -0.0007966800000000, 0.0004115900000000, 0.0014778200000000 ] - [ -0.0006101500000000, 0.0000000000000000, 0.0009753800000000 ] - [ -0.0009797000000000, -0.0009823500000000, -0.0017604200000000 ] - [ -0.0009797000000000, 0.0009823500000000, -0.0017604200000000 ] - [ -0.0003673800000000, 0.0000000000000000, -0.0014709500000000 ] - [ 0.0000961600000000, 0.0000000000000000, 0.0011459500000000 ] - [ -0.0004667400000000, 0.0002648600000000, 0.0003827700000000 ] - [ -0.0004667400000000, -0.0002648600000000, 0.0003827700000000 ] - [ -0.0011551400000000, 0.0000000000000000, -0.0017401100000000 ] - [ -0.0004275600000000, -0.0001198400000000, -0.0009942700000000 ] - [ -0.0004275600000000, 0.0001198400000000, -0.0009942700000000 ] - [ 0.0021302700000000, 0.0000000000000000, 0.0011257300000000 ] - [ -0.0003726200000000, 0.0000986700000000, -0.0008846600000000 ] - [ -0.0003726200000000, -0.0000986700000000, -0.0008846600000000 ] - [ -0.0000389500000000, 0.0000859000000000, 0.0016276200000000 ] - [ -0.0000389500000000, -0.0000859000000000, 0.0016276200000000 ] - [ -0.0004355900000000, 0.0000000000000000, 0.0008418200000000 ] - [ -0.0083188800000000, 0.0000000000000000, -0.0078322200000000 ] - [ -0.0004213300000000, 0.0001630700000000, -0.0008615400000000 ] - [ -0.0004213300000000, -0.0001630700000000, -0.0008615400000000 ] - [ -0.0010342300000000, 0.0022545600000000, 0.0065583500000000 ] - [ -0.0010342300000000, -0.0022545600000000, 0.0065583500000000 ] - [ -0.0000993700000000, 0.0000000000000000, -0.0000705800000000 ] - [ 0.0005845400000000, 0.0000000000000000, 0.0007177800000000 ] - [ 0.0005304400000000, 0.0000033400000000, 0.0004508700000000 ] - [ 0.0005304400000000, -0.0000033400000000, 0.0004508700000000 ] - [ -0.0004509100000000, -0.0000400400000000, 0.0002725600000000 ] - [ -0.0004509100000000, 0.0000400400000000, 0.0002725600000000 ] - [ -0.0004208400000000, 0.0000000000000000, 0.0002336300000000 ] - [ -0.0028516100000000, 0.0000000000000000, 0.0047263900000000 ] - [ -0.0006450900000000, 0.0000818500000000, 0.0004078500000000 ] - [ -0.0006450900000000, -0.0000818500000000, 0.0004078500000000 ] - [ 0.0009884100000000, 0.0000742100000000, -0.0005268200000000 ] - [ 0.0009884100000000, -0.0000742100000000, -0.0005268200000000 ] - [ 0.0012627900000000, 0.0000000000000000, -0.0002614000000000 ] - [ -0.0010067100000000, 0.0000000000000000, -0.0002107300000000 ] - [ -0.0000863800000000, -0.0002432500000000, 0.0007948800000000 ] - [ -0.0000863800000000, 0.0002432500000000, 0.0007948800000000 ] - [ 0.0003320300000000, -0.0002391500000000, 0.0000803600000000 ] - [ 0.0003320300000000, 0.0002391500000000, 0.0000803600000000 ] - [ 0.0003713300000000, 0.0000000000000000, 0.0001618600000000 ] - [ 0.0003060500000000, 0.0000000000000000, -0.0006147000000000 ] - [ 0.0002981800000000, -0.0000523100000000, -0.0004362700000000 ] - [ 0.0002981800000000, 0.0000523100000000, -0.0004362700000000 ] - [ -0.0003621400000000, -0.0000170200000000, -0.0002371700000000 ] - [ -0.0003621400000000, 0.0000170200000000, -0.0002371700000000 ] - [ -0.0004448700000000, 0.0000000000000000, 0.0001968400000000 ] - [ -0.0010247300000000, 0.0007509100000000, -0.0026452400000000 ] - [ -0.0010247300000000, -0.0007509100000000, -0.0026452400000000 ] - [ -0.0007922300000000, 0.0000000000000000, -0.0019613800000000 ] - [ 0.0001195900000000, 0.0000000000000000, 0.0006254300000000 ] - [ -0.0005910100000000, 0.0001222000000000, 0.0007464600000000 ] - [ -0.0005910100000000, -0.0001222000000000, 0.0007464600000000 ] - [ -0.0103477500000000, 0.0000000000000000, 0.0117250100000000 ] - [ 0.0005697200000000, -0.0006445900000000, 0.0001271300000000 ] - [ 0.0005697200000000, 0.0006445900000000, 0.0001271300000000 ] - [ -0.0010965800000000, 0.0000000000000000, 0.0052183900000000 ] - [ -0.0004160200000000, 0.0001172200000000, 0.0012857300000000 ] - [ -0.0004160200000000, -0.0001172200000000, 0.0012857300000000 ] - [ 0.0028486600000000, -0.0002325400000000, -0.0013407900000000 ] - [ 0.0028486600000000, 0.0002325400000000, -0.0013407900000000 ] - [ 0.0006756300000000, 0.0000000000000000, 0.0001809900000000 ] - [ 0.0005517800000000, 0.0000000000000000, -0.0004525300000000 ] - [ 0.0004863900000000, 0.0002125000000000, -0.0001794500000000 ] - [ 0.0004863900000000, -0.0002125000000000, -0.0001794500000000 ] - [ 0.0004535000000000, 0.0000000000000000, -0.0021315500000000 ] - [ -0.0005125100000000, -0.0001460400000000, -0.0005882400000000 ] - [ -0.0005125100000000, 0.0001460400000000, -0.0005882400000000 ] - [ 0.0006365000000000, 0.0001029500000000, -0.0011198700000000 ] - [ 0.0006365000000000, -0.0001029500000000, -0.0011198700000000 ] - [ 0.0005187900000000, 0.0000000000000000, -0.0005586600000000 ] - [ 0.0006540000000000, 0.0010497400000000, -0.0009156600000000 ] - [ 0.0006540000000000, -0.0010497400000000, -0.0009156600000000 ] - [ 0.0001327700000000, 0.0000000000000000, -0.0005021200000000 ] - [ 0.0037051900000000, 0.0000000000000000, 0.0010452800000000 ] - [ -0.0003594400000000, -0.0001521900000000, 0.0004346300000000 ] - [ -0.0003594400000000, 0.0001521900000000, 0.0004346300000000 ] - [ 0.0021653100000000, -0.0042336400000000, 0.0010972400000000 ] - [ 0.0021653100000000, 0.0042336400000000, 0.0010972400000000 ] - [ 0.0004419700000000, 0.0000000000000000, -0.0003500200000000 ] - [ -0.0011953100000000, -0.0005202300000000, -0.0023189800000000 ] - [ -0.0011953100000000, 0.0005202300000000, -0.0023189800000000 ] - [ -0.0002459700000000, 0.0000000000000000, 0.0002007200000000 ] - [ 0.0023178400000000, 0.0002142900000000, 0.0003439900000000 ] - [ 0.0023178400000000, -0.0002142900000000, 0.0003439900000000 ] - [ 0.0010987800000000, 0.0000000000000000, -0.0001113400000000 ] - [ 0.0001274200000000, 0.0000000000000000, 0.0009077100000000 ] - [ 0.0002535600000000, 0.0001383600000000, 0.0010682100000000 ] - [ 0.0002535600000000, -0.0001383600000000, 0.0010682100000000 ] - [ 0.0006722700000000, 0.0000000000000000, -0.0012357800000000 ] - [ 0.0007408400000000, -0.0001232400000000, -0.0010768100000000 ] - [ 0.0007408400000000, 0.0001232400000000, -0.0010768100000000 ] - [ -0.0002510500000000, 0.0001767300000000, -0.0001095100000000 ] - [ -0.0002510500000000, -0.0001767300000000, -0.0001095100000000 ] - [ -0.0002886100000000, 0.0000000000000000, 0.0000501100000000 ] - [ -0.0012045000000000, 0.0000000000000000, -0.0003845200000000 ] - [ 0.0006317400000000, -0.0001907800000000, 0.0000460500000000 ] - [ 0.0006317400000000, 0.0001907800000000, 0.0000460500000000 ] - [ -0.0000761500000000, 0.0000087100000000, -0.0008302000000000 ] - [ -0.0000761500000000, -0.0000087100000000, -0.0008302000000000 ] - [ -0.0000503300000000, 0.0000000000000000, -0.0007415600000000 ] - [ -0.0012203400000000, 0.0000000000000000, -0.0004421300000000 ] - [ -0.0012279600000000, -0.0000144900000000, -0.0002703900000000 ] - [ -0.0012279600000000, 0.0000144900000000, -0.0002703900000000 ] - [ 0.0007424000000000, 0.0000616100000000, 0.0008616500000000 ] - [ 0.0007424000000000, -0.0000616100000000, 0.0008616500000000 ] - [ 0.0008450900000000, 0.0000000000000000, 0.0008399700000000 ]- atom: 4 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0008223400000000, 0.0005990100000000, -0.0006639700000000 ] - [ -0.0008223400000000, -0.0005990100000000, -0.0006639700000000 ] - [ -0.0002731600000000, 0.0000000000000000, 0.0001742700000000 ] - [ -0.0237829200000000, 0.0000000000000000, 0.0296873600000000 ] - [ -0.0005890700000000, 0.0002399300000000, 0.0015799100000000 ] - [ -0.0005890700000000, -0.0002399300000000, 0.0015799100000000 ] - [ -0.0011460500000000, -0.0003886300000000, -0.0000771900000000 ] - [ -0.0011460500000000, 0.0003886300000000, -0.0000771900000000 ] - [ -0.0000696300000000, 0.0000000000000000, -0.0000780100000000 ] - [ 0.0001005000000000, 0.0000000000000000, -0.0002660900000000 ] - [ 0.0001463600000000, 0.0000124600000000, -0.0002209700000000 ] - [ 0.0001463600000000, -0.0000124600000000, -0.0002209700000000 ] - [ 0.0066109400000000, -0.0015912500000000, 0.0031386900000000 ] - [ 0.0066109400000000, 0.0015912500000000, 0.0031386900000000 ] - [ 0.0007669100000000, 0.0000000000000000, 0.0011473600000000 ] - [ 0.0004742100000000, 0.0000345000000000, -0.0007840100000000 ] - [ 0.0004742100000000, -0.0000345000000000, -0.0007840100000000 ] - [ 0.0005048100000000, 0.0000000000000000, -0.0005893400000000 ] - [ 0.0016314400000000, 0.0000000000000000, -0.0005927600000000 ] - [ 0.0008502400000000, 0.0007149800000000, 0.0002299100000000 ] - [ 0.0008502400000000, -0.0007149800000000, 0.0002299100000000 ] - [ 0.0004949200000000, 0.0000000000000000, -0.0018710900000000 ] - [ 0.0005949900000000, -0.0000728400000000, -0.0012947200000000 ] - [ 0.0005949900000000, 0.0000728400000000, -0.0012947200000000 ] - [ 0.0039111100000000, 0.0000000000000000, -0.0083118700000000 ] - [ 0.0006880200000000, -0.0011529600000000, -0.0004427500000000 ] - [ 0.0006880200000000, 0.0011529600000000, -0.0004427500000000 ] - [ -0.0003005500000000, -0.0001969400000000, -0.0024443500000000 ] - [ -0.0003005500000000, 0.0001969400000000, -0.0024443500000000 ] - [ -0.0005443300000000, 0.0000000000000000, -0.0008546500000000 ] - [ -0.0002290800000000, 0.0004112400000000, -0.0006028500000000 ] - [ -0.0002290800000000, -0.0004112400000000, -0.0006028500000000 ] - [ -0.0004154800000000, 0.0000000000000000, -0.0001005200000000 ] - [ 0.0008637600000000, 0.0009875100000000, -0.0000902600000000 ] - [ 0.0008637600000000, -0.0009875100000000, -0.0000902600000000 ] - [ 0.0002552200000000, 0.0000000000000000, -0.0003781700000000 ] - [ -0.0011134500000000, 0.0000000000000000, -0.0009102000000000 ] - [ -0.0005523800000000, -0.0002641800000000, -0.0001483100000000 ] - [ -0.0005523800000000, 0.0002641800000000, -0.0001483100000000 ] - [ 0.0009732900000000, 0.0000000000000000, 0.0008713800000000 ] - [ 0.0002368900000000, 0.0001185800000000, 0.0001222700000000 ] - [ 0.0002368900000000, -0.0001185800000000, 0.0001222700000000 ] - [ -0.0022429100000000, 0.0000000000000000, -0.0014555600000000 ] - [ 0.0002473000000000, -0.0000992700000000, 0.0005889800000000 ] - [ 0.0002473000000000, 0.0000992700000000, 0.0005889800000000 ] - [ -0.0009402500000000, -0.0000859600000000, -0.0010951300000000 ] - [ -0.0009402500000000, 0.0000859600000000, -0.0010951300000000 ] - [ -0.0005460400000000, 0.0000000000000000, -0.0003120400000000 ] - [ 0.0085606400000000, 0.0000000000000000, 0.0084282700000000 ] - [ 0.0006473800000000, -0.0001636600000000, 0.0014610200000000 ] - [ 0.0006473800000000, 0.0001636600000000, 0.0014610200000000 ] - [ 0.0008212000000000, -0.0023140500000000, -0.0071657000000000 ] - [ 0.0008212000000000, 0.0023140500000000, -0.0071657000000000 ] - [ -0.0001259600000000, 0.0000000000000000, -0.0005287300000000 ] - [ 0.0003985300000000, 0.0000000000000000, -0.0012482400000000 ] - [ 0.0004523400000000, -0.0000033500000000, -0.0009813500000000 ] - [ 0.0004523400000000, 0.0000033500000000, -0.0009813500000000 ] - [ 0.0005777600000000, 0.0000399600000000, 0.0000210500000000 ] - [ 0.0005777600000000, -0.0000399600000000, 0.0000210500000000 ] - [ 0.0005485900000000, 0.0000000000000000, 0.0000600200000000 ] - [ 0.0013598600000000, 0.0000000000000000, -0.0060588000000000 ] - [ -0.0008565900000000, -0.0000812200000000, -0.0017626600000000 ] - [ -0.0008565900000000, 0.0000812200000000, -0.0017626600000000 ] - [ 0.0015387100000000, -0.0000738400000000, 0.0004883500000000 ] - [ 0.0015387100000000, 0.0000738400000000, 0.0004883500000000 ] - [ 0.0012654900000000, 0.0000000000000000, 0.0002233900000000 ] - [ 0.0011902700000000, 0.0000000000000000, 0.0012127600000000 ] - [ 0.0002845100000000, 0.0002431000000000, 0.0001961800000000 ] - [ 0.0002845100000000, -0.0002431000000000, 0.0001961800000000 ] - [ -0.0008224000000000, 0.0002388700000000, 0.0002975200000000 ] - [ -0.0008224000000000, -0.0002388700000000, 0.0002975200000000 ] - [ -0.0008620400000000, 0.0000000000000000, 0.0002156600000000 ] - [ 0.0001276000000000, 0.0000000000000000, 0.0005920400000000 ] - [ 0.0001357000000000, 0.0000521900000000, 0.0004141700000000 ] - [ 0.0001357000000000, -0.0000521900000000, 0.0004141700000000 ] - [ -0.0006966700000000, 0.0000170500000000, 0.0014225500000000 ] - [ -0.0006966700000000, -0.0000170500000000, 0.0014225500000000 ] - [ -0.0006141600000000, 0.0000000000000000, 0.0009902300000000 ] - [ -0.0000743200000000, -0.0007520900000000, -0.0004753800000000 ] - [ -0.0000743200000000, 0.0007520900000000, -0.0004753800000000 ] - [ -0.0003077900000000, 0.0000000000000000, -0.0011548700000000 ] - [ -0.0017622000000000, 0.0000000000000000, 0.0005904100000000 ] - [ -0.0010398800000000, -0.0001179600000000, 0.0004702300000000 ] - [ -0.0010398800000000, 0.0001179600000000, 0.0004702300000000 ] - [ 0.0098678500000000, 0.0000000000000000, -0.0122641100000000 ] - [ -0.0002257900000000, 0.0006439600000000, -0.0011313800000000 ] - [ -0.0002257900000000, -0.0006439600000000, -0.0011313800000000 ] - [ 0.0004915000000000, 0.0000000000000000, -0.0042231700000000 ] - [ -0.0001777300000000, -0.0001157700000000, -0.0002911600000000 ] - [ -0.0001777300000000, 0.0001157700000000, -0.0002911600000000 ] - [ -0.0017815400000000, 0.0002436500000000, 0.0015971900000000 ] - [ -0.0017815400000000, -0.0002436500000000, 0.0015971900000000 ] - [ 0.0003883300000000, 0.0000000000000000, 0.0000860600000000 ] - [ 0.0001300100000000, 0.0000000000000000, 0.0012158500000000 ] - [ 0.0001964400000000, -0.0002131300000000, 0.0009434200000000 ] - [ 0.0001964400000000, 0.0002131300000000, 0.0009434200000000 ] - [ -0.0013591100000000, 0.0000000000000000, 0.0021501800000000 ] - [ -0.0003923500000000, 0.0001458200000000, 0.0006087000000000 ] - [ -0.0003923500000000, -0.0001458200000000, 0.0006087000000000 ] - [ 0.0002691700000000, -0.0001027500000000, 0.0010993300000000 ] - [ 0.0002691700000000, 0.0001027500000000, 0.0010993300000000 ] - [ 0.0003875700000000, 0.0000000000000000, 0.0005372600000000 ] - [ -0.0013326700000000, -0.0010457700000000, 0.0001524900000000 ] - [ -0.0013326700000000, 0.0010457700000000, 0.0001524900000000 ] - [ -0.0008140300000000, 0.0000000000000000, -0.0002621600000000 ] - [ -0.0047789100000000, 0.0000000000000000, -0.0013216300000000 ] - [ -0.0007033800000000, 0.0001532200000000, -0.0007033100000000 ] - [ -0.0007033800000000, -0.0001532200000000, -0.0007033100000000 ] - [ -0.0015353500000000, 0.0041206600000000, -0.0022166400000000 ] - [ -0.0015353500000000, -0.0041206600000000, -0.0022166400000000 ] - [ 0.0001529800000000, 0.0000000000000000, -0.0006486500000000 ] - [ 0.0008454800000000, 0.0005322200000000, 0.0033252200000000 ] - [ 0.0008454800000000, -0.0005322200000000, 0.0033252200000000 ] - [ -0.0000986500000000, 0.0000000000000000, 0.0008060300000000 ] - [ -0.0006820800000000, -0.0002162400000000, -0.0015647300000000 ] - [ -0.0006820800000000, 0.0002162400000000, -0.0015647300000000 ] - [ 0.0005353300000000, 0.0000000000000000, -0.0011090800000000 ] - [ 0.0009737200000000, 0.0000000000000000, 0.0022070700000000 ] - [ 0.0008478300000000, -0.0001388800000000, 0.0020475000000000 ] - [ 0.0008478300000000, 0.0001388800000000, 0.0020475000000000 ] - [ 0.0003874300000000, 0.0000000000000000, 0.0000481100000000 ] - [ 0.0003192800000000, 0.0001231300000000, -0.0001111100000000 ] - [ 0.0003192800000000, -0.0001231300000000, -0.0001111100000000 ] - [ -0.0001820600000000, -0.0001768000000000, 0.0001318000000000 ] - [ -0.0001820600000000, 0.0001768000000000, 0.0001318000000000 ] - [ -0.0001444300000000, 0.0000000000000000, -0.0000283900000000 ] - [ 0.0017186600000000, 0.0000000000000000, 0.0000171000000000 ] - [ -0.0001399500000000, 0.0001915700000000, -0.0004244200000000 ] - [ -0.0001399500000000, -0.0001915700000000, -0.0004244200000000 ] - [ -0.0001220500000000, -0.0000083600000000, -0.0001612100000000 ] - [ -0.0001220500000000, 0.0000083600000000, -0.0001612100000000 ] - [ -0.0001479000000000, 0.0000000000000000, -0.0002495400000000 ] - [ -0.0013077100000000, 0.0000000000000000, 0.0004791500000000 ] - [ -0.0012998800000000, 0.0000144900000000, 0.0003074300000000 ] - [ -0.0012998800000000, -0.0000144900000000, 0.0003074300000000 ] - [ 0.0007611200000000, -0.0000623800000000, 0.0004919300000000 ] - [ 0.0007611200000000, 0.0000623800000000, 0.0004919300000000 ] - [ 0.0006578000000000, 0.0000000000000000, 0.0005131200000000 ]- atom: 13 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0002553500000000, 0.0000000000000000, -0.0017215800000000 ] - [ -0.0001394100000000, -0.0006973400000000, -0.0004774000000000 ] - [ -0.0001394100000000, 0.0006973400000000, -0.0004774000000000 ] - [ 0.0072902700000000, -0.0103777900000000, -0.0046868000000000 ] - [ -0.0000694500000000, 0.0000000000000000, -0.0004569000000000 ] - [ 0.0072902700000000, 0.0103777900000000, -0.0046868000000000 ] - [ 0.0064130400000000, 0.0000000000000000, 0.0001795300000000 ] - [ 0.0013907000000000, -0.0002521500000000, -0.0002702400000000 ] - [ 0.0013907000000000, 0.0002521500000000, -0.0002702400000000 ] - [ 0.0007725500000000, 0.0000313600000000, -0.0004369800000000 ] - [ 0.0004940600000000, 0.0000000000000000, -0.0005397000000000 ] - [ 0.0007725500000000, -0.0000313600000000, -0.0004369800000000 ] - [ -0.1212259100000000, 0.0000000000000000, 0.0029262400000000 ] - [ -0.0115101700000000, 0.0003806300000000, 0.0055491700000000 ] - [ -0.0115101700000000, -0.0003806300000000, 0.0055491700000000 ] - [ 0.0000656700000000, 0.0000000000000000, -0.0015089700000000 ] - [ 0.0001177000000000, 0.0000041800000000, -0.0006827300000000 ] - [ 0.0001177000000000, -0.0000041800000000, -0.0006827300000000 ] - [ -0.0126956500000000, -0.0057962400000000, -0.0047753300000000 ] - [ -0.0014050900000000, 0.0000000000000000, 0.0009432400000000 ] - [ -0.0126956500000000, 0.0057962400000000, -0.0047753300000000 ] - [ -0.0003982000000000, -0.0005960700000000, 0.0004622400000000 ] - [ 0.0000936700000000, 0.0000000000000000, -0.0000884200000000 ] - [ -0.0003982000000000, 0.0005960700000000, 0.0004622400000000 ] - [ 0.0022353700000000, 0.0002344700000000, -0.0007989500000000 ] - [ 0.0009149200000000, 0.0000000000000000, 0.0003128200000000 ] - [ 0.0022353700000000, -0.0002344700000000, -0.0007989500000000 ] - [ -0.0007308900000000, 0.0000000000000000, 0.0103988200000000 ] - [ -0.0002303800000000, -0.0012368700000000, 0.0010955500000000 ] - [ -0.0002303800000000, 0.0012368700000000, 0.0010955500000000 ] - [ 0.0002135700000000, 0.0000000000000000, 0.0026063600000000 ] - [ -0.0002422700000000, -0.0002237600000000, 0.0013280000000000 ] - [ -0.0002422700000000, 0.0002237600000000, 0.0013280000000000 ] - [ 0.0052241200000000, 0.0000000000000000, 0.0215862700000000 ] - [ 0.0003256100000000, 0.0016443000000000, 0.0018382100000000 ] - [ 0.0003256100000000, -0.0016443000000000, 0.0018382100000000 ] - [ -0.0023157800000000, 0.0004177800000000, -0.0006391700000000 ] - [ -0.0006802400000000, 0.0000000000000000, 0.0004797000000000 ] - [ -0.0023157800000000, -0.0004177800000000, -0.0006391700000000 ] - [ 0.0198262500000000, 0.0204712400000000, -0.0071997200000000 ] - [ -0.0000939100000000, 0.0000000000000000, -0.0006696400000000 ] - [ 0.0198262500000000, -0.0204712400000000, -0.0071997200000000 ] - [ -0.0137600600000000, 0.0013810600000000, -0.0085984400000000 ] - [ -0.0007519200000000, 0.0000000000000000, 0.0009370500000000 ] - [ -0.0137600600000000, -0.0013810600000000, -0.0085984400000000 ] - [ -0.0007939200000000, 0.0000000000000000, 0.0001882100000000 ] - [ -0.0007477500000000, -0.0000491400000000, 0.0004430800000000 ] - [ -0.0007477500000000, 0.0000491400000000, 0.0004430800000000 ] - [ 0.0058689800000000, -0.0003139000000000, 0.0008182500000000 ] - [ 0.0015136200000000, 0.0000000000000000, 0.0004849100000000 ] - [ 0.0058689800000000, 0.0003139000000000, 0.0008182500000000 ] - [ 0.0167655000000000, 0.0000000000000000, 0.0507566300000000 ] - [ -0.0010833800000000, -0.0014458100000000, 0.0022129100000000 ] - [ -0.0010833800000000, 0.0014458100000000, 0.0022129100000000 ] - [ 0.0012468800000000, 0.0001053100000000, 0.0007287900000000 ] - [ 0.0009431900000000, 0.0000000000000000, 0.0003125700000000 ] - [ 0.0012468800000000, -0.0001053100000000, 0.0007287900000000 ] - [ 0.0005089000000000, 0.0000000000000000, -0.0029972500000000 ] - [ -0.0022987500000000, 0.0000237000000000, -0.0023109300000000 ] - [ -0.0022987500000000, -0.0000237000000000, -0.0023109300000000 ] - [ 0.0116602500000000, 0.0057529300000000, 0.0049763500000000 ] - [ 0.0006673700000000, 0.0000000000000000, -0.0026108900000000 ] - [ 0.0116602500000000, -0.0057529300000000, 0.0049763500000000 ] - [ 0.0017067500000000, 0.0000000000000000, 0.0003835600000000 ] - [ 0.0016774600000000, 0.0000396100000000, 0.0001071500000000 ] - [ 0.0016774600000000, -0.0000396100000000, 0.0001071500000000 ] - [ 0.0020352000000000, 0.0000415800000000, 0.0050235400000000 ] - [ 0.0004999300000000, 0.0000000000000000, -0.0003463700000000 ] - [ 0.0020352000000000, -0.0000415800000000, 0.0050235400000000 ] - [ 0.0015869300000000, 0.0000000000000000, 0.0036244600000000 ] - [ 0.0025717800000000, 0.0007257400000000, 0.0013270200000000 ] - [ 0.0025717800000000, -0.0007257400000000, 0.0013270200000000 ] - [ 0.0003182100000000, -0.0003236300000000, 0.0004489000000000 ] - [ 0.0005609200000000, 0.0000000000000000, 0.0000335800000000 ] - [ 0.0003182100000000, 0.0003236300000000, 0.0004489000000000 ] - [ 0.0000039200000000, 0.0000000000000000, 0.0006372300000000 ] - [ -0.0000757500000000, 0.0001829800000000, 0.0004107000000000 ] - [ -0.0000757500000000, -0.0001829800000000, 0.0004107000000000 ] - [ -0.0009630800000000, 0.0000000000000000, -0.0012929600000000 ] - [ -0.0007605900000000, 0.0001013300000000, -0.0016588600000000 ] - [ -0.0007605900000000, -0.0001013300000000, -0.0016588600000000 ] - [ 0.0142856100000000, 0.0056089600000000, -0.0042567500000000 ] - [ 0.0008052000000000, 0.0000000000000000, 0.0002722300000000 ] - [ 0.0142856100000000, -0.0056089600000000, -0.0042567500000000 ] - [ -0.0046986800000000, 0.0014398900000000, 0.0002390900000000 ] - [ -0.0007341700000000, 0.0000000000000000, -0.0006843900000000 ] - [ -0.0046986800000000, -0.0014398900000000, 0.0002390900000000 ] - [ -0.0059354800000000, 0.0011469300000000, -0.0001209200000000 ] - [ -0.0011338300000000, 0.0000000000000000, 0.0003073900000000 ] - [ -0.0059354800000000, -0.0011469300000000, -0.0001209200000000 ] - [ 0.0214536700000000, 0.0000000000000000, -0.0158834100000000 ] - [ 0.0031826300000000, -0.0007670300000000, -0.0002493000000000 ] - [ 0.0031826300000000, 0.0007670300000000, -0.0002493000000000 ] - [ 0.0022576000000000, 0.0019597300000000, -0.0005677900000000 ] - [ 0.0009195500000000, 0.0000000000000000, 0.0003292000000000 ] - [ 0.0022576000000000, -0.0019597300000000, -0.0005677900000000 ] - [ -0.0008112800000000, 0.0000830700000000, -0.0003319000000000 ] - [ -0.0004441700000000, 0.0000000000000000, -0.0003106300000000 ] - [ -0.0008112800000000, -0.0000830700000000, -0.0003319000000000 ] - [ 0.0018470600000000, 0.0000000000000000, -0.0030550300000000 ] - [ 0.0004687700000000, 0.0002580800000000, -0.0007708500000000 ] - [ 0.0004687700000000, -0.0002580800000000, -0.0007708500000000 ] - [ -0.0036191300000000, 0.0000000000000000, -0.0022309600000000 ] - [ -0.0010705900000000, 0.0000265700000000, -0.0011402600000000 ] - [ -0.0010705900000000, -0.0000265700000000, -0.0011402600000000 ] - [ -0.0048687300000000, -0.0030739300000000, -0.0014321500000000 ] - [ -0.0015634900000000, 0.0000000000000000, -0.0002139400000000 ] - [ -0.0048687300000000, 0.0030739300000000, -0.0014321500000000 ] - [ 0.0304986300000000, 0.0000000000000000, -0.0105518300000000 ] - [ 0.0020868700000000, 0.0036507100000000, -0.0012508700000000 ] - [ 0.0020868700000000, -0.0036507100000000, -0.0012508700000000 ] - [ -0.0108408300000000, 0.0000000000000000, -0.0186174700000000 ] - [ -0.0002373200000000, 0.0008049100000000, -0.0002637500000000 ] - [ -0.0002373200000000, -0.0008049100000000, -0.0002637500000000 ] - [ 0.0024027500000000, 0.0000000000000000, -0.0035075200000000 ] - [ 0.0021289200000000, -0.0023874000000000, -0.0024787700000000 ] - [ 0.0021289200000000, 0.0023874000000000, -0.0024787700000000 ] - [ -0.0004638000000000, 0.0008371300000000, 0.0008201700000000 ] - [ -0.0000534500000000, 0.0000000000000000, 0.0010329000000000 ] - [ -0.0004638000000000, -0.0008371300000000, 0.0008201700000000 ] - [ 0.0007676800000000, -0.0000504500000000, -0.0009447000000000 ] - [ 0.0003797400000000, 0.0000000000000000, -0.0008646000000000 ] - [ 0.0007676800000000, 0.0000504500000000, -0.0009447000000000 ] - [ 0.0019664800000000, 0.0000000000000000, -0.0033140200000000 ] - [ -0.0000371300000000, 0.0000134700000000, -0.0007858100000000 ] - [ -0.0000371300000000, -0.0000134700000000, -0.0007858100000000 ] - [ 0.0075941300000000, -0.0033614200000000, -0.0018925800000000 ] - [ 0.0011798000000000, 0.0000000000000000, -0.0006815300000000 ] - [ 0.0075941300000000, 0.0033614200000000, -0.0018925800000000 ] - [ -0.0009296700000000, 0.0000000000000000, 0.0017600100000000 ] - [ -0.0000118400000000, 0.0002697000000000, 0.0010311000000000 ] - [ -0.0000118400000000, -0.0002697000000000, 0.0010311000000000 ] - [ -0.0018457500000000, -0.0000302300000000, 0.0000394400000000 ] - [ -0.0016459000000000, 0.0000000000000000, -0.0000784100000000 ] - [ -0.0018457500000000, 0.0000302300000000, 0.0000394400000000 ] - [ -0.0006401900000000, 0.0000000000000000, 0.0034327600000000 ] - [ 0.0006021700000000, -0.0031402500000000, 0.0042726500000000 ] - [ 0.0006021700000000, 0.0031402500000000, 0.0042726500000000 ]- atom: 13 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0001384400000000, 0.0000000000000000, 0.0019783600000000 ] - [ -0.0002587000000000, 0.0006951800000000, 0.0007278400000000 ] - [ -0.0002587000000000, -0.0006951800000000, 0.0007278400000000 ] - [ -0.0075758700000000, 0.0104877000000000, 0.0051949200000000 ] - [ -0.0001520800000000, 0.0000000000000000, 0.0009226600000000 ] - [ -0.0075758700000000, -0.0104877000000000, 0.0051949200000000 ] - [ -0.0061882400000000, 0.0000000000000000, -0.0006470300000000 ] - [ -0.0011591300000000, 0.0002565300000000, -0.0001907800000000 ] - [ -0.0011591300000000, -0.0002565300000000, -0.0001907800000000 ] - [ -0.0003686600000000, -0.0000302200000000, 0.0001793200000000 ] - [ -0.0000913700000000, 0.0000000000000000, 0.0002803700000000 ] - [ -0.0003686600000000, 0.0000302200000000, 0.0001793200000000 ] - [ 0.1231473600000000, 0.0000000000000000, -0.0009831900000000 ] - [ 0.0117136500000000, -0.0004967700000000, -0.0046816700000000 ] - [ 0.0117136500000000, 0.0004967700000000, -0.0046816700000000 ] - [ 0.0009459700000000, 0.0000000000000000, 0.0012695600000000 ] - [ 0.0008967700000000, -0.0000063200000000, 0.0004484300000000 ] - [ 0.0008967700000000, 0.0000063200000000, 0.0004484300000000 ] - [ 0.0127867000000000, 0.0057560700000000, 0.0067094200000000 ] - [ 0.0015210000000000, 0.0000000000000000, 0.0009148600000000 ] - [ 0.0127867000000000, -0.0057560700000000, 0.0067094200000000 ] - [ 0.0014245800000000, 0.0005949600000000, -0.0013213800000000 ] - [ 0.0009325800000000, 0.0000000000000000, -0.0007794900000000 ] - [ 0.0014245800000000, -0.0005949600000000, -0.0013213800000000 ] - [ -0.0012157600000000, -0.0002219700000000, 0.0009305900000000 ] - [ 0.0001037700000000, 0.0000000000000000, -0.0002000300000000 ] - [ -0.0012157600000000, 0.0002219700000000, 0.0009305900000000 ] - [ -0.0002621600000000, 0.0000000000000000, -0.0105127900000000 ] - [ -0.0007778300000000, 0.0012300900000000, -0.0012044200000000 ] - [ -0.0007778300000000, -0.0012300900000000, -0.0012044200000000 ] - [ -0.0012400800000000, 0.0000000000000000, -0.0017108200000000 ] - [ -0.0007856500000000, 0.0002254100000000, -0.0004439100000000 ] - [ -0.0007856500000000, -0.0002254100000000, -0.0004439100000000 ] - [ -0.0052838800000000, 0.0000000000000000, -0.0232200400000000 ] - [ -0.0004479100000000, -0.0016281900000000, -0.0036710000000000 ] - [ -0.0004479100000000, 0.0016281900000000, -0.0036710000000000 ] - [ 0.0012837600000000, -0.0004107700000000, 0.0008718100000000 ] - [ -0.0003440200000000, 0.0000000000000000, -0.0002449500000000 ] - [ 0.0012837600000000, 0.0004107700000000, 0.0008718100000000 ] - [ -0.0198609100000000, -0.0202239800000000, 0.0062301000000000 ] - [ -0.0001182500000000, 0.0000000000000000, -0.0002034800000000 ] - [ -0.0198609100000000, 0.0202239800000000, 0.0062301000000000 ] - [ 0.0135732600000000, -0.0014102100000000, 0.0082259800000000 ] - [ 0.0006050800000000, 0.0000000000000000, -0.0012430700000000 ] - [ 0.0135732600000000, 0.0014102100000000, 0.0082259800000000 ] - [ -0.0001846600000000, 0.0000000000000000, 0.0003515200000000 ] - [ -0.0002332600000000, 0.0000482100000000, 0.0000934800000000 ] - [ -0.0002332600000000, -0.0000482100000000, 0.0000934800000000 ] - [ -0.0056441700000000, 0.0003147200000000, -0.0002140000000000 ] - [ -0.0012854100000000, 0.0000000000000000, 0.0001200700000000 ] - [ -0.0056441700000000, -0.0003147200000000, -0.0002140000000000 ] - [ -0.0172325100000000, 0.0000000000000000, -0.0519101600000000 ] - [ 0.0008729200000000, 0.0014473400000000, -0.0028337300000000 ] - [ 0.0008729200000000, -0.0014473400000000, -0.0028337300000000 ] - [ -0.0002644900000000, -0.0001047700000000, -0.0012521100000000 ] - [ 0.0000389100000000, 0.0000000000000000, -0.0008366700000000 ] - [ -0.0002644900000000, 0.0001047700000000, -0.0012521100000000 ] - [ -0.0004055400000000, 0.0000000000000000, 0.0032543900000000 ] - [ 0.0023841700000000, -0.0000248100000000, 0.0025781600000000 ] - [ 0.0023841700000000, 0.0000248100000000, 0.0025781600000000 ] - [ -0.0132364900000000, -0.0056726200000000, -0.0062958000000000 ] - [ -0.0021693800000000, 0.0000000000000000, 0.0012706200000000 ] - [ -0.0132364900000000, 0.0056726200000000, -0.0062958000000000 ] - [ 0.0008191600000000, 0.0000000000000000, -0.0004219800000000 ] - [ 0.0008507200000000, -0.0000403700000000, -0.0001457800000000 ] - [ 0.0008507200000000, 0.0000403700000000, -0.0001457800000000 ] - [ -0.0018274300000000, -0.0000491400000000, -0.0040055000000000 ] - [ -0.0002984300000000, 0.0000000000000000, 0.0013433600000000 ] - [ -0.0018274300000000, 0.0000491400000000, -0.0040055000000000 ] - [ -0.0020348800000000, 0.0000000000000000, -0.0032207800000000 ] - [ -0.0030306400000000, -0.0007073300000000, -0.0009577500000000 ] - [ -0.0030306400000000, 0.0007073300000000, -0.0009577500000000 ] - [ 0.0001235500000000, 0.0003230000000000, -0.0004818100000000 ] - [ -0.0001268300000000, 0.0000000000000000, -0.0000590100000000 ] - [ 0.0001235500000000, -0.0003230000000000, -0.0004818100000000 ] - [ -0.0010600700000000, 0.0000000000000000, 0.0005452800000000 ] - [ -0.0009813500000000, -0.0001818200000000, 0.0007729800000000 ] - [ -0.0009813500000000, 0.0001818200000000, 0.0007729800000000 ] - [ -0.0001451700000000, 0.0000000000000000, -0.0018309000000000 ] - [ -0.0003456800000000, -0.0001045000000000, -0.0014628000000000 ] - [ -0.0003456800000000, 0.0001045000000000, -0.0014628000000000 ] - [ -0.0158460500000000, -0.0053616700000000, 0.0053003200000000 ] - [ -0.0024222400000000, 0.0000000000000000, 0.0009410500000000 ] - [ -0.0158460500000000, 0.0053616700000000, 0.0053003200000000 ] - [ 0.0050493600000000, -0.0014506100000000, -0.0012670400000000 ] - [ 0.0010752200000000, 0.0000000000000000, -0.0003259200000000 ] - [ 0.0050493600000000, 0.0014506100000000, -0.0012670400000000 ] - [ 0.0053477300000000, -0.0011467100000000, 0.0011107900000000 ] - [ 0.0005413300000000, 0.0000000000000000, 0.0006851600000000 ] - [ 0.0053477300000000, 0.0011467100000000, 0.0011107900000000 ] - [ -0.0206454900000000, 0.0000000000000000, 0.0160417700000000 ] - [ -0.0021391400000000, 0.0007727000000000, 0.0005183600000000 ] - [ -0.0021391400000000, -0.0007727000000000, 0.0005183600000000 ] - [ -0.0015902400000000, -0.0019472700000000, 0.0013174600000000 ] - [ -0.0002378300000000, 0.0000000000000000, 0.0004308100000000 ] - [ -0.0015902400000000, 0.0019472700000000, 0.0013174600000000 ] - [ -0.0000924900000000, -0.0000848200000000, 0.0003399600000000 ] - [ -0.0004619200000000, 0.0000000000000000, 0.0003257500000000 ] - [ -0.0000924900000000, 0.0000848200000000, 0.0003399600000000 ] - [ -0.0009430600000000, 0.0000000000000000, 0.0030227600000000 ] - [ 0.0004351900000000, -0.0002568100000000, 0.0007441500000000 ] - [ 0.0004351900000000, 0.0002568100000000, 0.0007441500000000 ] - [ 0.0029059600000000, 0.0000000000000000, 0.0014428800000000 ] - [ 0.0003894600000000, -0.0000313600000000, 0.0003698600000000 ] - [ 0.0003894600000000, 0.0000313600000000, 0.0003698600000000 ] - [ 0.0038030200000000, 0.0030639900000000, 0.0011590000000000 ] - [ 0.0005008200000000, 0.0000000000000000, -0.0000559500000000 ] - [ 0.0038030200000000, -0.0030639900000000, 0.0011590000000000 ] - [ -0.0324842300000000, 0.0000000000000000, 0.0091469100000000 ] - [ -0.0015063300000000, -0.0036731100000000, 0.0002612000000000 ] - [ -0.0015063300000000, 0.0036731100000000, 0.0002612000000000 ] - [ 0.0105053200000000, 0.0000000000000000, 0.0196972000000000 ] - [ -0.0001139700000000, -0.0008072100000000, 0.0012769600000000 ] - [ -0.0001139700000000, 0.0008072100000000, 0.0012769600000000 ] - [ 0.0002985900000000, 0.0000000000000000, 0.0024537900000000 ] - [ -0.0004709900000000, 0.0023709900000000, 0.0012511700000000 ] - [ -0.0004709900000000, -0.0023709900000000, 0.0012511700000000 ] - [ 0.0015593400000000, -0.0008348400000000, 0.0022919100000000 ] - [ 0.0011499300000000, 0.0000000000000000, 0.0020784600000000 ] - [ 0.0015593400000000, 0.0008348400000000, 0.0022919100000000 ] - [ 0.0002958600000000, 0.0000489500000000, -0.0002469200000000 ] - [ 0.0006822700000000, 0.0000000000000000, -0.0003272400000000 ] - [ 0.0002958600000000, -0.0000489500000000, -0.0002469200000000 ] - [ -0.0023771300000000, 0.0000000000000000, 0.0033080400000000 ] - [ -0.0003937500000000, -0.0000148400000000, 0.0008035700000000 ] - [ -0.0003937500000000, 0.0000148400000000, 0.0008035700000000 ] - [ -0.0070534800000000, 0.0033478200000000, 0.0015009900000000 ] - [ -0.0006722800000000, 0.0000000000000000, 0.0003023100000000 ] - [ -0.0070534800000000, -0.0033478200000000, 0.0015009900000000 ] - [ 0.0007331500000000, 0.0000000000000000, -0.0027321500000000 ] - [ -0.0001785600000000, -0.0002686600000000, -0.0020108400000000 ] - [ -0.0001785600000000, 0.0002686600000000, -0.0020108400000000 ] - [ -0.0006806200000000, 0.0000305100000000, -0.0000029200000000 ] - [ -0.0008805200000000, 0.0000000000000000, 0.0001144700000000 ] - [ -0.0006806200000000, -0.0000305100000000, -0.0000029200000000 ] - [ 0.0021450700000000, 0.0000000000000000, -0.0020526700000000 ] - [ 0.0009068200000000, 0.0031063200000000, -0.0028806100000000 ] - [ 0.0009068200000000, -0.0031063200000000, -0.0028806100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002010000000000, -0.0029636500000000, 0.0001289700000000 ] - [ -0.0005388600000000, 0.0015503000000000, 0.0013884900000000 ] - [ 0.0001371500000000, 0.0015518300000000, -0.0011280500000000 ] - [ -0.0075655300000000, 0.0002312000000000, 0.0000642300000000 ] - [ -0.0001171100000000, 0.0024453000000000, 0.0002300200000000 ] - [ 0.0072991200000000, 0.0002735200000000, 0.0003913500000000 ] - [ 0.0001271700000000, -0.0012981900000000, -0.0002287900000000 ] - [ -0.0003252300000000, 0.0006843700000000, -0.0004609500000000 ] - [ 0.0005495600000000, 0.0006881300000000, -0.0000052400000000 ] - [ 0.0002349500000000, -0.0002304200000000, -0.0001433600000000 ] - [ 0.0002010000000000, 0.0004535900000000, -0.0001273000000000 ] - [ 0.0001682300000000, -0.0002295100000000, -0.0001114700000000 ] - [ -0.0004940300000000, -0.1344964500000000, 0.0013254900000000 ] - [ -0.0003281200000000, 0.0424923500000000, -0.0001370800000000 ] - [ 0.0005353000000000, 0.0420938600000000, 0.0009809500000000 ] - [ 0.0005101600000000, -0.0028578900000000, -0.0001155300000000 ] - [ 0.0006047400000000, 0.0014311700000000, -0.0004939700000000 ] - [ 0.0004160200000000, 0.0014332800000000, 0.0002634900000000 ] - [ -0.0031879700000000, -0.0024533200000000, -0.0234890800000000 ] - [ 0.0000615400000000, 0.0072112400000000, 0.0008991200000000 ] - [ 0.0032459000000000, -0.0023626200000000, 0.0252479400000000 ] - [ 0.0003553300000000, -0.0005407400000000, -0.0014876600000000 ] - [ 0.0005125300000000, 0.0010912000000000, -0.0004373500000000 ] - [ 0.0006654700000000, -0.0005344800000000, 0.0006212400000000 ] - [ -0.0004558200000000, -0.0009930400000000, 0.0019837100000000 ] - [ 0.0005064100000000, 0.0019792600000000, 0.0000583000000000 ] - [ 0.0014694400000000, -0.0009867800000000, -0.0018766400000000 ] - [ -0.0005012300000000, -0.0030304100000000, -0.0000146000000000 ] - [ -0.0007944900000000, 0.0015428300000000, -0.0020406600000000 ] - [ -0.0002194000000000, 0.0015561400000000, 0.0019270500000000 ] - [ -0.0005109100000000, -0.0012102800000000, 0.0004405200000000 ] - [ -0.0002387900000000, 0.0006031000000000, 0.0007911200000000 ] - [ -0.0007846200000000, 0.0006062400000000, 0.0000895300000000 ] - [ -0.0000611600000000, -0.0096030500000000, -0.0009548500000000 ] - [ 0.0031366600000000, 0.0046322500000000, 0.0013454400000000 ] - [ -0.0032311900000000, 0.0046355100000000, -0.0031748100000000 ] - [ 0.0019171000000000, -0.0011405400000000, 0.0039210900000000 ] - [ -0.0005074400000000, 0.0023654300000000, 0.0001236200000000 ] - [ -0.0029317100000000, -0.0011335300000000, -0.0036727600000000 ] - [ 0.0202681300000000, -0.0015490800000000, 0.0016864700000000 ] - [ -0.0000806400000000, 0.0067462900000000, -0.0004432400000000 ] - [ -0.0203757800000000, -0.0014866000000000, -0.0025628800000000 ] - [ 0.0118834000000000, 0.0006416100000000, 0.0216085900000000 ] - [ -0.0000481200000000, -0.0003861100000000, -0.0001257200000000 ] - [ -0.0119849800000000, 0.0006201900000000, -0.0218226700000000 ] - [ -0.0004926400000000, 0.0001249900000000, 0.0002673800000000 ] - [ -0.0005821900000000, -0.0000636000000000, 0.0006283900000000 ] - [ -0.0004025900000000, -0.0000644200000000, -0.0000935200000000 ] - [ -0.0006516200000000, 0.0000484600000000, 0.0023127600000000 ] - [ 0.0001149800000000, -0.0000913200000000, 0.0003019700000000 ] - [ 0.0008814900000000, 0.0000508000000000, -0.0017062100000000 ] - [ -0.0000349600000000, -0.0025790800000000, -0.0002258100000000 ] - [ -0.0025645300000000, 0.0003193200000000, -0.0036050300000000 ] - [ 0.0023236600000000, 0.0003221300000000, 0.0029652400000000 ] - [ 0.0004385400000000, 0.0001545900000000, 0.0000095700000000 ] - [ 0.0004919300000000, -0.0002878700000000, -0.0002627900000000 ] - [ 0.0005476100000000, 0.0001533200000000, -0.0005319500000000 ] - [ 0.0000605100000000, 0.0006388000000000, 0.0001461800000000 ] - [ 0.0020286200000000, -0.0002967600000000, -0.0002746300000000 ] - [ -0.0019138800000000, -0.0003042100000000, 0.0005639400000000 ] - [ -0.0090716000000000, 0.0012948700000000, -0.0053922400000000 ] - [ -0.0007538400000000, -0.0103557700000000, -0.0007027700000000 ] - [ 0.0074009500000000, 0.0008505000000000, 0.0043443000000000 ] - [ 0.0012649200000000, 0.0009766900000000, -0.0000199600000000 ] - [ 0.0011268600000000, -0.0004774700000000, -0.0004020600000000 ] - [ 0.0014024500000000, -0.0004784500000000, 0.0003605500000000 ] - [ -0.0005743300000000, 0.0011958800000000, -0.0106444600000000 ] - [ 0.0000987100000000, -0.0004383700000000, 0.0004837800000000 ] - [ 0.0007679400000000, 0.0012091800000000, 0.0116037600000000 ] - [ -0.0002432100000000, 0.0060185100000000, 0.0001912300000000 ] - [ -0.0008058400000000, -0.0035282400000000, 0.0021024700000000 ] - [ 0.0003336900000000, -0.0035635000000000, -0.0017295900000000 ] - [ -0.0021641200000000, 0.0005336800000000, 0.0031418800000000 ] - [ 0.0002145800000000, -0.0011510500000000, -0.0000084700000000 ] - [ 0.0025943400000000, 0.0005328700000000, -0.0031578300000000 ] - [ -0.0005277700000000, 0.0004774200000000, 0.0005916900000000 ] - [ -0.0002847900000000, -0.0002341500000000, 0.0003569100000000 ] - [ -0.0007715500000000, -0.0002363000000000, 0.0008262600000000 ] - [ -0.0005499900000000, 0.0010927700000000, -0.0015583900000000 ] - [ -0.0002465800000000, -0.0005431500000000, -0.0018111000000000 ] - [ -0.0008537200000000, -0.0005450700000000, -0.0013063700000000 ] - [ 0.0061828100000000, 0.0242042900000000, -0.0098987800000000 ] - [ -0.0008328900000000, -0.0123989700000000, 0.0006433500000000 ] - [ -0.0070763100000000, 0.0226249800000000, 0.0100812500000000 ] - [ 0.0012226000000000, 0.0003259700000000, -0.0021774700000000 ] - [ 0.0001722300000000, -0.0006086700000000, -0.0005079500000000 ] - [ -0.0008834700000000, 0.0003194800000000, 0.0011691400000000 ] - [ -0.0045384000000000, 0.0002612200000000, -0.0010944800000000 ] - [ -0.0002995700000000, -0.0007177800000000, 0.0004969200000000 ] - [ 0.0039160300000000, 0.0002498100000000, 0.0020874300000000 ] - [ 0.0005436600000000, 0.0119349300000000, 0.0000446200000000 ] - [ 0.0013940500000000, -0.0033806400000000, 0.0036310200000000 ] - [ -0.0003392500000000, -0.0033813100000000, -0.0033357800000000 ] - [ 0.0039997500000000, 0.0007107900000000, 0.0021094000000000 ] - [ 0.0003455200000000, -0.0014723200000000, 0.0003841500000000 ] - [ -0.0033060700000000, 0.0006878900000000, -0.0013534500000000 ] - [ 0.0001209300000000, 0.0003916400000000, -0.0002301900000000 ] - [ -0.0004519100000000, -0.0007942900000000, 0.0000087200000000 ] - [ -0.0010276300000000, 0.0003886400000000, 0.0002471400000000 ] - [ 0.0004576500000000, 0.0009198100000000, -0.0000202000000000 ] - [ -0.0000439500000000, -0.0004832000000000, 0.0003288800000000 ] - [ 0.0009469000000000, -0.0004864700000000, -0.0003528400000000 ] - [ -0.0003382600000000, 0.0010506700000000, -0.0003822000000000 ] - [ -0.0012737600000000, -0.0005145600000000, -0.0009709700000000 ] - [ 0.0005863800000000, -0.0005176900000000, 0.0002022700000000 ] - [ 0.0006563100000000, 0.0013927700000000, -0.0027435300000000 ] - [ -0.0005337300000000, -0.0026926700000000, -0.0001360400000000 ] - [ -0.0017228700000000, 0.0013788400000000, 0.0024800400000000 ] - [ 0.0002897400000000, 0.0147779500000000, -0.0005218900000000 ] - [ 0.0023522900000000, -0.0025514000000000, 0.0022115500000000 ] - [ -0.0017407400000000, -0.0025444900000000, -0.0031852000000000 ] - [ -0.0002168700000000, -0.0010734700000000, 0.0004580000000000 ] - [ 0.0018021500000000, -0.0000699900000000, 0.0028862100000000 ] - [ -0.0021332900000000, -0.0000761900000000, -0.0018592300000000 ] - [ 0.0008097700000000, 0.0093963700000000, -0.0006172900000000 ] - [ -0.0030502100000000, -0.0032989300000000, -0.0013875400000000 ] - [ 0.0046551500000000, -0.0032976900000000, 0.0001721600000000 ] - [ 0.0005098000000000, 0.0005182100000000, 0.0012797600000000 ] - [ 0.0005495900000000, -0.0009487400000000, 0.0015549300000000 ] - [ 0.0005858600000000, 0.0005107300000000, 0.0018288300000000 ] - [ -0.0003244300000000, 0.0001813100000000, -0.0010097300000000 ] - [ 0.0005284000000000, -0.0003419200000000, -0.0005952800000000 ] - [ 0.0013822000000000, 0.0001800100000000, -0.0001817800000000 ] - [ -0.0002210000000000, 0.0022900700000000, 0.0000131300000000 ] - [ -0.0000333500000000, -0.0011425200000000, -0.0011791800000000 ] - [ -0.0004005500000000, -0.0011442200000000, 0.0011939500000000 ] - [ -0.0115005200000000, -0.0000341800000000, -0.0051065700000000 ] - [ 0.0002360300000000, -0.0020537300000000, -0.0001926900000000 ] - [ 0.0119540100000000, -0.0000509700000000, 0.0046937500000000 ] - [ -0.0000999800000000, -0.0001266900000000, -0.0004959700000000 ] - [ -0.0007781500000000, 0.0000830100000000, 0.0001589800000000 ] - [ 0.0005807700000000, 0.0000856000000000, -0.0011518200000000 ] - [ -0.0009772100000000, 0.0002661600000000, -0.0004897500000000 ] - [ -0.0012643900000000, -0.0005396600000000, 0.0000171800000000 ] - [ -0.0015530300000000, 0.0002661100000000, 0.0005244700000000 ] - [ 0.0007506000000000, 0.0023231300000000, 0.0006816300000000 ] - [ 0.0007657600000000, -0.0008985300000000, 0.0003002000000000 ] - [ 0.0007416500000000, -0.0009079900000000, 0.0010616200000000 ]- atom: 13 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0012934500000000, 0.0000000000000000, 0.0036473200000000 ] - [ -0.0007286200000000, 0.0015684100000000, 0.0014516000000000 ] - [ -0.0007286200000000, -0.0015684100000000, 0.0014516000000000 ] - [ -0.0061867500000000, 0.0036149500000000, -0.0023683000000000 ] - [ 0.0001276100000000, 0.0000000000000000, -0.0002624700000000 ] - [ -0.0061867500000000, -0.0036149500000000, -0.0023683000000000 ] - [ -0.0007159600000000, 0.0000000000000000, -0.0014709100000000 ] - [ 0.0000431900000000, -0.0002089800000000, -0.0007230600000000 ] - [ 0.0000431900000000, 0.0002089800000000, -0.0007230600000000 ] - [ -0.0000015700000000, -0.0002842900000000, 0.0002900900000000 ] - [ 0.0001122900000000, 0.0000000000000000, 0.0000704800000000 ] - [ -0.0000015700000000, 0.0002842900000000, 0.0002900900000000 ] - [ 0.0318081100000000, 0.0000000000000000, -0.0946244200000000 ] - [ 0.0080135900000000, 0.0004039700000000, -0.0151694000000000 ] - [ 0.0080135900000000, -0.0004039700000000, -0.0151694000000000 ] - [ -0.0002748200000000, 0.0000000000000000, 0.0035542900000000 ] - [ -0.0000863600000000, -0.0008571800000000, 0.0019948000000000 ] - [ -0.0000863600000000, 0.0008571800000000, 0.0019948000000000 ] - [ -0.0033599100000000, -0.0156340500000000, 0.0199706600000000 ] - [ 0.0003779600000000, 0.0000000000000000, -0.0000209400000000 ] - [ -0.0033599100000000, 0.0156340500000000, 0.0199706600000000 ] - [ 0.0009174500000000, -0.0000518800000000, 0.0027924200000000 ] - [ 0.0006206000000000, 0.0000000000000000, 0.0013410300000000 ] - [ 0.0009174500000000, 0.0000518800000000, 0.0027924200000000 ] - [ -0.0007679800000000, 0.0005646900000000, 0.0017025900000000 ] - [ 0.0003706800000000, 0.0000000000000000, 0.0006733800000000 ] - [ -0.0007679800000000, -0.0005646900000000, 0.0017025900000000 ] - [ 0.0024667200000000, 0.0000000000000000, 0.0040745500000000 ] - [ 0.0002009700000000, -0.0011948800000000, 0.0009930000000000 ] - [ 0.0002009700000000, 0.0011948800000000, 0.0009930000000000 ] - [ 0.0005900600000000, 0.0000000000000000, 0.0026418300000000 ] - [ 0.0001546900000000, 0.0002193300000000, 0.0022941100000000 ] - [ 0.0001546900000000, -0.0002193300000000, 0.0022941100000000 ] - [ 0.0099863800000000, 0.0000000000000000, -0.0012454900000000 ] - [ 0.0033152400000000, 0.0036278200000000, -0.0029371600000000 ] - [ 0.0033152400000000, -0.0036278200000000, -0.0029371600000000 ] - [ 0.0017751200000000, 0.0007913100000000, 0.0058957300000000 ] - [ -0.0007436800000000, 0.0000000000000000, 0.0017522700000000 ] - [ 0.0017751200000000, -0.0007913100000000, 0.0058957300000000 ] - [ -0.0112345400000000, -0.0027493900000000, -0.0075225300000000 ] - [ -0.0002979800000000, 0.0000000000000000, -0.0024880800000000 ] - [ -0.0112345400000000, 0.0027493900000000, -0.0075225300000000 ] - [ 0.0102448800000000, 0.0046531500000000, 0.0212976300000000 ] - [ -0.0017218600000000, 0.0000000000000000, -0.0024866900000000 ] - [ 0.0102448800000000, -0.0046531500000000, 0.0212976300000000 ] - [ -0.0013726600000000, 0.0000000000000000, 0.0029962800000000 ] - [ -0.0011881200000000, 0.0000207400000000, 0.0021966800000000 ] - [ -0.0011881200000000, -0.0000207400000000, 0.0021966800000000 ] - [ -0.0004871100000000, -0.0001294600000000, -0.0031800500000000 ] - [ 0.0008602700000000, 0.0000000000000000, -0.0009429300000000 ] - [ -0.0004871100000000, 0.0001294600000000, -0.0031800500000000 ] - [ 0.0286462600000000, 0.0000000000000000, -0.0199698300000000 ] - [ 0.0017363900000000, -0.0002744000000000, -0.0028495900000000 ] - [ 0.0017363900000000, 0.0002744000000000, -0.0028495900000000 ] - [ 0.0001749400000000, 0.0001060000000000, 0.0020045400000000 ] - [ 0.0001960200000000, 0.0000000000000000, 0.0014544200000000 ] - [ 0.0001749400000000, -0.0001060000000000, 0.0020045400000000 ] - [ -0.0067901800000000, 0.0000000000000000, 0.0003914500000000 ] - [ -0.0027097500000000, 0.0003735000000000, 0.0001526400000000 ] - [ -0.0027097500000000, -0.0003735000000000, 0.0001526400000000 ] - [ -0.0100448800000000, -0.0063315400000000, 0.0002685100000000 ] - [ -0.0016600800000000, 0.0000000000000000, 0.0039885200000000 ] - [ -0.0100448800000000, 0.0063315400000000, 0.0002685100000000 ] - [ 0.0020676100000000, 0.0000000000000000, -0.0022764200000000 ] - [ 0.0020441300000000, -0.0004510000000000, -0.0014707600000000 ] - [ 0.0020441300000000, 0.0004510000000000, -0.0014707600000000 ] - [ -0.0004111500000000, -0.0001445200000000, -0.0092103300000000 ] - [ -0.0000612100000000, 0.0000000000000000, 0.0013447500000000 ] - [ -0.0004111500000000, 0.0001445200000000, -0.0092103300000000 ] - [ 0.0038303300000000, 0.0000000000000000, -0.0039268700000000 ] - [ 0.0026332100000000, 0.0029304100000000, 0.0000063000000000 ] - [ 0.0026332100000000, -0.0029304100000000, 0.0000063000000000 ] - [ 0.0014261800000000, 0.0003201100000000, -0.0033026400000000 ] - [ -0.0000814800000000, 0.0000000000000000, -0.0006725400000000 ] - [ 0.0014261800000000, -0.0003201100000000, -0.0033026400000000 ] - [ 0.0000841000000000, 0.0000000000000000, -0.0015651300000000 ] - [ -0.0000074800000000, 0.0002452000000000, -0.0009706300000000 ] - [ -0.0000074800000000, -0.0002452000000000, -0.0009706300000000 ] - [ -0.0001109700000000, 0.0000000000000000, -0.0032981200000000 ] - [ -0.0004538500000000, -0.0003550400000000, -0.0027040700000000 ] - [ -0.0004538500000000, 0.0003550400000000, -0.0027040700000000 ] - [ -0.0118640400000000, -0.0151697800000000, 0.0242758800000000 ] - [ -0.0023213700000000, 0.0000000000000000, 0.0039958500000000 ] - [ -0.0118640400000000, 0.0151697800000000, 0.0242758800000000 ] - [ 0.0025127400000000, -0.0003971500000000, 0.0002893800000000 ] - [ 0.0002306100000000, 0.0000000000000000, -0.0001801300000000 ] - [ 0.0025127400000000, 0.0003971500000000, 0.0002893800000000 ] - [ 0.0027424900000000, 0.0000818700000000, 0.0033412500000000 ] - [ -0.0004570400000000, 0.0000000000000000, 0.0018480300000000 ] - [ 0.0027424900000000, -0.0000818700000000, 0.0033412500000000 ] - [ -0.0053483500000000, 0.0000000000000000, 0.0066032300000000 ] - [ -0.0013715200000000, 0.0028842900000000, 0.0025079300000000 ] - [ -0.0013715200000000, -0.0028842900000000, 0.0025079300000000 ] - [ -0.0017585800000000, 0.0012439000000000, -0.0026178000000000 ] - [ 0.0004951200000000, 0.0000000000000000, -0.0005460800000000 ] - [ -0.0017585800000000, -0.0012439000000000, -0.0026178000000000 ] - [ -0.0008032400000000, -0.0001473100000000, -0.0016698400000000 ] - [ -0.0007155100000000, 0.0000000000000000, -0.0011569800000000 ] - [ -0.0008032400000000, 0.0001473100000000, -0.0016698400000000 ] - [ 0.0000016500000000, 0.0000000000000000, -0.0017781300000000 ] - [ 0.0001792900000000, 0.0002606700000000, -0.0015244700000000 ] - [ 0.0001792900000000, -0.0002606700000000, -0.0015244700000000 ] - [ -0.0005673500000000, 0.0000000000000000, -0.0014993800000000 ] - [ -0.0003574000000000, -0.0001029300000000, -0.0012600900000000 ] - [ -0.0003574000000000, 0.0001029300000000, -0.0012600900000000 ] - [ -0.0010276200000000, -0.0007004600000000, 0.0026850500000000 ] - [ -0.0018245700000000, 0.0000000000000000, 0.0019585600000000 ] - [ -0.0010276200000000, 0.0007004600000000, 0.0026850500000000 ] - [ 0.0012433800000000, 0.0000000000000000, 0.0204279700000000 ] - [ -0.0005305700000000, -0.0013668500000000, 0.0020672400000000 ] - [ -0.0005305700000000, 0.0013668500000000, 0.0020672400000000 ] - [ -0.0063106700000000, 0.0000000000000000, 0.0054946500000000 ] - [ -0.0005026400000000, 0.0001427800000000, 0.0009675800000000 ] - [ -0.0005026400000000, -0.0001427800000000, 0.0009675800000000 ] - [ -0.0012533700000000, 0.0000000000000000, 0.0074604100000000 ] - [ 0.0012699300000000, 0.0010691200000000, 0.0023602400000000 ] - [ 0.0012699300000000, -0.0010691200000000, 0.0023602400000000 ] - [ -0.0000714600000000, 0.0002665500000000, 0.0000238800000000 ] - [ -0.0000031900000000, 0.0000000000000000, 0.0003037000000000 ] - [ -0.0000714600000000, -0.0002665500000000, 0.0000238800000000 ] - [ 0.0001086700000000, -0.0001204100000000, -0.0024919900000000 ] - [ 0.0008614100000000, 0.0000000000000000, -0.0019347800000000 ] - [ 0.0001086700000000, 0.0001204100000000, -0.0024919900000000 ] - [ -0.0014636900000000, 0.0000000000000000, -0.0013172200000000 ] - [ -0.0009834500000000, -0.0009967400000000, -0.0008317700000000 ] - [ -0.0009834500000000, 0.0009967400000000, -0.0008317700000000 ] - [ -0.0113326900000000, -0.0027295200000000, -0.0035099700000000 ] - [ 0.0012668000000000, 0.0000000000000000, 0.0004312300000000 ] - [ -0.0113326900000000, 0.0027295200000000, -0.0035099700000000 ] - [ 0.0019640900000000, 0.0000000000000000, -0.0028815300000000 ] - [ 0.0004018000000000, -0.0000337400000000, -0.0013085400000000 ] - [ 0.0004018000000000, 0.0000337400000000, -0.0013085400000000 ] - [ -0.0004951500000000, 0.0002121500000000, -0.0016896200000000 ] - [ -0.0006115200000000, 0.0000000000000000, -0.0009853500000000 ] - [ -0.0004951500000000, -0.0002121500000000, -0.0016896200000000 ] - [ 0.0025689600000000, 0.0000000000000000, 0.0023209400000000 ] - [ 0.0014835000000000, 0.0000990900000000, 0.0018605000000000 ] - [ 0.0014835000000000, -0.0000990900000000, 0.0018605000000000 ]- atom: 13 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0008835300000000, 0.0000000000000000, -0.0033594300000000 ] - [ 0.0003231700000000, -0.0015602300000000, -0.0011957300000000 ] - [ 0.0003231700000000, 0.0015602300000000, -0.0011957300000000 ] - [ 0.0059406800000000, -0.0036099000000000, 0.0027862400000000 ] - [ -0.0003535400000000, 0.0000000000000000, 0.0007270300000000 ] - [ 0.0059406800000000, 0.0036099000000000, 0.0027862400000000 ] - [ 0.0009458400000000, 0.0000000000000000, 0.0010216600000000 ] - [ 0.0001809600000000, 0.0002063500000000, 0.0002572600000000 ] - [ 0.0001809600000000, -0.0002063500000000, 0.0002572600000000 ] - [ 0.0004063500000000, 0.0002881000000000, -0.0005410000000000 ] - [ 0.0002879000000000, 0.0000000000000000, -0.0003250500000000 ] - [ 0.0004063500000000, -0.0002881000000000, -0.0005410000000000 ] - [ -0.0319290800000000, 0.0000000000000000, 0.0967396900000000 ] - [ -0.0077892800000000, -0.0004790600000000, 0.0160028200000000 ] - [ -0.0077892800000000, 0.0004790600000000, 0.0160028200000000 ] - [ 0.0012939000000000, 0.0000000000000000, -0.0037996200000000 ] - [ 0.0011090700000000, 0.0008627300000000, -0.0022230200000000 ] - [ 0.0011090700000000, -0.0008627300000000, -0.0022230200000000 ] - [ 0.0034988500000000, 0.0158227400000000, -0.0182389900000000 ] - [ -0.0002603500000000, 0.0000000000000000, 0.0018667800000000 ] - [ 0.0034988500000000, -0.0158227400000000, -0.0182389900000000 ] - [ 0.0001053800000000, 0.0000535600000000, -0.0036650500000000 ] - [ 0.0004050400000000, 0.0000000000000000, -0.0022126700000000 ] - [ 0.0001053800000000, -0.0000535600000000, -0.0036650500000000 ] - [ 0.0017741200000000, -0.0005633800000000, -0.0016007200000000 ] - [ 0.0006438700000000, 0.0000000000000000, -0.0005694000000000 ] - [ 0.0017741200000000, 0.0005633800000000, -0.0016007200000000 ] - [ -0.0034762600000000, 0.0000000000000000, -0.0041783000000000 ] - [ -0.0012169000000000, 0.0011965900000000, -0.0010943400000000 ] - [ -0.0012169000000000, -0.0011965900000000, -0.0010943400000000 ] - [ -0.0016136200000000, 0.0000000000000000, -0.0017678900000000 ] - [ -0.0011785900000000, -0.0002182800000000, -0.0014172000000000 ] - [ -0.0011785900000000, 0.0002182800000000, -0.0014172000000000 ] - [ -0.0100480300000000, 0.0000000000000000, -0.0007025500000000 ] - [ -0.0034047700000000, -0.0036180400000000, 0.0010703600000000 ] - [ -0.0034047700000000, 0.0036180400000000, 0.0010703600000000 ] - [ -0.0027803100000000, -0.0007900500000000, -0.0056360200000000 ] - [ -0.0002761800000000, 0.0000000000000000, -0.0015149200000000 ] - [ -0.0027803100000000, 0.0007900500000000, -0.0056360200000000 ] - [ 0.0109834700000000, 0.0026883300000000, 0.0066982600000000 ] - [ 0.0001097300000000, 0.0000000000000000, 0.0016086700000000 ] - [ 0.0109834700000000, -0.0026883300000000, 0.0066982600000000 ] - [ -0.0103046400000000, -0.0045280200000000, -0.0214163700000000 ] - [ 0.0015972900000000, 0.0000000000000000, 0.0021857100000000 ] - [ -0.0103046400000000, 0.0045280200000000, -0.0214163700000000 ] - [ 0.0003879200000000, 0.0000000000000000, -0.0024607100000000 ] - [ 0.0002027800000000, -0.0000202800000000, -0.0016641000000000 ] - [ 0.0002027800000000, 0.0000202800000000, -0.0016641000000000 ] - [ 0.0006994100000000, 0.0001271700000000, 0.0037644300000000 ] - [ -0.0006298100000000, 0.0000000000000000, 0.0015393200000000 ] - [ 0.0006994100000000, -0.0001271700000000, 0.0037644300000000 ] - [ -0.0289562800000000, 0.0000000000000000, 0.0195454300000000 ] - [ -0.0019648600000000, 0.0002706000000000, 0.0022511200000000 ] - [ -0.0019648600000000, -0.0002706000000000, 0.0022511200000000 ] - [ 0.0008096900000000, -0.0001059700000000, -0.0025312300000000 ] - [ 0.0007878200000000, 0.0000000000000000, -0.0019808000000000 ] - [ 0.0008096900000000, 0.0001059700000000, -0.0025312300000000 ] - [ 0.0069916500000000, 0.0000000000000000, -0.0000716600000000 ] - [ 0.0028388900000000, -0.0003715200000000, 0.0001531200000000 ] - [ 0.0028388900000000, 0.0003715200000000, 0.0001531200000000 ] - [ 0.0083671300000000, 0.0066004100000000, -0.0014174100000000 ] - [ 0.0001541300000000, 0.0000000000000000, -0.0053410600000000 ] - [ 0.0083671300000000, -0.0066004100000000, -0.0014174100000000 ] - [ 0.0004587400000000, 0.0000000000000000, 0.0022341000000000 ] - [ 0.0004839000000000, 0.0004491800000000, 0.0014296500000000 ] - [ 0.0004839000000000, -0.0004491800000000, 0.0014296500000000 ] - [ 0.0006073000000000, 0.0001211700000000, 0.0101621100000000 ] - [ 0.0002577200000000, 0.0000000000000000, -0.0003490900000000 ] - [ 0.0006073000000000, -0.0001211700000000, 0.0101621100000000 ] - [ -0.0043708600000000, 0.0000000000000000, 0.0043515800000000 ] - [ -0.0031311800000000, -0.0029238400000000, 0.0003526900000000 ] - [ -0.0031311800000000, 0.0029238400000000, 0.0003526900000000 ] - [ -0.0009916000000000, -0.0003256600000000, 0.0032855100000000 ] - [ 0.0005153100000000, 0.0000000000000000, 0.0006466500000000 ] - [ -0.0009916000000000, 0.0003256600000000, 0.0032855100000000 ] - [ -0.0011390200000000, 0.0000000000000000, 0.0027481600000000 ] - [ -0.0010505300000000, -0.0002456400000000, 0.0021551600000000 ] - [ -0.0010505300000000, 0.0002456400000000, 0.0021551600000000 ] - [ -0.0009833500000000, 0.0000000000000000, 0.0001770800000000 ] - [ -0.0006443300000000, 0.0003540200000000, -0.0004130700000000 ] - [ -0.0006443300000000, -0.0003540200000000, -0.0004130700000000 ] - [ 0.0106110900000000, 0.0160728500000000, -0.0235295700000000 ] - [ 0.0006704900000000, 0.0000000000000000, -0.0027567900000000 ] - [ 0.0106110900000000, -0.0160728500000000, -0.0235295700000000 ] - [ -0.0021513800000000, 0.0003948800000000, -0.0012826900000000 ] - [ 0.0001143100000000, 0.0000000000000000, -0.0008225900000000 ] - [ -0.0021513800000000, -0.0003948800000000, -0.0012826900000000 ] - [ -0.0033252500000000, -0.0000770200000000, -0.0023354900000000 ] - [ -0.0001397300000000, 0.0000000000000000, -0.0008491400000000 ] - [ -0.0033252500000000, 0.0000770200000000, -0.0023354900000000 ] - [ 0.0061569200000000, 0.0000000000000000, -0.0071896700000000 ] - [ 0.0024312800000000, -0.0028861400000000, -0.0022486700000000 ] - [ 0.0024312800000000, 0.0028861400000000, -0.0022486700000000 ] - [ 0.0024405800000000, -0.0012402200000000, 0.0033818900000000 ] - [ 0.0001879000000000, 0.0000000000000000, 0.0013075900000000 ] - [ 0.0024405800000000, 0.0012402200000000, 0.0033818900000000 ] - [ -0.0001024800000000, 0.0001469800000000, 0.0016906000000000 ] - [ -0.0001914900000000, 0.0000000000000000, 0.0011772800000000 ] - [ -0.0001024800000000, -0.0001469800000000, 0.0016906000000000 ] - [ 0.0009047500000000, 0.0000000000000000, 0.0017560400000000 ] - [ 0.0007270200000000, -0.0002618300000000, 0.0015004000000000 ] - [ 0.0007270200000000, 0.0002618300000000, 0.0015004000000000 ] - [ -0.0001089100000000, 0.0000000000000000, 0.0007384400000000 ] - [ -0.0003259300000000, 0.0001039000000000, 0.0004958500000000 ] - [ -0.0003259300000000, -0.0001039000000000, 0.0004958500000000 ] - [ -0.0000294400000000, 0.0007151000000000, -0.0029306000000000 ] - [ 0.0007546600000000, 0.0000000000000000, -0.0022165000000000 ] - [ -0.0000294400000000, -0.0007151000000000, -0.0029306000000000 ] - [ -0.0004802400000000, 0.0000000000000000, -0.0213947300000000 ] - [ 0.0011276200000000, 0.0013748300000000, -0.0030615000000000 ] - [ 0.0011276200000000, -0.0013748300000000, -0.0030615000000000 ] - [ 0.0059838400000000, 0.0000000000000000, -0.0045027500000000 ] - [ 0.0001578500000000, -0.0001426600000000, 0.0000363000000000 ] - [ 0.0001578500000000, 0.0001426600000000, 0.0000363000000000 ] - [ 0.0029501000000000, 0.0000000000000000, -0.0087035900000000 ] - [ 0.0003621000000000, -0.0010605900000000, -0.0035624300000000 ] - [ 0.0003621000000000, 0.0010605900000000, -0.0035624300000000 ] - [ 0.0011697300000000, -0.0002672200000000, 0.0030893700000000 ] - [ 0.0011029900000000, 0.0000000000000000, 0.0028095300000000 ] - [ 0.0011697300000000, 0.0002672200000000, 0.0030893700000000 ] - [ 0.0009470800000000, 0.0001205300000000, 0.0013025100000000 ] - [ 0.0001976400000000, 0.0000000000000000, 0.0007457200000000 ] - [ 0.0009470800000000, -0.0001205300000000, 0.0013025100000000 ] - [ 0.0010172000000000, 0.0000000000000000, 0.0013465300000000 ] - [ 0.0005459600000000, 0.0009928800000000, 0.0008528000000000 ] - [ 0.0005459600000000, -0.0009928800000000, 0.0008528000000000 ] - [ 0.0117343300000000, 0.0027125200000000, 0.0031186600000000 ] - [ -0.0007776600000000, 0.0000000000000000, -0.0008057500000000 ] - [ 0.0117343300000000, -0.0027125200000000, 0.0031186600000000 ] - [ -0.0021884800000000, 0.0000000000000000, 0.0019004100000000 ] - [ -0.0005978200000000, 0.0000301600000000, 0.0003065500000000 ] - [ -0.0005978200000000, -0.0000301600000000, 0.0003065500000000 ] - [ -0.0020329600000000, -0.0002141700000000, 0.0017243800000000 ] - [ -0.0019172900000000, 0.0000000000000000, 0.0010205300000000 ] - [ -0.0020329600000000, 0.0002141700000000, 0.0017243800000000 ] - [ -0.0010879200000000, 0.0000000000000000, -0.0010001400000000 ] - [ 0.0000199400000000, -0.0000841700000000, -0.0005224100000000 ] - [ 0.0000199400000000, 0.0000841700000000, -0.0005224100000000 ]- atom: 16 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0011490400000000, 0.0000000000000000, 0.0004833600000000 ] - [ -0.0005183300000000, 0.0001416800000000, 0.0003149300000000 ] - [ -0.0005183300000000, -0.0001416800000000, 0.0003149300000000 ] - [ -0.0001323700000000, -0.0000137900000000, 0.0002687900000000 ] - [ -0.0001154900000000, 0.0000000000000000, 0.0002506800000000 ] - [ -0.0001323700000000, 0.0000137900000000, 0.0002687900000000 ] - [ 0.0011459700000000, 0.0000000000000000, 0.0006463400000000 ] - [ 0.0002760600000000, 0.0001890500000000, -0.0001443700000000 ] - [ 0.0002760600000000, -0.0001890500000000, -0.0001443700000000 ] - [ 0.0043202100000000, 0.0085677100000000, 0.0053534900000000 ] - [ 0.0001832000000000, 0.0000000000000000, -0.0005317500000000 ] - [ 0.0043202100000000, -0.0085677100000000, 0.0053534900000000 ] - [ -0.0003486000000000, 0.0000000000000000, -0.0004394200000000 ] - [ -0.0002900000000000, -0.0000932000000000, -0.0002493700000000 ] - [ -0.0002900000000000, 0.0000932000000000, -0.0002493700000000 ] - [ -0.1087509200000000, 0.0000000000000000, -0.0152306600000000 ] - [ -0.0166638900000000, -0.0011582500000000, 0.0031516700000000 ] - [ -0.0166638900000000, 0.0011582500000000, 0.0031516700000000 ] - [ 0.0019538900000000, -0.0004028100000000, -0.0087839000000000 ] - [ 0.0004559200000000, 0.0000000000000000, 0.0003427500000000 ] - [ 0.0019538900000000, 0.0004028100000000, -0.0087839000000000 ] - [ 0.0210467600000000, -0.0124060800000000, 0.0006601100000000 ] - [ 0.0009093100000000, 0.0000000000000000, -0.0009297600000000 ] - [ 0.0210467600000000, 0.0124060800000000, 0.0006601100000000 ] - [ 0.0018869800000000, -0.0013893200000000, 0.0024224800000000 ] - [ 0.0007737000000000, 0.0000000000000000, 0.0006203300000000 ] - [ 0.0018869800000000, 0.0013893200000000, 0.0024224800000000 ] - [ 0.0079853100000000, 0.0000000000000000, 0.0002033600000000 ] - [ 0.0026305400000000, 0.0018908800000000, -0.0001965500000000 ] - [ 0.0026305400000000, -0.0018908800000000, -0.0001965500000000 ] - [ 0.0073052800000000, 0.0000000000000000, -0.0001304500000000 ] - [ 0.0030164600000000, 0.0011987600000000, 0.0006723000000000 ] - [ 0.0030164600000000, -0.0011987600000000, 0.0006723000000000 ] - [ 0.0007093500000000, 0.0000000000000000, -0.0010995700000000 ] - [ 0.0005776700000000, 0.0001498100000000, -0.0006049600000000 ] - [ 0.0005776700000000, -0.0001498100000000, -0.0006049600000000 ] - [ -0.0027493900000000, 0.0018643700000000, -0.0097084800000000 ] - [ -0.0019074900000000, 0.0000000000000000, 0.0011521200000000 ] - [ -0.0027493900000000, -0.0018643700000000, -0.0097084800000000 ] - [ -0.0019306500000000, 0.0024643200000000, 0.0015282400000000 ] - [ -0.0002575300000000, 0.0000000000000000, -0.0006973300000000 ] - [ -0.0019306500000000, -0.0024643200000000, 0.0015282400000000 ] - [ 0.0001265300000000, 0.0000248700000000, -0.0010315300000000 ] - [ -0.0005510800000000, 0.0000000000000000, -0.0001386300000000 ] - [ 0.0001265300000000, -0.0000248700000000, -0.0010315300000000 ] - [ -0.0156262700000000, 0.0000000000000000, 0.0233969000000000 ] - [ -0.0021024600000000, -0.0003652100000000, 0.0021685600000000 ] - [ -0.0021024600000000, 0.0003652100000000, 0.0021685600000000 ] - [ 0.0009872300000000, -0.0000395700000000, 0.0010412300000000 ] - [ 0.0005912400000000, 0.0000000000000000, 0.0005521200000000 ] - [ 0.0009872300000000, 0.0000395700000000, 0.0010412300000000 ] - [ 0.0018081200000000, 0.0000000000000000, -0.0002351600000000 ] - [ 0.0006714400000000, 0.0000712900000000, -0.0004162900000000 ] - [ 0.0006714400000000, -0.0000712900000000, -0.0004162900000000 ] - [ 0.0219503500000000, 0.0009496600000000, -0.0011729400000000 ] - [ -0.0012372800000000, 0.0000000000000000, -0.0004306400000000 ] - [ 0.0219503500000000, -0.0009496600000000, -0.0011729400000000 ] - [ -0.0195671700000000, 0.0000000000000000, 0.0238794200000000 ] - [ -0.0023713700000000, 0.0002073500000000, 0.0005980800000000 ] - [ -0.0023713700000000, -0.0002073500000000, 0.0005980800000000 ] - [ -0.0006596200000000, 0.0000528000000000, 0.0000931600000000 ] - [ -0.0006195100000000, 0.0000000000000000, -0.0005423400000000 ] - [ -0.0006596200000000, -0.0000528000000000, 0.0000931600000000 ] - [ 0.0138801300000000, 0.0000000000000000, -0.0028542800000000 ] - [ 0.0034585000000000, -0.0008757500000000, -0.0013422100000000 ] - [ 0.0034585000000000, 0.0008757500000000, -0.0013422100000000 ] - [ 0.0015418200000000, 0.0000775600000000, 0.0022204200000000 ] - [ 0.0003154800000000, 0.0000000000000000, 0.0003001100000000 ] - [ 0.0015418200000000, -0.0000775600000000, 0.0022204200000000 ] - [ 0.0127012400000000, 0.0000000000000000, 0.0000238700000000 ] - [ 0.0013217000000000, 0.0010196500000000, 0.0012804300000000 ] - [ 0.0013217000000000, -0.0010196500000000, 0.0012804300000000 ] - [ 0.0207744300000000, -0.0047468300000000, -0.0066678900000000 ] - [ 0.0012401900000000, 0.0000000000000000, -0.0000597500000000 ] - [ 0.0207744300000000, 0.0047468300000000, -0.0066678900000000 ] - [ 0.0116239600000000, 0.0000000000000000, 0.0004474200000000 ] - [ 0.0008530400000000, 0.0019761800000000, -0.0005906800000000 ] - [ 0.0008530400000000, -0.0019761800000000, -0.0005906800000000 ] - [ 0.0000986500000000, 0.0000000000000000, -0.0103530800000000 ] - [ -0.0005290200000000, 0.0001758200000000, -0.0022560400000000 ] - [ -0.0005290200000000, -0.0001758200000000, -0.0022560400000000 ] - [ 0.0002279300000000, -0.0001578100000000, 0.0025786800000000 ] - [ -0.0006163900000000, 0.0000000000000000, 0.0011562600000000 ] - [ 0.0002279300000000, 0.0001578100000000, 0.0025786800000000 ] - [ -0.0003088200000000, -0.0000133100000000, -0.0015335300000000 ] - [ -0.0000510000000000, 0.0000000000000000, -0.0009246100000000 ] - [ -0.0003088200000000, 0.0000133100000000, -0.0015335300000000 ] - [ -0.0005445800000000, -0.0002548700000000, -0.0002112100000000 ] - [ -0.0004236500000000, 0.0000000000000000, 0.0003263300000000 ] - [ -0.0005445800000000, 0.0002548700000000, -0.0002112100000000 ] - [ -0.0008540700000000, 0.0000000000000000, 0.0013580600000000 ] - [ -0.0000688700000000, 0.0005961300000000, 0.0006537500000000 ] - [ -0.0000688700000000, -0.0005961300000000, 0.0006537500000000 ] - [ -0.0032985300000000, -0.0010264200000000, 0.0026541700000000 ] - [ -0.0011973600000000, 0.0000000000000000, 0.0013027300000000 ] - [ -0.0032985300000000, 0.0010264200000000, 0.0026541700000000 ] - [ -0.0039013200000000, 0.0000583100000000, -0.0026599000000000 ] - [ -0.0014563000000000, 0.0000000000000000, -0.0006991300000000 ] - [ -0.0039013200000000, -0.0000583100000000, -0.0026599000000000 ] - [ -0.0042357200000000, 0.0000000000000000, 0.0009782800000000 ] - [ -0.0030153000000000, 0.0032480000000000, -0.0000911000000000 ] - [ -0.0030153000000000, -0.0032480000000000, -0.0000911000000000 ] - [ -0.0015729500000000, 0.0000000000000000, -0.0003114600000000 ] - [ -0.0012616700000000, 0.0007402500000000, -0.0004307500000000 ] - [ -0.0012616700000000, -0.0007402500000000, -0.0004307500000000 ] - [ -0.0009950600000000, -0.0000428200000000, -0.0005492800000000 ] - [ -0.0009123200000000, 0.0000000000000000, -0.0002436800000000 ] - [ -0.0009950600000000, 0.0000428200000000, -0.0005492800000000 ] - [ -0.0000212600000000, 0.0000000000000000, -0.0002839100000000 ] - [ 0.0002300300000000, -0.0000532400000000, -0.0002946600000000 ] - [ 0.0002300300000000, 0.0000532400000000, -0.0002946600000000 ] - [ -0.0012607100000000, 0.0000000000000000, -0.0000255600000000 ] - [ -0.0004638100000000, 0.0000203400000000, 0.0003806200000000 ] - [ -0.0004638100000000, -0.0000203400000000, 0.0003806200000000 ] - [ 0.0015030800000000, 0.0000000000000000, -0.0009956900000000 ] - [ 0.0015279400000000, -0.0010249200000000, -0.0012365900000000 ] - [ 0.0015279400000000, 0.0010249200000000, -0.0012365900000000 ] - [ -0.0078333900000000, -0.0011977300000000, -0.0030129100000000 ] - [ 0.0007597100000000, 0.0000000000000000, 0.0021012400000000 ] - [ -0.0078333900000000, 0.0011977300000000, -0.0030129100000000 ] - [ -0.0068508200000000, 0.0003713100000000, 0.0060366800000000 ] - [ 0.0007191300000000, 0.0000000000000000, -0.0012539200000000 ] - [ -0.0068508200000000, -0.0003713100000000, 0.0060366800000000 ] - [ -0.0015853400000000, 0.0000000000000000, 0.0005543700000000 ] - [ -0.0010032600000000, -0.0017615800000000, 0.0000431000000000 ] - [ -0.0010032600000000, 0.0017615800000000, 0.0000431000000000 ] - [ 0.0002102500000000, -0.0001235400000000, 0.0000098500000000 ] - [ 0.0005578400000000, 0.0000000000000000, -0.0002018000000000 ] - [ 0.0002102500000000, 0.0001235400000000, 0.0000098500000000 ] - [ 0.0231362400000000, 0.0000000000000000, 0.0006872400000000 ] - [ 0.0021332000000000, -0.0019659200000000, -0.0006263100000000 ] - [ 0.0021332000000000, 0.0019659200000000, -0.0006263100000000 ] - [ -0.0006175100000000, -0.0060771200000000, 0.0038171300000000 ] - [ 0.0041085800000000, 0.0000000000000000, -0.0005224100000000 ] - [ -0.0006175100000000, 0.0060771200000000, 0.0038171300000000 ] - [ 0.0017700400000000, 0.0000000000000000, -0.0117291600000000 ] - [ 0.0014049700000000, -0.0004687700000000, 0.0009140200000000 ] - [ 0.0014049700000000, 0.0004687700000000, 0.0009140200000000 ]- atom: 16 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0007454400000000, 0.0000000000000000, -0.0002277800000000 ] - [ 0.0001102600000000, -0.0001415400000000, -0.0000732200000000 ] - [ 0.0001102600000000, 0.0001415400000000, -0.0000732200000000 ] - [ -0.0000920200000000, 0.0000132700000000, 0.0001922000000000 ] - [ -0.0001103500000000, 0.0000000000000000, 0.0002181100000000 ] - [ -0.0000920200000000, -0.0000132700000000, 0.0001922000000000 ] - [ -0.0009257300000000, 0.0000000000000000, -0.0011188600000000 ] - [ -0.0000509300000000, -0.0001898800000000, -0.0003174700000000 ] - [ -0.0000509300000000, 0.0001898800000000, -0.0003174700000000 ] - [ -0.0039132300000000, -0.0085231800000000, -0.0055152900000000 ] - [ 0.0002204200000000, 0.0000000000000000, 0.0002899700000000 ] - [ -0.0039132300000000, 0.0085231800000000, -0.0055152900000000 ] - [ 0.0005444400000000, 0.0000000000000000, 0.0012963600000000 ] - [ 0.0004854100000000, 0.0000865100000000, 0.0011140500000000 ] - [ 0.0004854100000000, -0.0000865100000000, 0.0011140500000000 ] - [ 0.1102731300000000, 0.0000000000000000, 0.0142257200000000 ] - [ 0.0175981600000000, 0.0010944000000000, -0.0033402800000000 ] - [ 0.0175981600000000, -0.0010944000000000, -0.0033402800000000 ] - [ -0.0018072600000000, 0.0004121400000000, 0.0105961300000000 ] - [ -0.0003290600000000, 0.0000000000000000, 0.0015114100000000 ] - [ -0.0018072600000000, -0.0004121400000000, 0.0105961300000000 ] - [ -0.0201320400000000, 0.0125466800000000, -0.0015162900000000 ] - [ 0.0001403400000000, 0.0000000000000000, 0.0000633100000000 ] - [ -0.0201320400000000, -0.0125466800000000, -0.0015162900000000 ] - [ -0.0008703100000000, 0.0013919400000000, -0.0023303700000000 ] - [ 0.0002443700000000, 0.0000000000000000, -0.0005232700000000 ] - [ -0.0008703100000000, -0.0013919400000000, -0.0023303700000000 ] - [ -0.0089827900000000, 0.0000000000000000, -0.0002715800000000 ] - [ -0.0036342400000000, -0.0018779300000000, 0.0001144900000000 ] - [ -0.0036342400000000, 0.0018779300000000, 0.0001144900000000 ] - [ -0.0083118000000000, 0.0000000000000000, 0.0009840900000000 ] - [ -0.0040354900000000, -0.0011878100000000, 0.0001858900000000 ] - [ -0.0040354900000000, 0.0011878100000000, 0.0001858900000000 ] - [ -0.0008227700000000, 0.0000000000000000, -0.0007676000000000 ] - [ -0.0006916400000000, -0.0001504100000000, -0.0012572500000000 ] - [ -0.0006916400000000, 0.0001504100000000, -0.0012572500000000 ] - [ 0.0016801700000000, -0.0018778200000000, 0.0098911100000000 ] - [ 0.0008792900000000, 0.0000000000000000, -0.0009202200000000 ] - [ 0.0016801700000000, 0.0018778200000000, 0.0098911100000000 ] - [ 0.0017375300000000, -0.0024797300000000, -0.0024190200000000 ] - [ 0.0000636600000000, 0.0000000000000000, -0.0001808200000000 ] - [ 0.0017375300000000, 0.0024797300000000, -0.0024190200000000 ] - [ -0.0002523800000000, -0.0000237700000000, 0.0007299100000000 ] - [ 0.0004240000000000, 0.0000000000000000, -0.0001614400000000 ] - [ -0.0002523800000000, 0.0000237700000000, 0.0007299100000000 ] - [ 0.0148366700000000, 0.0000000000000000, -0.0229783600000000 ] - [ 0.0011237600000000, 0.0003626300000000, -0.0016420200000000 ] - [ 0.0011237600000000, -0.0003626300000000, -0.0016420200000000 ] - [ -0.0007637000000000, 0.0000396900000000, -0.0004477600000000 ] - [ -0.0003673700000000, 0.0000000000000000, 0.0000454600000000 ] - [ -0.0007637000000000, -0.0000396900000000, -0.0004477600000000 ] - [ -0.0020118600000000, 0.0000000000000000, -0.0003683900000000 ] - [ -0.0008832300000000, -0.0000695800000000, -0.0001823000000000 ] - [ -0.0008832300000000, 0.0000695800000000, -0.0001823000000000 ] - [ -0.0207993900000000, -0.0008650900000000, 0.0006275000000000 ] - [ 0.0022122000000000, 0.0000000000000000, -0.0000972400000000 ] - [ -0.0207993900000000, 0.0008650900000000, 0.0006275000000000 ] - [ 0.0197213600000000, 0.0000000000000000, -0.0236690200000000 ] - [ 0.0024827900000000, -0.0002123200000000, -0.0002990300000000 ] - [ 0.0024827900000000, 0.0002123200000000, -0.0002990300000000 ] - [ -0.0008418300000000, -0.0000513100000000, -0.0014389200000000 ] - [ -0.0008833500000000, 0.0000000000000000, -0.0008067900000000 ] - [ -0.0008418300000000, 0.0000513100000000, -0.0014389200000000 ] - [ -0.0113931100000000, 0.0000000000000000, 0.0027247000000000 ] - [ -0.0009304000000000, 0.0008768100000000, 0.0012993400000000 ] - [ -0.0009304000000000, -0.0008768100000000, 0.0012993400000000 ] - [ -0.0013363000000000, -0.0000728300000000, -0.0012194500000000 ] - [ -0.0001166400000000, 0.0000000000000000, 0.0006973200000000 ] - [ -0.0013363000000000, 0.0000728300000000, -0.0012194500000000 ] - [ -0.0132089600000000, 0.0000000000000000, 0.0003682500000000 ] - [ -0.0018033100000000, -0.0010081700000000, -0.0008918500000000 ] - [ -0.0018033100000000, 0.0010081700000000, -0.0008918500000000 ] - [ -0.0207788000000000, 0.0054743100000000, 0.0069571100000000 ] - [ -0.0007908400000000, 0.0000000000000000, 0.0000144700000000 ] - [ -0.0207788000000000, -0.0054743100000000, 0.0069571100000000 ] - [ -0.0133078900000000, 0.0000000000000000, 0.0002872100000000 ] - [ -0.0019173100000000, -0.0019772700000000, 0.0017774000000000 ] - [ -0.0019173100000000, 0.0019772700000000, 0.0017774000000000 ] - [ -0.0012243400000000, 0.0000000000000000, 0.0072674000000000 ] - [ -0.0005725600000000, -0.0001761300000000, -0.0008587600000000 ] - [ -0.0005725600000000, 0.0001761300000000, -0.0008587600000000 ] - [ -0.0018549200000000, 0.0001609700000000, -0.0013335300000000 ] - [ -0.0010180000000000, 0.0000000000000000, 0.0000628000000000 ] - [ -0.0018549200000000, -0.0001609700000000, -0.0013335300000000 ] - [ 0.0006531800000000, 0.0000133300000000, 0.0005352300000000 ] - [ 0.0003970500000000, 0.0000000000000000, -0.0000774100000000 ] - [ 0.0006531800000000, -0.0000133300000000, 0.0005352300000000 ] - [ -0.0000456100000000, 0.0002573600000000, 0.0012146000000000 ] - [ -0.0001689500000000, 0.0000000000000000, 0.0006708500000000 ] - [ -0.0000456100000000, -0.0002573600000000, 0.0012146000000000 ] - [ 0.0018917200000000, 0.0000000000000000, -0.0010771000000000 ] - [ 0.0011188300000000, -0.0005845200000000, -0.0003809100000000 ] - [ 0.0011188300000000, 0.0005845200000000, -0.0003809100000000 ] - [ 0.0039664500000000, 0.0010193700000000, -0.0019117200000000 ] - [ 0.0018641900000000, 0.0000000000000000, -0.0005446000000000 ] - [ 0.0039664500000000, -0.0010193700000000, -0.0019117200000000 ] - [ 0.0029924600000000, -0.0000603500000000, 0.0026814900000000 ] - [ 0.0005409900000000, 0.0000000000000000, 0.0007220800000000 ] - [ 0.0029924600000000, 0.0000603500000000, 0.0026814900000000 ] - [ 0.0051360700000000, 0.0000000000000000, -0.0009963300000000 ] - [ 0.0039335700000000, -0.0032677800000000, 0.0000700700000000 ] - [ 0.0039335700000000, 0.0032677800000000, 0.0000700700000000 ] - [ 0.0008882900000000, 0.0000000000000000, -0.0004431700000000 ] - [ 0.0005777200000000, -0.0007398100000000, -0.0003253000000000 ] - [ 0.0005777200000000, 0.0007398100000000, -0.0003253000000000 ] - [ -0.0000677400000000, 0.0000423200000000, 0.0002884000000000 ] - [ -0.0001489100000000, 0.0000000000000000, -0.0000204600000000 ] - [ -0.0000677400000000, -0.0000423200000000, 0.0002884000000000 ] - [ 0.0006107800000000, 0.0000000000000000, -0.0007080300000000 ] - [ 0.0003603800000000, 0.0000541600000000, -0.0007026000000000 ] - [ 0.0003603800000000, -0.0000541600000000, -0.0007026000000000 ] - [ 0.0009124000000000, 0.0000000000000000, 0.0010187500000000 ] - [ 0.0001145900000000, -0.0000196400000000, 0.0006147900000000 ] - [ 0.0001145900000000, 0.0000196400000000, 0.0006147900000000 ] - [ 0.0001317700000000, 0.0000000000000000, -0.0002123400000000 ] - [ 0.0001039800000000, 0.0010330000000000, 0.0000268600000000 ] - [ 0.0001039800000000, -0.0010330000000000, 0.0000268600000000 ] - [ 0.0088829100000000, 0.0011774000000000, 0.0060937100000000 ] - [ 0.0003447500000000, 0.0000000000000000, 0.0010138400000000 ] - [ 0.0088829100000000, -0.0011774000000000, 0.0060937100000000 ] - [ 0.0078803000000000, -0.0003859200000000, -0.0071861100000000 ] - [ 0.0003469200000000, 0.0000000000000000, 0.0000656000000000 ] - [ 0.0078803000000000, 0.0003859200000000, -0.0071861100000000 ] - [ 0.0011540600000000, 0.0000000000000000, -0.0005226100000000 ] - [ 0.0005713200000000, 0.0017589000000000, -0.0000168000000000 ] - [ 0.0005713200000000, -0.0017589000000000, -0.0000168000000000 ] - [ 0.0002814700000000, 0.0001232900000000, -0.0003846800000000 ] - [ -0.0000680100000000, 0.0000000000000000, -0.0001731900000000 ] - [ 0.0002814700000000, -0.0001232900000000, -0.0003846800000000 ] - [ -0.0228621000000000, 0.0000000000000000, -0.0009508300000000 ] - [ -0.0023178800000000, 0.0019639500000000, -0.0003754900000000 ] - [ -0.0023178800000000, -0.0019639500000000, -0.0003754900000000 ] - [ -0.0016517700000000, 0.0062842900000000, -0.0038034900000000 ] - [ -0.0066244500000000, 0.0000000000000000, 0.0005570000000000 ] - [ -0.0016517700000000, -0.0062842900000000, -0.0038034900000000 ] - [ -0.0002736600000000, 0.0000000000000000, 0.0131488800000000 ] - [ 0.0001023500000000, 0.0004708600000000, 0.0004415700000000 ] - [ 0.0001023500000000, -0.0004708600000000, 0.0004415700000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002036500000000, -0.0005115600000000, 0.0001407300000000 ] - [ -0.0001887300000000, 0.0003276400000000, -0.0004569500000000 ] - [ -0.0002157000000000, 0.0003312600000000, 0.0007039200000000 ] - [ -0.0000842100000000, -0.0001461800000000, 0.0002051100000000 ] - [ -0.0001155600000000, 0.0002939200000000, 0.0002218100000000 ] - [ -0.0001450800000000, -0.0001450300000000, 0.0002589500000000 ] - [ 0.0001131900000000, -0.0003349700000000, -0.0002277400000000 ] - [ 0.0002165500000000, 0.0001669900000000, 0.0000896300000000 ] - [ 0.0000104600000000, 0.0001680800000000, -0.0005299400000000 ] - [ 0.0063309500000000, 0.0011525400000000, 0.0064993100000000 ] - [ 0.0002054000000000, 0.0023027400000000, -0.0001244800000000 ] - [ -0.0058737700000000, 0.0011762300000000, -0.0067016200000000 ] - [ 0.0000962300000000, -0.0028578800000000, 0.0004363000000000 ] - [ 0.0000807300000000, 0.0014291700000000, 0.0013193700000000 ] - [ 0.0001132700000000, 0.0014349400000000, -0.0004419300000000 ] - [ 0.0012928400000000, -0.1204062600000000, -0.0007297800000000 ] - [ 0.0016456600000000, 0.0409243200000000, -0.0025244700000000 ] - [ -0.0006671100000000, 0.0405416500000000, 0.0022837000000000 ] - [ -0.0057160500000000, -0.0023676300000000, 0.0170359100000000 ] - [ 0.0000496500000000, 0.0046411200000000, 0.0009390900000000 ] - [ 0.0058096700000000, -0.0023537700000000, -0.0151608700000000 ] - [ -0.0163330000000000, -0.0019632800000000, -0.0089216700000000 ] - [ 0.0004976000000000, 0.0058417800000000, -0.0004418500000000 ] - [ 0.0173391700000000, -0.0019013200000000, 0.0080018500000000 ] - [ 0.0002980300000000, -0.0011295600000000, -0.0012313400000000 ] - [ 0.0005029900000000, 0.0022368000000000, 0.0000509600000000 ] - [ 0.0007314300000000, -0.0011006800000000, 0.0013477400000000 ] - [ -0.0005054800000000, -0.0072334600000000, -0.0000514800000000 ] - [ 0.0006676800000000, 0.0035223500000000, 0.0010817900000000 ] - [ -0.0016691000000000, 0.0035291000000000, -0.0011874200000000 ] - [ -0.0005066800000000, -0.0060395100000000, 0.0004328200000000 ] - [ 0.0005905800000000, 0.0029013700000000, -0.0009210900000000 ] - [ -0.0016104300000000, 0.0029061200000000, 0.0017827900000000 ] - [ -0.0000558200000000, -0.0006421600000000, -0.0009222300000000 ] - [ -0.0000335400000000, 0.0003218400000000, -0.0014185500000000 ] - [ -0.0000783200000000, 0.0003240200000000, -0.0004265600000000 ] - [ 0.0014708500000000, -0.0018943700000000, -0.0105357700000000 ] - [ -0.0005039300000000, 0.0047122000000000, 0.0001061000000000 ] - [ -0.0025386000000000, -0.0018256600000000, 0.0107439700000000 ] - [ 0.0003073500000000, -0.0011450200000000, 0.0004746600000000 ] - [ -0.0000976400000000, 0.0023650200000000, -0.0004300600000000 ] - [ -0.0004978500000000, -0.0011287800000000, -0.0013475000000000 ] - [ 0.0007987600000000, 0.0000595500000000, -0.0013298700000000 ] - [ -0.0000566000000000, -0.0000867800000000, -0.0001484200000000 ] - [ -0.0009181000000000, 0.0000582100000000, 0.0010444600000000 ] - [ -0.0004587100000000, -0.0014972500000000, 0.0003350700000000 ] - [ -0.0010905300000000, 0.0001396600000000, -0.0028145200000000 ] - [ 0.0001036200000000, 0.0001422300000000, 0.0033228300000000 ] - [ -0.0002411600000000, -0.0000060900000000, 0.0004507600000000 ] - [ 0.0001095400000000, 0.0000142200000000, 0.0003050500000000 ] - [ 0.0004642500000000, -0.0000061800000000, 0.0001582700000000 ] - [ -0.0001110500000000, 0.0005858800000000, -0.0003039400000000 ] - [ -0.0005195300000000, -0.0002832200000000, 0.0003519500000000 ] - [ 0.0002975200000000, -0.0002833000000000, -0.0009540300000000 ] - [ 0.0214933200000000, -0.0021752700000000, 0.0007854000000000 ] - [ 0.0005120000000000, -0.0010004300000000, -0.0002694700000000 ] - [ -0.0204155000000000, -0.0021991800000000, -0.0013142200000000 ] - [ 0.0000734200000000, -0.0001400400000000, 0.0000948800000000 ] - [ -0.0001590100000000, 0.0002673700000000, 0.0048351800000000 ] - [ 0.0002616100000000, 0.0002672100000000, -0.0044991800000000 ] - [ -0.0008584000000000, 0.0003072100000000, 0.0001341900000000 ] - [ -0.0007626000000000, -0.0006229800000000, -0.0006820800000000 ] - [ -0.0006668200000000, 0.0003060500000000, -0.0015043200000000 ] - [ 0.0012774700000000, 0.0061847000000000, -0.0001038300000000 ] - [ 0.0008169600000000, -0.0012526900000000, 0.0026099000000000 ] - [ 0.0016962200000000, -0.0012527800000000, -0.0026426500000000 ] - [ 0.0009302100000000, 0.0003913800000000, 0.0025760000000000 ] - [ 0.0000908300000000, -0.0006673800000000, 0.0005033100000000 ] - [ -0.0007392900000000, 0.0003779300000000, -0.0015805300000000 ] - [ -0.0002644900000000, 0.0052684500000000, 0.0001999500000000 ] - [ 0.0009856100000000, -0.0023190600000000, -0.0019772300000000 ] - [ -0.0014569100000000, -0.0023250600000000, 0.0023500400000000 ] - [ -0.0071138200000000, 0.0200080000000000, 0.0097997400000000 ] - [ 0.0002495500000000, -0.0139216100000000, -0.0000282200000000 ] - [ 0.0065291600000000, 0.0183998100000000, -0.0090729900000000 ] - [ -0.0005573800000000, 0.0086788000000000, 0.0005818300000000 ] - [ 0.0012652700000000, -0.0023798300000000, 0.0028383800000000 ] - [ -0.0022994500000000, -0.0023784800000000, -0.0016604700000000 ] - [ -0.0005666400000000, -0.0002881900000000, -0.0015987200000000 ] - [ 0.0007220700000000, -0.0002022400000000, 0.0006563800000000 ] - [ -0.0017953200000000, -0.0002071500000000, -0.0037486700000000 ] - [ -0.0018131400000000, 0.0006262700000000, -0.0039149900000000 ] - [ -0.0008173100000000, -0.0012533900000000, 0.0006026600000000 ] - [ 0.0001793900000000, 0.0006201400000000, 0.0051305000000000 ] - [ 0.0003194800000000, 0.0000561200000000, -0.0001140500000000 ] - [ 0.0001839100000000, -0.0001020900000000, -0.0005032800000000 ] - [ 0.0000488000000000, 0.0000562700000000, -0.0008962500000000 ] - [ -0.0004159200000000, 0.0001506300000000, 0.0003359200000000 ] - [ -0.0002882200000000, -0.0002888100000000, 0.0004806000000000 ] - [ -0.0001613400000000, 0.0001480500000000, 0.0006283600000000 ] - [ 0.0005295400000000, 0.0045259100000000, 0.0001327300000000 ] - [ 0.0013695700000000, -0.0021936900000000, -0.0005898500000000 ] - [ -0.0003041100000000, -0.0021997400000000, 0.0008499100000000 ] - [ 0.0033612400000000, 0.0014400600000000, -0.0001831400000000 ] - [ 0.0003390700000000, -0.0026408200000000, 0.0003814700000000 ] - [ -0.0026927000000000, 0.0014407000000000, 0.0009525100000000 ] - [ 0.0018583400000000, 0.0012305100000000, 0.0046798000000000 ] - [ -0.0004506900000000, -0.0023253500000000, 0.0000141900000000 ] - [ -0.0027705800000000, 0.0012181600000000, -0.0046509100000000 ] - [ 0.0004522800000000, 0.0078000300000000, -0.0000048100000000 ] - [ 0.0007667000000000, -0.0037161800000000, -0.0005180100000000 ] - [ 0.0001385400000000, -0.0037264400000000, 0.0004987300000000 ] - [ -0.0003406700000000, 0.0012555800000000, -0.0003818100000000 ] - [ -0.0007842800000000, -0.0006647500000000, 0.0002729900000000 ] - [ 0.0001014400000000, -0.0006763000000000, -0.0010324200000000 ] - [ -0.0003339400000000, 0.0001800600000000, -0.0003985900000000 ] - [ -0.0005291500000000, -0.0003508900000000, -0.0001351900000000 ] - [ -0.0007280200000000, 0.0001793400000000, 0.0001313100000000 ] - [ 0.0002884900000000, -0.0000686800000000, -0.0004823000000000 ] - [ 0.0003269200000000, 0.0000320800000000, -0.0010390700000000 ] - [ 0.0002497400000000, 0.0000320500000000, 0.0000693600000000 ] - [ -0.0001827800000000, 0.0000376600000000, 0.0005027800000000 ] - [ -0.0000538400000000, -0.0000257000000000, -0.0000517400000000 ] - [ -0.0003154200000000, -0.0000266000000000, 0.0010536700000000 ] - [ 0.0008169000000000, 0.0012713900000000, -0.0006112200000000 ] - [ 0.0005287500000000, -0.0006960700000000, -0.0004963000000000 ] - [ 0.0011026100000000, -0.0007031600000000, -0.0007254300000000 ] - [ -0.0071666200000000, 0.0011573000000000, -0.0041910800000000 ] - [ 0.0005334600000000, -0.0013198300000000, 0.0015504500000000 ] - [ 0.0082171000000000, 0.0011561900000000, 0.0072821500000000 ] - [ -0.0075350400000000, 0.0011452300000000, 0.0059399900000000 ] - [ 0.0005172000000000, -0.0005216800000000, -0.0005743700000000 ] - [ 0.0085564500000000, 0.0011565100000000, -0.0070789000000000 ] - [ -0.0002156700000000, 0.0045185600000000, 0.0000125300000000 ] - [ -0.0005320300000000, -0.0022896100000000, 0.0002657000000000 ] - [ 0.0000994700000000, -0.0023060500000000, -0.0002450900000000 ] - [ -0.0003425700000000, 0.0002084000000000, -0.0000514000000000 ] - [ 0.0002412700000000, -0.0004229900000000, -0.0001889600000000 ] - [ 0.0008328300000000, 0.0002073700000000, -0.0003283700000000 ] - [ -0.0001334000000000, 0.0131937400000000, -0.0005514700000000 ] - [ -0.0005991000000000, -0.0033139400000000, -0.0043065800000000 ] - [ 0.0004183200000000, -0.0032978900000000, 0.0032748500000000 ] - [ -0.0080444600000000, 0.0026051500000000, 0.0030269700000000 ] - [ -0.0012842800000000, -0.0082463800000000, 0.0000301900000000 ] - [ 0.0058130600000000, 0.0022179500000000, -0.0030261100000000 ] - [ 0.0007646400000000, -0.0006816800000000, 0.0007057300000000 ] - [ 0.0001652800000000, -0.0000955900000000, -0.0020684300000000 ] - [ 0.0013583300000000, -0.0000986700000000, 0.0034106900000000 ]- atom: 16 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0001756900000000, 0.0000000000000000, 0.0043680700000000 ] - [ -0.0000407700000000, -0.0005737800000000, 0.0004205700000000 ] - [ -0.0000407700000000, 0.0005737800000000, 0.0004205700000000 ] - [ -0.0001473000000000, -0.0000225600000000, 0.0008820800000000 ] - [ -0.0002651400000000, 0.0000000000000000, 0.0006708900000000 ] - [ -0.0001473000000000, 0.0000225600000000, 0.0008820800000000 ] - [ 0.0013629500000000, 0.0000000000000000, 0.0009467500000000 ] - [ 0.0003325600000000, 0.0001973000000000, 0.0000715000000000 ] - [ 0.0003325600000000, -0.0001973000000000, 0.0000715000000000 ] - [ 0.0057159000000000, 0.0063216100000000, -0.0030173900000000 ] - [ 0.0007149100000000, 0.0000000000000000, -0.0004230100000000 ] - [ 0.0057159000000000, -0.0063216100000000, -0.0030173900000000 ] - [ -0.0012003600000000, 0.0000000000000000, 0.0039899000000000 ] - [ -0.0003898800000000, 0.0003940800000000, 0.0025687500000000 ] - [ -0.0003898800000000, -0.0003940800000000, 0.0025687500000000 ] - [ 0.0131098300000000, 0.0000000000000000, -0.0975345100000000 ] - [ 0.0077726700000000, 0.0025558400000000, -0.0085555100000000 ] - [ 0.0077726700000000, -0.0025558400000000, -0.0085555100000000 ] - [ -0.0101195200000000, 0.0079679500000000, 0.0070490600000000 ] - [ -0.0012217300000000, 0.0000000000000000, 0.0004379000000000 ] - [ -0.0101195200000000, -0.0079679500000000, 0.0070490600000000 ] - [ 0.0003664900000000, -0.0056305000000000, -0.0112550300000000 ] - [ -0.0005005700000000, 0.0000000000000000, -0.0026288200000000 ] - [ 0.0003664900000000, 0.0056305000000000, -0.0112550300000000 ] - [ 0.0030325400000000, -0.0028940100000000, 0.0025005600000000 ] - [ 0.0002602800000000, 0.0000000000000000, 0.0010984600000000 ] - [ 0.0030325400000000, 0.0028940100000000, 0.0025005600000000 ] - [ -0.0002603200000000, 0.0000000000000000, -0.0032043800000000 ] - [ -0.0008635400000000, -0.0001046900000000, -0.0021215600000000 ] - [ -0.0008635400000000, 0.0001046900000000, -0.0021215600000000 ] - [ -0.0030300300000000, 0.0000000000000000, -0.0001609500000000 ] - [ -0.0021164900000000, -0.0010894400000000, -0.0003822000000000 ] - [ -0.0021164900000000, 0.0010894400000000, -0.0003822000000000 ] - [ -0.0006591700000000, 0.0000000000000000, 0.0037128600000000 ] - [ -0.0002848500000000, -0.0000563600000000, 0.0029684600000000 ] - [ -0.0002848500000000, 0.0000563600000000, 0.0029684600000000 ] - [ -0.0095512300000000, -0.0107462100000000, 0.0077670900000000 ] - [ 0.0008400100000000, 0.0000000000000000, -0.0015678600000000 ] - [ -0.0095512300000000, 0.0107462100000000, 0.0077670900000000 ] - [ -0.0004647700000000, 0.0031224400000000, 0.0046869900000000 ] - [ 0.0002755500000000, 0.0000000000000000, 0.0013382300000000 ] - [ -0.0004647700000000, -0.0031224400000000, 0.0046869900000000 ] - [ -0.0009292000000000, 0.0000819600000000, 0.0039283900000000 ] - [ 0.0004557000000000, 0.0000000000000000, 0.0017548400000000 ] - [ -0.0009292000000000, -0.0000819600000000, 0.0039283900000000 ] - [ 0.0167865200000000, 0.0000000000000000, 0.0197269300000000 ] - [ 0.0011719200000000, -0.0008733000000000, -0.0009023800000000 ] - [ 0.0011719200000000, 0.0008733000000000, -0.0009023800000000 ] - [ 0.0007647100000000, -0.0000222400000000, 0.0024624100000000 ] - [ 0.0003121900000000, 0.0000000000000000, 0.0015709300000000 ] - [ 0.0007647100000000, 0.0000222400000000, 0.0024624100000000 ] - [ -0.0014240800000000, 0.0000000000000000, 0.0006171800000000 ] - [ -0.0016085900000000, -0.0002892600000000, 0.0002014400000000 ] - [ -0.0016085900000000, 0.0002892600000000, 0.0002014400000000 ] - [ -0.0096317500000000, 0.0009921400000000, -0.0039515600000000 ] - [ 0.0029783200000000, 0.0000000000000000, -0.0022714400000000 ] - [ -0.0096317500000000, -0.0009921400000000, -0.0039515600000000 ] - [ 0.0009101500000000, 0.0000000000000000, 0.0309804800000000 ] - [ 0.0009221800000000, 0.0008646000000000, 0.0010976500000000 ] - [ 0.0009221800000000, -0.0008646000000000, 0.0010976500000000 ] - [ -0.0009494400000000, -0.0001090200000000, -0.0035166800000000 ] - [ -0.0009503900000000, 0.0000000000000000, -0.0023845400000000 ] - [ -0.0009494400000000, 0.0001090200000000, -0.0035166800000000 ] - [ 0.0034011300000000, 0.0000000000000000, -0.0074412700000000 ] - [ 0.0000212500000000, 0.0017471900000000, 0.0016023800000000 ] - [ 0.0000212500000000, -0.0017471900000000, 0.0016023800000000 ] - [ 0.0007752300000000, 0.0015651200000000, -0.0034473700000000 ] - [ 0.0002962200000000, 0.0000000000000000, -0.0006400300000000 ] - [ 0.0007752300000000, -0.0015651200000000, -0.0034473700000000 ] - [ 0.0101475200000000, 0.0000000000000000, -0.0109145400000000 ] - [ -0.0004827400000000, -0.0012708300000000, -0.0002509300000000 ] - [ -0.0004827400000000, 0.0012708300000000, -0.0002509300000000 ] - [ -0.0120283600000000, 0.0109069800000000, 0.0214346300000000 ] - [ 0.0006589200000000, 0.0000000000000000, 0.0009590300000000 ] - [ -0.0120283600000000, -0.0109069800000000, 0.0214346300000000 ] - [ -0.0110818600000000, 0.0000000000000000, 0.0064716100000000 ] - [ -0.0009711300000000, -0.0000274600000000, 0.0028793200000000 ] - [ -0.0009711300000000, 0.0000274600000000, 0.0028793200000000 ] - [ -0.0084223200000000, 0.0000000000000000, -0.0115452300000000 ] - [ -0.0007798400000000, 0.0004315000000000, -0.0011624500000000 ] - [ -0.0007798400000000, -0.0004315000000000, -0.0011624500000000 ] - [ -0.0002287100000000, -0.0007405400000000, -0.0018122300000000 ] - [ -0.0008654800000000, 0.0000000000000000, -0.0000238300000000 ] - [ -0.0002287100000000, 0.0007405400000000, -0.0018122300000000 ] - [ -0.0003065800000000, -0.0000397600000000, -0.0024838200000000 ] - [ -0.0000608900000000, 0.0000000000000000, -0.0016325200000000 ] - [ -0.0003065800000000, 0.0000397600000000, -0.0024838200000000 ] - [ -0.0009397000000000, -0.0002983300000000, -0.0014153000000000 ] - [ -0.0005412400000000, 0.0000000000000000, -0.0006055200000000 ] - [ -0.0009397000000000, 0.0002983300000000, -0.0014153000000000 ] - [ 0.0019447300000000, 0.0000000000000000, -0.0009425000000000 ] - [ 0.0022500200000000, -0.0013716600000000, -0.0012392000000000 ] - [ 0.0022500200000000, 0.0013716600000000, -0.0012392000000000 ] - [ 0.0018172700000000, -0.0002369900000000, 0.0030471400000000 ] - [ 0.0008617700000000, 0.0000000000000000, 0.0015383100000000 ] - [ 0.0018172700000000, 0.0002369900000000, 0.0030471400000000 ] - [ 0.0001886500000000, 0.0011590700000000, 0.0023976100000000 ] - [ 0.0007314700000000, 0.0000000000000000, 0.0007983000000000 ] - [ 0.0001886500000000, -0.0011590700000000, 0.0023976100000000 ] - [ 0.0010575100000000, 0.0000000000000000, 0.0023028700000000 ] - [ -0.0001062700000000, 0.0006281100000000, 0.0009903400000000 ] - [ -0.0001062700000000, -0.0006281100000000, 0.0009903400000000 ] - [ -0.0012038600000000, 0.0000000000000000, -0.0011591200000000 ] - [ -0.0012879600000000, 0.0009347400000000, -0.0007293400000000 ] - [ -0.0012879600000000, -0.0009347400000000, -0.0007293400000000 ] - [ -0.0004128700000000, 0.0001209100000000, -0.0019940600000000 ] - [ -0.0004269500000000, 0.0000000000000000, -0.0014257400000000 ] - [ -0.0004128700000000, -0.0001209100000000, -0.0019940600000000 ] - [ 0.0007086200000000, 0.0000000000000000, -0.0014461200000000 ] - [ 0.0007249300000000, 0.0001430300000000, -0.0012570800000000 ] - [ 0.0007249300000000, -0.0001430300000000, -0.0012570800000000 ] - [ -0.0004869400000000, 0.0000000000000000, 0.0013093200000000 ] - [ 0.0001508700000000, -0.0000674200000000, 0.0011510300000000 ] - [ 0.0001508700000000, 0.0000674200000000, 0.0011510300000000 ] - [ 0.0008240300000000, 0.0000000000000000, -0.0036270000000000 ] - [ 0.0011049700000000, -0.0011615600000000, -0.0032487000000000 ] - [ 0.0011049700000000, 0.0011615600000000, -0.0032487000000000 ] - [ 0.0036008400000000, -0.0014605500000000, 0.0074058600000000 ] - [ 0.0001599900000000, 0.0000000000000000, 0.0023444100000000 ] - [ 0.0036008400000000, 0.0014605500000000, 0.0074058600000000 ] - [ 0.0035906000000000, -0.0000276800000000, -0.0006248600000000 ] - [ -0.0008615800000000, 0.0000000000000000, 0.0015627500000000 ] - [ 0.0035906000000000, 0.0000276800000000, -0.0006248600000000 ] - [ 0.0026345300000000, 0.0000000000000000, -0.0016557500000000 ] - [ 0.0019773800000000, 0.0038392100000000, -0.0017858100000000 ] - [ 0.0019773800000000, -0.0038392100000000, -0.0017858100000000 ] - [ 0.0010707900000000, 0.0000506000000000, -0.0014542200000000 ] - [ 0.0000715600000000, 0.0000000000000000, -0.0012724400000000 ] - [ 0.0010707900000000, -0.0000506000000000, -0.0014542200000000 ] - [ 0.0126326600000000, 0.0000000000000000, 0.0233590100000000 ] - [ -0.0004682000000000, -0.0014965300000000, 0.0005770700000000 ] - [ -0.0004682000000000, 0.0014965300000000, 0.0005770700000000 ] - [ 0.0012494500000000, 0.0029649700000000, 0.0049989600000000 ] - [ -0.0060207300000000, 0.0000000000000000, 0.0017859900000000 ] - [ 0.0012494500000000, -0.0029649700000000, 0.0049989600000000 ] - [ -0.0023813000000000, 0.0000000000000000, -0.0117535600000000 ] - [ 0.0004602200000000, -0.0004976700000000, -0.0001737700000000 ] - [ 0.0004602200000000, 0.0004976700000000, -0.0001737700000000 ]- atom: 16 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0002384600000000, 0.0000000000000000, -0.0041704300000000 ] - [ -0.0003693200000000, 0.0005787200000000, -0.0001742400000000 ] - [ -0.0003693200000000, -0.0005787200000000, -0.0001742400000000 ] - [ -0.0000801400000000, 0.0000226100000000, -0.0004132900000000 ] - [ 0.0000400500000000, 0.0000000000000000, -0.0001954100000000 ] - [ -0.0000801400000000, -0.0000226100000000, -0.0004132900000000 ] - [ -0.0011365100000000, 0.0000000000000000, -0.0014230300000000 ] - [ -0.0001072700000000, -0.0001970100000000, -0.0005456800000000 ] - [ -0.0001072700000000, 0.0001970100000000, -0.0005456800000000 ] - [ -0.0053086400000000, -0.0063301200000000, 0.0027471300000000 ] - [ -0.0003104300000000, 0.0000000000000000, 0.0001753500000000 ] - [ -0.0053086400000000, 0.0063301200000000, 0.0027471300000000 ] - [ 0.0013833900000000, 0.0000000000000000, -0.0031185100000000 ] - [ 0.0005804000000000, -0.0003868900000000, -0.0017041300000000 ] - [ 0.0005804000000000, 0.0003868900000000, -0.0017041300000000 ] - [ -0.0122506700000000, 0.0000000000000000, 0.0965506700000000 ] - [ -0.0068154600000000, -0.0026614100000000, 0.0083656600000000 ] - [ -0.0068154600000000, 0.0026614100000000, 0.0083656600000000 ] - [ 0.0101526400000000, -0.0078598300000000, -0.0052430200000000 ] - [ 0.0013438900000000, 0.0000000000000000, 0.0013734400000000 ] - [ 0.0101526400000000, 0.0078598300000000, -0.0052430200000000 ] - [ 0.0007509500000000, 0.0056168300000000, 0.0104263900000000 ] - [ 0.0015442700000000, 0.0000000000000000, 0.0017706400000000 ] - [ 0.0007509500000000, -0.0056168300000000, 0.0104263900000000 ] - [ -0.0020338700000000, 0.0029092800000000, -0.0023871400000000 ] - [ 0.0007560500000000, 0.0000000000000000, -0.0009841600000000 ] - [ -0.0020338700000000, -0.0029092800000000, -0.0023871400000000 ] - [ -0.0007583500000000, 0.0000000000000000, 0.0030889200000000 ] - [ -0.0001488900000000, 0.0001050700000000, 0.0020060900000000 ] - [ -0.0001488900000000, -0.0001050700000000, 0.0020060900000000 ] - [ 0.0020303500000000, 0.0000000000000000, 0.0010592700000000 ] - [ 0.0011078100000000, 0.0010865300000000, 0.0012773200000000 ] - [ 0.0011078100000000, -0.0010865300000000, 0.0012773200000000 ] - [ 0.0005578100000000, 0.0000000000000000, -0.0055720100000000 ] - [ 0.0001810200000000, 0.0000572900000000, -0.0048269400000000 ] - [ 0.0001810200000000, -0.0000572900000000, -0.0048269400000000 ] - [ 0.0086494200000000, 0.0108802700000000, -0.0075827000000000 ] - [ -0.0018728400000000, 0.0000000000000000, 0.0018299900000000 ] - [ 0.0086494200000000, -0.0108802700000000, -0.0075827000000000 ] - [ 0.0002838600000000, -0.0031167100000000, -0.0055602000000000 ] - [ -0.0004641400000000, 0.0000000000000000, -0.0022208900000000 ] - [ 0.0002838600000000, 0.0031167100000000, -0.0055602000000000 ] - [ 0.0008115500000000, -0.0000832000000000, -0.0042420800000000 ] - [ -0.0005843200000000, 0.0000000000000000, -0.0020480300000000 ] - [ 0.0008115500000000, 0.0000832000000000, -0.0042420800000000 ] - [ -0.0182221900000000, 0.0000000000000000, -0.0193349500000000 ] - [ -0.0021770700000000, 0.0008773300000000, 0.0014547600000000 ] - [ -0.0021770700000000, -0.0008773300000000, 0.0014547600000000 ] - [ -0.0005357200000000, 0.0000222900000000, -0.0018635500000000 ] - [ -0.0000822700000000, 0.0000000000000000, -0.0009710800000000 ] - [ -0.0005357200000000, -0.0000222900000000, -0.0018635500000000 ] - [ 0.0011946000000000, 0.0000000000000000, -0.0012286000000000 ] - [ 0.0013752200000000, 0.0002868200000000, -0.0008101200000000 ] - [ 0.0013752200000000, -0.0002868200000000, -0.0008101200000000 ] - [ 0.0106030900000000, -0.0009916300000000, 0.0034263700000000 ] - [ -0.0020111500000000, 0.0000000000000000, 0.0017502100000000 ] - [ 0.0106030900000000, 0.0009916300000000, 0.0034263700000000 ] - [ -0.0004666300000000, 0.0000000000000000, -0.0305528600000000 ] - [ -0.0007983300000000, -0.0008635700000000, -0.0008207900000000 ] - [ -0.0007983300000000, 0.0008635700000000, -0.0008207900000000 ] - [ -0.0005517300000000, 0.0001082400000000, 0.0021750000000000 ] - [ -0.0005517200000000, 0.0000000000000000, 0.0010289100000000 ] - [ -0.0005517300000000, -0.0001082400000000, 0.0021750000000000 ] - [ -0.0008285700000000, 0.0000000000000000, 0.0071746400000000 ] - [ 0.0025240200000000, -0.0017607400000000, -0.0016591400000000 ] - [ 0.0025240200000000, 0.0017607400000000, -0.0016591400000000 ] - [ -0.0005840800000000, -0.0015785400000000, 0.0044580200000000 ] - [ -0.0000978100000000, 0.0000000000000000, 0.0016280100000000 ] - [ -0.0005840800000000, 0.0015785400000000, 0.0044580200000000 ] - [ -0.0106096800000000, 0.0000000000000000, 0.0111400400000000 ] - [ -0.0000089200000000, 0.0012688900000000, 0.0006479500000000 ] - [ -0.0000089200000000, -0.0012688900000000, 0.0006479500000000 ] - [ 0.0120653900000000, -0.0102140200000000, -0.0213116800000000 ] - [ -0.0002279500000000, 0.0000000000000000, -0.0009755800000000 ] - [ 0.0120653900000000, 0.0102140200000000, -0.0213116800000000 ] - [ 0.0100469500000000, 0.0000000000000000, -0.0055375300000000 ] - [ -0.0000785600000000, 0.0000329000000000, -0.0017208000000000 ] - [ -0.0000785600000000, -0.0000329000000000, -0.0017208000000000 ] - [ 0.0074226300000000, 0.0000000000000000, 0.0084570000000000 ] - [ -0.0003195000000000, -0.0004342100000000, -0.0019640300000000 ] - [ -0.0003195000000000, 0.0004342100000000, -0.0019640300000000 ] - [ -0.0013947200000000, 0.0007288800000000, 0.0030410800000000 ] - [ -0.0007704900000000, 0.0000000000000000, 0.0012588100000000 ] - [ -0.0013947200000000, -0.0007288800000000, 0.0030410800000000 ] - [ 0.0006475200000000, 0.0000402000000000, 0.0014770500000000 ] - [ 0.0004049700000000, 0.0000000000000000, 0.0006232400000000 ] - [ 0.0006475200000000, -0.0000402000000000, 0.0014770500000000 ] - [ 0.0003438500000000, 0.0002985000000000, 0.0024129400000000 ] - [ -0.0000541700000000, 0.0000000000000000, 0.0016008300000000 ] - [ 0.0003438500000000, -0.0002985000000000, 0.0024129400000000 ] - [ -0.0008853000000000, 0.0000000000000000, 0.0012219100000000 ] - [ -0.0011808200000000, 0.0013635400000000, 0.0015091800000000 ] - [ -0.0011808200000000, -0.0013635400000000, 0.0015091800000000 ] - [ -0.0011343600000000, 0.0002346800000000, -0.0022685200000000 ] - [ -0.0001793900000000, 0.0000000000000000, -0.0007701500000000 ] - [ -0.0011343600000000, -0.0002346800000000, -0.0022685200000000 ] - [ -0.0011074100000000, -0.0011560700000000, -0.0024099200000000 ] - [ -0.0016419200000000, 0.0000000000000000, -0.0007895500000000 ] - [ -0.0011074100000000, 0.0011560700000000, -0.0024099200000000 ] - [ -0.0001719100000000, 0.0000000000000000, -0.0023248600000000 ] - [ 0.0010004900000000, -0.0006208600000000, -0.0010171700000000 ] - [ 0.0010004900000000, 0.0006208600000000, -0.0010171700000000 ] - [ 0.0005232000000000, 0.0000000000000000, 0.0003878500000000 ] - [ 0.0006076400000000, -0.0009394900000000, -0.0000421800000000 ] - [ 0.0006076400000000, 0.0009394900000000, -0.0000421800000000 ] - [ -0.0006542700000000, -0.0001219200000000, 0.0017296700000000 ] - [ -0.0006394700000000, 0.0000000000000000, 0.0011615300000000 ] - [ -0.0006542700000000, 0.0001219200000000, 0.0017296700000000 ] - [ -0.0001108600000000, 0.0000000000000000, 0.0004597700000000 ] - [ -0.0001275400000000, -0.0001411400000000, 0.0002664400000000 ] - [ -0.0001275400000000, 0.0001411400000000, 0.0002664400000000 ] - [ 0.0001473000000000, 0.0000000000000000, -0.0002928800000000 ] - [ -0.0004917900000000, 0.0000678300000000, -0.0001354900000000 ] - [ -0.0004917900000000, -0.0000678300000000, -0.0001354900000000 ] - [ 0.0008085300000000, 0.0000000000000000, 0.0024142000000000 ] - [ 0.0005278400000000, 0.0011625900000000, 0.0020367200000000 ] - [ 0.0005278400000000, -0.0011625900000000, 0.0020367200000000 ] - [ -0.0025058600000000, 0.0014699500000000, -0.0042999800000000 ] - [ 0.0009443100000000, 0.0000000000000000, 0.0007711500000000 ] - [ -0.0025058600000000, -0.0014699500000000, -0.0042999800000000 ] - [ -0.0025279200000000, 0.0000207900000000, -0.0005896900000000 ] - [ 0.0019244800000000, 0.0000000000000000, -0.0027630600000000 ] - [ -0.0025279200000000, -0.0000207900000000, -0.0005896900000000 ] - [ -0.0030923100000000, 0.0000000000000000, 0.0016817200000000 ] - [ -0.0024348200000000, -0.0038787000000000, 0.0018157600000000 ] - [ -0.0024348200000000, 0.0038787000000000, 0.0018157600000000 ] - [ -0.0005876000000000, -0.0000514300000000, 0.0010809600000000 ] - [ 0.0004183200000000, 0.0000000000000000, 0.0008977300000000 ] - [ -0.0005876000000000, 0.0000514300000000, 0.0010809600000000 ] - [ -0.0119878700000000, 0.0000000000000000, -0.0231159800000000 ] - [ 0.0002732600000000, 0.0014970400000000, -0.0015536500000000 ] - [ 0.0002732600000000, -0.0014970400000000, -0.0015536500000000 ] - [ -0.0037597300000000, -0.0029571800000000, -0.0050055600000000 ] - [ 0.0035163200000000, 0.0000000000000000, -0.0017592600000000 ] - [ -0.0037597300000000, 0.0029571800000000, -0.0050055600000000 ] - [ 0.0038247900000000, 0.0000000000000000, 0.0131562000000000 ] - [ 0.0010459500000000, 0.0004964800000000, 0.0015405600000000 ] - [ 0.0010459500000000, -0.0004964800000000, 0.0015405600000000 ]- atom: 19 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0002572600000000, 0.0000619100000000, -0.0000338200000000 ] - [ -0.0002572600000000, -0.0000619100000000, -0.0000338200000000 ] - [ -0.0002669700000000, 0.0000000000000000, 0.0001445200000000 ] - [ 0.0003420900000000, 0.0000000000000000, -0.0012597300000000 ] - [ 0.0000062000000000, -0.0009036900000000, -0.0005478300000000 ] - [ 0.0000062000000000, 0.0009036900000000, -0.0005478300000000 ] - [ 0.0029441000000000, -0.0000238500000000, -0.0004975200000000 ] - [ 0.0029441000000000, 0.0000238500000000, -0.0004975200000000 ] - [ 0.0007435300000000, 0.0000000000000000, -0.0004039400000000 ] - [ 0.0036307100000000, 0.0000000000000000, -0.0015707900000000 ] - [ 0.0018157200000000, 0.0011775500000000, -0.0008006900000000 ] - [ 0.0018157200000000, -0.0011775500000000, -0.0008006900000000 ] - [ -0.0126004300000000, -0.0034522600000000, -0.0059530900000000 ] - [ -0.0126004300000000, 0.0034522600000000, -0.0059530900000000 ] - [ -0.0013662900000000, 0.0000000000000000, 0.0004030200000000 ] - [ 0.0023837300000000, -0.0055550300000000, -0.0100268900000000 ] - [ 0.0023837300000000, 0.0055550300000000, -0.0100268900000000 ] - [ 0.0009096300000000, 0.0000000000000000, -0.0013441500000000 ] - [ -0.0882320500000000, 0.0000000000000000, -0.0128372400000000 ] - [ -0.0216836900000000, 0.0023500900000000, 0.0037804300000000 ] - [ -0.0216836900000000, -0.0023500900000000, 0.0037804300000000 ] - [ -0.0097616800000000, 0.0000000000000000, 0.0119159400000000 ] - [ -0.0021845300000000, -0.0011918100000000, 0.0004111100000000 ] - [ -0.0021845300000000, 0.0011918100000000, 0.0004111100000000 ] - [ 0.0002917900000000, 0.0000000000000000, 0.0007046300000000 ] - [ 0.0003531000000000, -0.0000750300000000, 0.0004921100000000 ] - [ 0.0003531000000000, 0.0000750300000000, 0.0004921100000000 ] - [ 0.0103617000000000, 0.0135693900000000, 0.0080731600000000 ] - [ 0.0103617000000000, -0.0135693900000000, 0.0080731600000000 ] - [ -0.0001296600000000, 0.0000000000000000, 0.0002000500000000 ] - [ 0.0004632100000000, 0.0004795700000000, 0.0024307100000000 ] - [ 0.0004632100000000, -0.0004795700000000, 0.0024307100000000 ] - [ -0.0001314900000000, 0.0000000000000000, 0.0013283500000000 ] - [ 0.0001017300000000, 0.0000006600000000, 0.0006972700000000 ] - [ 0.0001017300000000, -0.0000006600000000, 0.0006972700000000 ] - [ 0.0002985500000000, 0.0000000000000000, 0.0003329100000000 ] - [ 0.0002548900000000, 0.0000000000000000, -0.0002687200000000 ] - [ 0.0001258600000000, 0.0000167500000000, 0.0000780600000000 ] - [ 0.0001258600000000, -0.0000167500000000, 0.0000780600000000 ] - [ 0.0052507000000000, 0.0000000000000000, 0.0111994800000000 ] - [ 0.0002738400000000, 0.0032088300000000, 0.0030867000000000 ] - [ 0.0002738400000000, -0.0032088300000000, 0.0030867000000000 ] - [ -0.0007283100000000, 0.0000000000000000, -0.0007797500000000 ] - [ -0.0002124200000000, -0.0001310200000000, 0.0000376100000000 ] - [ -0.0002124200000000, 0.0001310200000000, 0.0000376100000000 ] - [ -0.0012259300000000, -0.0002298800000000, 0.0005241300000000 ] - [ -0.0012259300000000, 0.0002298800000000, 0.0005241300000000 ] - [ -0.0009175400000000, 0.0000000000000000, 0.0004906500000000 ] - [ 0.0013666400000000, 0.0000000000000000, 0.0010810600000000 ] - [ 0.0008824200000000, -0.0000486900000000, 0.0006004900000000 ] - [ 0.0008824200000000, 0.0000486900000000, 0.0006004900000000 ] - [ 0.0143957300000000, 0.0014408000000000, -0.0091971300000000 ] - [ 0.0143957300000000, -0.0014408000000000, -0.0091971300000000 ] - [ -0.0027041400000000, 0.0000000000000000, -0.0005600800000000 ] - [ 0.0041942700000000, 0.0000000000000000, 0.0023461100000000 ] - [ 0.0033894100000000, 0.0004606500000000, 0.0019257300000000 ] - [ 0.0033894100000000, -0.0004606500000000, 0.0019257300000000 ] - [ 0.0248130800000000, -0.0024803100000000, 0.0010358700000000 ] - [ 0.0248130800000000, 0.0024803100000000, 0.0010358700000000 ] - [ -0.0008395100000000, 0.0000000000000000, 0.0001320000000000 ] - [ -0.0001435000000000, 0.0000000000000000, -0.0003066500000000 ] - [ -0.0001959100000000, -0.0000564900000000, -0.0013508900000000 ] - [ -0.0001959100000000, 0.0000564900000000, -0.0013508900000000 ] - [ 0.0016662600000000, 0.0000521300000000, 0.0008479100000000 ] - [ 0.0016662600000000, -0.0000521300000000, 0.0008479100000000 ] - [ 0.0015288800000000, 0.0000000000000000, 0.0002475100000000 ] - [ 0.0001951500000000, 0.0000000000000000, 0.0007053800000000 ] - [ 0.0001702600000000, 0.0000475200000000, 0.0001977600000000 ] - [ 0.0001702600000000, -0.0000475200000000, 0.0001977600000000 ] - [ 0.0112791900000000, 0.0012629000000000, 0.0015795200000000 ] - [ 0.0112791900000000, -0.0012629000000000, 0.0015795200000000 ] - [ 0.0027784300000000, 0.0000000000000000, 0.0004392700000000 ] - [ 0.0091175600000000, 0.0000000000000000, 0.0038674300000000 ] - [ 0.0022200600000000, -0.0022619300000000, 0.0007421800000000 ] - [ 0.0022200600000000, 0.0022619300000000, 0.0007421800000000 ] - [ 0.0020176200000000, -0.0011489300000000, 0.0007732700000000 ] - [ 0.0020176200000000, 0.0011489300000000, 0.0007732700000000 ] - [ 0.0004050000000000, 0.0000000000000000, 0.0004062300000000 ] - [ -0.0002559100000000, -0.0000339500000000, -0.0013267900000000 ] - [ -0.0002559100000000, 0.0000339500000000, -0.0013267900000000 ] - [ -0.0003720100000000, 0.0000000000000000, -0.0015357000000000 ] - [ 0.0151386700000000, 0.0000000000000000, 0.0064027200000000 ] - [ 0.0022073100000000, 0.0002505800000000, 0.0005088800000000 ] - [ 0.0022073100000000, -0.0002505800000000, 0.0005088800000000 ] - [ -0.0009862900000000, 0.0000000000000000, -0.0008587700000000 ] - [ -0.0004374300000000, 0.0001716300000000, -0.0007287100000000 ] - [ -0.0004374300000000, -0.0001716300000000, -0.0007287100000000 ] - [ -0.0026644100000000, 0.0000000000000000, -0.0002721000000000 ] - [ -0.0012851100000000, 0.0000464200000000, 0.0001795900000000 ] - [ -0.0012851100000000, -0.0000464200000000, 0.0001795900000000 ] - [ 0.0077270000000000, -0.0054077100000000, 0.0046479300000000 ] - [ 0.0077270000000000, 0.0054077100000000, 0.0046479300000000 ] - [ 0.0045572700000000, 0.0000000000000000, -0.0019679400000000 ] - [ 0.0052214300000000, 0.0000000000000000, -0.0060133500000000 ] - [ 0.0034482300000000, 0.0032611500000000, 0.0004090600000000 ] - [ 0.0034482300000000, -0.0032611500000000, 0.0004090600000000 ] - [ -0.0016632700000000, 0.0000000000000000, -0.0011970700000000 ] - [ -0.0002717900000000, 0.0003395800000000, -0.0005047600000000 ] - [ -0.0002717900000000, -0.0003395800000000, -0.0005047600000000 ] - [ 0.0014600900000000, -0.0013434300000000, -0.0042496500000000 ] - [ 0.0014600900000000, 0.0013434300000000, -0.0042496500000000 ] - [ 0.0005172800000000, 0.0000000000000000, -0.0010260200000000 ] - [ -0.0003510100000000, -0.0000926800000000, -0.0011501900000000 ] - [ -0.0003510100000000, 0.0000926800000000, -0.0011501900000000 ] - [ -0.0005017900000000, 0.0000000000000000, -0.0008925900000000 ] - [ -0.0013905400000000, 0.0000000000000000, -0.0012228600000000 ] - [ -0.0011399700000000, 0.0000530000000000, -0.0005884800000000 ] - [ -0.0011399700000000, -0.0000530000000000, -0.0005884800000000 ] - [ -0.0006219700000000, 0.0000703400000000, 0.0069649800000000 ] - [ -0.0006219700000000, -0.0000703400000000, 0.0069649800000000 ] - [ 0.0014266500000000, 0.0000000000000000, -0.0006934800000000 ] - [ -0.0054693700000000, -0.0012206500000000, -0.0000436000000000 ] - [ -0.0054693700000000, 0.0012206500000000, -0.0000436000000000 ] - [ 0.0006341600000000, 0.0000000000000000, 0.0012933700000000 ] - [ 0.0032118200000000, 0.0014301300000000, -0.0026576700000000 ] - [ 0.0032118200000000, -0.0014301300000000, -0.0026576700000000 ] - [ 0.0019271800000000, 0.0000000000000000, -0.0018261900000000 ] - [ -0.0036159600000000, 0.0000000000000000, -0.0008834100000000 ] - [ -0.0026106900000000, 0.0023749400000000, -0.0014338800000000 ] - [ -0.0026106900000000, -0.0023749400000000, -0.0014338800000000 ] - [ -0.0004125700000000, 0.0000000000000000, -0.0011015500000000 ] - [ -0.0002215900000000, 0.0001215700000000, -0.0011052200000000 ] - [ -0.0002215900000000, -0.0001215700000000, -0.0011052200000000 ] - [ -0.0007327300000000, -0.0000255700000000, -0.0005116900000000 ] - [ -0.0007327300000000, 0.0000255700000000, -0.0005116900000000 ] - [ -0.0004747300000000, 0.0000000000000000, -0.0003646000000000 ] - [ 0.0009151600000000, 0.0000000000000000, -0.0003428600000000 ] - [ 0.0005233500000000, -0.0000151600000000, -0.0004676900000000 ] - [ 0.0005233500000000, 0.0000151600000000, -0.0004676900000000 ] - [ -0.0063583800000000, 0.0009872100000000, 0.0055209300000000 ] - [ -0.0063583800000000, -0.0009872100000000, 0.0055209300000000 ] - [ -0.0001837500000000, 0.0000000000000000, -0.0002385100000000 ] - [ -0.0044776400000000, 0.0000000000000000, 0.0006400100000000 ] - [ -0.0043332200000000, -0.0011281400000000, 0.0002444300000000 ] - [ -0.0043332200000000, 0.0011281400000000, 0.0002444300000000 ] - [ -0.0061011600000000, 0.0001441900000000, -0.0054108000000000 ] - [ -0.0061011600000000, -0.0001441900000000, -0.0054108000000000 ] - [ 0.0009373900000000, 0.0000000000000000, 0.0010817800000000 ]- atom: 19 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0001466800000000, -0.0000615900000000, 0.0002792200000000 ] - [ -0.0001466800000000, 0.0000615900000000, 0.0002792200000000 ] - [ -0.0001403100000000, 0.0000000000000000, 0.0000946000000000 ] - [ -0.0005640300000000, 0.0000000000000000, 0.0017227300000000 ] - [ -0.0002296900000000, 0.0009024200000000, 0.0010070600000000 ] - [ -0.0002296900000000, -0.0009024200000000, 0.0010070600000000 ] - [ -0.0027214400000000, 0.0000258300000000, 0.0000555700000000 ] - [ -0.0027214400000000, -0.0000258300000000, 0.0000555700000000 ] - [ -0.0005171800000000, 0.0000000000000000, -0.0000531600000000 ] - [ -0.0032150700000000, 0.0000000000000000, 0.0013151500000000 ] - [ -0.0014155100000000, -0.0011729900000000, 0.0005533400000000 ] - [ -0.0014155100000000, 0.0011729900000000, 0.0005533400000000 ] - [ 0.0128653300000000, 0.0035919900000000, 0.0067786100000000 ] - [ 0.0128653300000000, -0.0035919900000000, 0.0067786100000000 ] - [ 0.0015587100000000, 0.0000000000000000, 0.0004789500000000 ] - [ -0.0013824100000000, 0.0055665900000000, 0.0097585500000000 ] - [ -0.0013824100000000, -0.0055665900000000, 0.0097585500000000 ] - [ 0.0001082100000000, 0.0000000000000000, 0.0011130600000000 ] - [ 0.0880184100000000, 0.0000000000000000, 0.0145623100000000 ] - [ 0.0218139300000000, -0.0024054900000000, -0.0019170200000000 ] - [ 0.0218139300000000, 0.0024054900000000, -0.0019170200000000 ] - [ 0.0108602200000000, 0.0000000000000000, -0.0128856700000000 ] - [ 0.0032265900000000, 0.0012030700000000, -0.0012925100000000 ] - [ 0.0032265900000000, -0.0012030700000000, -0.0012925100000000 ] - [ 0.0007283600000000, 0.0000000000000000, -0.0006161100000000 ] - [ 0.0006644000000000, 0.0000763800000000, -0.0003958700000000 ] - [ 0.0006644000000000, -0.0000763800000000, -0.0003958700000000 ] - [ -0.0114884700000000, -0.0137096100000000, -0.0082438300000000 ] - [ -0.0114884700000000, 0.0137096100000000, -0.0082438300000000 ] - [ -0.0008856400000000, 0.0000000000000000, -0.0002987400000000 ] - [ -0.0014985600000000, -0.0004869400000000, -0.0015762900000000 ] - [ -0.0014985600000000, 0.0004869400000000, -0.0015762900000000 ] - [ -0.0008968200000000, 0.0000000000000000, -0.0004642300000000 ] - [ -0.0002254200000000, 0.0000023100000000, -0.0025651000000000 ] - [ -0.0002254200000000, -0.0000023100000000, -0.0025651000000000 ] - [ -0.0004169000000000, 0.0000000000000000, -0.0021891600000000 ] - [ -0.0012824900000000, 0.0000000000000000, 0.0004903000000000 ] - [ -0.0011522800000000, -0.0000155700000000, 0.0001464500000000 ] - [ -0.0011522800000000, 0.0000155700000000, 0.0001464500000000 ] - [ -0.0055285200000000, 0.0000000000000000, -0.0120170800000000 ] - [ -0.0004809300000000, -0.0032153900000000, -0.0039581900000000 ] - [ -0.0004809300000000, 0.0032153900000000, -0.0039581900000000 ] - [ 0.0005925900000000, 0.0000000000000000, 0.0004582400000000 ] - [ 0.0000748100000000, 0.0001343700000000, -0.0003517200000000 ] - [ 0.0000748100000000, -0.0001343700000000, -0.0003517200000000 ] - [ 0.0002512400000000, 0.0002319500000000, -0.0000073000000000 ] - [ 0.0002512400000000, -0.0002319500000000, -0.0000073000000000 ] - [ -0.0000613800000000, 0.0000000000000000, 0.0000323600000000 ] - [ -0.0011433600000000, 0.0000000000000000, -0.0004856100000000 ] - [ -0.0006592900000000, 0.0000485300000000, 0.0000016300000000 ] - [ -0.0006592900000000, -0.0000485300000000, 0.0000016300000000 ] - [ -0.0146130500000000, -0.0015448600000000, 0.0086886000000000 ] - [ -0.0146130500000000, 0.0015448600000000, 0.0086886000000000 ] - [ 0.0024870100000000, 0.0000000000000000, -0.0000280800000000 ] - [ -0.0032287800000000, 0.0000000000000000, -0.0029013400000000 ] - [ -0.0024239200000000, -0.0004632800000000, -0.0024790900000000 ] - [ -0.0024239200000000, 0.0004632800000000, -0.0024790900000000 ] - [ -0.0246169200000000, 0.0023060000000000, -0.0006982300000000 ] - [ -0.0246169200000000, -0.0023060000000000, -0.0006982300000000 ] - [ 0.0009575300000000, 0.0000000000000000, 0.0001705300000000 ] - [ -0.0013636300000000, 0.0000000000000000, -0.0010215600000000 ] - [ -0.0013080200000000, 0.0000817700000000, 0.0000213000000000 ] - [ -0.0013080200000000, -0.0000817700000000, 0.0000213000000000 ] - [ 0.0008546300000000, -0.0000525000000000, -0.0008823400000000 ] - [ 0.0008546300000000, 0.0000525000000000, -0.0008823400000000 ] - [ 0.0009956200000000, 0.0000000000000000, -0.0002828100000000 ] - [ 0.0000038800000000, 0.0000000000000000, 0.0003046000000000 ] - [ 0.0000302500000000, -0.0000493200000000, 0.0008086600000000 ] - [ 0.0000302500000000, 0.0000493200000000, 0.0008086600000000 ] - [ -0.0111393400000000, -0.0018892200000000, -0.0011415000000000 ] - [ -0.0111393400000000, 0.0018892200000000, -0.0011415000000000 ] - [ -0.0032715700000000, 0.0000000000000000, -0.0000654100000000 ] - [ -0.0085346000000000, 0.0000000000000000, -0.0041203200000000 ] - [ -0.0017930700000000, 0.0022683400000000, -0.0007669500000000 ] - [ -0.0017930700000000, -0.0022683400000000, -0.0007669500000000 ] - [ -0.0030925200000000, 0.0011608900000000, 0.0004234800000000 ] - [ -0.0030925200000000, -0.0011608900000000, 0.0004234800000000 ] - [ -0.0014709900000000, 0.0000000000000000, 0.0007861800000000 ] - [ -0.0008450600000000, 0.0000342900000000, -0.0017825400000000 ] - [ -0.0008450600000000, -0.0000342900000000, -0.0017825400000000 ] - [ -0.0007287900000000, 0.0000000000000000, -0.0015749200000000 ] - [ -0.0167663300000000, 0.0000000000000000, -0.0048185400000000 ] - [ -0.0038315400000000, -0.0002371200000000, 0.0006927300000000 ] - [ -0.0038315400000000, 0.0002371200000000, 0.0006927300000000 ] - [ 0.0013302900000000, 0.0000000000000000, -0.0001390500000000 ] - [ 0.0007798600000000, -0.0001714400000000, -0.0002741400000000 ] - [ 0.0007798600000000, 0.0001714400000000, -0.0002741400000000 ] - [ 0.0020916300000000, 0.0000000000000000, 0.0012716300000000 ] - [ 0.0006953500000000, -0.0000467800000000, 0.0008149800000000 ] - [ 0.0006953500000000, 0.0000467800000000, 0.0008149800000000 ] - [ -0.0069573900000000, 0.0051936200000000, -0.0042727200000000 ] - [ -0.0069573900000000, -0.0051936200000000, -0.0042727200000000 ] - [ -0.0034949300000000, 0.0000000000000000, 0.0022255500000000 ] - [ -0.0051126900000000, 0.0000000000000000, 0.0064714800000000 ] - [ -0.0027807200000000, -0.0032781100000000, 0.0003562100000000 ] - [ -0.0027807200000000, 0.0032781100000000, 0.0003562100000000 ] - [ 0.0007767500000000, 0.0000000000000000, 0.0012488500000000 ] - [ -0.0006354000000000, -0.0003426800000000, 0.0005329700000000 ] - [ -0.0006354000000000, 0.0003426800000000, 0.0005329700000000 ] - [ -0.0005553200000000, 0.0013568200000000, 0.0042571900000000 ] - [ -0.0005553200000000, -0.0013568200000000, 0.0042571900000000 ] - [ 0.0003898500000000, 0.0000000000000000, 0.0010121900000000 ] - [ -0.0003312000000000, 0.0000946000000000, 0.0003957900000000 ] - [ -0.0003312000000000, -0.0000946000000000, 0.0003957900000000 ] - [ -0.0001802100000000, 0.0000000000000000, 0.0001348300000000 ] - [ 0.0003290700000000, 0.0000000000000000, 0.0009585100000000 ] - [ 0.0000794200000000, -0.0000506300000000, 0.0003213000000000 ] - [ 0.0000794200000000, 0.0000506300000000, 0.0003213000000000 ] - [ 0.0011835600000000, -0.0000546200000000, -0.0079821800000000 ] - [ 0.0011835600000000, 0.0000546200000000, -0.0079821800000000 ] - [ -0.0008360700000000, 0.0000000000000000, -0.0003155800000000 ] - [ 0.0051143800000000, 0.0012532300000000, 0.0010180300000000 ] - [ 0.0051143800000000, -0.0012532300000000, 0.0010180300000000 ] - [ -0.0009837000000000, 0.0000000000000000, -0.0002978100000000 ] - [ -0.0015536300000000, -0.0014415200000000, 0.0014472800000000 ] - [ -0.0015536300000000, 0.0014415200000000, 0.0014472800000000 ] - [ -0.0002910500000000, 0.0000000000000000, 0.0006085500000000 ] - [ 0.0047293600000000, 0.0000000000000000, 0.0040168000000000 ] - [ 0.0037296700000000, -0.0023962900000000, 0.0045735100000000 ] - [ 0.0037296700000000, 0.0023962900000000, 0.0045735100000000 ] - [ 0.0014757900000000, 0.0000000000000000, -0.0000747000000000 ] - [ 0.0012849500000000, -0.0001230400000000, -0.0000735900000000 ] - [ 0.0012849500000000, 0.0001230400000000, -0.0000735900000000 ] - [ 0.0003035000000000, 0.0000258000000000, 0.0005417300000000 ] - [ 0.0003035000000000, -0.0000258000000000, 0.0005417300000000 ] - [ 0.0000437300000000, 0.0000000000000000, 0.0003918100000000 ] - [ -0.0004136800000000, 0.0000000000000000, -0.0000254900000000 ] - [ -0.0000243400000000, 0.0000159900000000, 0.0000930800000000 ] - [ -0.0000243400000000, -0.0000159900000000, 0.0000930800000000 ] - [ 0.0061654100000000, -0.0009513300000000, -0.0065149700000000 ] - [ 0.0061654100000000, 0.0009513300000000, -0.0065149700000000 ] - [ -0.0000092500000000, 0.0000000000000000, -0.0007595700000000 ] - [ 0.0019685900000000, 0.0000000000000000, -0.0005937200000000 ] - [ 0.0018266300000000, 0.0011345000000000, -0.0002011500000000 ] - [ 0.0018266300000000, -0.0011345000000000, -0.0002011500000000 ] - [ 0.0076204400000000, -0.0001220000000000, 0.0067562000000000 ] - [ 0.0076204400000000, 0.0001220000000000, 0.0067562000000000 ] - [ 0.0005679000000000, 0.0000000000000000, 0.0002669700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002295200000000, -0.0000803500000000, 0.0001592700000000 ] - [ -0.0001739400000000, -0.0000809200000000, 0.0001009000000000 ] - [ -0.0002015700000000, 0.0001587300000000, 0.0001293400000000 ] - [ -0.0001154800000000, -0.0023006600000000, 0.0002319600000000 ] - [ -0.0001702900000000, 0.0010962300000000, 0.0009538900000000 ] - [ -0.0000581900000000, 0.0010972200000000, -0.0004870600000000 ] - [ 0.0002437300000000, -0.0004348700000000, -0.0012149800000000 ] - [ -0.0000147200000000, -0.0004381400000000, 0.0007525700000000 ] - [ 0.0001137500000000, 0.0009271000000000, -0.0002304400000000 ] - [ 0.0001993000000000, -0.0025850600000000, -0.0001330700000000 ] - [ 0.0007863700000000, 0.0012692900000000, -0.0007939100000000 ] - [ -0.0003822600000000, 0.0012714500000000, 0.0005288000000000 ] - [ -0.0054628200000000, -0.0023973600000000, -0.0170464000000000 ] - [ 0.0056501100000000, -0.0024191800000000, 0.0180109600000000 ] - [ 0.0000940700000000, 0.0072116000000000, 0.0004521700000000 ] - [ -0.0000171000000000, -0.0023061500000000, 0.0078867300000000 ] - [ 0.0009988100000000, -0.0024147200000000, -0.0081510700000000 ] - [ 0.0005132900000000, 0.0046410200000000, -0.0001274900000000 ] - [ -0.0002981600000000, -0.1141886800000000, 0.0006363000000000 ] - [ -0.0022913800000000, 0.0371736800000000, -0.0025201000000000 ] - [ 0.0023793100000000, 0.0368308700000000, 0.0043034000000000 ] - [ 0.0005284500000000, -0.0027401500000000, -0.0003615500000000 ] - [ -0.0002895500000000, 0.0010575900000000, -0.0030949700000000 ] - [ 0.0013097000000000, 0.0010830200000000, 0.0022041600000000 ] - [ 0.0005067800000000, -0.0006733700000000, 0.0000652500000000 ] - [ 0.0004350600000000, 0.0003334700000000, 0.0004576200000000 ] - [ 0.0005795000000000, 0.0003393200000000, -0.0003349100000000 ] - [ 0.0029472000000000, -0.0024102400000000, 0.0068054100000000 ] - [ -0.0039319400000000, -0.0025373100000000, -0.0069507800000000 ] - [ -0.0005130600000000, 0.0048752800000000, -0.0000690800000000 ] - [ -0.0002334900000000, -0.0003224900000000, 0.0007549200000000 ] - [ -0.0007838300000000, -0.0003338600000000, 0.0001398300000000 ] - [ -0.0005138400000000, 0.0006826900000000, 0.0004404400000000 ] - [ -0.0000407300000000, -0.0004953100000000, -0.0019616600000000 ] - [ -0.0000656300000000, -0.0004979200000000, 0.0001363800000000 ] - [ -0.0000539800000000, 0.0010114400000000, -0.0009119700000000 ] - [ -0.0005102900000000, -0.0006416500000000, 0.0001259600000000 ] - [ -0.0003584300000000, 0.0003200300000000, 0.0001017700000000 ] - [ -0.0006589200000000, 0.0003256800000000, 0.0001454500000000 ] - [ -0.0000982500000000, -0.0096032800000000, -0.0004381700000000 ] - [ 0.0014986000000000, 0.0046329800000000, 0.0036824500000000 ] - [ -0.0016713500000000, 0.0046350900000000, -0.0045402200000000 ] - [ -0.0000601600000000, 0.0004168400000000, -0.0001359200000000 ] - [ 0.0001462500000000, -0.0001489100000000, 0.0003816100000000 ] - [ -0.0002677900000000, -0.0001495000000000, -0.0006560900000000 ] - [ -0.0006430400000000, 0.0000825400000000, 0.0007570300000000 ] - [ -0.0003468200000000, 0.0000849200000000, -0.0002052400000000 ] - [ -0.0004920700000000, -0.0001319300000000, 0.0002665500000000 ] - [ 0.0001162400000000, -0.0000738800000000, 0.0003029200000000 ] - [ -0.0000659700000000, 0.0000445900000000, 0.0014624600000000 ] - [ 0.0002961900000000, 0.0000449100000000, -0.0008504600000000 ] - [ 0.0193876900000000, -0.0026048500000000, -0.0079126000000000 ] - [ -0.0196977800000000, -0.0025697100000000, 0.0073402900000000 ] - [ -0.0001369100000000, -0.0001133300000000, -0.0002988600000000 ] - [ 0.0004914700000000, 0.0004217800000000, -0.0002587900000000 ] - [ 0.0003483000000000, -0.0000648400000000, -0.0006657600000000 ] - [ 0.0006331000000000, -0.0000748600000000, 0.0001380100000000 ] - [ -0.0252812800000000, -0.0019201700000000, 0.0010556000000000 ] - [ 0.0255185100000000, -0.0018646000000000, -0.0007717700000000 ] - [ 0.0000901000000000, -0.0006414800000000, 0.0001369500000000 ] - [ -0.0007509900000000, 0.0036714400000000, -0.0006864400000000 ] - [ -0.0011256100000000, -0.0014595700000000, -0.0007023200000000 ] - [ -0.0003787300000000, -0.0014649300000000, -0.0006674100000000 ] - [ 0.0015418300000000, -0.0000236900000000, -0.0004348700000000 ] - [ 0.0009928800000000, -0.0000246500000000, 0.0003883300000000 ] - [ 0.0012640500000000, -0.0000197700000000, -0.0000178400000000 ] - [ 0.0000992100000000, -0.0001116200000000, 0.0004871100000000 ] - [ 0.0000966800000000, 0.0000317500000000, 0.0003146800000000 ] - [ 0.0001025000000000, 0.0000307600000000, 0.0006621600000000 ] - [ -0.0057114100000000, 0.0129460800000000, -0.0030621400000000 ] - [ 0.0061174100000000, 0.0138713900000000, 0.0035739400000000 ] - [ -0.0002767400000000, -0.0083090000000000, 0.0001937500000000 ] - [ 0.0002636400000000, 0.0101222700000000, -0.0000810800000000 ] - [ -0.0015158000000000, -0.0024532900000000, 0.0044634200000000 ] - [ 0.0019288400000000, -0.0024665800000000, -0.0044396900000000 ] - [ -0.0009332500000000, 0.0005561400000000, 0.0002116000000000 ] - [ -0.0001155300000000, 0.0005821000000000, 0.0009608200000000 ] - [ -0.0005262300000000, -0.0010194200000000, 0.0005927200000000 ] - [ -0.0006387200000000, 0.0001169000000000, -0.0018317000000000 ] - [ -0.0004649900000000, 0.0001181100000000, -0.0012954400000000 ] - [ -0.0005500800000000, -0.0002373100000000, -0.0015581700000000 ] - [ -0.0008574200000000, 0.0130050700000000, 0.0004076500000000 ] - [ -0.0012285500000000, -0.0047664900000000, -0.0047439400000000 ] - [ -0.0004053800000000, -0.0047548500000000, 0.0059355700000000 ] - [ 0.0001707600000000, 0.0004157400000000, -0.0005094700000000 ] - [ 0.0001587300000000, -0.0002033300000000, -0.0013120500000000 ] - [ 0.0001825700000000, -0.0002039100000000, 0.0002922600000000 ] - [ -0.0002954500000000, 0.0014421600000000, 0.0004968100000000 ] - [ -0.0007278000000000, -0.0006661000000000, -0.0005719400000000 ] - [ 0.0001278300000000, -0.0006669400000000, 0.0015612500000000 ] - [ 0.0006226000000000, 0.0075035200000000, 0.0020565600000000 ] - [ -0.0000266200000000, 0.0081352300000000, -0.0014054000000000 ] - [ 0.0005542900000000, -0.0074216500000000, 0.0001221700000000 ] - [ 0.0002584400000000, 0.0098375000000000, 0.0003247400000000 ] - [ 0.0036769000000000, -0.0020566200000000, 0.0033132000000000 ] - [ -0.0029565900000000, -0.0020701500000000, -0.0025196400000000 ] - [ -0.0004618400000000, 0.0004850100000000, -0.0000077700000000 ] - [ 0.0001412300000000, -0.0002295700000000, 0.0005315700000000 ] - [ -0.0010415300000000, -0.0002357500000000, -0.0005152800000000 ] - [ 0.0009722100000000, 0.0009082200000000, -0.0009690100000000 ] - [ -0.0000756700000000, 0.0009470700000000, 0.0009336900000000 ] - [ 0.0004489000000000, -0.0015614400000000, -0.0000068900000000 ] - [ -0.0000793300000000, 0.0002480100000000, -0.0003517900000000 ] - [ -0.0006056500000000, 0.0002529000000000, -0.0004232300000000 ] - [ -0.0003440400000000, -0.0004960600000000, -0.0003857900000000 ] - [ -0.0005336600000000, 0.0004585600000000, -0.0001356200000000 ] - [ -0.0001052900000000, -0.0002221200000000, -0.0011823700000000 ] - [ -0.0009598400000000, -0.0002230200000000, 0.0009052700000000 ] - [ -0.0034844300000000, 0.0011349400000000, 0.0076617500000000 ] - [ 0.0040951700000000, 0.0011179400000000, -0.0086667500000000 ] - [ 0.0003033900000000, -0.0004781500000000, -0.0005047600000000 ] - [ -0.0077610300000000, 0.0007384400000000, -0.0027452600000000 ] - [ 0.0074593300000000, 0.0007371400000000, 0.0037837100000000 ] - [ -0.0001644400000000, -0.0007734200000000, 0.0005121000000000 ] - [ 0.0031733300000000, 0.0016824800000000, -0.0004443600000000 ] - [ -0.0015456900000000, 0.0016892700000000, -0.0007863100000000 ] - [ 0.0008129000000000, -0.0031920700000000, -0.0006168200000000 ] - [ 0.0005422300000000, 0.0018599300000000, 0.0015551700000000 ] - [ 0.0003376400000000, -0.0007013200000000, 0.0015931900000000 ] - [ 0.0007564700000000, -0.0007240200000000, 0.0015162600000000 ] - [ 0.0005298000000000, 0.0000397900000000, -0.0005983000000000 ] - [ 0.0004586300000000, -0.0000461400000000, -0.0004265400000000 ] - [ 0.0005989100000000, -0.0000466200000000, -0.0007652700000000 ] - [ -0.0004616800000000, 0.0001447200000000, 0.0002058500000000 ] - [ 0.0000267100000000, 0.0001473200000000, -0.0001934200000000 ] - [ -0.0002155600000000, -0.0002912500000000, 0.0000067600000000 ] - [ 0.0002441800000000, 0.0005557700000000, -0.0001920600000000 ] - [ -0.0001354500000000, -0.0002788300000000, -0.0003409400000000 ] - [ 0.0006230400000000, -0.0002803000000000, -0.0000438300000000 ] - [ 0.0068078500000000, 0.0009242400000000, -0.0075444900000000 ] - [ -0.0070398400000000, 0.0009202400000000, 0.0065994100000000 ] - [ -0.0001058700000000, -0.0007812300000000, -0.0004843600000000 ] - [ -0.0012626900000000, 0.0010938500000000, 0.0000157500000000 ] - [ -0.0006780600000000, -0.0003479400000000, 0.0004516000000000 ] - [ -0.0018406900000000, -0.0003651800000000, -0.0004143900000000 ] - [ 0.0087215900000000, 0.0012282100000000, 0.0074781600000000 ] - [ -0.0072485400000000, 0.0012106900000000, -0.0061221400000000 ] - [ 0.0007427100000000, -0.0010462200000000, 0.0006743100000000 ]- atom: 19 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0005211400000000, -0.0000331400000000, 0.0016043400000000 ] - [ -0.0005211400000000, 0.0000331400000000, 0.0016043400000000 ] - [ -0.0004668200000000, 0.0000000000000000, 0.0013529200000000 ] - [ -0.0013939900000000, 0.0000000000000000, 0.0018145500000000 ] - [ -0.0011121700000000, 0.0009507100000000, 0.0008733300000000 ] - [ -0.0011121700000000, -0.0009507100000000, 0.0008733300000000 ] - [ -0.0008671400000000, -0.0005645000000000, -0.0010828900000000 ] - [ -0.0008671400000000, 0.0005645000000000, -0.0010828900000000 ] - [ 0.0000982500000000, 0.0000000000000000, -0.0007046100000000 ] - [ -0.0015907100000000, 0.0000000000000000, -0.0009419100000000 ] - [ 0.0000255000000000, -0.0007276000000000, -0.0010055600000000 ] - [ 0.0000255000000000, 0.0007276000000000, -0.0010055600000000 ] - [ -0.0027417300000000, -0.0230247200000000, 0.0197722700000000 ] - [ -0.0027417300000000, 0.0230247200000000, 0.0197722700000000 ] - [ 0.0004651300000000, 0.0000000000000000, -0.0005100200000000 ] - [ -0.0093640000000000, 0.0169112900000000, 0.0060469800000000 ] - [ -0.0093640000000000, -0.0169112900000000, 0.0060469800000000 ] - [ -0.0001449100000000, 0.0000000000000000, -0.0004275000000000 ] - [ 0.0087142400000000, 0.0000000000000000, -0.1116457000000000 ] - [ 0.0081314700000000, 0.0027002900000000, -0.0129661000000000 ] - [ 0.0081314700000000, -0.0027002900000000, -0.0129661000000000 ] - [ 0.0128421800000000, 0.0000000000000000, 0.0185546000000000 ] - [ 0.0019512200000000, -0.0026958100000000, 0.0001653200000000 ] - [ 0.0019512200000000, 0.0026958100000000, 0.0001653200000000 ] - [ 0.0002942300000000, 0.0000000000000000, 0.0057653300000000 ] - [ 0.0004692400000000, -0.0003116100000000, 0.0035354500000000 ] - [ 0.0004692400000000, 0.0003116100000000, 0.0035354500000000 ] - [ 0.0026082300000000, 0.0079717400000000, -0.0079773000000000 ] - [ 0.0026082300000000, -0.0079717400000000, -0.0079773000000000 ] - [ -0.0011512200000000, 0.0000000000000000, -0.0037684200000000 ] - [ 0.0002776900000000, 0.0009451600000000, 0.0037732800000000 ] - [ 0.0002776900000000, -0.0009451600000000, 0.0037732800000000 ] - [ -0.0006472100000000, 0.0000000000000000, 0.0025740400000000 ] - [ 0.0014187000000000, -0.0010240400000000, 0.0048884200000000 ] - [ 0.0014187000000000, 0.0010240400000000, 0.0048884200000000 ] - [ 0.0010485100000000, 0.0000000000000000, 0.0021880800000000 ] - [ -0.0009049000000000, 0.0000000000000000, 0.0048077200000000 ] - [ -0.0003885500000000, -0.0004842600000000, 0.0040980800000000 ] - [ -0.0003885500000000, 0.0004842600000000, 0.0040980800000000 ] - [ 0.0204509800000000, 0.0000000000000000, 0.0018256000000000 ] - [ 0.0025185600000000, 0.0014446700000000, -0.0026357300000000 ] - [ 0.0025185600000000, -0.0014446700000000, -0.0026357300000000 ] - [ 0.0017637100000000, 0.0000000000000000, 0.0064634400000000 ] - [ 0.0018245100000000, -0.0006041500000000, 0.0051609700000000 ] - [ 0.0018245100000000, 0.0006041500000000, 0.0051609700000000 ] - [ -0.0011279900000000, -0.0001473800000000, 0.0046946900000000 ] - [ -0.0011279900000000, 0.0001473800000000, 0.0046946900000000 ] - [ -0.0005932600000000, 0.0000000000000000, 0.0023992600000000 ] - [ 0.0008908400000000, 0.0000000000000000, 0.0040094600000000 ] - [ 0.0008055200000000, 0.0000889700000000, 0.0012027700000000 ] - [ 0.0008055200000000, -0.0000889700000000, 0.0012027700000000 ] - [ -0.0149730300000000, -0.0011190800000000, 0.0019882300000000 ] - [ -0.0149730300000000, 0.0011190800000000, 0.0019882300000000 ] - [ -0.0011052100000000, 0.0000000000000000, -0.0025074200000000 ] - [ -0.0021384500000000, 0.0000000000000000, 0.0009908000000000 ] - [ -0.0018663400000000, 0.0010476200000000, 0.0008131100000000 ] - [ -0.0018663400000000, -0.0010476200000000, 0.0008131100000000 ] - [ -0.0054588200000000, 0.0005115600000000, -0.0050164700000000 ] - [ -0.0054588200000000, -0.0005115600000000, -0.0050164700000000 ] - [ 0.0015393300000000, 0.0000000000000000, -0.0035566500000000 ] - [ -0.0013059900000000, 0.0000000000000000, -0.0063444100000000 ] - [ -0.0008307800000000, -0.0046286100000000, -0.0061598300000000 ] - [ -0.0008307800000000, 0.0046286100000000, -0.0061598300000000 ] - [ 0.0024006000000000, 0.0001831500000000, -0.0030527100000000 ] - [ 0.0024006000000000, -0.0001831500000000, -0.0030527100000000 ] - [ 0.0016895900000000, 0.0000000000000000, -0.0013648700000000 ] - [ 0.0001502800000000, 0.0000000000000000, -0.0044329600000000 ] - [ 0.0000117500000000, 0.0004395100000000, -0.0036641400000000 ] - [ 0.0000117500000000, -0.0004395100000000, -0.0036641400000000 ] - [ 0.0004621400000000, -0.0033619700000000, 0.0075699400000000 ] - [ 0.0004621400000000, 0.0033619700000000, 0.0075699400000000 ] - [ -0.0030482100000000, 0.0000000000000000, 0.0018722700000000 ] - [ 0.0061618800000000, 0.0000000000000000, -0.0101665100000000 ] - [ -0.0024534500000000, 0.0039134500000000, 0.0035884000000000 ] - [ -0.0024534500000000, -0.0039134500000000, 0.0035884000000000 ] - [ -0.0002189700000000, -0.0023777600000000, -0.0028070300000000 ] - [ -0.0002189700000000, 0.0023777600000000, -0.0028070300000000 ] - [ 0.0000698700000000, 0.0000000000000000, -0.0009302300000000 ] - [ -0.0016378700000000, 0.0000673800000000, -0.0044660800000000 ] - [ -0.0016378700000000, -0.0000673800000000, -0.0044660800000000 ] - [ -0.0010614800000000, 0.0000000000000000, -0.0030936300000000 ] - [ 0.0033921300000000, 0.0000000000000000, 0.0381015400000000 ] - [ -0.0037636400000000, -0.0033422200000000, 0.0052008200000000 ] - [ -0.0037636400000000, 0.0033422200000000, 0.0052008200000000 ] - [ -0.0003227000000000, 0.0000000000000000, -0.0045706300000000 ] - [ 0.0001894900000000, -0.0001651000000000, -0.0025006300000000 ] - [ 0.0001894900000000, 0.0001651000000000, -0.0025006300000000 ] - [ -0.0051520200000000, 0.0000000000000000, -0.0021200200000000 ] - [ -0.0005937100000000, -0.0002975700000000, -0.0000097400000000 ] - [ -0.0005937100000000, 0.0002975700000000, -0.0000097400000000 ] - [ -0.0027659400000000, 0.0015057000000000, 0.0083368500000000 ] - [ -0.0027659400000000, -0.0015057000000000, 0.0083368500000000 ] - [ -0.0001072100000000, 0.0000000000000000, 0.0025680300000000 ] - [ -0.0097341900000000, 0.0000000000000000, 0.0037612000000000 ] - [ 0.0017866600000000, 0.0007918600000000, 0.0028105300000000 ] - [ 0.0017866600000000, -0.0007918600000000, 0.0028105300000000 ] - [ -0.0021219000000000, 0.0000000000000000, -0.0059441900000000 ] - [ -0.0001409500000000, 0.0004011600000000, -0.0018632400000000 ] - [ -0.0001409500000000, -0.0004011600000000, -0.0018632400000000 ] - [ -0.0019859400000000, -0.0036056700000000, -0.0004225600000000 ] - [ -0.0019859400000000, 0.0036056700000000, -0.0004225600000000 ] - [ -0.0008367000000000, 0.0000000000000000, 0.0000830600000000 ] - [ -0.0010570000000000, -0.0002401400000000, -0.0027308200000000 ] - [ -0.0010570000000000, 0.0002401400000000, -0.0027308200000000 ] - [ -0.0008881300000000, 0.0000000000000000, -0.0020539700000000 ] - [ -0.0004624600000000, 0.0000000000000000, -0.0030054500000000 ] - [ -0.0010255100000000, -0.0005690900000000, -0.0008778700000000 ] - [ -0.0010255100000000, 0.0005690900000000, -0.0008778700000000 ] - [ 0.0038522400000000, 0.0007241000000000, -0.0011962200000000 ] - [ 0.0038522400000000, -0.0007241000000000, -0.0011962200000000 ] - [ 0.0006762700000000, 0.0000000000000000, 0.0012494800000000 ] - [ 0.0071226800000000, -0.0000390400000000, 0.0075914400000000 ] - [ 0.0071226800000000, 0.0000390400000000, 0.0075914400000000 ] - [ 0.0006228300000000, 0.0000000000000000, 0.0032046400000000 ] - [ -0.0036244200000000, 0.0026837500000000, -0.0032843500000000 ] - [ -0.0036244200000000, -0.0026837500000000, -0.0032843500000000 ] - [ -0.0001070900000000, 0.0000000000000000, -0.0016413300000000 ] - [ 0.0008697000000000, 0.0000000000000000, 0.0015693300000000 ] - [ 0.0007855300000000, 0.0014600800000000, 0.0011448700000000 ] - [ 0.0007855300000000, -0.0014600800000000, 0.0011448700000000 ] - [ 0.0012991500000000, 0.0000000000000000, -0.0025918400000000 ] - [ 0.0011185500000000, -0.0000837100000000, -0.0023735900000000 ] - [ 0.0011185500000000, 0.0000837100000000, -0.0023735900000000 ] - [ 0.0000716700000000, -0.0001620400000000, -0.0023640300000000 ] - [ 0.0000716700000000, 0.0001620400000000, -0.0023640300000000 ] - [ 0.0000547500000000, 0.0000000000000000, -0.0017994500000000 ] - [ -0.0013336100000000, 0.0000000000000000, -0.0022638300000000 ] - [ -0.0008668600000000, -0.0004418500000000, -0.0015012600000000 ] - [ -0.0008668600000000, 0.0004418500000000, -0.0015012600000000 ] - [ 0.0007064600000000, -0.0020694400000000, 0.0033395500000000 ] - [ 0.0007064600000000, 0.0020694400000000, 0.0033395500000000 ] - [ -0.0008979400000000, 0.0000000000000000, 0.0024953000000000 ] - [ 0.0019234800000000, 0.0000000000000000, -0.0017242600000000 ] - [ 0.0026188500000000, 0.0026671600000000, -0.0011660900000000 ] - [ 0.0026188500000000, -0.0026671600000000, -0.0011660900000000 ] - [ 0.0042378800000000, 0.0017359200000000, 0.0066729600000000 ] - [ 0.0042378800000000, -0.0017359200000000, 0.0066729600000000 ] - [ 0.0004805400000000, 0.0000000000000000, 0.0029624700000000 ]- atom: 19 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0001181600000000, 0.0000328700000000, -0.0013552800000000 ] - [ 0.0001181600000000, -0.0000328700000000, -0.0013552800000000 ] - [ 0.0000640300000000, 0.0000000000000000, -0.0010975400000000 ] - [ 0.0011634400000000, 0.0000000000000000, -0.0013509300000000 ] - [ 0.0008839000000000, -0.0009493400000000, -0.0004142700000000 ] - [ 0.0008839000000000, 0.0009493400000000, -0.0004142700000000 ] - [ 0.0010918500000000, 0.0005628100000000, 0.0006152800000000 ] - [ 0.0010918500000000, -0.0005628100000000, 0.0006152800000000 ] - [ 0.0001294100000000, 0.0000000000000000, 0.0002398500000000 ] - [ 0.0020095500000000, 0.0000000000000000, 0.0006998700000000 ] - [ 0.0003779700000000, 0.0007266500000000, 0.0007600800000000 ] - [ 0.0003779700000000, -0.0007266500000000, 0.0007600800000000 ] - [ 0.0029044900000000, 0.0228277300000000, -0.0187314600000000 ] - [ 0.0029044900000000, -0.0228277300000000, -0.0187314600000000 ] - [ -0.0002743600000000, 0.0000000000000000, 0.0013532300000000 ] - [ 0.0105146800000000, -0.0170949600000000, -0.0063412700000000 ] - [ 0.0105146800000000, 0.0170949600000000, -0.0063412700000000 ] - [ 0.0011680300000000, 0.0000000000000000, 0.0002041100000000 ] - [ -0.0089271600000000, 0.0000000000000000, 0.1107107700000000 ] - [ -0.0079952400000000, -0.0028311700000000, 0.0148227000000000 ] - [ -0.0079952400000000, 0.0028311700000000, 0.0148227000000000 ] - [ -0.0120241100000000, 0.0000000000000000, -0.0195552700000000 ] - [ -0.0009437000000000, 0.0027081000000000, -0.0010241500000000 ] - [ -0.0009437000000000, -0.0027081000000000, -0.0010241500000000 ] - [ 0.0007190500000000, 0.0000000000000000, -0.0056729300000000 ] - [ 0.0005428300000000, 0.0003169500000000, -0.0034358500000000 ] - [ 0.0005428300000000, -0.0003169500000000, -0.0034358500000000 ] - [ -0.0035836900000000, -0.0079131000000000, 0.0079118400000000 ] - [ -0.0035836900000000, 0.0079131000000000, 0.0079118400000000 ] - [ 0.0001422700000000, 0.0000000000000000, 0.0036816000000000 ] - [ -0.0013054700000000, -0.0009530500000000, -0.0028927400000000 ] - [ -0.0013054700000000, 0.0009530500000000, -0.0028927400000000 ] - [ -0.0003745900000000, 0.0000000000000000, -0.0016961200000000 ] - [ -0.0015296200000000, 0.0010206700000000, -0.0067426300000000 ] - [ -0.0015296200000000, -0.0010206700000000, -0.0067426300000000 ] - [ -0.0011566000000000, 0.0000000000000000, -0.0040496100000000 ] - [ -0.0001030800000000, 0.0000000000000000, -0.0045777200000000 ] - [ -0.0006241500000000, 0.0004904600000000, -0.0038667600000000 ] - [ -0.0006241500000000, -0.0004904600000000, -0.0038667600000000 ] - [ -0.0205676100000000, 0.0000000000000000, -0.0027147000000000 ] - [ -0.0027096900000000, -0.0014495500000000, 0.0017328100000000 ] - [ -0.0027096900000000, 0.0014495500000000, 0.0017328100000000 ] - [ -0.0018818200000000, 0.0000000000000000, -0.0067586900000000 ] - [ -0.0019384100000000, 0.0006012900000000, -0.0054493400000000 ] - [ -0.0019384100000000, -0.0006012900000000, -0.0054493400000000 ] - [ 0.0001433200000000, 0.0001480100000000, -0.0041772200000000 ] - [ 0.0001433200000000, -0.0001480100000000, -0.0041772200000000 ] - [ -0.0003940500000000, 0.0000000000000000, -0.0018682200000000 ] - [ -0.0006680600000000, 0.0000000000000000, -0.0034067700000000 ] - [ -0.0005806400000000, -0.0000883100000000, -0.0006112400000000 ] - [ -0.0005806400000000, 0.0000883100000000, -0.0006112400000000 ] - [ 0.0147833500000000, 0.0010373700000000, -0.0026140400000000 ] - [ 0.0147833500000000, -0.0010373700000000, -0.0026140400000000 ] - [ 0.0008981400000000, 0.0000000000000000, 0.0018953300000000 ] - [ 0.0031568000000000, 0.0000000000000000, -0.0014882200000000 ] - [ 0.0028785500000000, -0.0010522300000000, -0.0013225000000000 ] - [ 0.0028785500000000, 0.0010522300000000, -0.0013225000000000 ] - [ 0.0054317100000000, -0.0005522200000000, 0.0053484700000000 ] - [ 0.0054317100000000, 0.0005522200000000, 0.0053484700000000 ] - [ -0.0014342400000000, 0.0000000000000000, 0.0038608900000000 ] - [ -0.0002065200000000, 0.0000000000000000, 0.0049922200000000 ] - [ -0.0006718400000000, 0.0046029400000000, 0.0047951500000000 ] - [ -0.0006718400000000, -0.0046029400000000, 0.0047951500000000 ] - [ 0.0001253200000000, -0.0001846000000000, 0.0030318400000000 ] - [ 0.0001253200000000, 0.0001846000000000, 0.0030318400000000 ] - [ 0.0008414500000000, 0.0000000000000000, 0.0013286200000000 ] - [ 0.0000449900000000, 0.0000000000000000, 0.0054255300000000 ] - [ 0.0001842900000000, -0.0004386400000000, 0.0046530800000000 ] - [ 0.0001842900000000, 0.0004386400000000, 0.0046530800000000 ] - [ -0.0008906600000000, 0.0033473800000000, -0.0072207200000000 ] - [ -0.0008906600000000, -0.0033473800000000, -0.0072207200000000 ] - [ 0.0025784500000000, 0.0000000000000000, -0.0014972100000000 ] - [ -0.0054926000000000, 0.0000000000000000, 0.0096215300000000 ] - [ 0.0029015500000000, -0.0039379900000000, -0.0036372600000000 ] - [ 0.0029015500000000, 0.0039379900000000, -0.0036372600000000 ] - [ -0.0008358100000000, 0.0023859700000000, 0.0040052400000000 ] - [ -0.0008358100000000, -0.0023859700000000, 0.0040052400000000 ] - [ -0.0011261400000000, 0.0000000000000000, 0.0021153100000000 ] - [ 0.0005437700000000, -0.0000659600000000, 0.0013613100000000 ] - [ 0.0005437700000000, 0.0000659600000000, 0.0013613100000000 ] - [ -0.0000366600000000, 0.0000000000000000, -0.0000206600000000 ] - [ -0.0042956200000000, 0.0000000000000000, -0.0339605200000000 ] - [ 0.0021276900000000, 0.0033396100000000, -0.0039494500000000 ] - [ 0.0021276900000000, -0.0033396100000000, -0.0039494500000000 ] - [ 0.0006674600000000, 0.0000000000000000, 0.0035671700000000 ] - [ 0.0001563500000000, 0.0001646200000000, 0.0015011400000000 ] - [ 0.0001563500000000, -0.0001646200000000, 0.0015011400000000 ] - [ 0.0045380300000000, 0.0000000000000000, 0.0031189900000000 ] - [ 0.0000018600000000, 0.0002979800000000, 0.0010143400000000 ] - [ 0.0000018600000000, -0.0002979800000000, 0.0010143400000000 ] - [ 0.0035294700000000, -0.0018538200000000, -0.0078183500000000 ] - [ 0.0035294700000000, 0.0018538200000000, -0.0078183500000000 ] - [ 0.0011522900000000, 0.0000000000000000, -0.0022772300000000 ] - [ 0.0102309000000000, 0.0000000000000000, -0.0032403300000000 ] - [ -0.0011059000000000, -0.0007838500000000, -0.0020676700000000 ] - [ -0.0011059000000000, 0.0007838500000000, -0.0020676700000000 ] - [ 0.0012323100000000, 0.0000000000000000, 0.0059955900000000 ] - [ -0.0007661900000000, -0.0004023100000000, 0.0018810000000000 ] - [ -0.0007661900000000, 0.0004023100000000, 0.0018810000000000 ] - [ 0.0029131000000000, 0.0036208400000000, 0.0003706800000000 ] - [ 0.0029131000000000, -0.0036208400000000, 0.0003706800000000 ] - [ 0.0017483400000000, 0.0000000000000000, -0.0001157700000000 ] - [ 0.0003764400000000, 0.0002442000000000, 0.0019683500000000 ] - [ 0.0003764400000000, -0.0002442000000000, 0.0019683500000000 ] - [ 0.0002086800000000, 0.0000000000000000, 0.0012907600000000 ] - [ -0.0006008600000000, 0.0000000000000000, 0.0027345700000000 ] - [ -0.0000402900000000, 0.0005679800000000, 0.0006188400000000 ] - [ -0.0000402900000000, -0.0005679800000000, 0.0006188400000000 ] - [ -0.0032689800000000, -0.0006915000000000, 0.0002526800000000 ] - [ -0.0032689800000000, 0.0006915000000000, 0.0002526800000000 ] - [ -0.0000850200000000, 0.0000000000000000, -0.0022318100000000 ] - [ -0.0074728600000000, 0.0000448500000000, -0.0065836500000000 ] - [ -0.0074728600000000, -0.0000448500000000, -0.0065836500000000 ] - [ -0.0009704100000000, 0.0000000000000000, -0.0022006900000000 ] - [ 0.0052501900000000, -0.0026862900000000, 0.0020700800000000 ] - [ 0.0052501900000000, 0.0026862900000000, 0.0020700800000000 ] - [ 0.0017399700000000, 0.0000000000000000, 0.0004331900000000 ] - [ 0.0001989700000000, 0.0000000000000000, 0.0015156700000000 ] - [ 0.0002951600000000, -0.0014499000000000, 0.0019436900000000 ] - [ 0.0002951600000000, 0.0014499000000000, 0.0019436900000000 ] - [ -0.0002469900000000, 0.0000000000000000, 0.0013980000000000 ] - [ -0.0000650100000000, 0.0000834300000000, 0.0011821000000000 ] - [ -0.0000650100000000, -0.0000834300000000, 0.0011821000000000 ] - [ -0.0005084200000000, 0.0001631900000000, 0.0023873300000000 ] - [ -0.0005084200000000, -0.0001631900000000, 0.0023873300000000 ] - [ -0.0004934500000000, 0.0000000000000000, 0.0018245100000000 ] - [ 0.0018199100000000, 0.0000000000000000, 0.0018886300000000 ] - [ 0.0013516400000000, 0.0004401000000000, 0.0011251300000000 ] - [ 0.0013516400000000, -0.0004401000000000, 0.0011251300000000 ] - [ -0.0008795100000000, 0.0020976400000000, -0.0043962000000000 ] - [ -0.0008795100000000, -0.0020976400000000, -0.0043962000000000 ] - [ 0.0007019900000000, 0.0000000000000000, -0.0035016300000000 ] - [ -0.0044895500000000, 0.0000000000000000, 0.0017558000000000 ] - [ -0.0051892500000000, -0.0026912900000000, 0.0011977200000000 ] - [ -0.0051892500000000, 0.0026912900000000, 0.0011977200000000 ] - [ -0.0026879000000000, -0.0017261900000000, -0.0052811400000000 ] - [ -0.0026879000000000, 0.0017261900000000, -0.0052811400000000 ] - [ 0.0010261900000000, 0.0000000000000000, -0.0016045700000000 ]- atom: 22 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0001698100000000, -0.0000615300000000, -0.0009515000000000 ] - [ 0.0001698100000000, 0.0000615300000000, -0.0009515000000000 ] - [ -0.0003183100000000, 0.0000000000000000, 0.0000095400000000 ] - [ -0.0003807200000000, 0.0000000000000000, 0.0002069600000000 ] - [ -0.0002033200000000, -0.0000788400000000, 0.0001327500000000 ] - [ -0.0002033200000000, 0.0000788400000000, 0.0001327500000000 ] - [ 0.0007702200000000, 0.0000794500000000, -0.0003465600000000 ] - [ 0.0007702200000000, -0.0000794500000000, -0.0003465600000000 ] - [ 0.0003346100000000, 0.0000000000000000, -0.0002675700000000 ] - [ 0.0029628100000000, 0.0000000000000000, -0.0000173600000000 ] - [ 0.0011905900000000, 0.0004972500000000, -0.0000090400000000 ] - [ 0.0011905900000000, -0.0004972500000000, -0.0000090400000000 ] - [ -0.0008105200000000, -0.0001704100000000, 0.0006778800000000 ] - [ -0.0008105200000000, 0.0001704100000000, 0.0006778800000000 ] - [ -0.0003205100000000, 0.0000000000000000, 0.0004698000000000 ] - [ 0.0211600400000000, -0.0170574200000000, 0.0045334500000000 ] - [ 0.0211600400000000, 0.0170574200000000, 0.0045334500000000 ] - [ 0.0009043800000000, 0.0000000000000000, -0.0011069700000000 ] - [ -0.0102928000000000, 0.0000000000000000, 0.0115005500000000 ] - [ -0.0026615100000000, 0.0008347800000000, 0.0017708100000000 ] - [ -0.0026615100000000, -0.0008347800000000, 0.0017708100000000 ] - [ -0.1140738900000000, 0.0000000000000000, -0.0076165800000000 ] - [ -0.0178166600000000, -0.0018954900000000, 0.0033606500000000 ] - [ -0.0178166600000000, 0.0018954900000000, 0.0033606500000000 ] - [ -0.0058175900000000, 0.0000000000000000, 0.0055681900000000 ] - [ -0.0020358200000000, 0.0004539000000000, 0.0000171800000000 ] - [ -0.0020358200000000, -0.0004539000000000, 0.0000171800000000 ] - [ 0.0079891200000000, 0.0094802500000000, -0.0162020700000000 ] - [ 0.0079891200000000, -0.0094802500000000, -0.0162020700000000 ] - [ 0.0002016000000000, 0.0000000000000000, -0.0003260200000000 ] - [ 0.0114671700000000, 0.0124202400000000, 0.0168926100000000 ] - [ 0.0114671700000000, -0.0124202400000000, 0.0168926100000000 ] - [ 0.0006110200000000, 0.0000000000000000, 0.0013067500000000 ] - [ 0.0009435100000000, 0.0002797400000000, 0.0001787900000000 ] - [ 0.0009435100000000, -0.0002797400000000, 0.0001787900000000 ] - [ 0.0003406700000000, 0.0000000000000000, -0.0009401800000000 ] - [ 0.0073086500000000, 0.0000000000000000, -0.0006231100000000 ] - [ 0.0030397100000000, 0.0010881200000000, -0.0006989800000000 ] - [ 0.0030397100000000, -0.0010881200000000, -0.0006989800000000 ] - [ 0.0006438700000000, 0.0000000000000000, 0.0009123100000000 ] - [ 0.0001779100000000, 0.0002790500000000, 0.0003450400000000 ] - [ 0.0001779100000000, -0.0002790500000000, 0.0003450400000000 ] - [ 0.0004970800000000, 0.0000000000000000, -0.0008594800000000 ] - [ 0.0003377800000000, -0.0000321700000000, -0.0005825900000000 ] - [ 0.0003377800000000, 0.0000321700000000, -0.0005825900000000 ] - [ 0.0084836500000000, -0.0000929400000000, -0.0187329100000000 ] - [ 0.0084836500000000, 0.0000929400000000, -0.0187329100000000 ] - [ -0.0019546500000000, 0.0000000000000000, 0.0012359400000000 ] - [ 0.0014907500000000, 0.0000000000000000, 0.0009207000000000 ] - [ 0.0003098400000000, -0.0000401700000000, 0.0004821300000000 ] - [ 0.0003098400000000, 0.0000401700000000, 0.0004821300000000 ] - [ -0.0032579400000000, 0.0003329200000000, -0.0013475400000000 ] - [ -0.0032579400000000, -0.0003329200000000, -0.0013475400000000 ] - [ -0.0010749500000000, 0.0000000000000000, -0.0006698500000000 ] - [ 0.0102438700000000, 0.0000000000000000, 0.0001560100000000 ] - [ 0.0056472600000000, -0.0004408000000000, 0.0000936600000000 ] - [ 0.0056472600000000, 0.0004408000000000, 0.0000936600000000 ] - [ -0.0003809100000000, -0.0004048700000000, 0.0033985300000000 ] - [ -0.0003809100000000, 0.0004048700000000, 0.0033985300000000 ] - [ 0.0001640000000000, 0.0000000000000000, 0.0007482000000000 ] - [ -0.0006730100000000, 0.0000000000000000, -0.0004840600000000 ] - [ -0.0007183800000000, -0.0000024000000000, -0.0005660600000000 ] - [ -0.0007183800000000, 0.0000024000000000, -0.0005660600000000 ] - [ -0.0064271000000000, -0.0005893400000000, 0.0046196000000000 ] - [ -0.0064271000000000, 0.0005893400000000, 0.0046196000000000 ] - [ 0.0021347600000000, 0.0000000000000000, 0.0003261500000000 ] - [ -0.0008808400000000, 0.0000000000000000, 0.0010244300000000 ] - [ -0.0003521400000000, -0.0002902700000000, 0.0009039100000000 ] - [ -0.0003521400000000, 0.0002902700000000, 0.0009039100000000 ] - [ 0.0009886700000000, 0.0006754900000000, -0.0016346200000000 ] - [ 0.0009886700000000, -0.0006754900000000, -0.0016346200000000 ] - [ -0.0000677400000000, 0.0000000000000000, -0.0002842500000000 ] - [ -0.0037961000000000, 0.0000000000000000, -0.0035009600000000 ] - [ 0.0036600100000000, -0.0042401600000000, -0.0008582900000000 ] - [ 0.0036600100000000, 0.0042401600000000, -0.0008582900000000 ] - [ -0.0002720300000000, 0.0053035900000000, 0.0033051800000000 ] - [ -0.0002720300000000, -0.0053035900000000, 0.0033051800000000 ] - [ 0.0031726500000000, 0.0000000000000000, -0.0024512300000000 ] - [ 0.0025838200000000, -0.0007144800000000, 0.0072462000000000 ] - [ 0.0025838200000000, 0.0007144800000000, 0.0072462000000000 ] - [ 0.0001562900000000, 0.0000000000000000, -0.0014643400000000 ] - [ -0.0016593300000000, 0.0000000000000000, -0.0009422300000000 ] - [ -0.0008482100000000, 0.0000017200000000, 0.0002431600000000 ] - [ -0.0008482100000000, -0.0000017200000000, 0.0002431600000000 ] - [ -0.0008916900000000, 0.0000000000000000, -0.0030229400000000 ] - [ 0.0000065200000000, 0.0001882500000000, -0.0007116700000000 ] - [ 0.0000065200000000, -0.0001882500000000, -0.0007116700000000 ] - [ -0.0012115000000000, 0.0000000000000000, -0.0002685600000000 ] - [ -0.0006044600000000, 0.0000331000000000, 0.0003284200000000 ] - [ -0.0006044600000000, -0.0000331000000000, 0.0003284200000000 ] - [ 0.0031394100000000, 0.0007292400000000, 0.0000169300000000 ] - [ 0.0031394100000000, -0.0007292400000000, 0.0000169300000000 ] - [ 0.0015859800000000, 0.0000000000000000, 0.0001121000000000 ] - [ 0.0144034000000000, 0.0000000000000000, -0.0026834300000000 ] - [ 0.0027152400000000, 0.0028071200000000, 0.0011397400000000 ] - [ 0.0027152400000000, -0.0028071200000000, 0.0011397400000000 ] - [ 0.0131860400000000, 0.0000000000000000, 0.0047396900000000 ] - [ 0.0017980600000000, 0.0020564700000000, -0.0014590600000000 ] - [ 0.0017980600000000, -0.0020564700000000, -0.0014590600000000 ] - [ 0.0248610200000000, 0.0085053700000000, 0.0004023800000000 ] - [ 0.0248610200000000, -0.0085053700000000, 0.0004023800000000 ] - [ 0.0017569200000000, 0.0000000000000000, 0.0000833400000000 ] - [ 0.0013866900000000, -0.0009725000000000, -0.0033788700000000 ] - [ 0.0013866900000000, 0.0009725000000000, -0.0033788700000000 ] - [ 0.0002121900000000, 0.0000000000000000, -0.0012577300000000 ] - [ -0.0012991100000000, 0.0000000000000000, -0.0004864800000000 ] - [ -0.0008153100000000, 0.0001901800000000, -0.0003915200000000 ] - [ -0.0008153100000000, -0.0001901800000000, -0.0003915200000000 ] - [ 0.0013361800000000, -0.0001120800000000, 0.0002850700000000 ] - [ 0.0013361800000000, 0.0001120800000000, 0.0002850700000000 ] - [ 0.0006241900000000, 0.0000000000000000, -0.0003219700000000 ] - [ 0.0011090500000000, -0.0003245900000000, 0.0043068000000000 ] - [ 0.0011090500000000, 0.0003245900000000, 0.0043068000000000 ] - [ 0.0001364100000000, 0.0000000000000000, 0.0011105900000000 ] - [ 0.0010043900000000, 0.0001151100000000, -0.0012300200000000 ] - [ 0.0010043900000000, -0.0001151100000000, -0.0012300200000000 ] - [ 0.0009807400000000, 0.0000000000000000, -0.0008925400000000 ] - [ -0.0043555800000000, 0.0000000000000000, 0.0015067000000000 ] - [ -0.0021073000000000, 0.0014132300000000, 0.0002466100000000 ] - [ -0.0021073000000000, -0.0014132300000000, 0.0002466100000000 ] - [ -0.0060056000000000, 0.0000000000000000, -0.0018929400000000 ] - [ -0.0026536600000000, 0.0020269000000000, 0.0002892700000000 ] - [ -0.0026536600000000, -0.0020269000000000, 0.0002892700000000 ] - [ -0.0041011900000000, 0.0005797000000000, -0.0007749800000000 ] - [ -0.0041011900000000, -0.0005797000000000, -0.0007749800000000 ] - [ -0.0014680500000000, 0.0000000000000000, 0.0001896900000000 ] - [ -0.0003095200000000, 0.0000000000000000, -0.0001920800000000 ] - [ -0.0001360300000000, 0.0002400700000000, -0.0001563200000000 ] - [ -0.0001360300000000, -0.0002400700000000, -0.0001563200000000 ] - [ -0.0021166400000000, 0.0012201100000000, -0.0044670600000000 ] - [ -0.0021166400000000, -0.0012201100000000, -0.0044670600000000 ] - [ -0.0003544700000000, 0.0000000000000000, -0.0008745700000000 ] - [ -0.0094837600000000, 0.0000000000000000, 0.0012049100000000 ] - [ -0.0070437400000000, -0.0028258600000000, 0.0005583700000000 ] - [ -0.0070437400000000, 0.0028258600000000, 0.0005583700000000 ] - [ 0.0001397400000000, -0.0000771200000000, -0.0013647300000000 ] - [ 0.0001397400000000, 0.0000771200000000, -0.0013647300000000 ] - [ 0.0005318300000000, 0.0000000000000000, 0.0002933600000000 ]- atom: 22 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0005766400000000, 0.0000604800000000, 0.0011910000000000 ] - [ -0.0005766400000000, -0.0000604800000000, 0.0011910000000000 ] - [ -0.0000901100000000, 0.0000000000000000, 0.0002350900000000 ] - [ 0.0001517700000000, 0.0000000000000000, 0.0002589800000000 ] - [ -0.0000257200000000, 0.0000783800000000, 0.0003241000000000 ] - [ -0.0000257200000000, -0.0000783800000000, 0.0003241000000000 ] - [ -0.0005385400000000, -0.0000799600000000, -0.0001022000000000 ] - [ -0.0005385400000000, 0.0000799600000000, -0.0001022000000000 ] - [ -0.0001054900000000, 0.0000000000000000, -0.0001876000000000 ] - [ -0.0025468600000000, 0.0000000000000000, -0.0002220000000000 ] - [ -0.0007755400000000, -0.0004918600000000, -0.0002363600000000 ] - [ -0.0007755400000000, 0.0004918600000000, -0.0002363600000000 ] - [ 0.0009933200000000, 0.0001659600000000, 0.0001972800000000 ] - [ 0.0009933200000000, -0.0001659600000000, 0.0001972800000000 ] - [ 0.0005087600000000, 0.0000000000000000, 0.0004045800000000 ] - [ -0.0199302800000000, 0.0168257100000000, -0.0047455200000000 ] - [ -0.0199302800000000, -0.0168257100000000, -0.0047455200000000 ] - [ 0.0001231800000000, 0.0000000000000000, 0.0008622300000000 ] - [ 0.0102822900000000, 0.0000000000000000, -0.0095908800000000 ] - [ 0.0027491200000000, -0.0008313400000000, 0.0000868400000000 ] - [ 0.0027491200000000, 0.0008313400000000, 0.0000868400000000 ] - [ 0.1162207500000000, 0.0000000000000000, 0.0069860500000000 ] - [ 0.0187565800000000, 0.0018115600000000, -0.0042328600000000 ] - [ 0.0187565800000000, -0.0018115600000000, -0.0042328600000000 ] - [ 0.0067687000000000, 0.0000000000000000, -0.0053654000000000 ] - [ 0.0030323300000000, -0.0004643400000000, 0.0000921400000000 ] - [ 0.0030323300000000, 0.0004643400000000, 0.0000921400000000 ] - [ -0.0089679300000000, -0.0095165000000000, 0.0161444400000000 ] - [ -0.0089679300000000, 0.0095165000000000, 0.0161444400000000 ] - [ -0.0012155500000000, 0.0000000000000000, 0.0002091200000000 ] - [ -0.0124568400000000, -0.0124605100000000, -0.0161036400000000 ] - [ -0.0124568400000000, 0.0124605100000000, -0.0161036400000000 ] - [ -0.0016303400000000, 0.0000000000000000, -0.0004258500000000 ] - [ -0.0010404700000000, -0.0002787700000000, -0.0020152900000000 ] - [ -0.0010404700000000, 0.0002787700000000, -0.0020152900000000 ] - [ -0.0004466000000000, 0.0000000000000000, -0.0009041500000000 ] - [ -0.0083126300000000, 0.0000000000000000, 0.0008167500000000 ] - [ -0.0040382600000000, -0.0010783700000000, 0.0009268100000000 ] - [ -0.0040382600000000, 0.0010783700000000, 0.0009268100000000 ] - [ -0.0008281000000000, 0.0000000000000000, -0.0017699400000000 ] - [ -0.0003662200000000, -0.0002757000000000, -0.0012076100000000 ] - [ -0.0003662200000000, 0.0002757000000000, -0.0012076100000000 ] - [ -0.0006107500000000, 0.0000000000000000, 0.0005581500000000 ] - [ -0.0004559900000000, 0.0000322000000000, 0.0002873300000000 ] - [ -0.0004559900000000, -0.0000322000000000, 0.0002873300000000 ] - [ -0.0094296700000000, 0.0000575200000000, 0.0191639900000000 ] - [ -0.0094296700000000, -0.0000575200000000, 0.0191639900000000 ] - [ 0.0009633300000000, 0.0000000000000000, -0.0007182000000000 ] - [ -0.0012568000000000, 0.0000000000000000, -0.0003082600000000 ] - [ -0.0000825500000000, 0.0000398800000000, 0.0001271100000000 ] - [ -0.0000825500000000, -0.0000398800000000, 0.0001271100000000 ] - [ 0.0030170500000000, -0.0003289400000000, 0.0007331600000000 ] - [ 0.0030170500000000, 0.0003289400000000, 0.0007331600000000 ] - [ 0.0008429900000000, 0.0000000000000000, 0.0000647600000000 ] - [ -0.0092547900000000, 0.0000000000000000, -0.0006820100000000 ] - [ -0.0046097200000000, 0.0004394200000000, -0.0006241300000000 ] - [ -0.0046097200000000, -0.0004394200000000, -0.0006241300000000 ] - [ 0.0004989600000000, 0.0004017200000000, -0.0030734400000000 ] - [ 0.0004989600000000, -0.0004017200000000, -0.0030734400000000 ] - [ -0.0000408000000000, 0.0000000000000000, -0.0004469300000000 ] - [ -0.0008401000000000, 0.0000000000000000, -0.0008745300000000 ] - [ -0.0007936600000000, 0.0000019200000000, -0.0007958400000000 ] - [ -0.0007936600000000, -0.0000019200000000, -0.0007958400000000 ] - [ 0.0089422000000000, 0.0006091800000000, -0.0046384300000000 ] - [ 0.0089422000000000, -0.0006091800000000, -0.0046384300000000 ] - [ 0.0003919200000000, 0.0000000000000000, -0.0003622400000000 ] - [ 0.0010713900000000, 0.0000000000000000, -0.0000135900000000 ] - [ 0.0005410900000000, 0.0002889500000000, 0.0000947000000000 ] - [ 0.0005410900000000, -0.0002889500000000, 0.0000947000000000 ] - [ -0.0014665300000000, -0.0006714200000000, 0.0019954100000000 ] - [ -0.0014665300000000, 0.0006714200000000, 0.0019954100000000 ] - [ -0.0004195500000000, 0.0000000000000000, 0.0006577300000000 ] - [ 0.0045405000000000, 0.0000000000000000, 0.0036406300000000 ] - [ -0.0031993300000000, 0.0042076200000000, 0.0008239600000000 ] - [ -0.0031993300000000, -0.0042076200000000, 0.0008239600000000 ] - [ -0.0006341400000000, -0.0054598900000000, -0.0021967200000000 ] - [ -0.0006341400000000, 0.0054598900000000, -0.0021967200000000 ] - [ -0.0042223200000000, 0.0000000000000000, 0.0036360200000000 ] - [ -0.0036548400000000, 0.0007060300000000, -0.0103079200000000 ] - [ -0.0036548400000000, -0.0007060300000000, -0.0103079200000000 ] - [ -0.0012367200000000, 0.0000000000000000, -0.0016356700000000 ] - [ 0.0000183700000000, 0.0000000000000000, 0.0021370300000000 ] - [ -0.0007855800000000, -0.0000021000000000, 0.0009722900000000 ] - [ -0.0007855800000000, 0.0000021000000000, 0.0009722900000000 ] - [ 0.0012358300000000, 0.0000000000000000, 0.0019916300000000 ] - [ 0.0003447400000000, -0.0001868200000000, -0.0003010000000000 ] - [ 0.0003447400000000, 0.0001868200000000, -0.0003010000000000 ] - [ 0.0006187800000000, 0.0000000000000000, 0.0012388900000000 ] - [ 0.0000160000000000, -0.0000323900000000, 0.0006468800000000 ] - [ 0.0000160000000000, 0.0000323900000000, 0.0006468800000000 ] - [ -0.0020546600000000, -0.0007268700000000, 0.0002511200000000 ] - [ -0.0020546600000000, 0.0007268700000000, 0.0002511200000000 ] - [ -0.0005147000000000, 0.0000000000000000, 0.0001526500000000 ] - [ -0.0138940900000000, 0.0000000000000000, 0.0038161700000000 ] - [ -0.0020237700000000, -0.0027999900000000, -0.0003661600000000 ] - [ -0.0020237700000000, 0.0027999900000000, -0.0003661600000000 ] - [ -0.0144006100000000, 0.0000000000000000, -0.0053734000000000 ] - [ -0.0026942300000000, -0.0020505400000000, 0.0014705000000000 ] - [ -0.0026942300000000, 0.0020505400000000, 0.0014705000000000 ] - [ -0.0247198200000000, -0.0095360900000000, -0.0003943600000000 ] - [ -0.0247198200000000, 0.0095360900000000, -0.0003943600000000 ] - [ -0.0008335000000000, 0.0000000000000000, -0.0001018000000000 ] - [ -0.0020630500000000, 0.0009404100000000, 0.0025928400000000 ] - [ -0.0020630500000000, -0.0009404100000000, 0.0025928400000000 ] - [ -0.0008926500000000, 0.0000000000000000, 0.0004896600000000 ] - [ 0.0002306900000000, 0.0000000000000000, 0.0002139000000000 ] - [ -0.0002517000000000, -0.0001888300000000, 0.0001197600000000 ] - [ -0.0002517000000000, 0.0001888300000000, 0.0001197600000000 ] - [ -0.0007448600000000, 0.0001133400000000, -0.0012600200000000 ] - [ -0.0007448600000000, -0.0001133400000000, -0.0012600200000000 ] - [ -0.0000352500000000, 0.0000000000000000, -0.0006602600000000 ] - [ -0.0014600000000000, 0.0003160600000000, -0.0032821400000000 ] - [ -0.0014600000000000, -0.0003160600000000, -0.0032821400000000 ] - [ -0.0004896600000000, 0.0000000000000000, -0.0000978000000000 ] - [ 0.0006298500000000, -0.0001138400000000, 0.0000022100000000 ] - [ 0.0006298500000000, 0.0001138400000000, 0.0000022100000000 ] - [ 0.0006532300000000, 0.0000000000000000, -0.0003322700000000 ] - [ 0.0054482300000000, 0.0000000000000000, 0.0015608700000000 ] - [ 0.0031682100000000, -0.0013981300000000, 0.0028564500000000 ] - [ 0.0031682100000000, 0.0013981300000000, 0.0028564500000000 ] - [ 0.0070761400000000, 0.0000000000000000, 0.0007682100000000 ] - [ 0.0036715800000000, -0.0020080800000000, -0.0014573700000000 ] - [ 0.0036715800000000, 0.0020080800000000, -0.0014573700000000 ] - [ 0.0036473200000000, -0.0005714700000000, 0.0007974900000000 ] - [ 0.0036473200000000, 0.0005714700000000, 0.0007974900000000 ] - [ 0.0010227800000000, 0.0000000000000000, -0.0001670200000000 ] - [ 0.0007917600000000, 0.0000000000000000, -0.0001859700000000 ] - [ 0.0006215300000000, -0.0002384300000000, -0.0002221400000000 ] - [ 0.0006215300000000, 0.0002384300000000, -0.0002221400000000 ] - [ 0.0019200000000000, -0.0012102800000000, 0.0034423200000000 ] - [ 0.0019200000000000, 0.0012102800000000, 0.0034423200000000 ] - [ 0.0001616100000000, 0.0000000000000000, -0.0001281600000000 ] - [ 0.0069368900000000, 0.0000000000000000, -0.0011529200000000 ] - [ 0.0044626200000000, 0.0027974800000000, -0.0005088700000000 ] - [ 0.0044626200000000, -0.0027974800000000, -0.0005088700000000 ] - [ 0.0013676400000000, 0.0000776300000000, 0.0027049900000000 ] - [ 0.0013676400000000, -0.0000776300000000, 0.0027049900000000 ] - [ 0.0009789000000000, 0.0000000000000000, 0.0010615500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006183900000000, -0.0002523700000000, 0.0009118400000000 ] - [ 0.0002131500000000, -0.0002534300000000, -0.0006710800000000 ] - [ -0.0002027800000000, 0.0005286200000000, 0.0001204000000000 ] - [ -0.0001126000000000, -0.0003996600000000, 0.0002346100000000 ] - [ -0.0000114600000000, 0.0001998700000000, 0.0001784300000000 ] - [ -0.0002119100000000, 0.0002013800000000, 0.0002798400000000 ] - [ 0.0004703500000000, -0.0001480700000000, -0.0005724400000000 ] - [ -0.0002440700000000, -0.0001494800000000, 0.0001022400000000 ] - [ 0.0001129500000000, 0.0002957300000000, -0.0002358100000000 ] - [ 0.0001994600000000, -0.0009230900000000, -0.0001190700000000 ] - [ 0.0001885700000000, 0.0004520900000000, -0.0000200400000000 ] - [ 0.0002202300000000, 0.0004562900000000, -0.0002203900000000 ] - [ -0.0004991600000000, -0.0005315200000000, 0.0002280000000000 ] - [ 0.0006872800000000, -0.0005438800000000, 0.0006245100000000 ] - [ 0.0000959800000000, 0.0010910200000000, 0.0004329900000000 ] - [ -0.0118512100000000, -0.0018673700000000, -0.0088549800000000 ] - [ 0.0128828600000000, -0.0019971400000000, 0.0087087100000000 ] - [ 0.0005220800000000, 0.0058418000000000, -0.0001074500000000 ] - [ 0.0000285300000000, -0.0027402800000000, 0.0008397200000000 ] - [ 0.0012192600000000, 0.0010585500000000, 0.0039921100000000 ] - [ -0.0010986500000000, 0.0010820500000000, -0.0021298100000000 ] - [ 0.0013495400000000, -0.1352792000000000, -0.0003864200000000 ] - [ 0.0023370800000000, 0.0379065800000000, 0.0014548100000000 ] - [ -0.0013231600000000, 0.0375341700000000, -0.0022821500000000 ] - [ 0.0005043300000000, -0.0066385800000000, 0.0000647100000000 ] - [ -0.0003244100000000, 0.0032901800000000, -0.0030239200000000 ] - [ 0.0013391900000000, 0.0032883100000000, 0.0031066400000000 ] - [ 0.0080084300000000, -0.0016089000000000, -0.0201880300000000 ] - [ -0.0090295100000000, -0.0017339400000000, 0.0202095900000000 ] - [ -0.0005180400000000, 0.0066668000000000, -0.0000377200000000 ] - [ 0.0116264400000000, -0.0004855000000000, 0.0208661100000000 ] - [ -0.0127431500000000, -0.0005121600000000, -0.0200654000000000 ] - [ -0.0005293200000000, 0.0063492000000000, 0.0004295000000000 ] - [ 0.0004116100000000, -0.0003274800000000, 0.0001571600000000 ] - [ -0.0005277800000000, -0.0003291400000000, -0.0020232400000000 ] - [ -0.0000585000000000, 0.0006828800000000, -0.0009314500000000 ] - [ -0.0005123200000000, -0.0060393900000000, 0.0001236700000000 ] - [ 0.0006954200000000, 0.0029046600000000, -0.0007071100000000 ] - [ -0.0017118100000000, 0.0029028100000000, 0.0009492600000000 ] - [ -0.0001000800000000, -0.0012105500000000, -0.0004440900000000 ] - [ -0.0003239200000000, 0.0006010000000000, -0.0002708800000000 ] - [ 0.0001290900000000, 0.0006081800000000, -0.0006113700000000 ] - [ -0.0000653100000000, 0.0000857300000000, -0.0001522800000000 ] - [ 0.0003181700000000, -0.0000355000000000, -0.0008645400000000 ] - [ -0.0004468700000000, -0.0000359800000000, 0.0005600100000000 ] - [ -0.0106561200000000, -0.0010752800000000, 0.0188869000000000 ] - [ 0.0097248700000000, -0.0010490000000000, -0.0184293000000000 ] - [ -0.0004813600000000, -0.0007469700000000, 0.0002489600000000 ] - [ 0.0001134500000000, -0.0000743900000000, 0.0002962400000000 ] - [ -0.0006295100000000, 0.0000365400000000, 0.0000551800000000 ] - [ 0.0008512200000000, 0.0000365300000000, 0.0005381400000000 ] - [ -0.0026585800000000, -0.0001176700000000, -0.0012689400000000 ] - [ 0.0024511800000000, -0.0001197300000000, 0.0006516400000000 ] - [ -0.0001087800000000, 0.0001553100000000, -0.0002997400000000 ] - [ 0.0004866300000000, 0.0002859900000000, -0.0002548300000000 ] - [ -0.0006891800000000, 0.0001082400000000, -0.0000737700000000 ] - [ 0.0016660100000000, 0.0000992200000000, -0.0004400400000000 ] - [ 0.0010199000000000, 0.0000058500000000, -0.0012910800000000 ] - [ -0.0009161500000000, 0.0000061700000000, 0.0015730300000000 ] - [ 0.0000603100000000, -0.0000238400000000, 0.0001484500000000 ] - [ -0.0007508600000000, 0.0003598200000000, -0.0006729700000000 ] - [ -0.0008387100000000, -0.0001780500000000, -0.0002550200000000 ] - [ -0.0006624100000000, -0.0001813200000000, -0.0010903100000000 ] - [ 0.0104118100000000, 0.0010657700000000, -0.0036383700000000 ] - [ -0.0079156000000000, 0.0010509100000000, 0.0036069600000000 ] - [ 0.0012545900000000, -0.0003931000000000, -0.0000165800000000 ] - [ 0.0000980100000000, 0.0011892100000000, 0.0004982000000000 ] - [ -0.0001059700000000, -0.0005864300000000, 0.0012922100000000 ] - [ 0.0003017000000000, -0.0005862100000000, -0.0002940700000000 ] - [ -0.0007987400000000, 0.0007198200000000, 0.0004034700000000 ] - [ 0.0003201600000000, 0.0007503100000000, -0.0000151600000000 ] - [ -0.0002418700000000, -0.0013155800000000, 0.0001886000000000 ] - [ 0.0003319900000000, 0.0105045500000000, 0.0000309600000000 ] - [ -0.0030370200000000, -0.0023362600000000, -0.0015455800000000 ] - [ 0.0034416100000000, -0.0023502000000000, 0.0015131800000000 ] - [ 0.0019145300000000, 0.0055905400000000, 0.0010049300000000 ] - [ -0.0026493600000000, 0.0060837600000000, -0.0001162000000000 ] - [ -0.0005494000000000, -0.0076612700000000, 0.0006083500000000 ] - [ -0.0021732600000000, 0.0006113900000000, -0.0096184700000000 ] - [ 0.0010678200000000, 0.0006103200000000, 0.0065312300000000 ] - [ -0.0005497100000000, -0.0011155100000000, -0.0015527500000000 ] - [ -0.0008134900000000, 0.0007162200000000, 0.0006338300000000 ] - [ -0.0007672500000000, -0.0003542800000000, -0.0002459800000000 ] - [ -0.0008635400000000, -0.0003606300000000, 0.0014690700000000 ] - [ 0.0001722500000000, 0.0002600000000000, -0.0005035700000000 ] - [ 0.0004583900000000, -0.0001367900000000, 0.0005450200000000 ] - [ -0.0001127600000000, -0.0001373800000000, -0.0015404100000000 ] - [ -0.0002966100000000, 0.0002920800000000, 0.0005012200000000 ] - [ 0.0000007900000000, -0.0001455500000000, 0.0006500200000000 ] - [ -0.0005937000000000, -0.0001475300000000, 0.0003531900000000 ] - [ 0.0015225800000000, 0.0005969300000000, 0.0000662500000000 ] - [ -0.0004636100000000, 0.0006210100000000, 0.0002211400000000 ] - [ 0.0005278100000000, -0.0010450000000000, 0.0001353900000000 ] - [ 0.0002857200000000, 0.0137534000000000, 0.0004579700000000 ] - [ 0.0018321500000000, -0.0035028200000000, -0.0034764400000000 ] - [ -0.0011263900000000, -0.0035096500000000, 0.0042122400000000 ] - [ -0.0004033700000000, 0.0116722300000000, 0.0001007700000000 ] - [ 0.0020380000000000, -0.0038014800000000, 0.0040382400000000 ] - [ -0.0029200800000000, -0.0037933100000000, -0.0040014400000000 ] - [ 0.0136714600000000, 0.0192791500000000, -0.0001811800000000 ] - [ -0.0139521500000000, 0.0206896500000000, 0.0001364500000000 ] - [ 0.0004831000000000, -0.0103882000000000, -0.0000147500000000 ] - [ 0.0020294500000000, 0.0013253000000000, -0.0029739200000000 ] - [ -0.0027147900000000, 0.0013355900000000, 0.0022193800000000 ] - [ -0.0003401100000000, -0.0028058700000000, -0.0003779000000000 ] - [ -0.0005322200000000, 0.0004394400000000, -0.0001297900000000 ] - [ -0.0001500400000000, -0.0002150100000000, -0.0002127400000000 ] - [ -0.0009125200000000, -0.0002155000000000, -0.0000493200000000 ] - [ 0.0012206800000000, 0.0000875600000000, 0.0006162800000000 ] - [ -0.0006311900000000, 0.0000852200000000, -0.0016036000000000 ] - [ 0.0002962600000000, -0.0001647000000000, -0.0004990300000000 ] - [ 0.0010532100000000, 0.0001082200000000, 0.0051721600000000 ] - [ -0.0014090300000000, 0.0001181400000000, -0.0041781500000000 ] - [ -0.0001746600000000, -0.0004422200000000, 0.0004990300000000 ] - [ 0.0010933400000000, 0.0003081000000000, -0.0009472600000000 ] - [ 0.0005451400000000, 0.0003124100000000, -0.0002629300000000 ] - [ 0.0008169100000000, -0.0006274300000000, -0.0006055000000000 ] - [ 0.0005476800000000, 0.0030317100000000, 0.0015522000000000 ] - [ 0.0008685100000000, -0.0013781500000000, 0.0004868400000000 ] - [ 0.0002224400000000, -0.0014038100000000, 0.0026145400000000 ] - [ 0.0005347200000000, 0.0026684900000000, -0.0006022200000000 ] - [ 0.0009943600000000, -0.0013791100000000, 0.0006318700000000 ] - [ 0.0000662000000000, -0.0013915000000000, -0.0018325100000000 ] - [ -0.0030517900000000, 0.0009792600000000, -0.0005327600000000 ] - [ 0.0026342600000000, 0.0009813800000000, 0.0005625900000000 ] - [ -0.0002143000000000, -0.0020469700000000, 0.0000140600000000 ] - [ 0.0002467200000000, 0.0005241100000000, -0.0001872900000000 ] - [ -0.0001150900000000, -0.0002665100000000, -0.0000547800000000 ] - [ 0.0006068800000000, -0.0002670800000000, -0.0003201100000000 ] - [ 0.0006223500000000, 0.0004027200000000, 0.0025487300000000 ] - [ -0.0008132400000000, 0.0004179800000000, -0.0035483100000000 ] - [ -0.0001005400000000, -0.0007592200000000, -0.0004996300000000 ] - [ -0.0012592000000000, 0.0021455700000000, 0.0000116600000000 ] - [ -0.0007081600000000, -0.0008909900000000, 0.0001105700000000 ] - [ -0.0018103600000000, -0.0009018200000000, -0.0000800900000000 ] - [ 0.0006168600000000, 0.0001094600000000, 0.0018653500000000 ] - [ 0.0008916700000000, 0.0001090200000000, -0.0005001100000000 ] - [ 0.0007515000000000, -0.0002365800000000, 0.0006770000000000 ]- atom: 22 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0011752500000000, 0.0002339700000000, 0.0009631200000000 ] - [ -0.0011752500000000, -0.0002339700000000, 0.0009631200000000 ] - [ -0.0004689300000000, 0.0000000000000000, 0.0003763300000000 ] - [ -0.0008272200000000, 0.0000000000000000, 0.0015020800000000 ] - [ -0.0004808500000000, 0.0001249700000000, 0.0010330500000000 ] - [ -0.0004808500000000, -0.0001249700000000, 0.0010330500000000 ] - [ -0.0005837500000000, -0.0000026700000000, 0.0006977200000000 ] - [ -0.0005837500000000, 0.0000026700000000, 0.0006977200000000 ] - [ -0.0001512500000000, 0.0000000000000000, 0.0002508400000000 ] - [ -0.0004202000000000, 0.0000000000000000, -0.0002474500000000 ] - [ -0.0004617800000000, 0.0000701600000000, -0.0002430400000000 ] - [ -0.0004617800000000, -0.0000701600000000, -0.0002430400000000 ] - [ 0.0011355300000000, -0.0009943400000000, 0.0038252300000000 ] - [ 0.0011355300000000, 0.0009943400000000, 0.0038252300000000 ] - [ 0.0005072500000000, 0.0000000000000000, 0.0022881500000000 ] - [ -0.0031736000000000, -0.0042261600000000, -0.0117913700000000 ] - [ -0.0031736000000000, 0.0042261600000000, -0.0117913700000000 ] - [ -0.0000471300000000, 0.0000000000000000, -0.0022076600000000 ] - [ 0.0143855100000000, 0.0000000000000000, 0.0204969900000000 ] - [ 0.0015199000000000, 0.0023928400000000, 0.0015131400000000 ] - [ 0.0015199000000000, -0.0023928400000000, 0.0015131400000000 ] - [ 0.0221914200000000, 0.0000000000000000, -0.0943287800000000 ] - [ 0.0086320000000000, -0.0014410400000000, -0.0109597200000000 ] - [ 0.0086320000000000, 0.0014410400000000, -0.0109597200000000 ] - [ -0.0006094900000000, 0.0000000000000000, 0.0208475900000000 ] - [ 0.0010459100000000, -0.0035679000000000, 0.0021600900000000 ] - [ 0.0010459100000000, 0.0035679000000000, 0.0021600900000000 ] - [ -0.0162643300000000, -0.0217676200000000, 0.0026851500000000 ] - [ -0.0162643300000000, 0.0217676200000000, 0.0026851500000000 ] - [ -0.0003333200000000, 0.0000000000000000, -0.0017071200000000 ] - [ 0.0127735600000000, 0.0169992300000000, -0.0070372300000000 ] - [ 0.0127735600000000, -0.0169992300000000, -0.0070372300000000 ] - [ 0.0000944400000000, 0.0000000000000000, -0.0014857800000000 ] - [ 0.0016175500000000, 0.0002337600000000, 0.0026274500000000 ] - [ 0.0016175500000000, -0.0002337600000000, 0.0026274500000000 ] - [ 0.0006966100000000, 0.0000000000000000, 0.0014297100000000 ] - [ -0.0028831000000000, 0.0000000000000000, -0.0004472200000000 ] - [ -0.0010999300000000, -0.0015727500000000, -0.0004611200000000 ] - [ -0.0010999300000000, 0.0015727500000000, -0.0004611200000000 ] - [ 0.0018069400000000, 0.0000000000000000, 0.0019620500000000 ] - [ 0.0006801000000000, 0.0002777500000000, 0.0014458000000000 ] - [ 0.0006801000000000, -0.0002777500000000, 0.0014458000000000 ] - [ 0.0005144000000000, 0.0000000000000000, 0.0026061200000000 ] - [ 0.0006661000000000, 0.0000039300000000, 0.0018753800000000 ] - [ 0.0006661000000000, -0.0000039300000000, 0.0018753800000000 ] - [ -0.0111769600000000, 0.0028627500000000, 0.0106663700000000 ] - [ -0.0111769600000000, -0.0028627500000000, 0.0106663700000000 ] - [ -0.0006870100000000, 0.0000000000000000, -0.0019715200000000 ] - [ 0.0028262400000000, 0.0000000000000000, 0.0032044900000000 ] - [ 0.0006781600000000, -0.0000641600000000, 0.0021017200000000 ] - [ 0.0006781600000000, 0.0000641600000000, 0.0021017200000000 ] - [ 0.0002766300000000, -0.0003567900000000, 0.0030723200000000 ] - [ 0.0002766300000000, 0.0003567900000000, 0.0030723200000000 ] - [ -0.0002032500000000, 0.0000000000000000, 0.0007957600000000 ] - [ -0.0016648200000000, 0.0000000000000000, -0.0085544600000000 ] - [ -0.0000245700000000, -0.0001846700000000, -0.0073510300000000 ] - [ -0.0000245700000000, 0.0001846700000000, -0.0073510300000000 ] - [ 0.0033833000000000, 0.0003479600000000, 0.0000345400000000 ] - [ 0.0033833000000000, -0.0003479600000000, 0.0000345400000000 ] - [ 0.0012573600000000, 0.0000000000000000, 0.0003538300000000 ] - [ -0.0009030100000000, 0.0000000000000000, -0.0030165300000000 ] - [ -0.0009979000000000, -0.0003224800000000, -0.0025413000000000 ] - [ -0.0009979000000000, 0.0003224800000000, -0.0025413000000000 ] - [ 0.0078767800000000, 0.0000680700000000, -0.0004450700000000 ] - [ 0.0078767800000000, -0.0000680700000000, -0.0004450700000000 ] - [ 0.0011193600000000, 0.0000000000000000, 0.0010173600000000 ] - [ 0.0010616300000000, 0.0000000000000000, -0.0011040500000000 ] - [ 0.0006539600000000, 0.0003909100000000, -0.0006360900000000 ] - [ 0.0006539600000000, -0.0003909100000000, -0.0006360900000000 ] - [ -0.0030117300000000, 0.0027293900000000, -0.0000873400000000 ] - [ -0.0030117300000000, -0.0027293900000000, -0.0000873400000000 ] - [ -0.0014638100000000, 0.0000000000000000, 0.0001852100000000 ] - [ -0.0066797600000000, 0.0000000000000000, 0.0076660700000000 ] - [ 0.0000014200000000, 0.0000562800000000, 0.0014940500000000 ] - [ 0.0000014200000000, -0.0000562800000000, 0.0014940500000000 ] - [ -0.0003314200000000, -0.0015721100000000, 0.0094044200000000 ] - [ -0.0003314200000000, 0.0015721100000000, 0.0094044200000000 ] - [ -0.0016782000000000, 0.0000000000000000, 0.0034041100000000 ] - [ -0.0000611800000000, -0.0022325700000000, -0.0058054400000000 ] - [ -0.0000611800000000, 0.0022325700000000, -0.0058054400000000 ] - [ 0.0003186100000000, 0.0000000000000000, -0.0002603500000000 ] - [ -0.0018059000000000, 0.0000000000000000, -0.0050682700000000 ] - [ -0.0014599000000000, -0.0005449200000000, -0.0006891000000000 ] - [ -0.0014599000000000, 0.0005449200000000, -0.0006891000000000 ] - [ -0.0013315100000000, 0.0000000000000000, -0.0063990800000000 ] - [ -0.0000591500000000, 0.0000557400000000, -0.0022829800000000 ] - [ -0.0000591500000000, -0.0000557400000000, -0.0022829800000000 ] - [ -0.0012792900000000, 0.0000000000000000, -0.0022144100000000 ] - [ -0.0004437600000000, -0.0001032200000000, -0.0009950400000000 ] - [ -0.0004437600000000, 0.0001032200000000, -0.0009950400000000 ] - [ -0.0004515400000000, 0.0020474400000000, -0.0028584100000000 ] - [ -0.0004515400000000, -0.0020474400000000, -0.0028584100000000 ] - [ 0.0006818600000000, 0.0000000000000000, -0.0009081900000000 ] - [ -0.0008013600000000, 0.0000000000000000, 0.0097511600000000 ] - [ -0.0021626200000000, -0.0033175000000000, 0.0028407200000000 ] - [ -0.0021626200000000, 0.0033175000000000, 0.0028407200000000 ] - [ -0.0054816200000000, 0.0000000000000000, 0.0152588100000000 ] - [ 0.0005999900000000, 0.0016901400000000, 0.0026044500000000 ] - [ 0.0005999900000000, -0.0016901400000000, 0.0026044500000000 ] - [ -0.0031041300000000, 0.0009847100000000, 0.0142110500000000 ] - [ -0.0031041300000000, -0.0009847100000000, 0.0142110500000000 ] - [ -0.0010316200000000, 0.0000000000000000, 0.0022933400000000 ] - [ -0.0029855500000000, -0.0037784600000000, -0.0018929200000000 ] - [ -0.0029855500000000, 0.0037784600000000, -0.0018929200000000 ] - [ -0.0020721900000000, 0.0000000000000000, -0.0002807800000000 ] - [ -0.0014414300000000, 0.0000000000000000, -0.0016844900000000 ] - [ -0.0007234200000000, 0.0001751000000000, -0.0015407600000000 ] - [ -0.0007234200000000, -0.0001751000000000, -0.0015407600000000 ] - [ 0.0002162300000000, -0.0001598200000000, -0.0030156400000000 ] - [ 0.0002162300000000, 0.0001598200000000, -0.0030156400000000 ] - [ 0.0003147400000000, 0.0000000000000000, -0.0014911900000000 ] - [ -0.0002815400000000, 0.0008178500000000, -0.0018365100000000 ] - [ -0.0002815400000000, -0.0008178500000000, -0.0018365100000000 ] - [ -0.0002155500000000, 0.0000000000000000, 0.0001027400000000 ] - [ -0.0001406800000000, 0.0000963300000000, -0.0026545400000000 ] - [ -0.0001406800000000, -0.0000963300000000, -0.0026545400000000 ] - [ 0.0003199100000000, 0.0000000000000000, -0.0021888700000000 ] - [ 0.0050535700000000, 0.0000000000000000, 0.0058674300000000 ] - [ 0.0040770200000000, -0.0037226600000000, 0.0068072200000000 ] - [ 0.0040770200000000, 0.0037226600000000, 0.0068072200000000 ] - [ -0.0015859700000000, 0.0000000000000000, 0.0045558700000000 ] - [ -0.0023406800000000, 0.0025698600000000, 0.0049672400000000 ] - [ -0.0023406800000000, -0.0025698600000000, 0.0049672400000000 ] - [ -0.0002328700000000, -0.0001572200000000, -0.0010028700000000 ] - [ -0.0002328700000000, 0.0001572200000000, -0.0010028700000000 ] - [ 0.0001498600000000, 0.0000000000000000, -0.0006934200000000 ] - [ -0.0001917200000000, 0.0000000000000000, -0.0010499700000000 ] - [ -0.0002860100000000, 0.0002304900000000, -0.0008697100000000 ] - [ -0.0002860100000000, -0.0002304900000000, -0.0008697100000000 ] - [ 0.0004246600000000, 0.0002885500000000, 0.0023199400000000 ] - [ 0.0004246600000000, -0.0002885500000000, 0.0023199400000000 ] - [ 0.0002285900000000, 0.0000000000000000, 0.0000348200000000 ] - [ -0.0003403500000000, 0.0000000000000000, 0.0025409900000000 ] - [ -0.0015847900000000, -0.0001296300000000, 0.0020586900000000 ] - [ -0.0015847900000000, 0.0001296300000000, 0.0020586900000000 ] - [ 0.0001070600000000, -0.0001135300000000, -0.0001461000000000 ] - [ 0.0001070600000000, 0.0001135300000000, -0.0001461000000000 ] - [ 0.0005387900000000, 0.0000000000000000, -0.0000133000000000 ]- atom: 22 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0007720700000000, -0.0002336400000000, -0.0007172000000000 ] - [ 0.0007720700000000, 0.0002336400000000, -0.0007172000000000 ] - [ 0.0000604500000000, 0.0000000000000000, -0.0001294500000000 ] - [ 0.0006023400000000, 0.0000000000000000, -0.0010037300000000 ] - [ 0.0002571400000000, -0.0001234500000000, -0.0005535200000000 ] - [ 0.0002571400000000, 0.0001234500000000, -0.0005535200000000 ] - [ 0.0008060800000000, 0.0000020100000000, -0.0011734900000000 ] - [ 0.0008060800000000, -0.0000020100000000, -0.0011734900000000 ] - [ 0.0003762200000000, 0.0000000000000000, -0.0007281200000000 ] - [ 0.0008129700000000, 0.0000000000000000, 0.0000020000000000 ] - [ 0.0008625200000000, -0.0000712900000000, -0.0000019900000000 ] - [ 0.0008625200000000, 0.0000712900000000, -0.0000019900000000 ] - [ -0.0009419700000000, 0.0009825300000000, -0.0029397700000000 ] - [ -0.0009419700000000, -0.0009825300000000, -0.0029397700000000 ] - [ -0.0003156000000000, 0.0000000000000000, -0.0014132500000000 ] - [ 0.0041130900000000, 0.0042948300000000, 0.0115623800000000 ] - [ 0.0041130900000000, -0.0042948300000000, 0.0115623800000000 ] - [ 0.0010467300000000, 0.0000000000000000, 0.0019618400000000 ] - [ -0.0140874000000000, 0.0000000000000000, -0.0184856500000000 ] - [ -0.0013950900000000, -0.0023803500000000, 0.0003194800000000 ] - [ -0.0013950900000000, 0.0023803500000000, 0.0003194800000000 ] - [ -0.0201885400000000, 0.0000000000000000, 0.0935545600000000 ] - [ -0.0076220500000000, 0.0013286900000000, 0.0100796700000000 ] - [ -0.0076220500000000, -0.0013286900000000, 0.0100796700000000 ] - [ 0.0015944300000000, 0.0000000000000000, -0.0208655200000000 ] - [ -0.0000347000000000, 0.0035770500000000, -0.0020496000000000 ] - [ -0.0000347000000000, -0.0035770500000000, -0.0020496000000000 ] - [ 0.0150780200000000, 0.0215317400000000, -0.0028248200000000 ] - [ 0.0150780200000000, -0.0215317400000000, -0.0028248200000000 ] - [ -0.0006732200000000, 0.0000000000000000, 0.0015838300000000 ] - [ -0.0138545300000000, -0.0170451900000000, 0.0079882500000000 ] - [ -0.0138545300000000, 0.0170451900000000, 0.0079882500000000 ] - [ -0.0011109900000000, 0.0000000000000000, 0.0023700900000000 ] - [ -0.0017262600000000, -0.0002345500000000, -0.0044653500000000 ] - [ -0.0017262600000000, 0.0002345500000000, -0.0044653500000000 ] - [ -0.0008068700000000, 0.0000000000000000, -0.0032702900000000 ] - [ 0.0018619900000000, 0.0000000000000000, 0.0006964800000000 ] - [ 0.0000732500000000, 0.0015732200000000, 0.0007018000000000 ] - [ 0.0000732500000000, -0.0015732200000000, 0.0007018000000000 ] - [ -0.0019878800000000, 0.0000000000000000, -0.0028330300000000 ] - [ -0.0008677200000000, -0.0002757500000000, -0.0023174700000000 ] - [ -0.0008677200000000, 0.0002757500000000, -0.0023174700000000 ] - [ -0.0006400200000000, 0.0000000000000000, -0.0028901400000000 ] - [ -0.0007908100000000, -0.0000043500000000, -0.0021609200000000 ] - [ -0.0007908100000000, 0.0000043500000000, -0.0021609200000000 ] - [ 0.0102569400000000, -0.0029639600000000, -0.0100913000000000 ] - [ 0.0102569400000000, 0.0029639600000000, -0.0100913000000000 ] - [ -0.0003052400000000, 0.0000000000000000, 0.0025241500000000 ] - [ -0.0026049800000000, 0.0000000000000000, -0.0025999100000000 ] - [ -0.0004492400000000, 0.0000644300000000, -0.0014961400000000 ] - [ -0.0004492400000000, -0.0000644300000000, -0.0014961400000000 ] - [ -0.0005107500000000, 0.0003536100000000, -0.0036649100000000 ] - [ -0.0005107500000000, -0.0003536100000000, -0.0036649100000000 ] - [ -0.0000238800000000, 0.0000000000000000, -0.0013963300000000 ] - [ 0.0026378300000000, 0.0000000000000000, 0.0079839100000000 ] - [ 0.0009923000000000, 0.0001734700000000, 0.0067960500000000 ] - [ 0.0009923000000000, -0.0001734700000000, 0.0067960500000000 ] - [ -0.0032423900000000, -0.0003421200000000, 0.0002390300000000 ] - [ -0.0032423900000000, 0.0003421200000000, 0.0002390300000000 ] - [ -0.0011266100000000, 0.0000000000000000, -0.0000676700000000 ] - [ -0.0006019100000000, 0.0000000000000000, 0.0016528900000000 ] - [ -0.0005052800000000, 0.0003191200000000, 0.0011790200000000 ] - [ -0.0005052800000000, -0.0003191200000000, 0.0011790200000000 ] - [ -0.0053314700000000, -0.0000512500000000, 0.0003834500000000 ] - [ -0.0053314700000000, 0.0000512500000000, 0.0003834500000000 ] - [ 0.0014205800000000, 0.0000000000000000, -0.0010605500000000 ] - [ -0.0008646100000000, 0.0000000000000000, 0.0020846100000000 ] - [ -0.0004555700000000, -0.0003913300000000, 0.0016200800000000 ] - [ -0.0004555700000000, 0.0003913300000000, 0.0016200800000000 ] - [ 0.0024967500000000, -0.0027137300000000, 0.0004768100000000 ] - [ 0.0024967500000000, 0.0027137300000000, 0.0004768100000000 ] - [ 0.0009673600000000, 0.0000000000000000, 0.0001975200000000 ] - [ 0.0072833400000000, 0.0000000000000000, -0.0075333800000000 ] - [ 0.0004363300000000, -0.0000508200000000, -0.0014959700000000 ] - [ 0.0004363300000000, 0.0000508200000000, -0.0014959700000000 ] - [ -0.0005252800000000, 0.0012811700000000, -0.0084155800000000 ] - [ -0.0005252800000000, -0.0012811700000000, -0.0084155800000000 ] - [ 0.0006386400000000, 0.0000000000000000, -0.0022395900000000 ] - [ -0.0010589600000000, 0.0022601800000000, 0.0026888000000000 ] - [ -0.0010589600000000, -0.0022601800000000, 0.0026888000000000 ] - [ -0.0014215000000000, 0.0000000000000000, -0.0028654100000000 ] - [ 0.0001709000000000, 0.0000000000000000, 0.0062483000000000 ] - [ -0.0001754000000000, 0.0005414600000000, 0.0019117700000000 ] - [ -0.0001754000000000, -0.0005414600000000, 0.0019117700000000 ] - [ 0.0016745100000000, 0.0000000000000000, 0.0053911100000000 ] - [ 0.0004001700000000, -0.0000553600000000, 0.0012698800000000 ] - [ 0.0004001700000000, 0.0000553600000000, 0.0012698800000000 ] - [ 0.0006854700000000, 0.0000000000000000, 0.0032063300000000 ] - [ -0.0001506200000000, 0.0001035700000000, 0.0019871400000000 ] - [ -0.0001506200000000, -0.0001035700000000, 0.0019871400000000 ] - [ 0.0015085100000000, -0.0020390800000000, 0.0031122000000000 ] - [ 0.0015085100000000, 0.0020390800000000, 0.0031122000000000 ] - [ 0.0003807000000000, 0.0000000000000000, 0.0011769700000000 ] - [ 0.0009207900000000, 0.0000000000000000, -0.0076623700000000 ] - [ 0.0028307100000000, 0.0033005600000000, -0.0020515900000000 ] - [ 0.0028307100000000, -0.0033005600000000, -0.0020515900000000 ] - [ 0.0039066700000000, 0.0000000000000000, -0.0166879400000000 ] - [ -0.0015114100000000, -0.0016915600000000, -0.0026042500000000 ] - [ -0.0015114100000000, 0.0016915600000000, -0.0026042500000000 ] - [ 0.0040057000000000, -0.0009952700000000, -0.0141954400000000 ] - [ 0.0040057000000000, 0.0009952700000000, -0.0141954400000000 ] - [ 0.0019136000000000, 0.0000000000000000, -0.0023082500000000 ] - [ 0.0023151700000000, 0.0037694800000000, 0.0011157600000000 ] - [ 0.0023151700000000, -0.0037694800000000, 0.0011157600000000 ] - [ 0.0013900900000000, 0.0000000000000000, -0.0004885800000000 ] - [ 0.0003802500000000, 0.0000000000000000, 0.0014114800000000 ] - [ -0.0003417400000000, -0.0001752400000000, 0.0012696100000000 ] - [ -0.0003417400000000, 0.0001752400000000, 0.0012696100000000 ] - [ 0.0003799400000000, 0.0001615100000000, 0.0020149300000000 ] - [ 0.0003799400000000, -0.0001615100000000, 0.0020149300000000 ] - [ 0.0002797200000000, 0.0000000000000000, 0.0004930700000000 ] - [ -0.0000617000000000, -0.0008199800000000, 0.0028510000000000 ] - [ -0.0000617000000000, 0.0008199800000000, 0.0028510000000000 ] - [ -0.0001283600000000, 0.0000000000000000, 0.0009077900000000 ] - [ 0.0017696400000000, -0.0000949100000000, 0.0014300800000000 ] - [ 0.0017696400000000, 0.0000949100000000, 0.0014300800000000 ] - [ 0.0013116500000000, 0.0000000000000000, 0.0009651900000000 ] - [ -0.0039231500000000, 0.0000000000000000, -0.0027199700000000 ] - [ -0.0029529800000000, 0.0036939800000000, -0.0036508100000000 ] - [ -0.0029529800000000, -0.0036939800000000, -0.0036508100000000 ] - [ 0.0026353600000000, 0.0000000000000000, -0.0057449600000000 ] - [ 0.0034007300000000, -0.0025754700000000, -0.0061633000000000 ] - [ 0.0034007300000000, 0.0025754700000000, -0.0061633000000000 ] - [ -0.0001937500000000, 0.0001501600000000, 0.0010242900000000 ] - [ -0.0001937500000000, -0.0001501600000000, 0.0010242900000000 ] - [ -0.0005824100000000, 0.0000000000000000, 0.0007113800000000 ] - [ 0.0006818600000000, 0.0000000000000000, 0.0006684700000000 ] - [ 0.0007765100000000, -0.0002308600000000, 0.0004886500000000 ] - [ 0.0007765100000000, 0.0002308600000000, 0.0004886500000000 ] - [ -0.0006152500000000, -0.0002988400000000, -0.0032909900000000 ] - [ -0.0006152500000000, 0.0002988400000000, -0.0032909900000000 ] - [ -0.0004245700000000, 0.0000000000000000, -0.0010167000000000 ] - [ -0.0021628600000000, 0.0000000000000000, -0.0025015300000000 ] - [ -0.0009188700000000, 0.0001382300000000, -0.0020177600000000 ] - [ -0.0009188700000000, -0.0001382300000000, -0.0020177600000000 ] - [ 0.0013932800000000, 0.0001141000000000, 0.0015064900000000 ] - [ 0.0013932800000000, -0.0001141000000000, 0.0015064900000000 ] - [ 0.0009640100000000, 0.0000000000000000, 0.0013714300000000 ]- atom: 25 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0059180600000000, -0.0032688600000000, -0.0001531800000000 ] - [ 0.0059180600000000, 0.0032688600000000, -0.0001531800000000 ] - [ -0.0007013400000000, 0.0000000000000000, 0.0002441600000000 ] - [ 0.0010085200000000, 0.0000000000000000, -0.0028996300000000 ] - [ -0.0002171400000000, 0.0004769200000000, 0.0000252000000000 ] - [ -0.0002171400000000, -0.0004769200000000, 0.0000252000000000 ] - [ 0.0000250400000000, -0.0002394300000000, -0.0004230500000000 ] - [ 0.0000250400000000, 0.0002394300000000, -0.0004230500000000 ] - [ 0.0000497500000000, 0.0000000000000000, -0.0002011200000000 ] - [ 0.0003503000000000, 0.0000000000000000, -0.0000517200000000 ] - [ 0.0003166000000000, 0.0000753500000000, -0.0000873600000000 ] - [ 0.0003166000000000, -0.0000753500000000, -0.0000873600000000 ] - [ 0.0018197000000000, -0.0009402700000000, -0.0004361400000000 ] - [ 0.0018197000000000, 0.0009402700000000, -0.0004361400000000 ] - [ 0.0005047900000000, 0.0000000000000000, 0.0004021400000000 ] - [ 0.0018838700000000, -0.0002328700000000, 0.0028625100000000 ] - [ 0.0018838700000000, 0.0002328700000000, 0.0028625100000000 ] - [ 0.0007840400000000, 0.0000000000000000, -0.0002899200000000 ] - [ -0.0001524800000000, 0.0000000000000000, 0.0007322700000000 ] - [ -0.0000947000000000, 0.0000664100000000, 0.0008968800000000 ] - [ -0.0000947000000000, -0.0000664100000000, 0.0008968800000000 ] - [ -0.0056922000000000, 0.0000000000000000, -0.0027997900000000 ] - [ -0.0020261100000000, 0.0008726100000000, -0.0004677900000000 ] - [ -0.0020261100000000, -0.0008726100000000, -0.0004677900000000 ] - [ -0.0985968700000000, 0.0000000000000000, 0.0142846600000000 ] - [ -0.0131148600000000, -0.0000399100000000, -0.0038447400000000 ] - [ -0.0131148600000000, 0.0000399100000000, -0.0038447400000000 ] - [ -0.0002292300000000, 0.0002719400000000, -0.0010232400000000 ] - [ -0.0002292300000000, -0.0002719400000000, -0.0010232400000000 ] - [ -0.0005601500000000, 0.0000000000000000, -0.0001983900000000 ] - [ 0.0079272300000000, 0.0082152200000000, -0.0135799400000000 ] - [ 0.0079272300000000, -0.0082152200000000, -0.0135799400000000 ] - [ 0.0001910400000000, 0.0000000000000000, 0.0007552500000000 ] - [ 0.0108939200000000, 0.0034925400000000, 0.0048052700000000 ] - [ 0.0108939200000000, -0.0034925400000000, 0.0048052700000000 ] - [ 0.0003416000000000, 0.0000000000000000, -0.0015458900000000 ] - [ 0.0079719000000000, 0.0000000000000000, 0.0024012700000000 ] - [ 0.0026219900000000, 0.0011893000000000, 0.0004806200000000 ] - [ 0.0026219900000000, -0.0011893000000000, 0.0004806200000000 ] - [ -0.0002260800000000, 0.0000000000000000, 0.0026324800000000 ] - [ 0.0001873000000000, -0.0003144400000000, 0.0003772500000000 ] - [ 0.0001873000000000, 0.0003144400000000, 0.0003772500000000 ] - [ 0.0052321100000000, 0.0000000000000000, -0.0043741400000000 ] - [ 0.0018905800000000, 0.0003578600000000, -0.0010667900000000 ] - [ 0.0018905800000000, -0.0003578600000000, -0.0010667900000000 ] - [ 0.0099415800000000, -0.0007789100000000, 0.0196341700000000 ] - [ 0.0099415800000000, 0.0007789100000000, 0.0196341700000000 ] - [ -0.0017236800000000, 0.0000000000000000, -0.0018594400000000 ] - [ -0.0164919000000000, 0.0000000000000000, 0.0022816800000000 ] - [ -0.0013453800000000, -0.0001697600000000, 0.0006632700000000 ] - [ -0.0013453800000000, 0.0001697600000000, 0.0006632700000000 ] - [ -0.0004488600000000, 0.0000173000000000, -0.0010368000000000 ] - [ -0.0004488600000000, -0.0000173000000000, -0.0010368000000000 ] - [ -0.0003216000000000, 0.0000000000000000, -0.0004279600000000 ] - [ 0.0022742800000000, 0.0000000000000000, -0.0017507600000000 ] - [ 0.0015257500000000, 0.0002284500000000, -0.0012104500000000 ] - [ 0.0015257500000000, -0.0002284500000000, -0.0012104500000000 ] - [ 0.0000837300000000, -0.0000146100000000, 0.0008383800000000 ] - [ 0.0000837300000000, 0.0000146100000000, 0.0008383800000000 ] - [ 0.0003991400000000, 0.0000000000000000, 0.0004373000000000 ] - [ -0.0034131800000000, 0.0000000000000000, 0.0014046000000000 ] - [ -0.0014304500000000, -0.0004599700000000, -0.0005591500000000 ] - [ -0.0014304500000000, 0.0004599700000000, -0.0005591500000000 ] - [ -0.0063489100000000, 0.0000156300000000, -0.0036732600000000 ] - [ -0.0063489100000000, -0.0000156300000000, -0.0036732600000000 ] - [ 0.0021245200000000, 0.0000000000000000, 0.0004139300000000 ] - [ -0.0071794500000000, 0.0000000000000000, 0.0014547700000000 ] - [ -0.0013904100000000, -0.0013098500000000, 0.0010547400000000 ] - [ -0.0013904100000000, 0.0013098500000000, 0.0010547400000000 ] - [ -0.0002862000000000, 0.0000142100000000, 0.0000638100000000 ] - [ -0.0002862000000000, -0.0000142100000000, 0.0000638100000000 ] - [ -0.0004734600000000, 0.0000000000000000, 0.0001276300000000 ] - [ 0.0018184100000000, 0.0000000000000000, -0.0000692600000000 ] - [ 0.0005939300000000, -0.0006890100000000, -0.0001630400000000 ] - [ 0.0005939300000000, 0.0006890100000000, -0.0001630400000000 ] - [ 0.0014480000000000, -0.0001316000000000, -0.0080841500000000 ] - [ 0.0014480000000000, 0.0001316000000000, -0.0080841500000000 ] - [ -0.0003145500000000, 0.0000000000000000, 0.0014334900000000 ] - [ 0.0031406100000000, 0.0030013600000000, -0.0058866600000000 ] - [ 0.0031406100000000, -0.0030013600000000, -0.0058866600000000 ] - [ 0.0026082200000000, 0.0000000000000000, 0.0023237800000000 ] - [ -0.0011537000000000, 0.0000000000000000, 0.0009465300000000 ] - [ -0.0013216400000000, -0.0003243400000000, 0.0008252300000000 ] - [ -0.0013216400000000, 0.0003243400000000, 0.0008252300000000 ] - [ 0.0124229300000000, 0.0000000000000000, 0.0062447800000000 ] - [ 0.0006187700000000, -0.0002786100000000, -0.0004166300000000 ] - [ 0.0006187700000000, 0.0002786100000000, -0.0004166300000000 ] - [ 0.0044318900000000, 0.0000000000000000, 0.0030653500000000 ] - [ 0.0000438400000000, -0.0001702000000000, 0.0001650600000000 ] - [ 0.0000438400000000, 0.0001702000000000, 0.0001650600000000 ] - [ 0.0004938700000000, -0.0000243100000000, 0.0004897800000000 ] - [ 0.0004938700000000, 0.0000243100000000, 0.0004897800000000 ] - [ 0.0006777900000000, 0.0000000000000000, 0.0001844400000000 ] - [ -0.0000502300000000, 0.0000000000000000, 0.0010605800000000 ] - [ 0.0005419100000000, 0.0003122900000000, 0.0004876100000000 ] - [ 0.0005419100000000, -0.0003122900000000, 0.0004876100000000 ] - [ 0.0135635400000000, 0.0000000000000000, -0.0128767900000000 ] - [ 0.0014000600000000, 0.0016155800000000, 0.0016903500000000 ] - [ 0.0014000600000000, -0.0016155800000000, 0.0016903500000000 ] - [ 0.0022675400000000, -0.0002009800000000, 0.0024635900000000 ] - [ 0.0022675400000000, 0.0002009800000000, 0.0024635900000000 ] - [ 0.0010150400000000, 0.0000000000000000, 0.0005719600000000 ] - [ 0.0246562700000000, 0.0111322300000000, 0.0016044500000000 ] - [ 0.0246562700000000, -0.0111322300000000, 0.0016044500000000 ] - [ 0.0019653600000000, 0.0000000000000000, -0.0010848400000000 ] - [ 0.0006811200000000, 0.0000000000000000, -0.0082043400000000 ] - [ -0.0004172200000000, 0.0008875900000000, -0.0013593700000000 ] - [ -0.0004172200000000, -0.0008875900000000, -0.0013593700000000 ] - [ -0.0000929700000000, 0.0003742700000000, 0.0003609700000000 ] - [ -0.0000929700000000, -0.0003742700000000, 0.0003609700000000 ] - [ 0.0003228200000000, 0.0000000000000000, -0.0004211400000000 ] - [ 0.0001092800000000, -0.0000028000000000, 0.0011461200000000 ] - [ 0.0001092800000000, 0.0000028000000000, 0.0011461200000000 ] - [ -0.0000499700000000, 0.0000000000000000, 0.0006536000000000 ] - [ 0.0000540500000000, -0.0001789400000000, -0.0024978100000000 ] - [ 0.0000540500000000, 0.0001789400000000, -0.0024978100000000 ] - [ 0.0004849400000000, 0.0000000000000000, -0.0007275200000000 ] - [ 0.0002214200000000, 0.0000000000000000, 0.0017889600000000 ] - [ 0.0003991400000000, 0.0000299500000000, 0.0017332500000000 ] - [ 0.0003991400000000, -0.0000299500000000, 0.0017332500000000 ] - [ -0.0028031500000000, 0.0000000000000000, 0.0003298000000000 ] - [ -0.0011056900000000, 0.0016297400000000, 0.0003073200000000 ] - [ -0.0011056900000000, -0.0016297400000000, 0.0003073200000000 ] - [ -0.0035525300000000, 0.0007883900000000, 0.0006864600000000 ] - [ -0.0035525300000000, -0.0007883900000000, 0.0006864600000000 ] - [ -0.0011789400000000, 0.0000000000000000, 0.0003675900000000 ] - [ -0.0052544200000000, 0.0000000000000000, 0.0007569000000000 ] - [ -0.0018726900000000, 0.0012968500000000, 0.0000079200000000 ] - [ -0.0018726900000000, -0.0012968500000000, 0.0000079200000000 ] - [ -0.0004633200000000, 0.0000228400000000, -0.0014971200000000 ] - [ -0.0004633200000000, -0.0000228400000000, -0.0014971200000000 ] - [ -0.0001858300000000, 0.0000000000000000, -0.0006173000000000 ] - [ -0.0028469200000000, 0.0000000000000000, -0.0001096300000000 ] - [ -0.0022905200000000, -0.0004708000000000, 0.0001382500000000 ] - [ -0.0022905200000000, 0.0004708000000000, 0.0001382500000000 ] - [ 0.0008710700000000, -0.0001896100000000, 0.0000899300000000 ] - [ 0.0008710700000000, 0.0001896100000000, 0.0000899300000000 ] - [ 0.0006749200000000, 0.0000000000000000, 0.0003462700000000 ]- atom: 25 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0062751000000000, 0.0032233000000000, 0.0003982800000000 ] - [ -0.0062751000000000, -0.0032233000000000, 0.0003982800000000 ] - [ 0.0002953300000000, 0.0000000000000000, 0.0000033100000000 ] - [ -0.0012790000000000, 0.0000000000000000, 0.0033752800000000 ] - [ -0.0000156600000000, -0.0004806800000000, 0.0004342200000000 ] - [ -0.0000156600000000, 0.0004806800000000, 0.0004342200000000 ] - [ 0.0002021400000000, 0.0002448700000000, -0.0000203600000000 ] - [ 0.0002021400000000, -0.0002448700000000, -0.0000203600000000 ] - [ 0.0001767300000000, 0.0000000000000000, -0.0002619200000000 ] - [ 0.0000562100000000, 0.0000000000000000, -0.0001936800000000 ] - [ 0.0000889700000000, -0.0000751400000000, -0.0001601900000000 ] - [ 0.0000889700000000, 0.0000751400000000, -0.0001601900000000 ] - [ -0.0016327300000000, 0.0009370000000000, 0.0013008000000000 ] - [ -0.0016327300000000, -0.0009370000000000, 0.0013008000000000 ] - [ -0.0003144900000000, 0.0000000000000000, 0.0004686700000000 ] - [ -0.0008587900000000, 0.0002318800000000, -0.0030769800000000 ] - [ -0.0008587900000000, -0.0002318800000000, -0.0030769800000000 ] - [ 0.0002358000000000, 0.0000000000000000, 0.0000605800000000 ] - [ 0.0002633400000000, 0.0000000000000000, 0.0011222300000000 ] - [ 0.0002051300000000, -0.0000680100000000, 0.0009550600000000 ] - [ 0.0002051300000000, 0.0000680100000000, 0.0009550600000000 ] - [ 0.0066950200000000, 0.0000000000000000, 0.0019315300000000 ] - [ 0.0030398700000000, -0.0008681000000000, -0.0004054800000000 ] - [ 0.0030398700000000, 0.0008681000000000, -0.0004054800000000 ] - [ 0.1006589700000000, 0.0000000000000000, -0.0149770900000000 ] - [ 0.0140646900000000, -0.0000181100000000, 0.0039166300000000 ] - [ 0.0140646900000000, 0.0000181100000000, 0.0039166300000000 ] - [ -0.0007851000000000, -0.0002726000000000, 0.0009229900000000 ] - [ -0.0007851000000000, 0.0002726000000000, 0.0009229900000000 ] - [ -0.0004541700000000, 0.0000000000000000, 0.0000973000000000 ] - [ -0.0089747000000000, -0.0083158400000000, 0.0144996800000000 ] - [ -0.0089747000000000, 0.0083158400000000, 0.0144996800000000 ] - [ -0.0012090400000000, 0.0000000000000000, 0.0001089400000000 ] - [ -0.0110163600000000, -0.0035589100000000, -0.0066673500000000 ] - [ -0.0110163600000000, 0.0035589100000000, -0.0066673500000000 ] - [ -0.0004363600000000, 0.0000000000000000, -0.0003066900000000 ] - [ -0.0089444900000000, 0.0000000000000000, -0.0021276600000000 ] - [ -0.0036295000000000, -0.0011757500000000, -0.0002451000000000 ] - [ -0.0036295000000000, 0.0011757500000000, -0.0002451000000000 ] - [ 0.0000586700000000, 0.0000000000000000, -0.0035202600000000 ] - [ -0.0003681500000000, 0.0003105600000000, -0.0012432100000000 ] - [ -0.0003681500000000, -0.0003105600000000, -0.0012432100000000 ] - [ -0.0053233800000000, 0.0000000000000000, 0.0040066200000000 ] - [ -0.0020099900000000, -0.0003574900000000, 0.0007613600000000 ] - [ -0.0020099900000000, 0.0003574900000000, 0.0007613600000000 ] - [ -0.0108688500000000, 0.0007341700000000, -0.0189979400000000 ] - [ -0.0108688500000000, -0.0007341700000000, -0.0189979400000000 ] - [ 0.0007369300000000, 0.0000000000000000, 0.0023957600000000 ] - [ 0.0169941000000000, 0.0000000000000000, -0.0015355800000000 ] - [ 0.0015772400000000, 0.0001647100000000, -0.0000552300000000 ] - [ 0.0015772400000000, -0.0001647100000000, -0.0000552300000000 ] - [ 0.0002211000000000, -0.0000171800000000, 0.0004446900000000 ] - [ 0.0002211000000000, 0.0000171800000000, 0.0004446900000000 ] - [ 0.0000946200000000, 0.0000000000000000, -0.0001703900000000 ] - [ -0.0012874600000000, 0.0000000000000000, 0.0012263700000000 ] - [ -0.0005409600000000, -0.0002298300000000, 0.0006854000000000 ] - [ -0.0005409600000000, 0.0002298300000000, 0.0006854000000000 ] - [ 0.0000420400000000, 0.0000147800000000, -0.0005364900000000 ] - [ 0.0000420400000000, -0.0000147800000000, -0.0005364900000000 ] - [ -0.0002718700000000, 0.0000000000000000, -0.0001385300000000 ] - [ 0.0019097900000000, 0.0000000000000000, -0.0027291400000000 ] - [ -0.0000710200000000, 0.0004598700000000, -0.0007906700000000 ] - [ -0.0000710200000000, -0.0004598700000000, -0.0007906700000000 ] - [ 0.0088511200000000, 0.0000008200000000, 0.0036166600000000 ] - [ 0.0088511200000000, -0.0000008200000000, 0.0036166600000000 ] - [ 0.0004059500000000, 0.0000000000000000, -0.0004536400000000 ] - [ 0.0072950200000000, 0.0000000000000000, -0.0004364600000000 ] - [ 0.0015828900000000, 0.0013017700000000, -0.0000562000000000 ] - [ 0.0015828900000000, -0.0013017700000000, -0.0000562000000000 ] - [ -0.0002052600000000, -0.0000148600000000, 0.0003121200000000 ] - [ -0.0002052600000000, 0.0000148600000000, 0.0003121200000000 ] - [ -0.0000167900000000, 0.0000000000000000, 0.0002494700000000 ] - [ -0.0013763800000000, 0.0000000000000000, 0.0000454800000000 ] - [ -0.0001567000000000, 0.0006868800000000, 0.0001383800000000 ] - [ -0.0001567000000000, -0.0006868800000000, 0.0001383800000000 ] - [ -0.0025007500000000, 0.0001348600000000, 0.0092234600000000 ] - [ -0.0025007500000000, -0.0001348600000000, 0.0092234600000000 ] - [ -0.0007416700000000, 0.0000000000000000, -0.0002495200000000 ] - [ -0.0040984600000000, -0.0032002300000000, 0.0028583500000000 ] - [ -0.0040984600000000, 0.0032002300000000, 0.0028583500000000 ] - [ -0.0037134800000000, 0.0000000000000000, -0.0054462300000000 ] - [ -0.0004919000000000, 0.0000000000000000, 0.0002713300000000 ] - [ -0.0003160500000000, 0.0003232500000000, 0.0003947900000000 ] - [ -0.0003160500000000, -0.0003232500000000, 0.0003947900000000 ] - [ -0.0120319600000000, 0.0000000000000000, -0.0072769800000000 ] - [ -0.0002767500000000, 0.0002941700000000, -0.0005801000000000 ] - [ -0.0002767500000000, -0.0002941700000000, -0.0005801000000000 ] - [ -0.0050997100000000, 0.0000000000000000, -0.0021337300000000 ] - [ -0.0006404600000000, 0.0001737800000000, 0.0008257600000000 ] - [ -0.0006404600000000, -0.0001737800000000, 0.0008257600000000 ] - [ 0.0005757500000000, 0.0000241300000000, -0.0002267900000000 ] - [ 0.0005757500000000, -0.0000241300000000, -0.0002267900000000 ] - [ 0.0003879600000000, 0.0000000000000000, 0.0000822900000000 ] - [ 0.0007330400000000, 0.0000000000000000, -0.0003030300000000 ] - [ 0.0001409300000000, -0.0003111800000000, 0.0002747400000000 ] - [ 0.0001409300000000, 0.0003111800000000, 0.0002747400000000 ] - [ -0.0143906800000000, 0.0000000000000000, 0.0131564200000000 ] - [ -0.0023053600000000, -0.0016174100000000, -0.0016490300000000 ] - [ -0.0023053600000000, 0.0016174100000000, -0.0016490300000000 ] - [ -0.0013578700000000, 0.0001964100000000, -0.0024815800000000 ] - [ -0.0013578700000000, -0.0001964100000000, -0.0024815800000000 ] - [ -0.0001055400000000, 0.0000000000000000, -0.0005921600000000 ] - [ -0.0260722300000000, -0.0121819600000000, -0.0023398000000000 ] - [ -0.0260722300000000, 0.0121819600000000, -0.0023398000000000 ] - [ -0.0026230900000000, 0.0000000000000000, 0.0003228200000000 ] - [ -0.0018093600000000, 0.0000000000000000, 0.0080184700000000 ] - [ -0.0006601900000000, -0.0008863300000000, 0.0010842800000000 ] - [ -0.0006601900000000, 0.0008863300000000, 0.0010842800000000 ] - [ 0.0006991300000000, -0.0003801200000000, -0.0013650500000000 ] - [ 0.0006991300000000, 0.0003801200000000, -0.0013650500000000 ] - [ 0.0002743900000000, 0.0000000000000000, -0.0005775700000000 ] - [ -0.0004519500000000, 0.0000017900000000, -0.0001463300000000 ] - [ -0.0004519500000000, -0.0000017900000000, -0.0001463300000000 ] - [ -0.0002944100000000, 0.0000000000000000, 0.0003506000000000 ] - [ 0.0015798100000000, 0.0001784600000000, 0.0012701600000000 ] - [ 0.0015798100000000, -0.0001784600000000, 0.0012701600000000 ] - [ 0.0011451900000000, 0.0000000000000000, -0.0004911500000000 ] - [ 0.0008754500000000, 0.0000000000000000, 0.0013194500000000 ] - [ 0.0006993300000000, -0.0000295900000000, 0.0013783700000000 ] - [ 0.0006993300000000, 0.0000295900000000, 0.0013783700000000 ] - [ 0.0038484700000000, 0.0000000000000000, -0.0015215700000000 ] - [ 0.0021629100000000, -0.0016323300000000, -0.0015006000000000 ] - [ 0.0021629100000000, 0.0016323300000000, -0.0015006000000000 ] - [ 0.0031066200000000, -0.0007721900000000, -0.0006595900000000 ] - [ 0.0031066200000000, 0.0007721900000000, -0.0006595900000000 ] - [ 0.0007348800000000, 0.0000000000000000, -0.0003384900000000 ] - [ 0.0056883000000000, 0.0000000000000000, -0.0011163400000000 ] - [ 0.0023575200000000, -0.0012956100000000, -0.0003827200000000 ] - [ 0.0023575200000000, 0.0012956100000000, -0.0003827200000000 ] - [ 0.0002632000000000, -0.0000226400000000, 0.0004968500000000 ] - [ 0.0002632000000000, 0.0000226400000000, 0.0004968500000000 ] - [ -0.0000133800000000, 0.0000000000000000, -0.0003779200000000 ] - [ 0.0003156600000000, 0.0000000000000000, 0.0001401400000000 ] - [ -0.0002383600000000, 0.0004702000000000, -0.0001048500000000 ] - [ -0.0002383600000000, -0.0004702000000000, -0.0001048500000000 ] - [ 0.0006279900000000, 0.0001886300000000, 0.0012578000000000 ] - [ 0.0006279900000000, -0.0001886300000000, 0.0012578000000000 ] - [ 0.0008265900000000, 0.0000000000000000, 0.0010043100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058825900000000, -0.0002699000000000, 0.0011916900000000 ] - [ 0.0054944800000000, -0.0002844100000000, -0.0009552300000000 ] - [ -0.0001988000000000, 0.0015414500000000, 0.0001225700000000 ] - [ -0.0001331500000000, -0.0010874900000000, 0.0002520800000000 ] - [ 0.0006573000000000, 0.0004866300000000, -0.0007763500000000 ] - [ -0.0008779900000000, 0.0004931100000000, 0.0012340100000000 ] - [ 0.0001062300000000, -0.0003399700000000, -0.0000310600000000 ] - [ 0.0001167600000000, -0.0003516200000000, -0.0004380800000000 ] - [ 0.0001129900000000, 0.0006988100000000, -0.0002343800000000 ] - [ 0.0002081600000000, -0.0003624800000000, -0.0001130600000000 ] - [ 0.0002367800000000, 0.0001775300000000, -0.0000045600000000 ] - [ 0.0001711800000000, 0.0001784500000000, -0.0002367200000000 ] - [ 0.0003114300000000, -0.0009814600000000, 0.0010714900000000 ] - [ -0.0001288200000000, -0.0009985600000000, -0.0001954700000000 ] - [ 0.0000960800000000, 0.0019791900000000, 0.0004344900000000 ] - [ -0.0008370500000000, -0.0011112000000000, -0.0034235200000000 ] - [ 0.0018610000000000, -0.0011191700000000, 0.0032010500000000 ] - [ 0.0005113500000000, 0.0022367800000000, -0.0001126500000000 ] - [ 0.0000553800000000, -0.0006739800000000, 0.0009286000000000 ] - [ 0.0001276000000000, 0.0003336900000000, 0.0012676900000000 ] - [ -0.0000156100000000, 0.0003387200000000, 0.0005868500000000 ] - [ 0.0005053400000000, -0.0066385900000000, -0.0004545900000000 ] - [ 0.0000095000000000, 0.0032876200000000, 0.0031263700000000 ] - [ 0.0010175400000000, 0.0032909800000000, -0.0039815800000000 ] - [ 0.0012737000000000, -0.1106847400000000, -0.0001417000000000 ] - [ 0.0004998300000000, 0.0420532600000000, 0.0000862500000000 ] - [ 0.0004794700000000, 0.0416789800000000, 0.0000060600000000 ] - [ -0.0002248700000000, -0.0007046000000000, -0.0009072400000000 ] - [ -0.0007907400000000, -0.0007103800000000, 0.0008133400000000 ] - [ -0.0005079900000000, 0.0014484700000000, -0.0000484800000000 ] - [ 0.0092042500000000, -0.0016568700000000, -0.0194460300000000 ] - [ -0.0102927700000000, -0.0016859300000000, 0.0203821100000000 ] - [ -0.0005231200000000, 0.0066665600000000, 0.0004475700000000 ] - [ 0.0134303000000000, -0.0024592700000000, 0.0105017100000000 ] - [ -0.0135633500000000, -0.0024885700000000, -0.0123808500000000 ] - [ -0.0000666300000000, 0.0048750500000000, -0.0009347300000000 ] - [ -0.0005116900000000, -0.0072336300000000, 0.0001095600000000 ] - [ 0.0013743000000000, 0.0035222200000000, 0.0004634500000000 ] - [ -0.0023863500000000, 0.0035292500000000, -0.0002314900000000 ] - [ -0.0000697000000000, -0.0030305000000000, -0.0004255700000000 ] - [ -0.0013113800000000, 0.0015424700000000, -0.0019621200000000 ] - [ 0.0011167000000000, 0.0015565200000000, 0.0010863500000000 ] - [ -0.0000688900000000, 0.0009113400000000, -0.0001478800000000 ] - [ -0.0002761200000000, -0.0004107400000000, -0.0015572100000000 ] - [ 0.0001498300000000, -0.0004111600000000, 0.0012533400000000 ] - [ -0.0124707100000000, -0.0013037600000000, -0.0220226100000000 ] - [ 0.0115297600000000, -0.0012738200000000, 0.0226297300000000 ] - [ -0.0004815000000000, -0.0009045900000000, 0.0002867700000000 ] - [ 0.0002184800000000, -0.0007115100000000, 0.0003746500000000 ] - [ -0.0030061100000000, 0.0005050800000000, -0.0034904000000000 ] - [ 0.0032027000000000, 0.0005090700000000, 0.0040629100000000 ] - [ -0.0003848100000000, -0.0000147900000000, 0.0001216600000000 ] - [ 0.0001571500000000, -0.0000150400000000, -0.0007118600000000 ] - [ -0.0001126300000000, 0.0000291900000000, -0.0003008500000000 ] - [ 0.0004896700000000, 0.0009286400000000, -0.0002592800000000 ] - [ 0.0002682600000000, -0.0003465700000000, 0.0009595000000000 ] - [ 0.0007117600000000, -0.0003473200000000, -0.0014780800000000 ] - [ 0.0005485900000000, 0.0000451200000000, -0.0001920400000000 ] - [ -0.0004207300000000, 0.0000457800000000, 0.0004951900000000 ] - [ 0.0000625900000000, -0.0000946700000000, 0.0001489200000000 ] - [ -0.0007404600000000, 0.0007098100000000, -0.0006796900000000 ] - [ -0.0009468000000000, -0.0003080900000000, 0.0005902900000000 ] - [ -0.0005555900000000, -0.0003118600000000, -0.0019384600000000 ] - [ 0.0114018400000000, 0.0013325600000000, 0.0049687300000000 ] - [ -0.0089007500000000, 0.0013197300000000, -0.0050273900000000 ] - [ 0.0012551400000000, -0.0006473300000000, -0.0000234500000000 ] - [ 0.0001070100000000, 0.0028226400000000, 0.0005028000000000 ] - [ -0.0012553700000000, -0.0013073200000000, 0.0009783500000000 ] - [ 0.0014480400000000, -0.0013076300000000, 0.0000186100000000 ] - [ -0.0006331900000000, 0.0002085000000000, 0.0002101600000000 ] - [ 0.0001401400000000, 0.0002112300000000, 0.0001657400000000 ] - [ -0.0002439300000000, -0.0004152500000000, 0.0001886800000000 ] - [ 0.0002227600000000, 0.0022058800000000, -0.0000124700000000 ] - [ -0.0004796200000000, -0.0010817200000000, -0.0004607400000000 ] - [ 0.0009118800000000, -0.0010841600000000, 0.0004344900000000 ] - [ -0.0017493800000000, 0.0005456600000000, 0.0106638000000000 ] - [ 0.0006849300000000, 0.0005455200000000, -0.0095089800000000 ] - [ -0.0005286900000000, -0.0009772800000000, 0.0005857200000000 ] - [ -0.0002635000000000, 0.0038026000000000, 0.0041557100000000 ] - [ -0.0004959400000000, 0.0042752500000000, -0.0070391300000000 ] - [ -0.0005670900000000, -0.0091995000000000, -0.0015784100000000 ] - [ -0.0008261900000000, 0.0009864400000000, 0.0006081500000000 ] - [ -0.0001346500000000, -0.0005052200000000, 0.0004888800000000 ] - [ -0.0014961300000000, -0.0005122900000000, 0.0007277700000000 ] - [ 0.0001446500000000, 0.0090066900000000, -0.0005222500000000 ] - [ 0.0014671200000000, -0.0016980200000000, 0.0035121100000000 ] - [ -0.0011134300000000, -0.0016967300000000, -0.0044862500000000 ] - [ -0.0003316900000000, -0.0008634800000000, 0.0004519600000000 ] - [ 0.0005498800000000, -0.0000389100000000, 0.0027528000000000 ] - [ -0.0011361200000000, -0.0000458700000000, -0.0017413100000000 ] - [ 0.0008480700000000, 0.0001674800000000, -0.0002017500000000 ] - [ 0.0002207800000000, 0.0001693500000000, 0.0004628800000000 ] - [ 0.0005305900000000, -0.0003439500000000, 0.0001348500000000 ] - [ 0.0003375300000000, 0.0009248400000000, 0.0003821200000000 ] - [ 0.0011030500000000, -0.0004906300000000, -0.0004718800000000 ] - [ -0.0004186100000000, -0.0004941100000000, 0.0012306700000000 ] - [ -0.0004060400000000, 0.0112696200000000, -0.0000691900000000 ] - [ 0.0019962900000000, -0.0041735400000000, -0.0048599800000000 ] - [ -0.0028750700000000, -0.0041692400000000, 0.0048661900000000 ] - [ 0.0035000100000000, 0.0013960700000000, 0.0033790200000000 ] - [ -0.0025981500000000, 0.0014090600000000, -0.0034075100000000 ] - [ 0.0004514100000000, -0.0028381600000000, -0.0000163000000000 ] - [ 0.0050663200000000, 0.0136457200000000, 0.0035194100000000 ] - [ -0.0068454900000000, 0.0150393000000000, -0.0042986900000000 ] - [ -0.0003081800000000, -0.0136278900000000, -0.0003853600000000 ] - [ -0.0005870500000000, 0.0044109100000000, -0.0001369000000000 ] - [ 0.0019425000000000, -0.0018182200000000, 0.0016068000000000 ] - [ -0.0029936400000000, -0.0018241800000000, -0.0018735700000000 ] - [ 0.0004354700000000, 0.0002945000000000, -0.0009995900000000 ] - [ 0.0001671000000000, 0.0003051100000000, -0.0000082300000000 ] - [ 0.0002961800000000, -0.0005660400000000, -0.0004982100000000 ] - [ -0.0000695700000000, 0.0001009400000000, 0.0005702700000000 ] - [ -0.0002721700000000, 0.0001033200000000, 0.0004280200000000 ] - [ -0.0001721700000000, -0.0002032200000000, 0.0005032500000000 ] - [ 0.0009050300000000, 0.0007902200000000, -0.0053753400000000 ] - [ 0.0007276200000000, 0.0008063000000000, 0.0041608000000000 ] - [ 0.0008160000000000, -0.0017143700000000, -0.0006036100000000 ] - [ 0.0005488100000000, 0.0003493600000000, 0.0015544700000000 ] - [ 0.0002511500000000, -0.0001926100000000, 0.0009417300000000 ] - [ 0.0008470400000000, -0.0001942100000000, 0.0021673200000000 ] - [ 0.0005351400000000, 0.0052997100000000, -0.0005994400000000 ] - [ 0.0010340600000000, -0.0022681500000000, -0.0010043200000000 ] - [ 0.0000323200000000, -0.0022703000000000, -0.0001911700000000 ] - [ -0.0029009600000000, 0.0014600400000000, 0.0016090900000000 ] - [ 0.0024607000000000, 0.0014601000000000, -0.0015791300000000 ] - [ -0.0002151800000000, -0.0026233400000000, 0.0000124700000000 ] - [ 0.0002493700000000, 0.0056182300000000, -0.0001882700000000 ] - [ 0.0006140100000000, -0.0026470000000000, 0.0000398900000000 ] - [ -0.0001214300000000, -0.0026551600000000, -0.0004159200000000 ] - [ 0.0002171200000000, 0.0001373500000000, 0.0005006700000000 ] - [ -0.0004164500000000, 0.0001373400000000, -0.0015000100000000 ] - [ -0.0000998500000000, -0.0002606300000000, -0.0004981100000000 ] - [ -0.0012637500000000, 0.0006547900000000, 0.0000194300000000 ] - [ -0.0009586800000000, -0.0003640800000000, -0.0004954700000000 ] - [ -0.0015672300000000, -0.0003650800000000, 0.0005294600000000 ] - [ 0.0006203600000000, 0.0004821100000000, 0.0009123800000000 ] - [ 0.0008774700000000, 0.0004918100000000, 0.0004344800000000 ] - [ 0.0007509500000000, -0.0009740000000000, 0.0006757700000000 ]- atom: 25 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0011109800000000, 0.0014539500000000, -0.0027594500000000 ] - [ -0.0011109800000000, -0.0014539500000000, -0.0027594500000000 ] - [ -0.0000651300000000, 0.0000000000000000, -0.0005746900000000 ] - [ -0.0080769700000000, 0.0000000000000000, 0.0074687400000000 ] - [ -0.0006883400000000, -0.0012689300000000, 0.0006350400000000 ] - [ -0.0006883400000000, 0.0012689300000000, 0.0006350400000000 ] - [ -0.0002538900000000, 0.0018977400000000, 0.0021130900000000 ] - [ -0.0002538900000000, -0.0018977400000000, 0.0021130900000000 ] - [ -0.0001689600000000, 0.0000000000000000, 0.0004944900000000 ] - [ 0.0001786400000000, 0.0000000000000000, 0.0006939700000000 ] - [ 0.0000279200000000, 0.0000170800000000, 0.0005419200000000 ] - [ 0.0000279200000000, -0.0000170800000000, 0.0005419200000000 ] - [ -0.0011642700000000, 0.0020962100000000, 0.0020899300000000 ] - [ -0.0011642700000000, -0.0020962100000000, 0.0020899300000000 ] - [ 0.0002412600000000, 0.0000000000000000, 0.0011292500000000 ] - [ 0.0024666400000000, -0.0012030500000000, 0.0021780500000000 ] - [ 0.0024666400000000, 0.0012030500000000, 0.0021780500000000 ] - [ 0.0009852200000000, 0.0000000000000000, 0.0010937400000000 ] - [ 0.0006790200000000, 0.0000000000000000, 0.0068395900000000 ] - [ 0.0004800300000000, -0.0004001600000000, 0.0045161900000000 ] - [ 0.0004800300000000, 0.0004001600000000, 0.0045161900000000 ] - [ 0.0070340800000000, 0.0000000000000000, 0.0223520100000000 ] - [ 0.0010507600000000, 0.0027886000000000, 0.0016613900000000 ] - [ 0.0010507600000000, -0.0027886000000000, 0.0016613900000000 ] - [ 0.0400920500000000, 0.0000000000000000, -0.1189416800000000 ] - [ 0.0000683400000000, -0.0001004300000000, -0.0099540100000000 ] - [ 0.0000683400000000, 0.0001004300000000, -0.0099540100000000 ] - [ -0.0015835700000000, -0.0009061600000000, 0.0050170000000000 ] - [ -0.0015835700000000, 0.0009061600000000, 0.0050170000000000 ] - [ -0.0006710800000000, 0.0000000000000000, 0.0026196600000000 ] - [ -0.0183416000000000, -0.0217349000000000, 0.0027030400000000 ] - [ -0.0183416000000000, 0.0217349000000000, 0.0027030400000000 ] - [ -0.0009113100000000, 0.0000000000000000, -0.0013633300000000 ] - [ 0.0054014800000000, 0.0058590700000000, -0.0082572900000000 ] - [ 0.0054014800000000, -0.0058590700000000, -0.0082572900000000 ] - [ 0.0001484800000000, 0.0000000000000000, -0.0044306700000000 ] - [ -0.0022495500000000, 0.0000000000000000, -0.0035066300000000 ] - [ -0.0013833800000000, 0.0008275100000000, -0.0020723500000000 ] - [ -0.0013833800000000, -0.0008275100000000, -0.0020723500000000 ] - [ 0.0100238500000000, 0.0000000000000000, 0.0054097500000000 ] - [ 0.0009429600000000, -0.0018570400000000, 0.0006906000000000 ] - [ 0.0009429600000000, 0.0018570400000000, 0.0006906000000000 ] - [ -0.0015111000000000, 0.0000000000000000, -0.0034160300000000 ] - [ 0.0007815700000000, 0.0001945300000000, -0.0027336600000000 ] - [ 0.0007815700000000, -0.0001945300000000, -0.0027336600000000 ] - [ 0.0048301700000000, -0.0032726200000000, 0.0015048300000000 ] - [ 0.0048301700000000, 0.0032726200000000, 0.0015048300000000 ] - [ -0.0000957800000000, 0.0000000000000000, -0.0010516200000000 ] - [ 0.0396404500000000, 0.0000000000000000, 0.0346245100000000 ] - [ 0.0014924800000000, -0.0012384400000000, 0.0007918500000000 ] - [ 0.0014924800000000, 0.0012384400000000, 0.0007918500000000 ] - [ 0.0004267300000000, 0.0000171700000000, 0.0036414400000000 ] - [ 0.0004267300000000, -0.0000171700000000, 0.0036414400000000 ] - [ 0.0003661400000000, 0.0000000000000000, 0.0012274600000000 ] - [ -0.0002783900000000, 0.0000000000000000, 0.0021020300000000 ] - [ -0.0003532800000000, -0.0006684900000000, 0.0017801500000000 ] - [ -0.0003532800000000, 0.0006684900000000, 0.0017801500000000 ] - [ 0.0007635600000000, -0.0001566200000000, 0.0038672200000000 ] - [ 0.0007635600000000, 0.0001566200000000, 0.0038672200000000 ] - [ 0.0003668500000000, 0.0000000000000000, 0.0024851900000000 ] - [ 0.0035441200000000, 0.0000000000000000, -0.0002245200000000 ] - [ -0.0002415100000000, 0.0006301000000000, 0.0003539500000000 ] - [ -0.0002415100000000, -0.0006301000000000, 0.0003539500000000 ] - [ -0.0013198500000000, -0.0001338900000000, 0.0001606400000000 ] - [ -0.0013198500000000, 0.0001338900000000, 0.0001606400000000 ] - [ 0.0010123400000000, 0.0000000000000000, 0.0004067100000000 ] - [ 0.0021189100000000, 0.0000000000000000, 0.0048458700000000 ] - [ -0.0002605500000000, -0.0001035800000000, 0.0030340500000000 ] - [ -0.0002605500000000, 0.0001035800000000, 0.0030340500000000 ] - [ -0.0008054200000000, -0.0000552000000000, -0.0010398900000000 ] - [ -0.0008054200000000, 0.0000552000000000, -0.0010398900000000 ] - [ -0.0002954600000000, 0.0000000000000000, -0.0006683000000000 ] - [ -0.0032443000000000, 0.0000000000000000, -0.0030257800000000 ] - [ 0.0002158400000000, -0.0004144000000000, -0.0016139900000000 ] - [ 0.0002158400000000, 0.0004144000000000, -0.0016139900000000 ] - [ -0.0028299400000000, 0.0024190100000000, -0.0006025800000000 ] - [ -0.0028299400000000, -0.0024190100000000, -0.0006025800000000 ] - [ -0.0015853000000000, 0.0000000000000000, 0.0013001800000000 ] - [ 0.0008953300000000, -0.0001732700000000, 0.0079175500000000 ] - [ 0.0008953300000000, 0.0001732700000000, 0.0079175500000000 ] - [ -0.0002176500000000, 0.0000000000000000, -0.0004642800000000 ] - [ -0.0040522700000000, 0.0000000000000000, -0.0018431700000000 ] - [ -0.0011648000000000, 0.0008106200000000, -0.0013322800000000 ] - [ -0.0011648000000000, -0.0008106200000000, -0.0013322800000000 ] - [ -0.0165060700000000, 0.0000000000000000, 0.0243268000000000 ] - [ -0.0008206000000000, 0.0028948500000000, 0.0019578900000000 ] - [ -0.0008206000000000, -0.0028948500000000, 0.0019578900000000 ] - [ -0.0109103200000000, 0.0000000000000000, -0.0168204600000000 ] - [ -0.0008616000000000, 0.0009231200000000, 0.0001920200000000 ] - [ -0.0008616000000000, -0.0009231200000000, 0.0001920200000000 ] - [ 0.0013961900000000, -0.0000068400000000, -0.0023591100000000 ] - [ 0.0013961900000000, 0.0000068400000000, -0.0023591100000000 ] - [ 0.0004703300000000, 0.0000000000000000, -0.0009833800000000 ] - [ 0.0021063000000000, 0.0000000000000000, -0.0040271000000000 ] - [ -0.0002060500000000, -0.0003735400000000, -0.0014651400000000 ] - [ -0.0002060500000000, 0.0003735400000000, -0.0014651400000000 ] - [ -0.0030259200000000, 0.0000000000000000, 0.0173422900000000 ] - [ -0.0027533900000000, -0.0023416000000000, 0.0016960500000000 ] - [ -0.0027533900000000, 0.0023416000000000, 0.0016960500000000 ] - [ 0.0020981300000000, 0.0035472100000000, -0.0035967500000000 ] - [ 0.0020981300000000, -0.0035472100000000, -0.0035967500000000 ] - [ 0.0014880400000000, 0.0000000000000000, -0.0005021400000000 ] - [ -0.0095442400000000, -0.0088724300000000, 0.0144304500000000 ] - [ -0.0095442400000000, 0.0088724300000000, 0.0144304500000000 ] - [ 0.0004485500000000, 0.0000000000000000, 0.0015931500000000 ] - [ -0.0231853800000000, 0.0000000000000000, -0.0012569300000000 ] - [ -0.0014057500000000, 0.0007333500000000, 0.0007293300000000 ] - [ -0.0014057500000000, -0.0007333500000000, 0.0007293300000000 ] - [ 0.0019148300000000, -0.0016581900000000, -0.0043013100000000 ] - [ 0.0019148300000000, 0.0016581900000000, -0.0043013100000000 ] - [ 0.0003705200000000, 0.0000000000000000, -0.0016613500000000 ] - [ -0.0005461100000000, -0.0002003500000000, -0.0033491600000000 ] - [ -0.0005461100000000, 0.0002003500000000, -0.0033491600000000 ] - [ -0.0003963000000000, 0.0000000000000000, -0.0013350600000000 ] - [ -0.0001016900000000, -0.0024511500000000, 0.0001738400000000 ] - [ -0.0001016900000000, 0.0024511500000000, 0.0001738400000000 ] - [ 0.0005018100000000, 0.0000000000000000, 0.0003744300000000 ] - [ 0.0003952100000000, 0.0000000000000000, 0.0003565700000000 ] - [ 0.0003968500000000, -0.0000859700000000, 0.0004647300000000 ] - [ 0.0003968500000000, 0.0000859700000000, 0.0004647300000000 ] - [ 0.0036920300000000, 0.0000000000000000, -0.0017172100000000 ] - [ 0.0031119800000000, -0.0023237200000000, -0.0030753300000000 ] - [ 0.0031119800000000, 0.0023237200000000, -0.0030753300000000 ] - [ 0.0016540800000000, -0.0002772600000000, 0.0038779400000000 ] - [ 0.0016540800000000, 0.0002772600000000, 0.0038779400000000 ] - [ -0.0002775700000000, 0.0000000000000000, 0.0019697100000000 ] - [ 0.0010705200000000, 0.0000000000000000, 0.0011893500000000 ] - [ -0.0013132000000000, 0.0011127500000000, 0.0006881600000000 ] - [ -0.0013132000000000, -0.0011127500000000, 0.0006881600000000 ] - [ -0.0001897700000000, 0.0002552400000000, -0.0034418800000000 ] - [ -0.0001897700000000, -0.0002552400000000, -0.0034418800000000 ] - [ 0.0000424100000000, 0.0000000000000000, -0.0023565400000000 ] - [ -0.0004180100000000, 0.0000000000000000, -0.0003875700000000 ] - [ -0.0005049600000000, -0.0000668900000000, -0.0003486800000000 ] - [ -0.0005049600000000, 0.0000668900000000, -0.0003486800000000 ] - [ -0.0003062500000000, -0.0014816500000000, -0.0023385000000000 ] - [ -0.0003062500000000, 0.0014816500000000, -0.0023385000000000 ] - [ 0.0004040400000000, 0.0000000000000000, -0.0012209400000000 ]- atom: 25 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0006755200000000, -0.0014446500000000, 0.0030320900000000 ] - [ 0.0006755200000000, 0.0014446500000000, 0.0030320900000000 ] - [ -0.0003447400000000, 0.0000000000000000, 0.0008303800000000 ] - [ 0.0079133300000000, 0.0000000000000000, -0.0070800100000000 ] - [ 0.0004639800000000, 0.0012770900000000, -0.0001676600000000 ] - [ 0.0004639800000000, -0.0012770900000000, -0.0001676600000000 ] - [ 0.0004791400000000, -0.0019090300000000, -0.0025861000000000 ] - [ 0.0004791400000000, 0.0019090300000000, -0.0025861000000000 ] - [ 0.0003945900000000, 0.0000000000000000, -0.0009576700000000 ] - [ 0.0002209700000000, 0.0000000000000000, -0.0009543100000000 ] - [ 0.0003731600000000, -0.0000164500000000, -0.0007982100000000 ] - [ 0.0003731600000000, 0.0000164500000000, -0.0007982100000000 ] - [ 0.0013719500000000, -0.0021086500000000, -0.0012157100000000 ] - [ 0.0013719500000000, 0.0021086500000000, -0.0012157100000000 ] - [ -0.0000481600000000, 0.0000000000000000, -0.0002503400000000 ] - [ -0.0014464700000000, 0.0012021800000000, -0.0024296600000000 ] - [ -0.0014464700000000, -0.0012021800000000, -0.0024296600000000 ] - [ 0.0000290800000000, 0.0000000000000000, -0.0013396100000000 ] - [ -0.0005595400000000, 0.0000000000000000, -0.0050009500000000 ] - [ -0.0003658000000000, 0.0004043100000000, -0.0026771400000000 ] - [ -0.0003658000000000, -0.0004043100000000, -0.0026771400000000 ] - [ -0.0059847500000000, 0.0000000000000000, -0.0230487600000000 ] - [ -0.0000151600000000, -0.0027774400000000, -0.0025450000000000 ] - [ -0.0000151600000000, 0.0027774400000000, -0.0025450000000000 ] - [ -0.0382734500000000, 0.0000000000000000, 0.1197257100000000 ] - [ 0.0009620700000000, -0.0000275500000000, 0.0100844500000000 ] - [ 0.0009620700000000, 0.0000275500000000, 0.0100844500000000 ] - [ 0.0005670000000000, 0.0008990900000000, -0.0051303300000000 ] - [ 0.0005670000000000, -0.0008990900000000, -0.0051303300000000 ] - [ -0.0003414800000000, 0.0000000000000000, -0.0027313100000000 ] - [ 0.0171463400000000, 0.0215389100000000, -0.0018024100000000 ] - [ 0.0171463400000000, -0.0215389100000000, -0.0018024100000000 ] - [ -0.0001040300000000, 0.0000000000000000, 0.0022062300000000 ] - [ -0.0054988700000000, -0.0058920600000000, 0.0064920100000000 ] - [ -0.0054988700000000, 0.0058920600000000, 0.0064920100000000 ] - [ -0.0002466000000000, 0.0000000000000000, 0.0026107400000000 ] - [ 0.0011924900000000, 0.0000000000000000, 0.0037415000000000 ] - [ 0.0003393800000000, -0.0008283500000000, 0.0022992300000000 ] - [ 0.0003393800000000, 0.0008283500000000, 0.0022992300000000 ] - [ -0.0102666600000000, 0.0000000000000000, -0.0063171200000000 ] - [ -0.0011363900000000, 0.0018636900000000, -0.0015560200000000 ] - [ -0.0011363900000000, -0.0018636900000000, -0.0015560200000000 ] - [ 0.0014005600000000, 0.0000000000000000, 0.0031677800000000 ] - [ -0.0009063600000000, -0.0001949600000000, 0.0024599600000000 ] - [ -0.0009063600000000, 0.0001949600000000, 0.0024599600000000 ] - [ -0.0058268600000000, 0.0032335400000000, -0.0011510800000000 ] - [ -0.0058268600000000, -0.0032335400000000, -0.0011510800000000 ] - [ -0.0008975000000000, 0.0000000000000000, 0.0015477100000000 ] - [ -0.0396651400000000, 0.0000000000000000, -0.0344585800000000 ] - [ -0.0012765300000000, 0.0012428400000000, -0.0001833800000000 ] - [ -0.0012765300000000, -0.0012428400000000, -0.0001833800000000 ] - [ -0.0006507400000000, -0.0000171300000000, -0.0042586100000000 ] - [ -0.0006507400000000, 0.0000171300000000, -0.0042586100000000 ] - [ -0.0005931900000000, 0.0000000000000000, -0.0018297000000000 ] - [ 0.0012531800000000, 0.0000000000000000, -0.0026319000000000 ] - [ 0.0013260400000000, 0.0006617300000000, -0.0023001600000000 ] - [ 0.0013260400000000, -0.0006617300000000, -0.0023001600000000 ] - [ -0.0006373800000000, 0.0001574800000000, -0.0035822100000000 ] - [ -0.0006373800000000, -0.0001574800000000, -0.0035822100000000 ] - [ -0.0002374200000000, 0.0000000000000000, -0.0021952500000000 ] - [ -0.0050884300000000, 0.0000000000000000, -0.0011459700000000 ] - [ -0.0012657200000000, -0.0006338300000000, -0.0017212100000000 ] - [ -0.0012657200000000, 0.0006338300000000, -0.0017212100000000 ] - [ 0.0039059700000000, 0.0001436700000000, -0.0001582000000000 ] - [ 0.0039059700000000, -0.0001436700000000, -0.0001582000000000 ] - [ 0.0015298600000000, 0.0000000000000000, -0.0004355600000000 ] - [ -0.0018987300000000, 0.0000000000000000, -0.0038793100000000 ] - [ 0.0004713600000000, 0.0001080900000000, -0.0020531700000000 ] - [ 0.0004713600000000, -0.0001080900000000, -0.0020531700000000 ] - [ 0.0003140200000000, 0.0000571500000000, 0.0014207900000000 ] - [ 0.0003140200000000, -0.0000571500000000, 0.0014207900000000 ] - [ -0.0001976100000000, 0.0000000000000000, 0.0010485500000000 ] - [ 0.0036654200000000, 0.0000000000000000, 0.0030081800000000 ] - [ 0.0002167900000000, 0.0004152400000000, 0.0015968600000000 ] - [ 0.0002167900000000, -0.0004152400000000, 0.0015968600000000 ] - [ 0.0017347300000000, -0.0023946200000000, 0.0018344300000000 ] - [ 0.0017347300000000, 0.0023946200000000, 0.0018344300000000 ] - [ 0.0005214100000000, 0.0000000000000000, -0.0000946200000000 ] - [ -0.0019179700000000, 0.0000245400000000, -0.0109364800000000 ] - [ -0.0019179700000000, -0.0000245400000000, -0.0109364800000000 ] - [ -0.0008670600000000, 0.0000000000000000, -0.0026224700000000 ] - [ 0.0024256000000000, 0.0000000000000000, 0.0030637400000000 ] - [ -0.0004703500000000, -0.0008158000000000, 0.0025551200000000 ] - [ -0.0004703500000000, 0.0008158000000000, 0.0025551200000000 ] - [ 0.0171005800000000, 0.0000000000000000, -0.0278827300000000 ] - [ 0.0011713300000000, -0.0029190000000000, -0.0029901000000000 ] - [ 0.0011713300000000, 0.0029190000000000, -0.0029901000000000 ] - [ 0.0103468400000000, 0.0000000000000000, 0.0178899600000000 ] - [ 0.0002715800000000, -0.0009290000000000, 0.0007959400000000 ] - [ 0.0002715800000000, 0.0009290000000000, 0.0007959400000000 ] - [ -0.0003412000000000, 0.0000077800000000, 0.0026351100000000 ] - [ -0.0003412000000000, -0.0000077800000000, 0.0026351100000000 ] - [ 0.0005931000000000, 0.0000000000000000, 0.0012520500000000 ] - [ -0.0014127900000000, 0.0000000000000000, 0.0047794400000000 ] - [ 0.0008863300000000, 0.0003716600000000, 0.0022357600000000 ] - [ 0.0008863300000000, -0.0003716600000000, 0.0022357600000000 ] - [ 0.0012015800000000, 0.0000000000000000, -0.0152141900000000 ] - [ 0.0018286900000000, 0.0023285700000000, -0.0016474700000000 ] - [ 0.0018286900000000, -0.0023285700000000, -0.0016474700000000 ] - [ -0.0011897500000000, -0.0035481500000000, 0.0035776300000000 ] - [ -0.0011897500000000, 0.0035481500000000, 0.0035776300000000 ] - [ -0.0005828700000000, 0.0000000000000000, 0.0004900000000000 ] - [ 0.0088709000000000, 0.0088672300000000, -0.0152742400000000 ] - [ 0.0088709000000000, -0.0088672300000000, -0.0152742400000000 ] - [ -0.0011669200000000, 0.0000000000000000, -0.0023481500000000 ] - [ 0.0223265400000000, 0.0000000000000000, 0.0009929900000000 ] - [ 0.0003439600000000, -0.0007344500000000, -0.0010148300000000 ] - [ 0.0003439600000000, 0.0007344500000000, -0.0010148300000000 ] - [ -0.0013352700000000, 0.0016697900000000, 0.0033244200000000 ] - [ -0.0013352700000000, -0.0016697900000000, 0.0033244200000000 ] - [ 0.0002224700000000, 0.0000000000000000, 0.0006643600000000 ] - [ 0.0002029500000000, 0.0002027600000000, 0.0043659900000000 ] - [ 0.0002029500000000, -0.0002027600000000, 0.0043659900000000 ] - [ 0.0000540600000000, 0.0000000000000000, 0.0023454000000000 ] - [ 0.0017383700000000, 0.0024578500000000, -0.0014172100000000 ] - [ 0.0017383700000000, -0.0024578500000000, -0.0014172100000000 ] - [ 0.0011296800000000, 0.0000000000000000, -0.0016079700000000 ] - [ 0.0007087500000000, 0.0000000000000000, 0.0027613400000000 ] - [ 0.0007058700000000, 0.0000844300000000, 0.0026509500000000 ] - [ 0.0007058700000000, -0.0000844300000000, 0.0026509500000000 ] - [ -0.0026348800000000, 0.0000000000000000, 0.0005292000000000 ] - [ -0.0020327800000000, 0.0022983600000000, 0.0018704600000000 ] - [ -0.0020327800000000, -0.0022983600000000, 0.0018704600000000 ] - [ -0.0020630900000000, 0.0002690800000000, -0.0038487600000000 ] - [ -0.0020630900000000, -0.0002690800000000, -0.0038487600000000 ] - [ -0.0001530900000000, 0.0000000000000000, -0.0019480500000000 ] - [ -0.0005952100000000, 0.0000000000000000, -0.0015787600000000 ] - [ 0.0018060600000000, -0.0011143300000000, -0.0010715600000000 ] - [ 0.0018060600000000, 0.0011143300000000, -0.0010715600000000 ] - [ -0.0000072400000000, -0.0002549900000000, 0.0024598200000000 ] - [ -0.0000072400000000, 0.0002549900000000, 0.0024598200000000 ] - [ -0.0002401900000000, 0.0000000000000000, 0.0013719300000000 ] - [ -0.0021064900000000, 0.0000000000000000, 0.0004304500000000 ] - [ -0.0020143900000000, 0.0000692000000000, 0.0003875200000000 ] - [ -0.0020143900000000, -0.0000692000000000, 0.0003875200000000 ] - [ 0.0018138800000000, 0.0014874100000000, 0.0036982300000000 ] - [ 0.0018138800000000, -0.0014874100000000, 0.0036982300000000 ] - [ 0.0010986900000000, 0.0000000000000000, 0.0025759100000000 ]- atom: 43 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0017379100000000, 0.0061920700000000, -0.0049280100000000 ] - [ 0.0017379100000000, -0.0061920700000000, -0.0049280100000000 ] - [ -0.0000566800000000, 0.0000000000000000, -0.0001759700000000 ] - [ 0.0052452100000000, 0.0000000000000000, 0.0037576000000000 ] - [ 0.0007538600000000, -0.0007313300000000, 0.0001094300000000 ] - [ 0.0007538600000000, 0.0007313300000000, 0.0001094300000000 ] - [ 0.0007864500000000, 0.0001107700000000, -0.0005963600000000 ] - [ 0.0007864500000000, -0.0001107700000000, -0.0005963600000000 ] - [ 0.0006339600000000, 0.0000000000000000, -0.0006022300000000 ] - [ 0.0002458900000000, 0.0000000000000000, -0.0005363900000000 ] - [ 0.0002269600000000, -0.0000895500000000, -0.0002680400000000 ] - [ 0.0002269600000000, 0.0000895500000000, -0.0002680400000000 ] - [ -0.0138062300000000, 0.0122270900000000, 0.0079494200000000 ] - [ -0.0138062300000000, -0.0122270900000000, 0.0079494200000000 ] - [ -0.0005481600000000, 0.0000000000000000, -0.0014560200000000 ] - [ 0.0006975200000000, 0.0008438900000000, -0.0009175300000000 ] - [ 0.0006975200000000, -0.0008438900000000, -0.0009175300000000 ] - [ 0.0000165600000000, 0.0000000000000000, 0.0003226100000000 ] - [ -0.0006365800000000, 0.0000000000000000, 0.0027178500000000 ] - [ -0.0001107700000000, -0.0002141200000000, 0.0028894300000000 ] - [ -0.0001107700000000, 0.0002141200000000, 0.0028894300000000 ] - [ 0.0010474600000000, 0.0000000000000000, 0.0003244000000000 ] - [ 0.0008913700000000, -0.0003739500000000, 0.0004317900000000 ] - [ 0.0008913700000000, 0.0003739500000000, 0.0004317900000000 ] - [ 0.0057340400000000, 0.0000000000000000, -0.0002098700000000 ] - [ 0.0024322000000000, 0.0002360400000000, 0.0013561300000000 ] - [ 0.0024322000000000, -0.0002360400000000, 0.0013561300000000 ] - [ -0.0004875300000000, 0.0004806100000000, 0.0007222700000000 ] - [ -0.0004875300000000, -0.0004806100000000, 0.0007222700000000 ] - [ -0.0001733800000000, 0.0000000000000000, 0.0003691200000000 ] - [ -0.0009520800000000, 0.0009495300000000, 0.0037451500000000 ] - [ -0.0009520800000000, -0.0009495300000000, 0.0037451500000000 ] - [ -0.0004170200000000, 0.0000000000000000, 0.0016913300000000 ] - [ 0.0247987500000000, -0.0254642900000000, -0.0005894400000000 ] - [ 0.0247987500000000, 0.0254642900000000, -0.0005894400000000 ] - [ -0.0009758500000000, 0.0000000000000000, 0.0003412600000000 ] - [ -0.0198691300000000, 0.0000000000000000, -0.0034499400000000 ] - [ -0.0029434600000000, -0.0001508900000000, 0.0004247700000000 ] - [ -0.0029434600000000, 0.0001508900000000, 0.0004247700000000 ] - [ 0.0004189900000000, 0.0000000000000000, -0.0074176600000000 ] - [ -0.0024268000000000, 0.0019744700000000, -0.0038605800000000 ] - [ -0.0024268000000000, -0.0019744700000000, -0.0038605800000000 ] - [ -0.4265305200000000, 0.0000000000000000, -0.0131383300000000 ] - [ -0.0064276400000000, -0.0005131200000000, -0.0010574100000000 ] - [ -0.0064276400000000, 0.0005131200000000, -0.0010574100000000 ] - [ 0.0008437600000000, 0.0001390700000000, 0.0001409800000000 ] - [ 0.0008437600000000, -0.0001390700000000, 0.0001409800000000 ] - [ -0.0007716200000000, 0.0000000000000000, 0.0011126300000000 ] - [ 0.0056852900000000, 0.0000000000000000, -0.0000058100000000 ] - [ 0.0045111300000000, -0.0010782600000000, -0.0005902100000000 ] - [ 0.0045111300000000, 0.0010782600000000, -0.0005902100000000 ] - [ 0.0010432100000000, -0.0000787600000000, 0.0013307800000000 ] - [ 0.0010432100000000, 0.0000787600000000, 0.0013307800000000 ] - [ 0.0006922000000000, 0.0000000000000000, -0.0003395700000000 ] - [ 0.0001544900000000, 0.0000000000000000, -0.0014971000000000 ] - [ 0.0002541700000000, -0.0000842100000000, 0.0004778100000000 ] - [ 0.0002541700000000, 0.0000842100000000, 0.0004778100000000 ] - [ -0.0014708500000000, 0.0000220400000000, -0.0013387500000000 ] - [ -0.0014708500000000, -0.0000220400000000, -0.0013387500000000 ] - [ -0.0022053100000000, 0.0000000000000000, -0.0013723400000000 ] - [ 0.1192219800000000, 0.0000000000000000, 0.0898950900000000 ] - [ 0.0012023200000000, 0.0018992600000000, 0.0014876300000000 ] - [ 0.0012023200000000, -0.0018992600000000, 0.0014876300000000 ] - [ 0.0008503000000000, -0.0016594600000000, 0.0017845600000000 ] - [ 0.0008503000000000, 0.0016594600000000, 0.0017845600000000 ] - [ 0.0021305800000000, 0.0000000000000000, -0.0003441300000000 ] - [ 0.0901603800000000, 0.0000000000000000, -0.0670595100000000 ] - [ 0.0017716900000000, 0.0014678000000000, 0.0008240800000000 ] - [ 0.0017716900000000, -0.0014678000000000, 0.0008240800000000 ] - [ 0.0009565000000000, -0.0001467300000000, 0.0001944600000000 ] - [ 0.0009565000000000, 0.0001467300000000, 0.0001944600000000 ] - [ 0.0014791900000000, 0.0000000000000000, -0.0002278700000000 ] - [ 0.0001366500000000, 0.0000000000000000, -0.0003594000000000 ] - [ 0.0002371500000000, 0.0004368600000000, -0.0003654700000000 ] - [ 0.0002371500000000, -0.0004368600000000, -0.0003654700000000 ] - [ -0.0010875100000000, 0.0000424300000000, 0.0010062400000000 ] - [ -0.0010875100000000, -0.0000424300000000, 0.0010062400000000 ] - [ -0.0001829400000000, 0.0000000000000000, -0.0000890800000000 ] - [ -0.0027763700000000, -0.0003689200000000, -0.0017527100000000 ] - [ -0.0027763700000000, 0.0003689200000000, -0.0017527100000000 ] - [ -0.0011271400000000, 0.0000000000000000, -0.0022449100000000 ] - [ 0.0030456200000000, 0.0000000000000000, -0.0018549200000000 ] - [ 0.0032598000000000, 0.0062179600000000, -0.0028256100000000 ] - [ 0.0032598000000000, -0.0062179600000000, -0.0028256100000000 ] - [ -0.0042676900000000, 0.0000000000000000, -0.0011443700000000 ] - [ -0.0018016600000000, 0.0003939400000000, -0.0010464300000000 ] - [ -0.0018016600000000, -0.0003939400000000, -0.0010464300000000 ] - [ -0.0016773300000000, 0.0000000000000000, 0.0016313900000000 ] - [ -0.0011785800000000, 0.0005942100000000, 0.0021368600000000 ] - [ -0.0011785800000000, -0.0005942100000000, 0.0021368600000000 ] - [ 0.0001118900000000, 0.0002870900000000, -0.0017027800000000 ] - [ 0.0001118900000000, -0.0002870900000000, -0.0017027800000000 ] - [ -0.0001609100000000, 0.0000000000000000, 0.0000645300000000 ] - [ 0.0001176100000000, 0.0000000000000000, -0.0001424100000000 ] - [ 0.0001737000000000, 0.0002403700000000, -0.0001294900000000 ] - [ 0.0001737000000000, -0.0002403700000000, -0.0001294900000000 ] - [ -0.0008008800000000, 0.0000000000000000, -0.0009866100000000 ] - [ -0.0005255400000000, -0.0000166400000000, -0.0008663900000000 ] - [ -0.0005255400000000, 0.0000166400000000, -0.0008663900000000 ] - [ 0.0003508300000000, -0.0002971300000000, -0.0009519700000000 ] - [ 0.0003508300000000, 0.0002971300000000, -0.0009519700000000 ] - [ 0.0001461500000000, 0.0000000000000000, -0.0007209400000000 ] - [ -0.0049823900000000, -0.0013444900000000, -0.0041405900000000 ] - [ -0.0049823900000000, 0.0013444900000000, -0.0041405900000000 ] - [ -0.0009081400000000, 0.0000000000000000, -0.0013614200000000 ] - [ -0.0063983100000000, 0.0000000000000000, 0.0030816400000000 ] - [ -0.0055166500000000, -0.0049915400000000, 0.0041557300000000 ] - [ -0.0055166500000000, 0.0049915400000000, 0.0041557300000000 ] - [ 0.0001938200000000, -0.0012701300000000, -0.0023894200000000 ] - [ 0.0001938200000000, 0.0012701300000000, -0.0023894200000000 ] - [ 0.0000763500000000, 0.0000000000000000, -0.0004500900000000 ] - [ -0.0013748400000000, -0.0000127500000000, -0.0003435400000000 ] - [ -0.0013748400000000, 0.0000127500000000, -0.0003435400000000 ] - [ -0.0008136100000000, 0.0000000000000000, 0.0004074500000000 ] - [ 0.0011423300000000, 0.0040904600000000, 0.0063481900000000 ] - [ 0.0011423300000000, -0.0040904600000000, 0.0063481900000000 ] - [ 0.0027145100000000, 0.0000000000000000, 0.0002473300000000 ] - [ 0.0008448200000000, 0.0000000000000000, 0.0024089600000000 ] - [ 0.0003007800000000, 0.0001226000000000, 0.0011416000000000 ] - [ 0.0003007800000000, -0.0001226000000000, 0.0011416000000000 ] - [ 0.0056598200000000, 0.0000000000000000, 0.0014241100000000 ] - [ 0.0009131700000000, -0.0001408300000000, -0.0012381400000000 ] - [ 0.0009131700000000, 0.0001408300000000, -0.0012381400000000 ] - [ 0.0026599200000000, 0.0006774300000000, -0.0062601700000000 ] - [ 0.0026599200000000, -0.0006774300000000, -0.0062601700000000 ] - [ 0.0001277000000000, 0.0000000000000000, -0.0008856900000000 ] - [ 0.2018256300000000, 0.0000000000000000, -0.0128321000000000 ] - [ 0.0051146100000000, -0.0026549800000000, -0.0001125400000000 ] - [ 0.0051146100000000, 0.0026549800000000, -0.0001125400000000 ] - [ 0.0001745700000000, -0.0002024200000000, 0.0003733000000000 ] - [ 0.0001745700000000, 0.0002024200000000, 0.0003733000000000 ] - [ 0.0002995000000000, 0.0000000000000000, 0.0000815300000000 ] - [ -0.0016059900000000, 0.0000000000000000, 0.0025251000000000 ] - [ -0.0009443100000000, 0.0002254800000000, -0.0003507800000000 ] - [ -0.0009443100000000, -0.0002254800000000, -0.0003507800000000 ] - [ 0.0010395500000000, 0.0002689000000000, 0.0023971600000000 ] - [ 0.0010395500000000, -0.0002689000000000, 0.0023971600000000 ] - [ 0.0010326200000000, 0.0000000000000000, 0.0028899300000000 ]- atom: 43 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0020955000000000, -0.0062118900000000, 0.0052089400000000 ] - [ -0.0020955000000000, 0.0062118900000000, 0.0052089400000000 ] - [ -0.0003448800000000, 0.0000000000000000, 0.0004251100000000 ] - [ -0.0054965000000000, 0.0000000000000000, -0.0033764800000000 ] - [ -0.0009770100000000, 0.0007311900000000, 0.0003505300000000 ] - [ -0.0009770100000000, -0.0007311900000000, 0.0003505300000000 ] - [ -0.0005569600000000, -0.0001103900000000, 0.0001327800000000 ] - [ -0.0005569600000000, 0.0001103900000000, 0.0001327800000000 ] - [ -0.0004047400000000, 0.0000000000000000, 0.0001404800000000 ] - [ 0.0001611100000000, 0.0000000000000000, 0.0002899600000000 ] - [ 0.0001776300000000, 0.0000892600000000, 0.0000160900000000 ] - [ 0.0001776300000000, -0.0000892600000000, 0.0000160900000000 ] - [ 0.0139285700000000, -0.0121849200000000, -0.0070267300000000 ] - [ 0.0139285700000000, 0.0121849200000000, -0.0070267300000000 ] - [ 0.0007353900000000, 0.0000000000000000, 0.0023294400000000 ] - [ 0.0003218000000000, -0.0008434400000000, 0.0006764600000000 ] - [ 0.0003218000000000, 0.0008434400000000, 0.0006764600000000 ] - [ 0.0010024200000000, 0.0000000000000000, -0.0005574600000000 ] - [ 0.0007447200000000, 0.0000000000000000, -0.0008674800000000 ] - [ 0.0002209600000000, 0.0002124600000000, -0.0010375500000000 ] - [ 0.0002209600000000, -0.0002124600000000, -0.0010375500000000 ] - [ -0.0000171000000000, 0.0000000000000000, -0.0011929300000000 ] - [ 0.0001360400000000, 0.0003732700000000, -0.0013030800000000 ] - [ 0.0001360400000000, -0.0003732700000000, -0.0013030800000000 ] - [ -0.0047246800000000, 0.0000000000000000, 0.0003376700000000 ] - [ -0.0014124500000000, -0.0002253200000000, -0.0012449500000000 ] - [ -0.0014124500000000, 0.0002253200000000, -0.0012449500000000 ] - [ -0.0005274900000000, -0.0004795400000000, -0.0008243700000000 ] - [ -0.0005274900000000, 0.0004795400000000, -0.0008243700000000 ] - [ -0.0008411800000000, 0.0000000000000000, -0.0004737800000000 ] - [ -0.0000760000000000, -0.0009501200000000, -0.0028557500000000 ] - [ -0.0000760000000000, 0.0009501200000000, -0.0028557500000000 ] - [ -0.0006114300000000, 0.0000000000000000, -0.0008135700000000 ] - [ -0.0246473100000000, 0.0253117700000000, -0.0012280900000000 ] - [ -0.0246473100000000, -0.0253117700000000, -0.0012280900000000 ] - [ 0.0008530200000000, 0.0000000000000000, -0.0021792000000000 ] - [ 0.0187353500000000, 0.0000000000000000, 0.0036938800000000 ] - [ 0.0019065200000000, 0.0001522100000000, -0.0001951900000000 ] - [ 0.0019065200000000, -0.0001522100000000, -0.0001951900000000 ] - [ -0.0005920500000000, 0.0000000000000000, 0.0065108000000000 ] - [ 0.0022298200000000, -0.0019579000000000, 0.0029760300000000 ] - [ 0.0022298200000000, 0.0019579000000000, 0.0029760300000000 ] - [ 0.4108528300000000, 0.0000000000000000, 0.0170569600000000 ] - [ 0.0062877000000000, 0.0005022600000000, 0.0007667500000000 ] - [ 0.0062877000000000, -0.0005022600000000, 0.0007667500000000 ] - [ -0.0018023600000000, -0.0001354700000000, 0.0003974100000000 ] - [ -0.0018023600000000, 0.0001354700000000, 0.0003974100000000 ] - [ -0.0002105300000000, 0.0000000000000000, -0.0005796900000000 ] - [ -0.0054793200000000, 0.0000000000000000, 0.0005908300000000 ] - [ -0.0042737100000000, 0.0010762900000000, 0.0011868800000000 ] - [ -0.0042737100000000, -0.0010762900000000, 0.0011868800000000 ] - [ -0.0012676100000000, 0.0000780000000000, -0.0019238600000000 ] - [ -0.0012676100000000, -0.0000780000000000, -0.0019238600000000 ] - [ -0.0009170200000000, 0.0000000000000000, -0.0002604600000000 ] - [ 0.0008298700000000, 0.0000000000000000, 0.0009667800000000 ] - [ 0.0007270300000000, 0.0000838100000000, -0.0010041500000000 ] - [ 0.0007270300000000, -0.0000838100000000, -0.0010041500000000 ] - [ 0.0015911800000000, -0.0000216800000000, 0.0016253300000000 ] - [ 0.0015911800000000, 0.0000216800000000, 0.0016253300000000 ] - [ 0.0023223600000000, 0.0000000000000000, 0.0016577500000000 ] - [ -0.1230070200000000, 0.0000000000000000, -0.0966831900000000 ] - [ -0.0027054400000000, -0.0018952500000000, -0.0028433000000000 ] - [ -0.0027054400000000, 0.0018952500000000, -0.0028433000000000 ] - [ 0.0016694500000000, 0.0016390000000000, -0.0018016900000000 ] - [ 0.0016694500000000, -0.0016390000000000, -0.0018016900000000 ] - [ 0.0004019300000000, 0.0000000000000000, 0.0003057700000000 ] - [ -0.0900894300000000, 0.0000000000000000, 0.0704179700000000 ] - [ -0.0015705200000000, -0.0014575600000000, 0.0001696000000000 ] - [ -0.0015705200000000, 0.0014575600000000, 0.0001696000000000 ] - [ -0.0014426200000000, 0.0001458900000000, 0.0001843200000000 ] - [ -0.0014426200000000, -0.0001458900000000, 0.0001843200000000 ] - [ -0.0019620400000000, 0.0000000000000000, 0.0006051700000000 ] - [ 0.0002955600000000, 0.0000000000000000, 0.0003368000000000 ] - [ 0.0001965500000000, -0.0004356900000000, 0.0003428000000000 ] - [ 0.0001965500000000, 0.0004356900000000, 0.0003428000000000 ] - [ 0.0000222700000000, -0.0000417500000000, 0.0001808900000000 ] - [ 0.0000222700000000, 0.0000417500000000, 0.0001808900000000 ] - [ -0.0008758800000000, 0.0000000000000000, 0.0012745400000000 ] - [ 0.0016655500000000, 0.0003718700000000, -0.0013769100000000 ] - [ 0.0016655500000000, -0.0003718700000000, -0.0013769100000000 ] - [ 0.0000228400000000, 0.0000000000000000, -0.0008729500000000 ] - [ -0.0046512100000000, 0.0000000000000000, 0.0030677800000000 ] - [ -0.0048758600000000, -0.0061969000000000, 0.0040349400000000 ] - [ -0.0048758600000000, 0.0061969000000000, 0.0040349400000000 ] - [ 0.0046405800000000, 0.0000000000000000, 0.0001467400000000 ] - [ 0.0021406600000000, -0.0003954000000000, 0.0000377900000000 ] - [ 0.0021406600000000, 0.0003954000000000, 0.0000377900000000 ] - [ 0.0010887500000000, 0.0000000000000000, -0.0006326100000000 ] - [ 0.0005826100000000, -0.0005927000000000, -0.0011364600000000 ] - [ 0.0005826100000000, 0.0005927000000000, -0.0011364600000000 ] - [ 0.0009500800000000, -0.0002854200000000, 0.0019644100000000 ] - [ 0.0009500800000000, 0.0002854200000000, 0.0019644100000000 ] - [ 0.0012218000000000, 0.0000000000000000, 0.0002030800000000 ] - [ 0.0005657700000000, 0.0000000000000000, 0.0009040000000000 ] - [ 0.0005095700000000, -0.0002398000000000, 0.0008918900000000 ] - [ 0.0005095700000000, 0.0002398000000000, 0.0008918900000000 ] - [ -0.0001019500000000, 0.0000000000000000, 0.0009957000000000 ] - [ -0.0003798500000000, 0.0000147100000000, 0.0008831000000000 ] - [ -0.0003798500000000, -0.0000147100000000, 0.0008831000000000 ] - [ 0.0005537800000000, 0.0002966700000000, 0.0009255500000000 ] - [ 0.0005537800000000, -0.0002966700000000, 0.0009255500000000 ] - [ 0.0007587300000000, 0.0000000000000000, 0.0006970700000000 ] - [ 0.0042781900000000, 0.0013489300000000, 0.0033570300000000 ] - [ 0.0042781900000000, -0.0013489300000000, 0.0033570300000000 ] - [ 0.0002280300000000, 0.0000000000000000, 0.0005948700000000 ] - [ 0.0053947400000000, 0.0000000000000000, -0.0033657100000000 ] - [ 0.0044465300000000, 0.0049832400000000, -0.0044228700000000 ] - [ 0.0044465300000000, -0.0049832400000000, -0.0044228700000000 ] - [ 0.0003914200000000, 0.0012532300000000, 0.0013835700000000 ] - [ 0.0003914200000000, -0.0012532300000000, 0.0013835700000000 ] - [ 0.0005170500000000, 0.0000000000000000, -0.0005499400000000 ] - [ 0.0010280700000000, 0.0000133900000000, 0.0013478100000000 ] - [ 0.0010280700000000, -0.0000133900000000, 0.0013478100000000 ] - [ 0.0004683400000000, 0.0000000000000000, 0.0006008300000000 ] - [ 0.0004727900000000, -0.0040519200000000, -0.0075349800000000 ] - [ 0.0004727900000000, 0.0040519200000000, -0.0075349800000000 ] - [ -0.0010731300000000, 0.0000000000000000, -0.0014709500000000 ] - [ 0.0002533700000000, 0.0000000000000000, 0.0007052300000000 ] - [ 0.0007986400000000, -0.0001221800000000, 0.0019714100000000 ] - [ 0.0007986400000000, 0.0001221800000000, 0.0019714100000000 ] - [ -0.0045850000000000, 0.0000000000000000, -0.0026041300000000 ] - [ 0.0001495900000000, 0.0001390300000000, 0.0000476300000000 ] - [ 0.0001495900000000, -0.0001390300000000, 0.0000476300000000 ] - [ -0.0030807900000000, -0.0006601500000000, 0.0062494100000000 ] - [ -0.0030807900000000, 0.0006601500000000, 0.0062494100000000 ] - [ -0.0005600800000000, 0.0000000000000000, 0.0009070100000000 ] - [ -0.1837528100000000, 0.0000000000000000, 0.0112515700000000 ] - [ -0.0046193900000000, 0.0026615300000000, -0.0002697000000000 ] - [ -0.0046193900000000, -0.0026615300000000, -0.0002697000000000 ] - [ -0.0003730300000000, 0.0002022300000000, -0.0013596800000000 ] - [ -0.0003730300000000, -0.0002022300000000, -0.0013596800000000 ] - [ -0.0004978900000000, 0.0000000000000000, -0.0010686400000000 ] - [ -0.0009241100000000, 0.0000000000000000, -0.0024870800000000 ] - [ -0.0015832500000000, -0.0002244000000000, 0.0003880300000000 ] - [ -0.0015832500000000, 0.0002244000000000, 0.0003880300000000 ] - [ 0.0004624600000000, -0.0002671100000000, -0.0010348500000000 ] - [ 0.0004624600000000, 0.0002671100000000, -0.0010348500000000 ] - [ 0.0004688000000000, 0.0000000000000000, -0.0015240600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033131900000000, 0.0022432700000000, -0.0049204800000000 ] - [ -0.0037860600000000, 0.0022730900000000, 0.0052351800000000 ] - [ -0.0002052100000000, 0.0004720400000000, 0.0001266700000000 ] - [ -0.0001147600000000, 0.0007548000000000, 0.0002351900000000 ] - [ -0.0003485900000000, -0.0000439600000000, 0.0000687800000000 ] - [ 0.0001112900000000, -0.0000417600000000, 0.0003770800000000 ] - [ 0.0001047500000000, 0.0001017900000000, -0.0002721900000000 ] - [ 0.0001250400000000, 0.0001001900000000, -0.0001822900000000 ] - [ 0.0001124100000000, -0.0001832200000000, -0.0002329400000000 ] - [ 0.0002045900000000, 0.0000318300000000, -0.0001212500000000 ] - [ 0.0002021100000000, -0.0000183200000000, -0.0001042600000000 ] - [ 0.0002061800000000, -0.0000177000000000, -0.0001386900000000 ] - [ 0.0014272800000000, 0.0006505700000000, 0.0054592400000000 ] - [ -0.0012374600000000, 0.0006124700000000, -0.0046326500000000 ] - [ 0.0000976000000000, -0.0003860400000000, 0.0004305000000000 ] - [ 0.0005351200000000, 0.0000620200000000, -0.0000299300000000 ] - [ 0.0004888200000000, 0.0000558500000000, -0.0002100900000000 ] - [ 0.0005101500000000, -0.0000862600000000, -0.0001173900000000 ] - [ 0.0000566300000000, 0.0004167700000000, 0.0009220800000000 ] - [ 0.0001806000000000, -0.0001504900000000, 0.0015677000000000 ] - [ -0.0000684900000000, -0.0001486900000000, 0.0002678600000000 ] - [ 0.0005131800000000, 0.0000856000000000, -0.0004392200000000 ] - [ 0.0005449700000000, -0.0000372600000000, -0.0004349400000000 ] - [ 0.0004811200000000, -0.0000350400000000, -0.0004424000000000 ] - [ 0.0005153300000000, 0.0009110900000000, 0.0000489500000000 ] - [ 0.0001529200000000, -0.0004144600000000, -0.0002315900000000 ] - [ 0.0008615500000000, -0.0004079600000000, 0.0003405100000000 ] - [ -0.0005219800000000, 0.0000474500000000, -0.0002200900000000 ] - [ -0.0004960900000000, 0.0000439000000000, 0.0001093900000000 ] - [ -0.0005082500000000, -0.0000940700000000, -0.0000552500000000 ] - [ -0.0009220100000000, 0.0000095700000000, 0.0006959400000000 ] - [ -0.0001085500000000, 0.0000016800000000, 0.0001819500000000 ] - [ -0.0005122000000000, -0.0000243700000000, 0.0004386500000000 ] - [ -0.0024200900000000, -0.0018581800000000, -0.0009506400000000 ] - [ 0.0023646300000000, -0.0019277300000000, -0.0008866700000000 ] - [ -0.0000451100000000, -0.0006408900000000, -0.0009221500000000 ] - [ -0.0005455300000000, -0.0001411500000000, 0.0000805500000000 ] - [ -0.0003075100000000, 0.0002626500000000, 0.0010637400000000 ] - [ -0.0007038400000000, 0.0002720700000000, -0.0008101700000000 ] - [ -0.0000946900000000, 0.0006386500000000, -0.0004270600000000 ] - [ -0.0000723300000000, -0.0003043000000000, -0.0000481100000000 ] - [ -0.0001116700000000, -0.0002959100000000, -0.0008241000000000 ] - [ -0.0002023000000000, -0.1670450100000000, -0.0001910300000000 ] - [ 0.0004556500000000, 0.0013378000000000, -0.0006188300000000 ] - [ -0.0005720000000000, 0.0013388400000000, 0.0003253300000000 ] - [ -0.0008905800000000, -0.0000061400000000, 0.0002615700000000 ] - [ -0.0000862900000000, -0.0000082500000000, 0.0002632900000000 ] - [ -0.0004916900000000, 0.0000145700000000, 0.0002659200000000 ] - [ 0.0001092700000000, 0.0000802600000000, 0.0003050300000000 ] - [ -0.0010895400000000, 0.0003324600000000, 0.0004424200000000 ] - [ 0.0013178700000000, 0.0003311900000000, 0.0001594400000000 ] - [ -0.0002987200000000, 0.0001422700000000, -0.0004789000000000 ] - [ 0.0000681300000000, 0.0001418400000000, -0.0001194500000000 ] - [ -0.0001156500000000, -0.0000406000000000, -0.0003022300000000 ] - [ 0.0004914400000000, -0.0000233000000000, -0.0002714100000000 ] - [ 0.0004829800000000, 0.0000145000000000, -0.0001951100000000 ] - [ 0.0004987700000000, 0.0000146100000000, -0.0003344100000000 ] - [ 0.0000882200000000, -0.0000156400000000, 0.0000839800000000 ] - [ 0.0000428700000000, -0.0000152500000000, 0.0002069100000000 ] - [ 0.0000657800000000, 0.0000575500000000, 0.0001461400000000 ] - [ -0.0003395800000000, 0.0515046700000000, -0.0000660300000000 ] - [ -0.0010327800000000, -0.0006558800000000, -0.0000558300000000 ] - [ -0.0004748300000000, -0.0006516000000000, -0.0012983700000000 ] - [ 0.0014082500000000, 0.0007436600000000, -0.0007076000000000 ] - [ 0.0011178400000000, 0.0007588600000000, 0.0006745000000000 ] - [ 0.0012634100000000, -0.0001752000000000, -0.0000210700000000 ] - [ 0.0004113600000000, 0.0504722700000000, -0.0000895800000000 ] - [ -0.0001737200000000, -0.0010541400000000, 0.0003440600000000 ] - [ 0.0003671600000000, -0.0010452400000000, 0.0006433800000000 ] - [ -0.0002248600000000, -0.0000979000000000, 0.0002669300000000 ] - [ -0.0002695900000000, -0.0000968200000000, 0.0001136500000000 ] - [ -0.0002463300000000, 0.0003149400000000, 0.0001905500000000 ] - [ 0.0002166000000000, -0.0001029400000000, -0.0000099800000000 ] - [ 0.0002835100000000, 0.0000506500000000, -0.0001008200000000 ] - [ 0.0001485400000000, 0.0000480600000000, 0.0000827500000000 ] - [ -0.0003880800000000, -0.0000771200000000, 0.0005341600000000 ] - [ -0.0006736400000000, -0.0000774600000000, 0.0006571100000000 ] - [ -0.0005291600000000, 0.0000422800000000, 0.0005932700000000 ] - [ -0.0005334700000000, 0.0000626400000000, -0.0013410800000000 ] - [ -0.0005714500000000, 0.0000720100000000, -0.0017748100000000 ] - [ -0.0005489900000000, 0.0000851800000000, -0.0015583300000000 ] - [ -0.0008165100000000, -0.0005273700000000, 0.0006045000000000 ] - [ -0.0002924600000000, 0.0018340800000000, -0.0003861300000000 ] - [ -0.0013428000000000, 0.0018243300000000, 0.0016098100000000 ] - [ 0.0001719800000000, -0.0000290200000000, -0.0005042400000000 ] - [ 0.0006515700000000, -0.0000288300000000, -0.0002722700000000 ] - [ -0.0003082400000000, -0.0000297000000000, -0.0007373200000000 ] - [ -0.0002966700000000, -0.0001116400000000, 0.0004944400000000 ] - [ 0.0000923500000000, -0.0001202800000000, 0.0000302700000000 ] - [ -0.0006885200000000, -0.0001219500000000, 0.0009665200000000 ] - [ 0.0006698500000000, -0.0001886300000000, 0.0005513400000000 ] - [ 0.0003983100000000, -0.0001891200000000, -0.0002816100000000 ] - [ 0.0005327400000000, 0.0002427800000000, 0.0001372400000000 ] - [ 0.0003416000000000, -0.0000629100000000, 0.0003830700000000 ] - [ 0.0002295900000000, 0.0000342300000000, 0.0003255000000000 ] - [ 0.0004563000000000, 0.0000329600000000, 0.0004414600000000 ] - [ -0.0004530100000000, -0.0000648800000000, 0.0000122600000000 ] - [ -0.0005332000000000, 0.0000139900000000, 0.0001229700000000 ] - [ -0.0003712300000000, 0.0000121300000000, -0.0001013900000000 ] - [ 0.0004238400000000, -0.0000285000000000, 0.0000706700000000 ] - [ 0.0004821400000000, -0.0000262300000000, -0.0000921000000000 ] - [ 0.0004519300000000, 0.0000508800000000, -0.0000106200000000 ] - [ -0.0016030300000000, -0.0005619700000000, -0.0014292000000000 ] - [ 0.0009160200000000, -0.0005595300000000, 0.0006631100000000 ] - [ -0.0003448000000000, 0.0002940200000000, -0.0003840500000000 ] - [ -0.0005162800000000, -0.0004341000000000, -0.0001415700000000 ] - [ 0.0009635100000000, 0.0017704800000000, -0.0014587000000000 ] - [ -0.0020252400000000, 0.0017575800000000, 0.0011844700000000 ] - [ 0.0003236000000000, 0.0003232300000000, 0.0000138700000000 ] - [ 0.0002713300000000, 0.0003354100000000, -0.0010143800000000 ] - [ 0.0002992200000000, 0.0000136600000000, -0.0004981100000000 ] - [ -0.0000014600000000, -0.0000499100000000, 0.0006857700000000 ] - [ -0.0003378100000000, -0.0000498300000000, 0.0003231000000000 ] - [ -0.0001706800000000, 0.0000453800000000, 0.0005065800000000 ] - [ 0.0005871000000000, 0.0000463800000000, -0.0001751900000000 ] - [ 0.0010449800000000, 0.0000605800000000, -0.0010596200000000 ] - [ 0.0008137900000000, 0.0003964400000000, -0.0006093700000000 ] - [ 0.0005519300000000, -0.0000418000000000, 0.0015612700000000 ] - [ 0.0005344900000000, 0.0000189700000000, 0.0015164700000000 ] - [ 0.0005668300000000, 0.0000182800000000, 0.0015989000000000 ] - [ 0.0005437700000000, 0.0001222900000000, -0.0005852800000000 ] - [ 0.0004057700000000, 0.0000089400000000, -0.0006763400000000 ] - [ 0.0006513000000000, 0.0000074100000000, -0.0005125700000000 ] - [ 0.0006456300000000, -0.0002429300000000, 0.0001515100000000 ] - [ -0.0010842100000000, -0.0002178900000000, -0.0001386100000000 ] - [ -0.0002176500000000, -0.0002143100000000, 0.0000073900000000 ] - [ -0.0003009300000000, 0.0556681500000000, -0.0001452800000000 ] - [ -0.0015128200000000, -0.0003583100000000, -0.0001655500000000 ] - [ 0.0019802500000000, -0.0003577000000000, -0.0002160300000000 ] - [ -0.0001454100000000, 0.0000105100000000, -0.0004735200000000 ] - [ -0.0000560300000000, 0.0000112200000000, -0.0005138600000000 ] - [ -0.0001008600000000, -0.0000312900000000, -0.0004945300000000 ] - [ -0.0012666100000000, 0.0000169900000000, 0.0000269000000000 ] - [ -0.0012374400000000, 0.0000186400000000, -0.0000674200000000 ] - [ -0.0012900900000000, 0.0000175500000000, 0.0001041300000000 ] - [ 0.0007631300000000, -0.0001273300000000, 0.0007072800000000 ] - [ 0.0007354800000000, -0.0001248000000000, 0.0006469200000000 ] - [ 0.0007502200000000, 0.0003310900000000, 0.0006762200000000 ]- atom: 43 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0062914700000000, -0.0116073000000000, 0.0017344600000000 ] - [ -0.0062914700000000, 0.0116073000000000, 0.0017344600000000 ] - [ -0.0004267600000000, 0.0000000000000000, -0.0004088700000000 ] - [ 0.0046044300000000, 0.0000000000000000, 0.0021223200000000 ] - [ 0.0003926000000000, -0.0007442300000000, -0.0003047600000000 ] - [ 0.0003926000000000, 0.0007442300000000, -0.0003047600000000 ] - [ 0.0004028900000000, 0.0000824300000000, 0.0000874300000000 ] - [ 0.0004028900000000, -0.0000824300000000, 0.0000874300000000 ] - [ 0.0000529700000000, 0.0000000000000000, -0.0000428700000000 ] - [ 0.0001977700000000, 0.0000000000000000, 0.0010045700000000 ] - [ 0.0001740700000000, 0.0001312200000000, 0.0004341200000000 ] - [ 0.0001740700000000, -0.0001312200000000, 0.0004341200000000 ] - [ -0.0050959400000000, 0.0182238700000000, 0.0180078700000000 ] - [ -0.0050959400000000, -0.0182238700000000, 0.0180078700000000 ] - [ 0.0013344300000000, 0.0000000000000000, -0.0011889900000000 ] - [ -0.0004436600000000, -0.0013607200000000, 0.0039508100000000 ] - [ -0.0004436600000000, 0.0013607200000000, 0.0039508100000000 ] - [ 0.0006142600000000, 0.0000000000000000, 0.0016822000000000 ] - [ -0.0004670100000000, 0.0000000000000000, 0.0069633600000000 ] - [ 0.0002168400000000, -0.0004552200000000, 0.0058117100000000 ] - [ 0.0002168400000000, 0.0004552200000000, 0.0058117100000000 ] - [ -0.0003357900000000, 0.0000000000000000, 0.0019647700000000 ] - [ -0.0000245700000000, 0.0007841500000000, 0.0012727300000000 ] - [ -0.0000245700000000, -0.0007841500000000, 0.0012727300000000 ] - [ -0.0047683500000000, 0.0000000000000000, -0.0041660900000000 ] - [ -0.0008063100000000, 0.0013169300000000, -0.0030721200000000 ] - [ -0.0008063100000000, -0.0013169300000000, -0.0030721200000000 ] - [ 0.0001098700000000, -0.0004497500000000, 0.0036536700000000 ] - [ 0.0001098700000000, 0.0004497500000000, 0.0036536700000000 ] - [ -0.0003364300000000, 0.0000000000000000, 0.0022573300000000 ] - [ 0.0027432800000000, -0.0016240500000000, 0.0003130300000000 ] - [ 0.0027432800000000, 0.0016240500000000, 0.0003130300000000 ] - [ 0.0000419300000000, 0.0000000000000000, 0.0004902900000000 ] - [ -0.0049920200000000, 0.0068987700000000, -0.0059675700000000 ] - [ -0.0049920200000000, -0.0068987700000000, -0.0059675700000000 ] - [ 0.0001874600000000, 0.0000000000000000, -0.0049376900000000 ] - [ 0.0268272800000000, 0.0000000000000000, 0.0375167300000000 ] - [ 0.0004866900000000, 0.0045940600000000, 0.0011089500000000 ] - [ 0.0004866900000000, -0.0045940600000000, 0.0011089500000000 ] - [ -0.0032418600000000, 0.0000000000000000, 0.0007020600000000 ] - [ -0.0019159500000000, -0.0008692200000000, -0.0001987600000000 ] - [ -0.0019159500000000, 0.0008692200000000, -0.0001987600000000 ] - [ 0.0963987900000000, 0.0000000000000000, -0.4570775000000000 ] - [ 0.0006443600000000, 0.0005721900000000, -0.0069100400000000 ] - [ 0.0006443600000000, -0.0005721900000000, -0.0069100400000000 ] - [ -0.0045594200000000, -0.0002882600000000, 0.0028730800000000 ] - [ -0.0045594200000000, 0.0002882600000000, 0.0028730800000000 ] - [ -0.0014305000000000, 0.0000000000000000, 0.0003223500000000 ] - [ -0.0007976800000000, 0.0000000000000000, -0.0007986600000000 ] - [ -0.0015310600000000, 0.0003591800000000, -0.0007245300000000 ] - [ -0.0015310600000000, -0.0003591800000000, -0.0007245300000000 ] - [ 0.0014732500000000, -0.0000940300000000, 0.0030237700000000 ] - [ 0.0014732500000000, 0.0000940300000000, 0.0030237700000000 ] - [ 0.0008279800000000, 0.0000000000000000, 0.0005608900000000 ] - [ 0.0012943300000000, 0.0000000000000000, 0.0042568300000000 ] - [ 0.0007372600000000, 0.0001013700000000, 0.0012975500000000 ] - [ 0.0007372600000000, -0.0001013700000000, 0.0012975500000000 ] - [ -0.0010450700000000, -0.0000647800000000, 0.0025411200000000 ] - [ -0.0010450700000000, 0.0000647800000000, 0.0025411200000000 ] - [ -0.0008959900000000, 0.0000000000000000, 0.0019407900000000 ] - [ 0.0728783100000000, 0.0000000000000000, 0.1502960400000000 ] - [ -0.0002140700000000, 0.0013526900000000, 0.0030117500000000 ] - [ -0.0002140700000000, -0.0013526900000000, 0.0030117500000000 ] - [ 0.0035689600000000, 0.0038211900000000, -0.0047119900000000 ] - [ 0.0035689600000000, -0.0038211900000000, -0.0047119900000000 ] - [ 0.0021906500000000, 0.0000000000000000, -0.0004030000000000 ] - [ -0.1050463800000000, 0.0000000000000000, 0.2103651800000000 ] - [ -0.0010846600000000, -0.0031293000000000, 0.0038152400000000 ] - [ -0.0010846600000000, 0.0031293000000000, 0.0038152400000000 ] - [ 0.0007289900000000, -0.0002492300000000, -0.0009174100000000 ] - [ 0.0007289900000000, 0.0002492300000000, -0.0009174100000000 ] - [ 0.0006962500000000, 0.0000000000000000, -0.0011268000000000 ] - [ 0.0012981000000000, 0.0000000000000000, -0.0020164700000000 ] - [ 0.0009798900000000, -0.0008039300000000, -0.0017609200000000 ] - [ 0.0009798900000000, 0.0008039300000000, -0.0017609200000000 ] - [ 0.0013156900000000, -0.0002057600000000, -0.0020474500000000 ] - [ 0.0013156900000000, 0.0002057600000000, -0.0020474500000000 ] - [ -0.0003906800000000, 0.0000000000000000, 0.0001112600000000 ] - [ 0.0037329700000000, 0.0020970600000000, -0.0019161900000000 ] - [ 0.0037329700000000, -0.0020970600000000, -0.0019161900000000 ] - [ 0.0000736200000000, 0.0000000000000000, -0.0011050600000000 ] - [ 0.0005823200000000, 0.0000000000000000, -0.0037756400000000 ] - [ 0.0017013400000000, 0.0060133100000000, -0.0035325400000000 ] - [ 0.0017013400000000, -0.0060133100000000, -0.0035325400000000 ] - [ -0.0009761000000000, 0.0000000000000000, 0.0025751900000000 ] - [ 0.0006544900000000, 0.0001241000000000, 0.0016014500000000 ] - [ 0.0006544900000000, -0.0001241000000000, 0.0016014500000000 ] - [ 0.0002442900000000, 0.0000000000000000, 0.0011159200000000 ] - [ 0.0003847200000000, -0.0000321200000000, 0.0009509500000000 ] - [ 0.0003847200000000, 0.0000321200000000, 0.0009509500000000 ] - [ 0.0000905100000000, 0.0001240800000000, -0.0032878800000000 ] - [ 0.0000905100000000, -0.0001240800000000, -0.0032878800000000 ] - [ -0.0001098700000000, 0.0000000000000000, -0.0006777100000000 ] - [ -0.0003497800000000, 0.0000000000000000, -0.0016341100000000 ] - [ -0.0003060300000000, -0.0000903400000000, -0.0011528100000000 ] - [ -0.0003060300000000, 0.0000903400000000, -0.0011528100000000 ] - [ -0.0013082000000000, 0.0000000000000000, 0.0003172500000000 ] - [ -0.0012163000000000, -0.0008554100000000, 0.0001124200000000 ] - [ -0.0012163000000000, 0.0008554100000000, 0.0001124200000000 ] - [ 0.0004719900000000, 0.0005134800000000, -0.0019952200000000 ] - [ 0.0004719900000000, -0.0005134800000000, -0.0019952200000000 ] - [ 0.0009802100000000, 0.0000000000000000, -0.0009735800000000 ] - [ 0.0017192000000000, 0.0011528900000000, 0.0018227800000000 ] - [ 0.0017192000000000, -0.0011528900000000, 0.0018227800000000 ] - [ 0.0008224700000000, 0.0000000000000000, 0.0005713300000000 ] - [ -0.0004457900000000, 0.0000000000000000, 0.0007062300000000 ] - [ 0.0011413500000000, 0.0017502300000000, -0.0003901700000000 ] - [ 0.0011413500000000, -0.0017502300000000, -0.0003901700000000 ] - [ -0.0012828900000000, -0.0014617300000000, -0.0038451600000000 ] - [ -0.0012828900000000, 0.0014617300000000, -0.0038451600000000 ] - [ -0.0001176300000000, 0.0000000000000000, -0.0010826100000000 ] - [ -0.0016283800000000, -0.0000050500000000, -0.0024440200000000 ] - [ -0.0016283800000000, 0.0000050500000000, -0.0024440200000000 ] - [ -0.0007286500000000, 0.0000000000000000, -0.0008922800000000 ] - [ 0.0031554900000000, -0.0002352600000000, 0.0005658500000000 ] - [ 0.0031554900000000, 0.0002352600000000, 0.0005658500000000 ] - [ 0.0012515300000000, 0.0000000000000000, 0.0011020300000000 ] - [ -0.0012056300000000, 0.0000000000000000, -0.0016854600000000 ] - [ -0.0001382700000000, 0.0000020800000000, 0.0003113800000000 ] - [ -0.0001382700000000, -0.0000020800000000, 0.0003113800000000 ] - [ -0.0058336900000000, 0.0000000000000000, -0.0050359200000000 ] - [ 0.0005075700000000, -0.0003381900000000, -0.0015970200000000 ] - [ 0.0005075700000000, 0.0003381900000000, -0.0015970200000000 ] - [ -0.0062571500000000, 0.0042320200000000, 0.0020260800000000 ] - [ -0.0062571500000000, -0.0042320200000000, 0.0020260800000000 ] - [ -0.0016390700000000, 0.0000000000000000, 0.0017604200000000 ] - [ -0.0576302400000000, 0.0000000000000000, 0.0458041300000000 ] - [ -0.0011529700000000, 0.0007488900000000, 0.0015818700000000 ] - [ -0.0011529700000000, -0.0007488900000000, 0.0015818700000000 ] - [ 0.0001185800000000, 0.0003207300000000, -0.0030604500000000 ] - [ 0.0001185800000000, -0.0003207300000000, -0.0030604500000000 ] - [ 0.0002530800000000, 0.0000000000000000, -0.0023026500000000 ] - [ -0.0003558000000000, 0.0000000000000000, -0.0055063500000000 ] - [ -0.0012635000000000, -0.0003172400000000, -0.0008710200000000 ] - [ -0.0012635000000000, 0.0003172400000000, -0.0008710200000000 ] - [ 0.0007462400000000, -0.0002126900000000, -0.0008013300000000 ] - [ 0.0007462400000000, 0.0002126900000000, -0.0008013300000000 ] - [ 0.0008865400000000, 0.0000000000000000, -0.0004726100000000 ]- atom: 43 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0058446100000000, 0.0114980100000000, -0.0014740600000000 ] - [ 0.0058446100000000, -0.0114980100000000, -0.0014740600000000 ] - [ 0.0000191700000000, 0.0000000000000000, 0.0006519600000000 ] - [ -0.0048520600000000, 0.0000000000000000, -0.0016904700000000 ] - [ -0.0006211800000000, 0.0007447700000000, 0.0007715800000000 ] - [ -0.0006211800000000, -0.0007447700000000, 0.0007715800000000 ] - [ -0.0001763800000000, -0.0000828700000000, -0.0005501300000000 ] - [ -0.0001763800000000, 0.0000828700000000, -0.0005501300000000 ] - [ 0.0001754000000000, 0.0000000000000000, -0.0004215100000000 ] - [ 0.0002098100000000, 0.0000000000000000, -0.0012421300000000 ] - [ 0.0002331400000000, -0.0001306500000000, -0.0006776700000000 ] - [ 0.0002331400000000, 0.0001306500000000, -0.0006776700000000 ] - [ 0.0052633100000000, -0.0183702000000000, -0.0172202600000000 ] - [ 0.0052633100000000, 0.0183702000000000, -0.0172202600000000 ] - [ -0.0011458800000000, 0.0000000000000000, 0.0020784800000000 ] - [ 0.0014591400000000, 0.0013517000000000, -0.0041799000000000 ] - [ 0.0014591400000000, -0.0013517000000000, -0.0041799000000000 ] - [ 0.0004075000000000, 0.0000000000000000, -0.0019177700000000 ] - [ 0.0005777200000000, 0.0000000000000000, -0.0051233700000000 ] - [ -0.0001062700000000, 0.0004563900000000, -0.0039656100000000 ] - [ -0.0001062700000000, -0.0004563900000000, -0.0039656100000000 ] - [ 0.0013598100000000, 0.0000000000000000, -0.0028397000000000 ] - [ 0.0010481000000000, -0.0007806700000000, -0.0021492800000000 ] - [ 0.0010481000000000, 0.0007806700000000, -0.0021492800000000 ] - [ 0.0057572900000000, 0.0000000000000000, 0.0042614800000000 ] - [ 0.0018108800000000, -0.0013142500000000, 0.0031641900000000 ] - [ 0.0018108800000000, 0.0013142500000000, 0.0031641900000000 ] - [ -0.0011236900000000, 0.0004454000000000, -0.0037562800000000 ] - [ -0.0011236900000000, -0.0004454000000000, -0.0037562800000000 ] - [ -0.0006798300000000, 0.0000000000000000, -0.0023612300000000 ] - [ -0.0037544200000000, 0.0016144100000000, 0.0005490100000000 ] - [ -0.0037544200000000, -0.0016144100000000, 0.0005490100000000 ] - [ -0.0010673600000000, 0.0000000000000000, 0.0003769900000000 ] - [ 0.0048344500000000, -0.0068369900000000, 0.0041398900000000 ] - [ 0.0048344500000000, 0.0068369900000000, 0.0041398900000000 ] - [ -0.0002981800000000, 0.0000000000000000, 0.0030818700000000 ] - [ -0.0277087900000000, 0.0000000000000000, -0.0368933300000000 ] - [ -0.0015031900000000, -0.0045770700000000, -0.0008754700000000 ] - [ -0.0015031900000000, 0.0045770700000000, -0.0008754700000000 ] - [ 0.0030792600000000, 0.0000000000000000, -0.0015687900000000 ] - [ 0.0017393100000000, 0.0008734500000000, -0.0006568200000000 ] - [ 0.0017393100000000, -0.0008734500000000, -0.0006568200000000 ] - [ -0.0827300100000000, 0.0000000000000000, 0.4456756900000000 ] - [ -0.0007447200000000, -0.0005872400000000, 0.0066023200000000 ] - [ -0.0007447200000000, 0.0005872400000000, 0.0066023200000000 ] - [ 0.0035707500000000, 0.0002902200000000, -0.0023344600000000 ] - [ 0.0035707500000000, -0.0002902200000000, -0.0023344600000000 ] - [ 0.0004450100000000, 0.0000000000000000, 0.0002018800000000 ] - [ 0.0009946200000000, 0.0000000000000000, 0.0014033100000000 ] - [ 0.0017348200000000, -0.0003525500000000, 0.0013314500000000 ] - [ 0.0017348200000000, 0.0003525500000000, 0.0013314500000000 ] - [ -0.0017022000000000, 0.0000926000000000, -0.0036203600000000 ] - [ -0.0017022000000000, -0.0000926000000000, -0.0036203600000000 ] - [ -0.0010558900000000, 0.0000000000000000, -0.0011572000000000 ] - [ -0.0003076300000000, 0.0000000000000000, -0.0047738300000000 ] - [ 0.0002466700000000, -0.0001011100000000, -0.0018277700000000 ] - [ 0.0002466700000000, 0.0001011100000000, -0.0018277700000000 ] - [ 0.0011744600000000, 0.0000652100000000, -0.0022410600000000 ] - [ 0.0011744600000000, -0.0000652100000000, -0.0022410600000000 ] - [ 0.0010274200000000, 0.0000000000000000, -0.0016426000000000 ] - [ -0.0799648400000000, 0.0000000000000000, -0.1573252500000000 ] - [ -0.0012938100000000, -0.0013484000000000, -0.0043767500000000 ] - [ -0.0012938100000000, 0.0013484000000000, -0.0043767500000000 ] - [ -0.0010354700000000, -0.0038273200000000, 0.0046688900000000 ] - [ -0.0010354700000000, 0.0038273200000000, 0.0046688900000000 ] - [ 0.0003409200000000, 0.0000000000000000, 0.0003671100000000 ] - [ 0.0968024600000000, 0.0000000000000000, -0.1933102400000000 ] - [ 0.0012723000000000, 0.0031198000000000, -0.0028112300000000 ] - [ 0.0012723000000000, -0.0031198000000000, -0.0028112300000000 ] - [ -0.0012210800000000, 0.0002506200000000, 0.0012950800000000 ] - [ -0.0012210800000000, -0.0002506200000000, 0.0012950800000000 ] - [ -0.0011888000000000, 0.0000000000000000, 0.0015052000000000 ] - [ -0.0008640600000000, 0.0000000000000000, 0.0019955600000000 ] - [ -0.0005445400000000, 0.0008004200000000, 0.0017385200000000 ] - [ -0.0005445400000000, -0.0008004200000000, 0.0017385200000000 ] - [ -0.0023707200000000, 0.0002066700000000, 0.0032285000000000 ] - [ -0.0023707200000000, -0.0002066700000000, 0.0032285000000000 ] - [ -0.0006692900000000, 0.0000000000000000, 0.0010790000000000 ] - [ -0.0048107100000000, -0.0020928100000000, -0.0012057600000000 ] - [ -0.0048107100000000, 0.0020928100000000, -0.0012057600000000 ] - [ -0.0011700500000000, 0.0000000000000000, -0.0020044700000000 ] - [ -0.0022161000000000, 0.0000000000000000, 0.0050048200000000 ] - [ -0.0033429200000000, -0.0060266100000000, 0.0047561800000000 ] - [ -0.0033429200000000, 0.0060266100000000, 0.0047561800000000 ] - [ 0.0013350100000000, 0.0000000000000000, -0.0035753800000000 ] - [ -0.0003044900000000, -0.0001252700000000, -0.0026031700000000 ] - [ -0.0003044900000000, 0.0001252700000000, -0.0026031700000000 ] - [ -0.0008344200000000, 0.0000000000000000, -0.0001311900000000 ] - [ -0.0009752300000000, 0.0000290300000000, 0.0000343300000000 ] - [ -0.0009752300000000, -0.0000290300000000, 0.0000343300000000 ] - [ 0.0009748200000000, -0.0001220600000000, 0.0035548900000000 ] - [ 0.0009748200000000, 0.0001220600000000, 0.0035548900000000 ] - [ 0.0011747000000000, 0.0000000000000000, 0.0009414000000000 ] - [ 0.0010347100000000, 0.0000000000000000, 0.0023985300000000 ] - [ 0.0009889000000000, 0.0000885600000000, 0.0019171800000000 ] - [ 0.0009889000000000, -0.0000885600000000, 0.0019171800000000 ] - [ 0.0004016500000000, 0.0000000000000000, -0.0002898200000000 ] - [ 0.0003082800000000, 0.0008517200000000, -0.0000857300000000 ] - [ 0.0003082800000000, -0.0008517200000000, -0.0000857300000000 ] - [ 0.0004328700000000, -0.0005114600000000, 0.0019734900000000 ] - [ 0.0004328700000000, 0.0005114600000000, 0.0019734900000000 ] - [ -0.0000723500000000, 0.0000000000000000, 0.0009544300000000 ] - [ -0.0023803500000000, -0.0011431800000000, -0.0025661500000000 ] - [ -0.0023803500000000, 0.0011431800000000, -0.0025661500000000 ] - [ -0.0015007100000000, 0.0000000000000000, -0.0013283300000000 ] - [ -0.0005658200000000, 0.0000000000000000, -0.0010038100000000 ] - [ -0.0021761500000000, -0.0017218200000000, 0.0000928100000000 ] - [ -0.0021761500000000, 0.0017218200000000, 0.0000928100000000 ] - [ 0.0018783000000000, 0.0014495900000000, 0.0028391200000000 ] - [ 0.0018783000000000, -0.0014495900000000, 0.0028391200000000 ] - [ 0.0007129200000000, 0.0000000000000000, 0.0000799400000000 ] - [ 0.0012860100000000, 0.0000059500000000, 0.0034486000000000 ] - [ 0.0012860100000000, -0.0000059500000000, 0.0034486000000000 ] - [ 0.0003854100000000, 0.0000000000000000, 0.0018971700000000 ] - [ -0.0015356300000000, 0.0002467600000000, -0.0018008300000000 ] - [ -0.0015356300000000, -0.0002467600000000, -0.0018008300000000 ] - [ 0.0003776300000000, 0.0000000000000000, -0.0023305300000000 ] - [ 0.0022987500000000, 0.0000000000000000, 0.0047889300000000 ] - [ 0.0012390000000000, -0.0000027000000000, 0.0028042000000000 ] - [ 0.0012390000000000, 0.0000027000000000, 0.0028042000000000 ] - [ 0.0068649700000000, 0.0000000000000000, 0.0038366400000000 ] - [ 0.0005504100000000, 0.0003371200000000, 0.0004104000000000 ] - [ 0.0005504100000000, -0.0003371200000000, 0.0004104000000000 ] - [ 0.0057997900000000, -0.0042199200000000, -0.0019958200000000 ] - [ 0.0057997900000000, 0.0042199200000000, -0.0019958200000000 ] - [ 0.0011999100000000, 0.0000000000000000, -0.0017290300000000 ] - [ 0.0584073600000000, 0.0000000000000000, -0.0455911900000000 ] - [ 0.0016189300000000, -0.0007299400000000, -0.0019587500000000 ] - [ 0.0016189300000000, 0.0007299400000000, -0.0019587500000000 ] - [ -0.0003176300000000, -0.0003191500000000, 0.0020649500000000 ] - [ -0.0003176300000000, 0.0003191500000000, 0.0020649500000000 ] - [ -0.0004530200000000, 0.0000000000000000, 0.0013099700000000 ] - [ -0.0021697300000000, 0.0000000000000000, 0.0055200300000000 ] - [ -0.0012661900000000, 0.0003164800000000, 0.0009087700000000 ] - [ -0.0012661900000000, -0.0003164800000000, 0.0009087700000000 ] - [ 0.0007540700000000, 0.0002136200000000, 0.0021489200000000 ] - [ 0.0007540700000000, -0.0002136200000000, 0.0021489200000000 ] - [ 0.0006127600000000, 0.0000000000000000, 0.0018208000000000 ]- atom: 46 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0056372500000000, 0.0000000000000000, -0.0153024200000000 ] - [ -0.0013301100000000, 0.0004808400000000, -0.0001668400000000 ] - [ -0.0013301100000000, -0.0004808400000000, -0.0001668400000000 ] - [ -0.0007325100000000, -0.0001933100000000, 0.0005649000000000 ] - [ -0.0003568500000000, 0.0000000000000000, 0.0002389700000000 ] - [ -0.0007325100000000, 0.0001933100000000, 0.0005649000000000 ] - [ 0.0002134200000000, 0.0000000000000000, -0.0001037600000000 ] - [ 0.0001804500000000, -0.0000717000000000, -0.0001692300000000 ] - [ 0.0001804500000000, 0.0000717000000000, -0.0001692300000000 ] - [ 0.0002098900000000, 0.0000379900000000, 0.0003028100000000 ] - [ 0.0003195100000000, 0.0000000000000000, 0.0000147400000000 ] - [ 0.0002098900000000, -0.0000379900000000, 0.0003028100000000 ] - [ -0.0001984400000000, 0.0000000000000000, -0.0005080900000000 ] - [ -0.0001507900000000, 0.0000874400000000, -0.0003147700000000 ] - [ -0.0001507900000000, -0.0000874400000000, -0.0003147700000000 ] - [ -0.0146491000000000, 0.0000000000000000, 0.0145689900000000 ] - [ -0.0011013300000000, 0.0006404300000000, 0.0011997000000000 ] - [ -0.0011013300000000, -0.0006404300000000, 0.0011997000000000 ] - [ -0.0006729200000000, -0.0001410700000000, 0.0001490400000000 ] - [ -0.0003684500000000, 0.0000000000000000, 0.0007442500000000 ] - [ -0.0006729200000000, 0.0001410700000000, 0.0001490400000000 ] - [ 0.0093659800000000, -0.0099539800000000, -0.0091622800000000 ] - [ -0.0009288100000000, 0.0000000000000000, -0.0010140800000000 ] - [ 0.0093659800000000, 0.0099539800000000, -0.0091622800000000 ] - [ 0.0110763000000000, -0.0122779500000000, 0.0080683900000000 ] - [ -0.0007549100000000, 0.0000000000000000, 0.0001437800000000 ] - [ 0.0110763000000000, 0.0122779500000000, 0.0080683900000000 ] - [ 0.0012644800000000, 0.0000000000000000, -0.0003815300000000 ] - [ 0.0005242300000000, -0.0002045700000000, -0.0006449400000000 ] - [ 0.0005242300000000, 0.0002045700000000, -0.0006449400000000 ] - [ 0.0092282400000000, 0.0000000000000000, 0.0004782200000000 ] - [ 0.0046140400000000, -0.0011638100000000, 0.0010624400000000 ] - [ 0.0046140400000000, 0.0011638100000000, 0.0010624400000000 ] - [ 0.0037185800000000, 0.0000000000000000, -0.0027196600000000 ] - [ 0.0029086600000000, -0.0001440500000000, -0.0026300800000000 ] - [ 0.0029086600000000, 0.0001440500000000, -0.0026300800000000 ] - [ 0.0210056400000000, 0.0210053200000000, -0.0051423400000000 ] - [ -0.0022628600000000, 0.0000000000000000, 0.0022351400000000 ] - [ 0.0210056400000000, -0.0210053200000000, -0.0051423400000000 ] - [ 0.0006766000000000, -0.0000485400000000, -0.0005443400000000 ] - [ 0.0003690300000000, 0.0000000000000000, -0.0006049600000000 ] - [ 0.0006766000000000, 0.0000485400000000, -0.0005443400000000 ] - [ 0.0013159000000000, -0.0004048700000000, -0.0039818000000000 ] - [ -0.0003186900000000, 0.0000000000000000, -0.0011729300000000 ] - [ 0.0013159000000000, 0.0004048700000000, -0.0039818000000000 ] - [ -0.4256425700000000, 0.0000000000000000, -0.0059057900000000 ] - [ -0.0058629300000000, -0.0000092000000000, -0.0003360000000000 ] - [ -0.0058629300000000, 0.0000092000000000, -0.0003360000000000 ] - [ 0.0029274300000000, -0.0000235600000000, 0.0015272200000000 ] - [ 0.0010261000000000, 0.0000000000000000, 0.0005958100000000 ] - [ 0.0029274300000000, 0.0000235600000000, 0.0015272200000000 ] - [ -0.0004052300000000, 0.0000000000000000, -0.0004998100000000 ] - [ -0.0003566300000000, -0.0000155400000000, -0.0005156000000000 ] - [ -0.0003566300000000, 0.0000155400000000, -0.0005156000000000 ] - [ 0.0018528600000000, 0.0003895400000000, 0.0012329400000000 ] - [ 0.0014972700000000, 0.0000000000000000, 0.0000654200000000 ] - [ 0.0018528600000000, -0.0003895400000000, 0.0012329400000000 ] - [ -0.0003132100000000, 0.0000000000000000, 0.0009558900000000 ] - [ -0.0001665000000000, -0.0000068700000000, 0.0003640800000000 ] - [ -0.0001665000000000, 0.0000068700000000, 0.0003640800000000 ] - [ -0.0000665400000000, 0.0003186200000000, 0.0013696600000000 ] - [ -0.0004026500000000, 0.0000000000000000, 0.0000083100000000 ] - [ -0.0000665400000000, -0.0003186200000000, 0.0013696600000000 ] - [ 0.2179702100000000, 0.0000000000000000, -0.0002095100000000 ] - [ 0.0049082700000000, -0.0019887800000000, -0.0003924200000000 ] - [ 0.0049082700000000, 0.0019887800000000, -0.0003924200000000 ] - [ 0.0002953000000000, -0.0020562200000000, 0.0057251700000000 ] - [ 0.0003878300000000, 0.0000000000000000, 0.0011751900000000 ] - [ 0.0002953000000000, 0.0020562200000000, 0.0057251700000000 ] - [ 0.0001120100000000, 0.0000000000000000, 0.0001358700000000 ] - [ -0.0000642000000000, 0.0001294600000000, 0.0001773400000000 ] - [ -0.0000642000000000, -0.0001294600000000, 0.0001773400000000 ] - [ 0.0039161700000000, -0.0015525200000000, 0.0015493300000000 ] - [ 0.0010954700000000, 0.0000000000000000, 0.0000513800000000 ] - [ 0.0039161700000000, 0.0015525200000000, 0.0015493300000000 ] - [ 0.0887825000000000, 0.0000000000000000, -0.0695688400000000 ] - [ 0.0014844100000000, 0.0009800300000000, -0.0000265200000000 ] - [ 0.0014844100000000, -0.0009800300000000, -0.0000265200000000 ] - [ 0.0796011700000000, 0.0000000000000000, 0.0749425200000000 ] - [ 0.0015511000000000, 0.0010054400000000, -0.0003175000000000 ] - [ 0.0015511000000000, -0.0010054400000000, -0.0003175000000000 ] - [ -0.0010669200000000, -0.0000666700000000, 0.0010599000000000 ] - [ -0.0009394500000000, 0.0000000000000000, 0.0009523400000000 ] - [ -0.0010669200000000, 0.0000666700000000, 0.0010599000000000 ] - [ -0.0006436900000000, 0.0000270000000000, -0.0034657800000000 ] - [ -0.0001548900000000, 0.0000000000000000, -0.0010417500000000 ] - [ -0.0006436900000000, -0.0000270000000000, -0.0034657800000000 ] - [ -0.0011722500000000, 0.0000404900000000, -0.0002523000000000 ] - [ -0.0006032000000000, 0.0000000000000000, 0.0003764200000000 ] - [ -0.0011722500000000, -0.0000404900000000, -0.0002523000000000 ] - [ 0.0009154300000000, 0.0000000000000000, 0.0004108200000000 ] - [ 0.0007856400000000, 0.0001037300000000, 0.0003550600000000 ] - [ 0.0007856400000000, -0.0001037300000000, 0.0003550600000000 ] - [ -0.0007747300000000, -0.0002427300000000, 0.0026947200000000 ] - [ 0.0003755000000000, 0.0000000000000000, 0.0008887800000000 ] - [ -0.0007747300000000, 0.0002427300000000, 0.0026947200000000 ] - [ -0.0052496300000000, 0.0020987800000000, 0.0011711500000000 ] - [ -0.0005316600000000, 0.0000000000000000, 0.0004493100000000 ] - [ -0.0052496300000000, -0.0020987800000000, 0.0011711500000000 ] - [ -0.0011969400000000, 0.0000000000000000, -0.0001990100000000 ] - [ -0.0019163800000000, 0.0028723900000000, -0.0006276200000000 ] - [ -0.0019163800000000, -0.0028723900000000, -0.0006276200000000 ] - [ -0.0037097800000000, 0.0000000000000000, -0.0007118900000000 ] - [ -0.0039127500000000, 0.0041313300000000, -0.0001600000000000 ] - [ -0.0039127500000000, -0.0041313300000000, -0.0001600000000000 ] - [ -0.0024517700000000, 0.0000439700000000, 0.0001279700000000 ] - [ -0.0015648200000000, 0.0000000000000000, -0.0001118000000000 ] - [ -0.0024517700000000, -0.0000439700000000, 0.0001279700000000 ] - [ 0.0007467400000000, 0.0000000000000000, -0.0004197200000000 ] - [ 0.0006138000000000, 0.0000495400000000, -0.0003312000000000 ] - [ 0.0006138000000000, -0.0000495400000000, -0.0003312000000000 ] - [ -0.0000077400000000, 0.0000000000000000, 0.0008728300000000 ] - [ -0.0000198100000000, 0.0000548700000000, 0.0008130100000000 ] - [ -0.0000198100000000, -0.0000548700000000, 0.0008130100000000 ] - [ 0.0009377800000000, 0.0000000000000000, -0.0001293200000000 ] - [ 0.0009258400000000, 0.0000383900000000, -0.0000297500000000 ] - [ 0.0009258400000000, -0.0000383900000000, -0.0000297500000000 ] - [ -0.0009071300000000, 0.0000639200000000, -0.0001782100000000 ] - [ -0.0001857200000000, 0.0000000000000000, 0.0009718500000000 ] - [ -0.0009071300000000, -0.0000639200000000, -0.0001782100000000 ] - [ -0.0030621300000000, 0.0005094000000000, -0.0025811500000000 ] - [ -0.0010909600000000, 0.0000000000000000, -0.0007313100000000 ] - [ -0.0030621300000000, -0.0005094000000000, -0.0025811500000000 ] - [ -0.0068231000000000, 0.0000000000000000, 0.0021218200000000 ] - [ -0.0059645900000000, -0.0083756800000000, 0.0031926500000000 ] - [ -0.0059645900000000, 0.0083756800000000, 0.0031926500000000 ] - [ -0.0012257400000000, 0.0000343300000000, 0.0007841500000000 ] - [ -0.0000094600000000, 0.0000000000000000, 0.0007608900000000 ] - [ -0.0012257400000000, -0.0000343300000000, 0.0007841500000000 ] - [ -0.0011526700000000, 0.0000000000000000, -0.0001993600000000 ] - [ 0.0000179600000000, -0.0000685100000000, -0.0008281500000000 ] - [ 0.0000179600000000, 0.0000685100000000, -0.0008281500000000 ] - [ -0.0016430600000000, 0.0001638800000000, -0.0024878900000000 ] - [ -0.0017835200000000, 0.0000000000000000, -0.0007531100000000 ] - [ -0.0016430600000000, -0.0001638800000000, -0.0024878900000000 ] - [ 0.0007539000000000, 0.0000000000000000, 0.0005114800000000 ] - [ 0.0006974700000000, 0.0000480500000000, 0.0006038800000000 ] - [ 0.0006974700000000, -0.0000480500000000, 0.0006038800000000 ]- atom: 46 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0051327900000000, 0.0000000000000000, 0.0154340200000000 ] - [ 0.0009163600000000, -0.0004750800000000, 0.0004133800000000 ] - [ 0.0009163600000000, 0.0004750800000000, 0.0004133800000000 ] - [ 0.0005028900000000, 0.0001927100000000, -0.0000989700000000 ] - [ 0.0001278800000000, 0.0000000000000000, 0.0002250400000000 ] - [ 0.0005028900000000, -0.0001927100000000, -0.0000989700000000 ] - [ 0.0000130500000000, 0.0000000000000000, -0.0003601800000000 ] - [ 0.0000466000000000, 0.0000720800000000, -0.0002972800000000 ] - [ 0.0000466000000000, -0.0000720800000000, -0.0002972800000000 ] - [ 0.0001998200000000, -0.0000314500000000, -0.0005449800000000 ] - [ 0.0000895400000000, 0.0000000000000000, -0.0002571700000000 ] - [ 0.0001998200000000, 0.0000314500000000, -0.0005449800000000 ] - [ 0.0003883400000000, 0.0000000000000000, 0.0013755300000000 ] - [ 0.0003404100000000, -0.0000832700000000, 0.0011853200000000 ] - [ 0.0003404100000000, 0.0000832700000000, 0.0011853200000000 ] - [ 0.0155991800000000, 0.0000000000000000, -0.0146233100000000 ] - [ 0.0021102000000000, -0.0006310700000000, -0.0014371100000000 ] - [ 0.0021102000000000, 0.0006310700000000, -0.0014371100000000 ] - [ 0.0007782500000000, 0.0001427800000000, 0.0016944400000000 ] - [ 0.0004773800000000, 0.0000000000000000, 0.0010989900000000 ] - [ 0.0007782500000000, -0.0001427800000000, 0.0016944400000000 ] - [ -0.0082933500000000, 0.0099586800000000, 0.0083451900000000 ] - [ 0.0019487000000000, 0.0000000000000000, 0.0001340600000000 ] - [ -0.0082933500000000, -0.0099586800000000, 0.0083451900000000 ] - [ -0.0100169400000000, 0.0122813100000000, -0.0080390700000000 ] - [ 0.0017611600000000, 0.0000000000000000, -0.0000382500000000 ] - [ -0.0100169400000000, -0.0122813100000000, -0.0080390700000000 ] - [ -0.0022685300000000, 0.0000000000000000, 0.0002775400000000 ] - [ -0.0015332900000000, 0.0002088400000000, 0.0005317000000000 ] - [ -0.0015332900000000, -0.0002088400000000, 0.0005317000000000 ] - [ -0.0102790100000000, 0.0000000000000000, 0.0003937600000000 ] - [ -0.0056355800000000, 0.0011867200000000, -0.0001920000000000 ] - [ -0.0056355800000000, -0.0011867200000000, -0.0001920000000000 ] - [ -0.0038137900000000, 0.0000000000000000, 0.0008715500000000 ] - [ -0.0030027800000000, 0.0001510500000000, 0.0007924700000000 ] - [ -0.0030027800000000, -0.0001510500000000, 0.0007924700000000 ] - [ -0.0218548200000000, -0.0209286800000000, 0.0053903000000000 ] - [ 0.0012436300000000, 0.0000000000000000, -0.0019968600000000 ] - [ -0.0218548200000000, 0.0209286800000000, 0.0053903000000000 ] - [ -0.0008629200000000, 0.0000539100000000, -0.0003226400000000 ] - [ -0.0005540700000000, 0.0000000000000000, -0.0002648800000000 ] - [ -0.0008629200000000, -0.0000539100000000, -0.0003226400000000 ] - [ -0.0014227900000000, 0.0003993700000000, 0.0036523600000000 ] - [ 0.0001955800000000, 0.0000000000000000, 0.0008796800000000 ] - [ -0.0014227900000000, -0.0003993700000000, 0.0036523600000000 ] - [ 0.4073584700000000, 0.0000000000000000, 0.0059148200000000 ] - [ 0.0048599400000000, 0.0000013000000000, 0.0008632600000000 ] - [ 0.0048599400000000, -0.0000013000000000, 0.0008632600000000 ] - [ -0.0026905300000000, 0.0000241900000000, -0.0009151200000000 ] - [ -0.0007951100000000, 0.0000000000000000, 0.0000110800000000 ] - [ -0.0026905300000000, -0.0000241900000000, -0.0009151200000000 ] - [ 0.0001773100000000, 0.0000000000000000, -0.0001026700000000 ] - [ 0.0001269800000000, 0.0000156400000000, -0.0000864600000000 ] - [ 0.0001269800000000, -0.0000156400000000, -0.0000864600000000 ] - [ -0.0008587600000000, -0.0003908300000000, -0.0017548100000000 ] - [ -0.0005123200000000, 0.0000000000000000, -0.0005917900000000 ] - [ -0.0008587600000000, 0.0003908300000000, -0.0017548100000000 ] - [ 0.0004129800000000, 0.0000000000000000, -0.0006330000000000 ] - [ 0.0002933000000000, 0.0000073400000000, -0.0000696400000000 ] - [ 0.0002933000000000, -0.0000073400000000, -0.0000696400000000 ] - [ -0.0014316400000000, -0.0003169800000000, -0.0027091400000000 ] - [ -0.0011002800000000, 0.0000000000000000, -0.0013659700000000 ] - [ -0.0014316400000000, 0.0003169800000000, -0.0027091400000000 ] - [ -0.1970000100000000, 0.0000000000000000, 0.0005918300000000 ] - [ -0.0023688000000000, 0.0019826900000000, 0.0003535200000000 ] - [ -0.0023688000000000, -0.0019826900000000, 0.0003535200000000 ] - [ -0.0001223300000000, 0.0020159900000000, -0.0046971100000000 ] - [ -0.0001890500000000, 0.0000000000000000, -0.0001844900000000 ] - [ -0.0001223300000000, -0.0020159900000000, -0.0046971100000000 ] - [ -0.0005900000000000, 0.0000000000000000, 0.0002409400000000 ] - [ -0.0004267000000000, -0.0001297700000000, 0.0002021300000000 ] - [ -0.0004267000000000, 0.0001297700000000, 0.0002021300000000 ] - [ -0.0034511200000000, 0.0015405300000000, -0.0015601500000000 ] - [ -0.0006563000000000, 0.0000000000000000, -0.0000707100000000 ] - [ -0.0034511200000000, -0.0015405300000000, -0.0015601500000000 ] - [ -0.0906018600000000, 0.0000000000000000, 0.0739399600000000 ] - [ -0.0025354800000000, -0.0009708200000000, 0.0012137000000000 ] - [ -0.0025354800000000, 0.0009708200000000, 0.0012137000000000 ] - [ -0.0813017500000000, 0.0000000000000000, -0.0812018400000000 ] - [ -0.0026423300000000, -0.0009993600000000, -0.0027940100000000 ] - [ -0.0026423300000000, 0.0009993600000000, -0.0027940100000000 ] - [ -0.0005678700000000, 0.0000644100000000, 0.0001620300000000 ] - [ -0.0006967600000000, 0.0000000000000000, 0.0002705700000000 ] - [ -0.0005678700000000, -0.0000644100000000, 0.0001620300000000 ] - [ 0.0009833100000000, -0.0000273100000000, 0.0024473200000000 ] - [ 0.0004971300000000, 0.0000000000000000, 0.0000284200000000 ] - [ 0.0009833100000000, 0.0000273100000000, 0.0024473200000000 ] - [ 0.0005747300000000, -0.0000392500000000, 0.0012432400000000 ] - [ 0.0000071300000000, 0.0000000000000000, 0.0006132600000000 ] - [ 0.0005747300000000, 0.0000392500000000, 0.0012432400000000 ] - [ 0.0001513600000000, 0.0000000000000000, -0.0001411300000000 ] - [ 0.0002804400000000, -0.0001040200000000, -0.0000859100000000 ] - [ 0.0002804400000000, 0.0001040200000000, -0.0000859100000000 ] - [ 0.0014552000000000, 0.0002362300000000, -0.0019196200000000 ] - [ 0.0003062400000000, 0.0000000000000000, -0.0001189900000000 ] - [ 0.0014552000000000, -0.0002362300000000, -0.0019196200000000 ] - [ 0.0043636900000000, -0.0021373700000000, -0.0011420900000000 ] - [ -0.0003798200000000, 0.0000000000000000, -0.0004237100000000 ] - [ 0.0043636900000000, 0.0021373700000000, -0.0011420900000000 ] - [ 0.0020867400000000, 0.0000000000000000, 0.0001642100000000 ] - [ 0.0027982600000000, -0.0028493600000000, 0.0006028700000000 ] - [ 0.0027982600000000, 0.0028493600000000, 0.0006028700000000 ] - [ 0.0030165800000000, 0.0000000000000000, -0.0000343200000000 ] - [ 0.0032008700000000, -0.0040986000000000, -0.0005999800000000 ] - [ 0.0032008700000000, 0.0040986000000000, -0.0005999800000000 ] - [ 0.0013809000000000, -0.0000461400000000, -0.0003995500000000 ] - [ 0.0004960200000000, 0.0000000000000000, -0.0001603100000000 ] - [ 0.0013809000000000, 0.0000461400000000, -0.0003995500000000 ] - [ -0.0001500500000000, 0.0000000000000000, -0.0005759200000000 ] - [ -0.0000173400000000, -0.0000486300000000, -0.0006651400000000 ] - [ -0.0000173400000000, 0.0000486300000000, -0.0006651400000000 ] - [ -0.0003337200000000, 0.0000000000000000, 0.0001342900000000 ] - [ -0.0003230800000000, -0.0000550000000000, 0.0001980300000000 ] - [ -0.0003230800000000, 0.0000550000000000, 0.0001980300000000 ] - [ 0.0006945100000000, 0.0000000000000000, -0.0010925500000000 ] - [ 0.0007066700000000, -0.0000406200000000, -0.0011967200000000 ] - [ 0.0007066700000000, 0.0000406200000000, -0.0011967200000000 ] - [ 0.0019978400000000, -0.0000654400000000, 0.0032845200000000 ] - [ 0.0012829500000000, 0.0000000000000000, 0.0021426100000000 ] - [ 0.0019978400000000, 0.0000654400000000, 0.0032845200000000 ] - [ 0.0041031400000000, -0.0005154200000000, 0.0013875300000000 ] - [ 0.0021500200000000, 0.0000000000000000, -0.0004614900000000 ] - [ 0.0041031400000000, 0.0005154200000000, 0.0013875300000000 ] - [ 0.0063935800000000, 0.0000000000000000, -0.0021126400000000 ] - [ 0.0055308900000000, 0.0083724400000000, -0.0031707700000000 ] - [ 0.0055308900000000, -0.0083724400000000, -0.0031707700000000 ] - [ 0.0016994200000000, -0.0000366700000000, -0.0011577400000000 ] - [ 0.0004952400000000, 0.0000000000000000, -0.0011410500000000 ] - [ 0.0016994200000000, 0.0000366700000000, -0.0011577400000000 ] - [ 0.0009405500000000, 0.0000000000000000, -0.0008416500000000 ] - [ -0.0002153300000000, 0.0000661300000000, -0.0001624800000000 ] - [ -0.0002153300000000, -0.0000661300000000, -0.0001624800000000 ] - [ -0.0008934000000000, -0.0001671400000000, 0.0025246600000000 ] - [ -0.0007455600000000, 0.0000000000000000, 0.0007900600000000 ] - [ -0.0008934000000000, 0.0001671400000000, 0.0025246600000000 ] - [ 0.0007488800000000, 0.0000000000000000, 0.0008222200000000 ] - [ 0.0008046300000000, -0.0000487300000000, 0.0007507900000000 ] - [ 0.0008046300000000, 0.0000487300000000, 0.0007507900000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002189500000000, -0.0036698600000000, 0.0001514200000000 ] - [ 0.0000708200000000, 0.0002391900000000, -0.0002073800000000 ] - [ -0.0004732800000000, 0.0002385500000000, 0.0004442900000000 ] - [ -0.0002262500000000, 0.0000060300000000, 0.0002953000000000 ] - [ -0.0001134600000000, -0.0000414400000000, 0.0002286600000000 ] - [ -0.0000014600000000, 0.0000079300000000, 0.0001661300000000 ] - [ 0.0001187800000000, 0.0000723800000000, -0.0002156300000000 ] - [ 0.0001353700000000, -0.0000369100000000, -0.0002157300000000 ] - [ 0.0000934700000000, -0.0000370500000000, -0.0002451600000000 ] - [ 0.0002368200000000, 0.0000009300000000, -0.0001434500000000 ] - [ 0.0002044800000000, 0.0000026800000000, -0.0001204300000000 ] - [ 0.0001686500000000, 0.0000039500000000, -0.0001022800000000 ] - [ 0.0000938600000000, 0.0001250900000000, 0.0004365400000000 ] - [ 0.0001431900000000, -0.0000656500000000, 0.0004263000000000 ] - [ 0.0000460300000000, -0.0000629300000000, 0.0004457500000000 ] - [ 0.0004873500000000, -0.0014979200000000, -0.0001592400000000 ] - [ 0.0008661100000000, 0.0001350100000000, 0.0008796300000000 ] - [ 0.0001623800000000, 0.0001464600000000, -0.0010918600000000 ] - [ -0.0001707800000000, 0.0000821200000000, 0.0007132100000000 ] - [ 0.0000563500000000, -0.0001315600000000, 0.0009238400000000 ] - [ 0.0002857500000000, 0.0000847400000000, 0.0011276400000000 ] - [ 0.0003942300000000, -0.0010913800000000, 0.0025514000000000 ] - [ 0.0005040500000000, -0.0007464800000000, -0.0004321600000000 ] - [ 0.0006187800000000, -0.0010336600000000, -0.0033892600000000 ] - [ -0.0002109600000000, -0.0013226700000000, -0.0034876200000000 ] - [ 0.0004981700000000, -0.0009044400000000, 0.0000480800000000 ] - [ 0.0012144400000000, -0.0012543300000000, 0.0035521400000000 ] - [ -0.0005084200000000, 0.0009288900000000, -0.0000578900000000 ] - [ -0.0002719400000000, -0.0003482600000000, -0.0006803500000000 ] - [ -0.0007457100000000, -0.0003453500000000, 0.0005737700000000 ] - [ -0.0005102700000000, 0.0002857400000000, 0.0004374500000000 ] - [ -0.0009505000000000, 0.0001025900000000, 0.0001485700000000 ] - [ -0.0000772500000000, 0.0001055100000000, 0.0007276200000000 ] - [ -0.0000538200000000, 0.0004217400000000, -0.0009193200000000 ] - [ 0.0003912800000000, -0.0000705700000000, 0.0002637000000000 ] - [ -0.0005026200000000, -0.0000687400000000, -0.0021126800000000 ] - [ 0.0003954800000000, -0.0022211500000000, 0.0013570800000000 ] - [ -0.0004990100000000, -0.0009995200000000, 0.0001150600000000 ] - [ -0.0013878000000000, -0.0021541100000000, -0.0011154000000000 ] - [ 0.0000093500000000, 0.0001519300000000, -0.0003029700000000 ] - [ -0.0000947900000000, -0.0002877300000000, -0.0004369100000000 ] - [ -0.0001977300000000, 0.0001559100000000, -0.0005709000000000 ] - [ 0.0000762100000000, -0.0000072300000000, -0.0004127400000000 ] - [ -0.0000617000000000, 0.0000145800000000, -0.0001497800000000 ] - [ -0.0002048900000000, -0.0000072400000000, 0.0001143500000000 ] - [ -0.0004914500000000, -0.1504603800000000, 0.0002297900000000 ] - [ -0.0004878800000000, 0.0016409900000000, 0.0003721600000000 ] - [ -0.0004956900000000, 0.0016388700000000, 0.0001608700000000 ] - [ 0.0005304600000000, -0.0000286200000000, 0.0007437300000000 ] - [ 0.0001114000000000, -0.0000275800000000, 0.0002997400000000 ] - [ -0.0003027400000000, -0.0000292900000000, -0.0001412500000000 ] - [ -0.0001149600000000, 0.0000191900000000, -0.0003013400000000 ] - [ -0.0002152300000000, -0.0000116200000000, -0.0003285200000000 ] - [ -0.0000117700000000, -0.0000116700000000, -0.0002728300000000 ] - [ 0.0008828900000000, 0.0000230900000000, -0.0007156600000000 ] - [ 0.0004909200000000, -0.0000313100000000, -0.0002631100000000 ] - [ 0.0000909000000000, 0.0000220700000000, 0.0001884700000000 ] - [ 0.0000674100000000, -0.0000232900000000, 0.0001402100000000 ] - [ -0.0000225400000000, 0.0000144800000000, 0.0002300700000000 ] - [ 0.0001480400000000, 0.0000145300000000, 0.0000630800000000 ] - [ -0.0007269100000000, 0.0000021300000000, -0.0006212400000000 ] - [ -0.0007502200000000, 0.0000152900000000, -0.0006761300000000 ] - [ -0.0007717800000000, 0.0000006600000000, -0.0007339600000000 ] - [ 0.0006679400000000, 0.0527884500000000, -0.0000168500000000 ] - [ 0.0006942300000000, -0.0008621000000000, -0.0000749300000000 ] - [ 0.0018280000000000, -0.0008513900000000, 0.0000341500000000 ] - [ -0.0006046800000000, 0.0000139300000000, 0.0006017800000000 ] - [ 0.0000976500000000, -0.0001096100000000, 0.0004984700000000 ] - [ 0.0008026500000000, 0.0000025900000000, 0.0003905200000000 ] - [ -0.0002477700000000, -0.0000922800000000, 0.0001907800000000 ] - [ -0.0002143600000000, 0.0000646400000000, 0.0001959100000000 ] - [ -0.0002755900000000, 0.0000629800000000, 0.0001839400000000 ] - [ 0.0007203900000000, 0.0003530200000000, 0.0001500400000000 ] - [ 0.0002161100000000, -0.0002213500000000, -0.0000114900000000 ] - [ -0.0002856800000000, 0.0003253500000000, -0.0001667900000000 ] - [ -0.0001908500000000, 0.0500984300000000, 0.0000155900000000 ] - [ -0.0001202600000000, -0.0007008700000000, -0.0001898500000000 ] - [ -0.0009372900000000, -0.0006944400000000, 0.0013685300000000 ] - [ -0.0002556500000000, 0.0532609800000000, -0.0009486600000000 ] - [ 0.0000675800000000, -0.0007934800000000, -0.0010109300000000 ] - [ -0.0011631000000000, -0.0007845900000000, -0.0020999700000000 ] - [ -0.0008895000000000, -0.0000461100000000, 0.0006535900000000 ] - [ -0.0008167300000000, 0.0000916200000000, 0.0006103100000000 ] - [ -0.0007434200000000, -0.0000476100000000, 0.0005688400000000 ] - [ 0.0004364400000000, -0.0003922800000000, -0.0013904400000000 ] - [ 0.0001711700000000, 0.0001396700000000, -0.0005013700000000 ] - [ -0.0000975100000000, -0.0003937900000000, 0.0003830700000000 ] - [ -0.0004175700000000, 0.0000212500000000, 0.0002768200000000 ] - [ -0.0002970800000000, 0.0000163900000000, 0.0004989100000000 ] - [ -0.0001774600000000, 0.0000196500000000, 0.0007234800000000 ] - [ 0.0005326800000000, -0.0001099900000000, 0.0001342500000000 ] - [ 0.0006066600000000, 0.0000490700000000, 0.0001316800000000 ] - [ 0.0004564800000000, 0.0000478300000000, 0.0001374900000000 ] - [ -0.0001027900000000, -0.0005312100000000, 0.0014230700000000 ] - [ 0.0003435900000000, 0.0004050700000000, 0.0003795900000000 ] - [ 0.0007887600000000, -0.0005314600000000, -0.0006615300000000 ] - [ 0.0005612300000000, -0.0007313800000000, 0.0002677000000000 ] - [ -0.0004505200000000, 0.0005619500000000, 0.0000104600000000 ] - [ -0.0014651000000000, -0.0007426900000000, -0.0002475100000000 ] - [ 0.0004432400000000, -0.0007795300000000, -0.0000051000000000 ] - [ -0.0009615400000000, 0.0022656700000000, -0.0002077800000000 ] - [ 0.0018618300000000, 0.0022499400000000, 0.0001836300000000 ] - [ -0.0003497400000000, -0.0013560500000000, -0.0003852400000000 ] - [ -0.0020419100000000, 0.0029335800000000, -0.0000179300000000 ] - [ 0.0013559200000000, 0.0029139200000000, -0.0007464900000000 ] - [ -0.0007168100000000, -0.0002024200000000, -0.0002599400000000 ] - [ -0.0005315500000000, 0.0003447500000000, -0.0001344500000000 ] - [ -0.0003499900000000, -0.0002040600000000, -0.0000093900000000 ] - [ 0.0002982000000000, -0.0000469200000000, -0.0004987900000000 ] - [ 0.0003326700000000, 0.0000250100000000, -0.0004753200000000 ] - [ 0.0002627200000000, 0.0000250700000000, -0.0005243800000000 ] - [ -0.0001695400000000, -0.0000873900000000, 0.0005060000000000 ] - [ -0.0001167500000000, 0.0000250500000000, 0.0006625300000000 ] - [ -0.0002259400000000, 0.0000248100000000, 0.0003469800000000 ] - [ 0.0008165800000000, -0.0001261200000000, -0.0006122300000000 ] - [ 0.0007556600000000, 0.0000738900000000, -0.0010522900000000 ] - [ 0.0008768100000000, 0.0000719900000000, -0.0001677500000000 ] - [ 0.0005482400000000, -0.0001052100000000, 0.0018399100000000 ] - [ 0.0005496600000000, 0.0002118300000000, 0.0015561200000000 ] - [ 0.0005549100000000, -0.0001067300000000, 0.0012745100000000 ] - [ 0.0008458400000000, -0.0004021400000000, 0.0000264200000000 ] - [ 0.0005283000000000, 0.0004174500000000, -0.0005958200000000 ] - [ 0.0002136100000000, -0.0004023500000000, -0.0012199900000000 ] - [ -0.0002067400000000, -0.0012794700000000, 0.0000071000000000 ] - [ 0.0009107400000000, 0.0030073800000000, -0.0009418100000000 ] - [ -0.0013424100000000, 0.0029887600000000, 0.0009610900000000 ] - [ -0.0000310900000000, -0.0002458600000000, -0.0001330000000000 ] - [ 0.0002432800000000, 0.0004551700000000, -0.0001892800000000 ] - [ 0.0005198100000000, -0.0002481200000000, -0.0002451000000000 ] - [ -0.0000960000000000, -0.0000024000000000, -0.0004804600000000 ] - [ -0.0001648100000000, 0.0000183000000000, -0.0006797100000000 ] - [ -0.0000370100000000, 0.0000158600000000, -0.0003143500000000 ] - [ -0.0015114200000000, 0.0001483700000000, 0.0001615000000000 ] - [ -0.0012636000000000, -0.0001194600000000, 0.0000179000000000 ] - [ -0.0010098400000000, 0.0001344300000000, -0.0001233600000000 ] - [ 0.0007493600000000, -0.0000887700000000, 0.0006810000000000 ] - [ 0.0007524400000000, 0.0000464900000000, 0.0006223900000000 ] - [ 0.0007475700000000, 0.0000457200000000, 0.0007313700000000 ]- atom: 46 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0144394200000000, 0.0000000000000000, 0.0174525200000000 ] - [ -0.0005912200000000, -0.0011214300000000, -0.0000977200000000 ] - [ -0.0005912200000000, 0.0011214300000000, -0.0000977200000000 ] - [ -0.0006051700000000, -0.0002116900000000, 0.0013675400000000 ] - [ -0.0003434500000000, 0.0000000000000000, 0.0007440300000000 ] - [ -0.0006051700000000, 0.0002116900000000, 0.0013675400000000 ] - [ -0.0000379800000000, 0.0000000000000000, 0.0006884000000000 ] - [ -0.0001025400000000, -0.0000656300000000, 0.0004213900000000 ] - [ -0.0001025400000000, 0.0000656300000000, 0.0004213900000000 ] - [ 0.0004773700000000, 0.0006188300000000, -0.0000044300000000 ] - [ 0.0001185800000000, 0.0000000000000000, 0.0000354000000000 ] - [ 0.0004773700000000, -0.0006188300000000, -0.0000044300000000 ] - [ 0.0000519200000000, 0.0000000000000000, 0.0033685700000000 ] - [ 0.0002994300000000, -0.0003691900000000, 0.0025867400000000 ] - [ 0.0002994300000000, 0.0003691900000000, 0.0025867400000000 ] - [ 0.0265038600000000, 0.0000000000000000, 0.0215823700000000 ] - [ 0.0027582800000000, 0.0028518000000000, -0.0011671400000000 ] - [ 0.0027582800000000, -0.0028518000000000, -0.0011671400000000 ] - [ 0.0004269000000000, 0.0005052200000000, 0.0056102800000000 ] - [ 0.0003507900000000, 0.0000000000000000, 0.0031517000000000 ] - [ 0.0004269000000000, -0.0005052200000000, 0.0056102800000000 ] - [ -0.0201622800000000, 0.0205756400000000, 0.0075895900000000 ] - [ 0.0018293800000000, 0.0000000000000000, -0.0023248100000000 ] - [ -0.0201622800000000, -0.0205756400000000, 0.0075895900000000 ] - [ 0.0167660400000000, -0.0188626900000000, 0.0040076900000000 ] - [ -0.0012508400000000, 0.0000000000000000, -0.0017684900000000 ] - [ 0.0167660400000000, 0.0188626900000000, 0.0040076900000000 ] - [ -0.0024023300000000, 0.0000000000000000, 0.0020375200000000 ] - [ -0.0016985000000000, 0.0012410300000000, 0.0018992600000000 ] - [ -0.0016985000000000, -0.0012410300000000, 0.0018992600000000 ] - [ -0.0023176600000000, 0.0000000000000000, -0.0077501500000000 ] - [ -0.0012910200000000, 0.0004620800000000, -0.0067087200000000 ] - [ -0.0012910200000000, -0.0004620800000000, -0.0067087200000000 ] - [ 0.0015935500000000, 0.0000000000000000, 0.0013669600000000 ] - [ 0.0013767100000000, -0.0003527400000000, 0.0010793400000000 ] - [ 0.0013767100000000, 0.0003527400000000, 0.0010793400000000 ] - [ -0.0064056900000000, -0.0039487900000000, -0.0025142300000000 ] - [ -0.0002253700000000, 0.0000000000000000, -0.0024368700000000 ] - [ -0.0064056900000000, 0.0039487900000000, -0.0025142300000000 ] - [ 0.0006581400000000, 0.0002795400000000, 0.0020972800000000 ] - [ 0.0003359500000000, 0.0000000000000000, 0.0014607900000000 ] - [ 0.0006581400000000, -0.0002795400000000, 0.0020972800000000 ] - [ -0.0005349900000000, 0.0000929300000000, 0.0033167900000000 ] - [ 0.0008225200000000, 0.0000000000000000, 0.0003597000000000 ] - [ -0.0005349900000000, -0.0000929300000000, 0.0033167900000000 ] - [ 0.1053392100000000, 0.0000000000000000, -0.4649567500000000 ] - [ 0.0002870400000000, -0.0001062400000000, -0.0069467100000000 ] - [ 0.0002870400000000, 0.0001062400000000, -0.0069467100000000 ] - [ 0.0026879100000000, -0.0001058000000000, 0.0032403600000000 ] - [ 0.0001563400000000, 0.0000000000000000, 0.0016012100000000 ] - [ 0.0026879100000000, 0.0001058000000000, 0.0032403600000000 ] - [ 0.0003516500000000, 0.0000000000000000, 0.0020410400000000 ] - [ 0.0000980700000000, 0.0000064400000000, 0.0013474900000000 ] - [ 0.0000980700000000, -0.0000064400000000, 0.0013474900000000 ] - [ 0.0016608500000000, -0.0005346900000000, -0.0026087400000000 ] - [ 0.0005952600000000, 0.0000000000000000, -0.0018849100000000 ] - [ 0.0016608500000000, 0.0005346900000000, -0.0026087400000000 ] - [ -0.0011199900000000, 0.0000000000000000, 0.0042034400000000 ] - [ 0.0008200600000000, 0.0000699200000000, 0.0018334900000000 ] - [ 0.0008200600000000, -0.0000699200000000, 0.0018334900000000 ] - [ -0.0006265200000000, 0.0001902000000000, -0.0029915600000000 ] - [ -0.0008872700000000, 0.0000000000000000, -0.0014886000000000 ] - [ -0.0006265200000000, -0.0001902000000000, -0.0029915600000000 ] - [ -0.0449261200000000, 0.0000000000000000, 0.0448720500000000 ] - [ 0.0005801500000000, 0.0005135300000000, 0.0024638900000000 ] - [ 0.0005801500000000, -0.0005135300000000, 0.0024638900000000 ] - [ 0.0036450000000000, 0.0024979300000000, -0.0009901800000000 ] - [ 0.0004030300000000, 0.0000000000000000, 0.0009156500000000 ] - [ 0.0036450000000000, -0.0024979300000000, -0.0009901800000000 ] - [ 0.0002270500000000, 0.0000000000000000, -0.0010015900000000 ] - [ -0.0007104800000000, -0.0004384800000000, -0.0006186800000000 ] - [ -0.0007104800000000, 0.0004384800000000, -0.0006186800000000 ] - [ -0.0011602700000000, -0.0026526400000000, -0.0035003100000000 ] - [ 0.0003928100000000, 0.0000000000000000, -0.0007222300000000 ] - [ -0.0011602700000000, 0.0026526400000000, -0.0035003100000000 ] - [ -0.1044537800000000, 0.0000000000000000, 0.1978399600000000 ] - [ -0.0025463000000000, -0.0021570300000000, 0.0045776800000000 ] - [ -0.0025463000000000, 0.0021570300000000, 0.0045776800000000 ] - [ 0.0445140900000000, 0.0000000000000000, 0.1640235700000000 ] - [ 0.0008431400000000, 0.0017983700000000, 0.0022659600000000 ] - [ 0.0008431400000000, -0.0017983700000000, 0.0022659600000000 ] - [ -0.0013914200000000, 0.0000964500000000, -0.0017476600000000 ] - [ -0.0010887000000000, 0.0000000000000000, -0.0010595300000000 ] - [ -0.0013914200000000, -0.0000964500000000, -0.0017476600000000 ] - [ -0.0001452500000000, -0.0005029400000000, -0.0048201900000000 ] - [ 0.0000078700000000, 0.0000000000000000, -0.0010878700000000 ] - [ -0.0001452500000000, 0.0005029400000000, -0.0048201900000000 ] - [ -0.0011352200000000, 0.0000293400000000, -0.0016623600000000 ] - [ -0.0003241500000000, 0.0000000000000000, -0.0006184000000000 ] - [ -0.0011352200000000, -0.0000293400000000, -0.0016623600000000 ] - [ 0.0006965900000000, 0.0000000000000000, -0.0017489000000000 ] - [ 0.0006959200000000, -0.0004000800000000, -0.0012936300000000 ] - [ 0.0006959200000000, 0.0004000800000000, -0.0012936300000000 ] - [ 0.0021072700000000, 0.0005066300000000, -0.0040888700000000 ] - [ -0.0003886900000000, 0.0000000000000000, -0.0001750600000000 ] - [ 0.0021072700000000, -0.0005066300000000, -0.0040888700000000 ] - [ 0.0007023100000000, -0.0007138500000000, 0.0072257400000000 ] - [ -0.0003373900000000, 0.0000000000000000, 0.0038526700000000 ] - [ 0.0007023100000000, 0.0007138500000000, 0.0072257400000000 ] - [ 0.0065135700000000, 0.0000000000000000, 0.0006670100000000 ] - [ 0.0067014800000000, -0.0068344300000000, 0.0030244200000000 ] - [ 0.0067014800000000, 0.0068344300000000, 0.0030244200000000 ] - [ -0.0076089400000000, 0.0000000000000000, 0.0009152900000000 ] - [ -0.0066498900000000, 0.0073599500000000, 0.0024145800000000 ] - [ -0.0066498900000000, -0.0073599500000000, 0.0024145800000000 ] - [ -0.0015643200000000, 0.0001466000000000, -0.0013668000000000 ] - [ -0.0006285100000000, 0.0000000000000000, -0.0014649900000000 ] - [ -0.0015643200000000, -0.0001466000000000, -0.0013668000000000 ] - [ 0.0002474200000000, 0.0000000000000000, -0.0025954500000000 ] - [ 0.0002549900000000, 0.0001547400000000, -0.0019658700000000 ] - [ 0.0002549900000000, -0.0001547400000000, -0.0019658700000000 ] - [ -0.0005233700000000, 0.0000000000000000, -0.0017620500000000 ] - [ -0.0004015800000000, -0.0000754600000000, -0.0010027100000000 ] - [ -0.0004015800000000, 0.0000754600000000, -0.0010027100000000 ] - [ 0.0005431400000000, 0.0000000000000000, -0.0027061200000000 ] - [ 0.0005286500000000, -0.0000208900000000, -0.0022708300000000 ] - [ 0.0005286500000000, 0.0000208900000000, -0.0022708300000000 ] - [ 0.0010663400000000, -0.0003888000000000, 0.0026047500000000 ] - [ 0.0012820700000000, 0.0000000000000000, 0.0023880800000000 ] - [ 0.0010663400000000, 0.0003888000000000, 0.0026047500000000 ] - [ 0.0002843800000000, 0.0001703100000000, 0.0021126600000000 ] - [ 0.0007044700000000, 0.0000000000000000, 0.0012662800000000 ] - [ 0.0002843800000000, -0.0001703100000000, 0.0021126600000000 ] - [ 0.0002824000000000, 0.0000000000000000, 0.0008853400000000 ] - [ 0.0007735800000000, 0.0016373300000000, 0.0006688600000000 ] - [ 0.0007735800000000, -0.0016373300000000, 0.0006688600000000 ] - [ 0.0009009400000000, 0.0001197500000000, -0.0009843400000000 ] - [ -0.0005336500000000, 0.0000000000000000, -0.0004651800000000 ] - [ 0.0009009400000000, -0.0001197500000000, -0.0009843400000000 ] - [ -0.0010421400000000, 0.0000000000000000, -0.0075089500000000 ] - [ -0.0001242900000000, -0.0003047800000000, -0.0013945300000000 ] - [ -0.0001242900000000, 0.0003047800000000, -0.0013945300000000 ] - [ -0.0036157300000000, -0.0018856800000000, 0.0026353000000000 ] - [ -0.0021422100000000, 0.0000000000000000, 0.0010779100000000 ] - [ -0.0036157300000000, 0.0018856800000000, 0.0026353000000000 ] - [ 0.0004143200000000, 0.0000000000000000, -0.0028131200000000 ] - [ 0.0004338100000000, 0.0000521300000000, -0.0008736200000000 ] - [ 0.0004338100000000, -0.0000521300000000, -0.0008736200000000 ]- atom: 46 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0143315500000000, 0.0000000000000000, -0.0175930300000000 ] - [ 0.0001877200000000, 0.0011279600000000, 0.0003549700000000 ] - [ 0.0001877200000000, -0.0011279600000000, 0.0003549700000000 ] - [ 0.0003779900000000, 0.0002125800000000, -0.0008994700000000 ] - [ 0.0001171700000000, 0.0000000000000000, -0.0002691100000000 ] - [ 0.0003779900000000, -0.0002125800000000, -0.0008994700000000 ] - [ 0.0002635000000000, 0.0000000000000000, -0.0011584600000000 ] - [ 0.0003283200000000, 0.0000661000000000, -0.0008917100000000 ] - [ 0.0003283200000000, -0.0000661000000000, -0.0008917100000000 ] - [ -0.0000676200000000, -0.0006102200000000, -0.0002461200000000 ] - [ 0.0002886000000000, 0.0000000000000000, -0.0002831600000000 ] - [ -0.0000676200000000, 0.0006102200000000, -0.0002461200000000 ] - [ 0.0001423200000000, 0.0000000000000000, -0.0024932200000000 ] - [ -0.0001066900000000, 0.0003749100000000, -0.0017091600000000 ] - [ -0.0001066900000000, -0.0003749100000000, -0.0017091600000000 ] - [ -0.0252068300000000, 0.0000000000000000, -0.0215244300000000 ] - [ -0.0017308900000000, -0.0028324200000000, 0.0009138100000000 ] - [ -0.0017308900000000, 0.0028324200000000, 0.0009138100000000 ] - [ -0.0003199800000000, -0.0004999300000000, -0.0037510900000000 ] - [ -0.0002402200000000, 0.0000000000000000, -0.0013065400000000 ] - [ -0.0003199800000000, 0.0004999300000000, -0.0037510900000000 ] - [ 0.0210944700000000, -0.0204915100000000, -0.0083668000000000 ] - [ -0.0008015600000000, 0.0000000000000000, 0.0014397700000000 ] - [ 0.0210944700000000, 0.0204915100000000, -0.0083668000000000 ] - [ -0.0157846500000000, 0.0188864300000000, -0.0039517900000000 ] - [ 0.0022599700000000, 0.0000000000000000, 0.0018754900000000 ] - [ -0.0157846500000000, -0.0188864300000000, -0.0039517900000000 ] - [ 0.0013827400000000, 0.0000000000000000, -0.0021518000000000 ] - [ 0.0006801000000000, -0.0012323300000000, -0.0020119900000000 ] - [ 0.0006801000000000, 0.0012323300000000, -0.0020119900000000 ] - [ 0.0012513300000000, 0.0000000000000000, 0.0086109400000000 ] - [ 0.0002446400000000, -0.0004483200000000, 0.0075639500000000 ] - [ 0.0002446400000000, 0.0004483200000000, 0.0075639500000000 ] - [ -0.0017026200000000, 0.0000000000000000, -0.0031926700000000 ] - [ -0.0014855200000000, 0.0003616200000000, -0.0028984500000000 ] - [ -0.0014855200000000, -0.0003616200000000, -0.0028984500000000 ] - [ 0.0053419200000000, 0.0038772300000000, 0.0028076500000000 ] - [ -0.0007778400000000, 0.0000000000000000, 0.0026595000000000 ] - [ 0.0053419200000000, -0.0038772300000000, 0.0028076500000000 ] - [ -0.0008484400000000, -0.0002721800000000, -0.0029576000000000 ] - [ -0.0005229600000000, 0.0000000000000000, -0.0023252400000000 ] - [ -0.0008484400000000, 0.0002721800000000, -0.0029576000000000 ] - [ 0.0004242800000000, -0.0000947600000000, -0.0036281200000000 ] - [ -0.0009420800000000, 0.0000000000000000, -0.0006428300000000 ] - [ 0.0004242800000000, 0.0000947600000000, -0.0036281200000000 ] - [ -0.0908553100000000, 0.0000000000000000, 0.4589752000000000 ] - [ -0.0012530000000000, 0.0000971900000000, 0.0074679500000000 ] - [ -0.0012530000000000, -0.0000971900000000, 0.0074679500000000 ] - [ -0.0024672100000000, 0.0001061200000000, -0.0026317000000000 ] - [ 0.0000707600000000, 0.0000000000000000, -0.0009926100000000 ] - [ -0.0024672100000000, -0.0001061200000000, -0.0026317000000000 ] - [ -0.0005808400000000, 0.0000000000000000, -0.0026400900000000 ] - [ -0.0003278900000000, -0.0000064100000000, -0.0019463900000000 ] - [ -0.0003278900000000, 0.0000064100000000, -0.0019463900000000 ] - [ -0.0006629100000000, 0.0005307600000000, 0.0020643200000000 ] - [ 0.0003897200000000, 0.0000000000000000, 0.0013455100000000 ] - [ -0.0006629100000000, -0.0005307600000000, 0.0020643200000000 ] - [ 0.0012171200000000, 0.0000000000000000, -0.0038726100000000 ] - [ -0.0006895800000000, -0.0000691200000000, -0.0015384600000000 ] - [ -0.0006895800000000, 0.0000691200000000, -0.0015384600000000 ] - [ -0.0008782900000000, -0.0001924800000000, 0.0016385400000000 ] - [ -0.0006183100000000, 0.0000000000000000, 0.0001231300000000 ] - [ -0.0008782900000000, 0.0001924800000000, 0.0016385400000000 ] - [ 0.0468112700000000, 0.0000000000000000, -0.0445793500000000 ] - [ 0.0019369300000000, -0.0005056000000000, -0.0024972400000000 ] - [ 0.0019369300000000, 0.0005056000000000, -0.0024972400000000 ] - [ -0.0034867500000000, -0.0025321800000000, 0.0019822000000000 ] - [ -0.0002053400000000, 0.0000000000000000, 0.0000672900000000 ] - [ -0.0034867500000000, 0.0025321800000000, 0.0019822000000000 ] - [ -0.0007036400000000, 0.0000000000000000, 0.0013740400000000 ] - [ 0.0002179000000000, 0.0004356500000000, 0.0009964800000000 ] - [ 0.0002179000000000, -0.0004356500000000, 0.0009964800000000 ] - [ 0.0016026700000000, 0.0026354200000000, 0.0034674000000000 ] - [ 0.0000436500000000, 0.0000000000000000, 0.0007032900000000 ] - [ 0.0016026700000000, -0.0026354200000000, 0.0034674000000000 ] - [ 0.0941208400000000, 0.0000000000000000, -0.1816672200000000 ] - [ 0.0014842400000000, 0.0021583600000000, -0.0033786100000000 ] - [ 0.0014842400000000, -0.0021583600000000, -0.0033786100000000 ] - [ -0.0513355800000000, 0.0000000000000000, -0.1759355700000000 ] - [ -0.0019413400000000, -0.0017971700000000, -0.0053819900000000 ] - [ -0.0019413400000000, 0.0017971700000000, -0.0053819900000000 ] - [ -0.0002435300000000, -0.0000991800000000, 0.0029620700000000 ] - [ -0.0005482700000000, 0.0000000000000000, 0.0022788900000000 ] - [ -0.0002435300000000, 0.0000991800000000, 0.0029620700000000 ] - [ 0.0004917700000000, 0.0004998800000000, 0.0038130400000000 ] - [ 0.0003342800000000, 0.0000000000000000, 0.0000727600000000 ] - [ 0.0004917700000000, -0.0004998800000000, 0.0038130400000000 ] - [ 0.0005426200000000, -0.0000289100000000, 0.0026556500000000 ] - [ -0.0002707500000000, 0.0000000000000000, 0.0016070600000000 ] - [ 0.0005426200000000, 0.0000289100000000, 0.0026556500000000 ] - [ 0.0003698300000000, 0.0000000000000000, 0.0020142800000000 ] - [ 0.0003699600000000, 0.0003974700000000, 0.0015593900000000 ] - [ 0.0003699600000000, -0.0003974700000000, 0.0015593900000000 ] - [ -0.0014101500000000, -0.0005111400000000, 0.0048413500000000 ] - [ 0.0010695600000000, 0.0000000000000000, 0.0009435000000000 ] - [ -0.0014101500000000, 0.0005111400000000, 0.0048413500000000 ] - [ -0.0015899700000000, 0.0006894600000000, -0.0071941400000000 ] - [ -0.0005647900000000, 0.0000000000000000, -0.0038226200000000 ] - [ -0.0015899700000000, -0.0006894600000000, -0.0071941400000000 ] - [ -0.0056163100000000, 0.0000000000000000, -0.0006878400000000 ] - [ -0.0057970800000000, 0.0068318800000000, -0.0030358900000000 ] - [ -0.0057970800000000, -0.0068318800000000, -0.0030358900000000 ] - [ 0.0069142100000000, 0.0000000000000000, -0.0016723800000000 ] - [ 0.0059516000000000, -0.0073405100000000, -0.0031767700000000 ] - [ 0.0059516000000000, 0.0073405100000000, -0.0031767700000000 ] - [ 0.0005033600000000, -0.0001488100000000, 0.0010893900000000 ] - [ -0.0004350400000000, 0.0000000000000000, 0.0011889700000000 ] - [ 0.0005033600000000, 0.0001488100000000, 0.0010893900000000 ] - [ 0.0003471200000000, 0.0000000000000000, 0.0015978000000000 ] - [ 0.0003399500000000, -0.0001545900000000, 0.0009660200000000 ] - [ 0.0003399500000000, 0.0001545900000000, 0.0009660200000000 ] - [ 0.0001813600000000, 0.0000000000000000, 0.0027703700000000 ] - [ 0.0000594200000000, 0.0000748100000000, 0.0020122100000000 ] - [ 0.0000594200000000, -0.0000748100000000, 0.0020122100000000 ] - [ 0.0010872300000000, 0.0000000000000000, 0.0014758000000000 ] - [ 0.0011018700000000, 0.0000175500000000, 0.0010364800000000 ] - [ 0.0011018700000000, -0.0000175500000000, 0.0010364800000000 ] - [ 0.0000331200000000, 0.0003870200000000, 0.0005193200000000 ] - [ -0.0001793100000000, 0.0000000000000000, 0.0007345200000000 ] - [ 0.0000331200000000, -0.0003870200000000, 0.0005193200000000 ] - [ 0.0007740200000000, -0.0001741200000000, -0.0032799500000000 ] - [ 0.0003550800000000, 0.0000000000000000, -0.0024467800000000 ] - [ 0.0007740200000000, 0.0001741200000000, -0.0032799500000000 ] - [ -0.0006865500000000, 0.0000000000000000, -0.0008911500000000 ] - [ -0.0011781200000000, -0.0015866700000000, -0.0006690700000000 ] - [ -0.0011781200000000, 0.0015866700000000, -0.0006690700000000 ] - [ -0.0004283000000000, -0.0001205100000000, 0.0006059400000000 ] - [ 0.0010200600000000, 0.0000000000000000, 0.0000782200000000 ] - [ -0.0004283000000000, 0.0001205100000000, 0.0006059400000000 ] - [ 0.0008289500000000, 0.0000000000000000, 0.0064466100000000 ] - [ -0.0000750700000000, 0.0003014800000000, 0.0004064100000000 ] - [ -0.0000750700000000, -0.0003014800000000, 0.0004064100000000 ] - [ 0.0010670400000000, 0.0018694300000000, -0.0025781000000000 ] - [ -0.0003921700000000, 0.0000000000000000, -0.0010320300000000 ] - [ 0.0010670400000000, -0.0018694300000000, -0.0025781000000000 ] - [ 0.0010879800000000, 0.0000000000000000, 0.0041378700000000 ] - [ 0.0010671200000000, -0.0000533800000000, 0.0022260700000000 ] - [ 0.0010671200000000, 0.0000533800000000, 0.0022260700000000 ]- atom: 49 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0014113300000000, -0.0004766900000000, 0.0004755200000000 ] - [ 0.0014113300000000, 0.0004766900000000, 0.0004755200000000 ] - [ 0.0002695400000000, 0.0000000000000000, -0.0000434100000000 ] - [ 0.0139306400000000, 0.0000000000000000, -0.0052094500000000 ] - [ 0.0006242400000000, 0.0012344800000000, -0.0001534700000000 ] - [ 0.0006242400000000, -0.0012344800000000, -0.0001534700000000 ] - [ -0.0009484100000000, -0.0000378700000000, -0.0013372000000000 ] - [ -0.0009484100000000, 0.0000378700000000, -0.0013372000000000 ] - [ -0.0001908900000000, 0.0000000000000000, -0.0002855500000000 ] - [ 0.0001153000000000, 0.0000000000000000, 0.0001658400000000 ] - [ 0.0000952800000000, -0.0000168000000000, 0.0001396300000000 ] - [ 0.0000952800000000, 0.0000168000000000, 0.0001396300000000 ] - [ 0.0058575300000000, -0.0007484300000000, 0.0011755600000000 ] - [ 0.0058575300000000, 0.0007484300000000, 0.0011755600000000 ] - [ 0.0014857400000000, 0.0000000000000000, 0.0015245500000000 ] - [ 0.0013844400000000, -0.0003508000000000, 0.0007910800000000 ] - [ 0.0013844400000000, 0.0003508000000000, 0.0007910800000000 ] - [ 0.0009888300000000, 0.0000000000000000, 0.0002169800000000 ] - [ 0.0013086200000000, 0.0000000000000000, 0.0020674200000000 ] - [ 0.0008199800000000, 0.0001677900000000, 0.0018305000000000 ] - [ 0.0008199800000000, -0.0001677900000000, 0.0018305000000000 ] - [ 0.0018565100000000, 0.0000000000000000, 0.0027200100000000 ] - [ 0.0007054000000000, 0.0007428600000000, 0.0002118300000000 ] - [ 0.0007054000000000, -0.0007428600000000, 0.0002118300000000 ] - [ -0.0166690600000000, 0.0000000000000000, 0.0372135800000000 ] - [ -0.0009639800000000, 0.0031518900000000, 0.0011240000000000 ] - [ -0.0009639800000000, -0.0031518900000000, 0.0011240000000000 ] - [ -0.0008593900000000, -0.0002656000000000, 0.0004662700000000 ] - [ -0.0008593900000000, 0.0002656000000000, 0.0004662700000000 ] - [ -0.0007234300000000, 0.0000000000000000, 0.0004079800000000 ] - [ -0.0036651500000000, -0.0025686700000000, 0.0001235800000000 ] - [ -0.0036651500000000, 0.0025686700000000, 0.0001235800000000 ] - [ -0.0014754600000000, 0.0000000000000000, 0.0001252100000000 ] - [ 0.0144370400000000, 0.0194383600000000, -0.0126329000000000 ] - [ 0.0144370400000000, -0.0194383600000000, -0.0126329000000000 ] - [ -0.0026302000000000, 0.0000000000000000, -0.0026068800000000 ] - [ 0.0014117100000000, 0.0000000000000000, -0.0007524600000000 ] - [ 0.0002833700000000, -0.0003994500000000, -0.0012188400000000 ] - [ 0.0002833700000000, 0.0003994500000000, -0.0012188400000000 ] - [ 0.0170290400000000, 0.0000000000000000, 0.0328886400000000 ] - [ -0.0010511200000000, -0.0024827100000000, 0.0012012100000000 ] - [ -0.0010511200000000, 0.0024827100000000, 0.0012012100000000 ] - [ 0.0055256600000000, 0.0000000000000000, 0.0002778400000000 ] - [ 0.0043285500000000, 0.0012024000000000, -0.0007753800000000 ] - [ 0.0043285500000000, -0.0012024000000000, -0.0007753800000000 ] - [ 0.0022930000000000, 0.0004234400000000, 0.0036336100000000 ] - [ 0.0022930000000000, -0.0004234400000000, 0.0036336100000000 ] - [ 0.0004197500000000, 0.0000000000000000, 0.0005464100000000 ] - [ -0.4412581100000000, 0.0000000000000000, -0.1044094200000000 ] - [ -0.0054015100000000, 0.0006031000000000, -0.0012477300000000 ] - [ -0.0054015100000000, -0.0006031000000000, -0.0012477300000000 ] - [ -0.0001047300000000, 0.0000871900000000, -0.0025044700000000 ] - [ -0.0001047300000000, -0.0000871900000000, -0.0025044700000000 ] - [ 0.0001017800000000, 0.0000000000000000, -0.0002963500000000 ] - [ 0.0001921800000000, 0.0000000000000000, 0.0001734300000000 ] - [ 0.0002445000000000, -0.0001023300000000, -0.0000841300000000 ] - [ 0.0002445000000000, 0.0001023300000000, -0.0000841300000000 ] - [ 0.0012175300000000, -0.0001854300000000, 0.0021033900000000 ] - [ 0.0012175300000000, 0.0001854300000000, 0.0021033900000000 ] - [ 0.0008545900000000, 0.0000000000000000, 0.0013190600000000 ] - [ -0.0052917100000000, 0.0000000000000000, -0.0013447300000000 ] - [ -0.0027838400000000, -0.0007065500000000, -0.0016596600000000 ] - [ -0.0027838400000000, 0.0007065500000000, -0.0016596600000000 ] - [ -0.0012946000000000, -0.0003429400000000, -0.0005766400000000 ] - [ -0.0012946000000000, 0.0003429400000000, -0.0005766400000000 ] - [ 0.0001978700000000, 0.0000000000000000, 0.0000988300000000 ] - [ -0.0023781000000000, 0.0000000000000000, 0.0009697400000000 ] - [ -0.0013280600000000, -0.0004949200000000, 0.0016299400000000 ] - [ -0.0013280600000000, 0.0004949200000000, 0.0016299400000000 ] - [ -0.0010368800000000, 0.0000891200000000, -0.0002180700000000 ] - [ -0.0010368800000000, -0.0000891200000000, -0.0002180700000000 ] - [ -0.0008555200000000, 0.0000000000000000, -0.0000975800000000 ] - [ -0.0006415200000000, 0.0000000000000000, -0.0006325300000000 ] - [ 0.0000367000000000, -0.0001582000000000, -0.0004277600000000 ] - [ 0.0000367000000000, 0.0001582000000000, -0.0004277600000000 ] - [ -0.0009449600000000, 0.0001849700000000, -0.0007200600000000 ] - [ -0.0009449600000000, -0.0001849700000000, -0.0007200600000000 ] - [ -0.0010123000000000, 0.0000000000000000, 0.0006643500000000 ] - [ -0.0036255500000000, 0.0041696600000000, -0.0040133300000000 ] - [ -0.0036255500000000, -0.0041696600000000, -0.0040133300000000 ] - [ -0.0010201000000000, 0.0000000000000000, -0.0018171700000000 ] - [ -0.0016089300000000, 0.0000000000000000, 0.0007886800000000 ] - [ -0.0015071900000000, -0.0001153700000000, -0.0000595400000000 ] - [ -0.0015071900000000, 0.0001153700000000, -0.0000595400000000 ] - [ 0.2340042000000000, 0.0000000000000000, 0.1075533400000000 ] - [ 0.0025634500000000, -0.0024766800000000, 0.0003967800000000 ] - [ 0.0025634500000000, 0.0024766800000000, 0.0003967800000000 ] - [ 0.0499400600000000, 0.0000000000000000, -0.0022249400000000 ] - [ 0.0014552400000000, -0.0002438300000000, 0.0010462800000000 ] - [ 0.0014552400000000, 0.0002438300000000, 0.0010462800000000 ] - [ -0.0006760600000000, -0.0000685000000000, 0.0007564800000000 ] - [ -0.0006760600000000, 0.0000685000000000, 0.0007564800000000 ] - [ 0.0002159900000000, 0.0000000000000000, -0.0000829700000000 ] - [ 0.0006201400000000, 0.0000000000000000, -0.0004179100000000 ] - [ 0.0001922500000000, -0.0001807800000000, -0.0000787300000000 ] - [ 0.0001922500000000, 0.0001807800000000, -0.0000787300000000 ] - [ 0.0071202500000000, 0.0000000000000000, -0.0112874000000000 ] - [ -0.0003169300000000, -0.0003487400000000, -0.0004754400000000 ] - [ -0.0003169300000000, 0.0003487400000000, -0.0004754400000000 ] - [ 0.0005414800000000, 0.0008507100000000, -0.0007275000000000 ] - [ 0.0005414800000000, -0.0008507100000000, -0.0007275000000000 ] - [ 0.0007862100000000, 0.0000000000000000, -0.0000636900000000 ] - [ 0.0068144100000000, 0.0026720100000000, 0.0018756400000000 ] - [ 0.0068144100000000, -0.0026720100000000, 0.0018756400000000 ] - [ 0.0015390600000000, 0.0000000000000000, 0.0002739500000000 ] - [ 0.1214181500000000, 0.0000000000000000, -0.0370460600000000 ] - [ 0.0027230000000000, 0.0017518400000000, -0.0009799000000000 ] - [ 0.0027230000000000, -0.0017518400000000, -0.0009799000000000 ] - [ -0.0032688900000000, 0.0018051800000000, 0.0020032900000000 ] - [ -0.0032688900000000, -0.0018051800000000, 0.0020032900000000 ] - [ -0.0002708200000000, 0.0000000000000000, -0.0005366200000000 ] - [ 0.0003828100000000, -0.0001273700000000, 0.0008011800000000 ] - [ 0.0003828100000000, 0.0001273700000000, 0.0008011800000000 ] - [ -0.0001845700000000, 0.0000000000000000, 0.0002260000000000 ] - [ -0.0040898800000000, -0.0030352800000000, -0.0039286700000000 ] - [ -0.0040898800000000, 0.0030352800000000, -0.0039286700000000 ] - [ 0.0004247800000000, 0.0000000000000000, -0.0006410500000000 ] - [ 0.0007049900000000, 0.0000000000000000, 0.0014185100000000 ] - [ 0.0007140300000000, -0.0000712900000000, 0.0015093500000000 ] - [ 0.0007140300000000, 0.0000712900000000, 0.0015093500000000 ] - [ 0.0016682400000000, 0.0000000000000000, -0.0007599800000000 ] - [ 0.0012398900000000, -0.0003349200000000, -0.0008048000000000 ] - [ 0.0012398900000000, 0.0003349200000000, -0.0008048000000000 ] - [ -0.0013276900000000, 0.0006519700000000, 0.0041674200000000 ] - [ -0.0013276900000000, -0.0006519700000000, 0.0041674200000000 ] - [ 0.0000602800000000, 0.0000000000000000, 0.0010271900000000 ] - [ -0.0060505600000000, 0.0000000000000000, 0.0004228700000000 ] - [ -0.0057141900000000, 0.0048598400000000, -0.0004489100000000 ] - [ -0.0057141900000000, -0.0048598400000000, -0.0004489100000000 ] - [ -0.0002803000000000, 0.0001737200000000, -0.0018364800000000 ] - [ -0.0002803000000000, -0.0001737200000000, -0.0018364800000000 ] - [ -0.0001798500000000, 0.0000000000000000, -0.0012913000000000 ] - [ -0.0010100200000000, 0.0000000000000000, -0.0000230300000000 ] - [ -0.0011429500000000, -0.0000593300000000, 0.0001077300000000 ] - [ -0.0011429500000000, 0.0000593300000000, 0.0001077300000000 ] - [ 0.0012206200000000, -0.0018299400000000, -0.0009630600000000 ] - [ 0.0012206200000000, 0.0018299400000000, -0.0009630600000000 ] - [ 0.0007533900000000, 0.0000000000000000, -0.0006151300000000 ]- atom: 49 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0018140800000000, 0.0004778700000000, -0.0002232300000000 ] - [ -0.0018140800000000, -0.0004778700000000, -0.0002232300000000 ] - [ -0.0006728700000000, 0.0000000000000000, 0.0002952500000000 ] - [ -0.0139457200000000, 0.0000000000000000, 0.0056157200000000 ] - [ -0.0008531100000000, -0.0012266800000000, 0.0006198400000000 ] - [ -0.0008531100000000, 0.0012266800000000, 0.0006198400000000 ] - [ 0.0011493500000000, 0.0000644600000000, 0.0009037400000000 ] - [ 0.0011493500000000, -0.0000644600000000, 0.0009037400000000 ] - [ 0.0004165900000000, 0.0000000000000000, -0.0001710200000000 ] - [ 0.0002894700000000, 0.0000000000000000, -0.0004146300000000 ] - [ 0.0003080000000000, 0.0000163500000000, -0.0003925700000000 ] - [ 0.0003080000000000, -0.0000163500000000, -0.0003925700000000 ] - [ -0.0056532300000000, 0.0007340500000000, -0.0003012700000000 ] - [ -0.0056532300000000, -0.0007340500000000, -0.0003012700000000 ] - [ -0.0012918200000000, 0.0000000000000000, -0.0006487500000000 ] - [ -0.0003629300000000, 0.0003514800000000, -0.0010252700000000 ] - [ -0.0003629300000000, -0.0003514800000000, -0.0010252700000000 ] - [ 0.0000318300000000, 0.0000000000000000, -0.0004529900000000 ] - [ -0.0011915100000000, 0.0000000000000000, -0.0002364200000000 ] - [ -0.0007054200000000, -0.0001650400000000, 0.0000111500000000 ] - [ -0.0007054200000000, 0.0001650400000000, 0.0000111500000000 ] - [ -0.0008310700000000, 0.0000000000000000, -0.0035916700000000 ] - [ 0.0003197600000000, -0.0007429000000000, -0.0010870100000000 ] - [ 0.0003197600000000, 0.0007429000000000, -0.0010870100000000 ] - [ 0.0177008500000000, 0.0000000000000000, -0.0369431800000000 ] - [ 0.0019765700000000, -0.0031509100000000, -0.0010241900000000 ] - [ 0.0019765700000000, 0.0031509100000000, -0.0010241900000000 ] - [ -0.0001580000000000, 0.0002664400000000, -0.0005744900000000 ] - [ -0.0001580000000000, -0.0002664400000000, -0.0005744900000000 ] - [ -0.0002927000000000, 0.0000000000000000, -0.0005151000000000 ] - [ 0.0026329800000000, 0.0025643600000000, 0.0007514400000000 ] - [ 0.0026329800000000, -0.0025643600000000, 0.0007514400000000 ] - [ 0.0004478800000000, 0.0000000000000000, 0.0007474100000000 ] - [ -0.0146432200000000, -0.0194560000000000, 0.0108799300000000 ] - [ -0.0146432200000000, 0.0194560000000000, 0.0108799300000000 ] - [ 0.0025245100000000, 0.0000000000000000, 0.0007601400000000 ] - [ -0.0024324400000000, 0.0000000000000000, 0.0009865900000000 ] - [ -0.0013007100000000, 0.0004014300000000, 0.0014536900000000 ] - [ -0.0013007100000000, -0.0004014300000000, 0.0014536900000000 ] - [ -0.0174108400000000, 0.0000000000000000, -0.0342139800000000 ] - [ 0.0008848100000000, 0.0024871500000000, -0.0020731800000000 ] - [ 0.0008848100000000, -0.0024871500000000, -0.0020731800000000 ] - [ -0.0056209100000000, 0.0000000000000000, -0.0005494700000000 ] - [ -0.0044494300000000, -0.0012005900000000, 0.0004861300000000 ] - [ -0.0044494300000000, 0.0012005900000000, 0.0004861300000000 ] - [ -0.0032711200000000, -0.0004210200000000, -0.0030930800000000 ] - [ -0.0032711200000000, 0.0004210200000000, -0.0030930800000000 ] - [ -0.0014018900000000, 0.0000000000000000, -0.0000159700000000 ] - [ 0.4414639800000000, 0.0000000000000000, 0.0883543600000000 ] - [ 0.0056177200000000, -0.0006149800000000, 0.0018320300000000 ] - [ 0.0056177200000000, 0.0006149800000000, 0.0018320300000000 ] - [ -0.0001345800000000, -0.0000861700000000, 0.0018670600000000 ] - [ -0.0001345800000000, 0.0000861700000000, 0.0018670600000000 ] - [ -0.0003321400000000, 0.0000000000000000, -0.0003064000000000 ] - [ 0.0007906900000000, 0.0000000000000000, -0.0007017200000000 ] - [ 0.0007379700000000, 0.0001022500000000, -0.0004457900000000 ] - [ 0.0007379700000000, -0.0001022500000000, -0.0004457900000000 ] - [ -0.0010849800000000, 0.0001855000000000, -0.0018083200000000 ] - [ -0.0010849800000000, -0.0001855000000000, -0.0018083200000000 ] - [ -0.0007244500000000, 0.0000000000000000, -0.0010251000000000 ] - [ 0.0037530000000000, 0.0000000000000000, -0.0000312000000000 ] - [ 0.0012758400000000, 0.0007007900000000, 0.0002964300000000 ] - [ 0.0012758400000000, -0.0007007900000000, 0.0002964300000000 ] - [ 0.0038183700000000, 0.0003416900000000, 0.0005378800000000 ] - [ 0.0038183700000000, -0.0003416900000000, 0.0005378800000000 ] - [ 0.0023305800000000, 0.0000000000000000, -0.0001357700000000 ] - [ 0.0025674400000000, 0.0000000000000000, 0.0000196100000000 ] - [ 0.0015248000000000, 0.0004945100000000, -0.0006411200000000 ] - [ 0.0015248000000000, -0.0004945100000000, -0.0006411200000000 ] - [ 0.0005357400000000, -0.0000871900000000, 0.0005957200000000 ] - [ 0.0005357400000000, 0.0000871900000000, 0.0005957200000000 ] - [ 0.0003609600000000, 0.0000000000000000, 0.0004768800000000 ] - [ 0.0010746600000000, 0.0000000000000000, 0.0006141000000000 ] - [ 0.0003958100000000, 0.0001584700000000, 0.0004075300000000 ] - [ 0.0003958100000000, -0.0001584700000000, 0.0004075300000000 ] - [ -0.0001142400000000, -0.0001847700000000, 0.0019050300000000 ] - [ -0.0001142400000000, 0.0001847700000000, 0.0019050300000000 ] - [ -0.0000470000000000, 0.0000000000000000, 0.0005237600000000 ] - [ 0.0025177400000000, -0.0041499700000000, 0.0008902600000000 ] - [ 0.0025177400000000, 0.0041499700000000, 0.0008902600000000 ] - [ -0.0000802700000000, 0.0000000000000000, -0.0012986200000000 ] - [ -0.0000049400000000, 0.0000000000000000, 0.0004326300000000 ] - [ -0.0001311200000000, 0.0001097100000000, 0.0012839600000000 ] - [ -0.0001311200000000, -0.0001097100000000, 0.0012839600000000 ] - [ -0.2221338200000000, 0.0000000000000000, -0.0987939600000000 ] - [ -0.0022088000000000, 0.0024727400000000, -0.0013988900000000 ] - [ -0.0022088000000000, -0.0024727400000000, -0.0013988900000000 ] - [ -0.0506649300000000, 0.0000000000000000, 0.0048782600000000 ] - [ -0.0020517300000000, 0.0002615700000000, -0.0000482100000000 ] - [ -0.0020517300000000, -0.0002615700000000, -0.0000482100000000 ] - [ 0.0017362100000000, 0.0000688900000000, -0.0004750600000000 ] - [ 0.0017362100000000, -0.0000688900000000, -0.0004750600000000 ] - [ 0.0008508900000000, 0.0000000000000000, 0.0003515700000000 ] - [ 0.0000640800000000, 0.0000000000000000, 0.0011842200000000 ] - [ 0.0004921400000000, 0.0001806600000000, 0.0008445900000000 ] - [ 0.0004921400000000, -0.0001806600000000, 0.0008445900000000 ] - [ -0.0080034700000000, 0.0000000000000000, 0.0113009100000000 ] - [ -0.0005876500000000, 0.0003476600000000, 0.0004967800000000 ] - [ -0.0005876500000000, -0.0003476600000000, 0.0004967800000000 ] - [ 0.0003643000000000, -0.0008526600000000, 0.0007090900000000 ] - [ 0.0003643000000000, 0.0008526600000000, 0.0007090900000000 ] - [ 0.0001196800000000, 0.0000000000000000, 0.0000434100000000 ] - [ -0.0075112900000000, -0.0026760200000000, -0.0026495800000000 ] - [ -0.0075112900000000, 0.0026760200000000, -0.0026495800000000 ] - [ -0.0022194800000000, 0.0000000000000000, -0.0010375900000000 ] - [ -0.1335300500000000, 0.0000000000000000, 0.0421761400000000 ] - [ -0.0037847700000000, -0.0017447100000000, 0.0007066900000000 ] - [ -0.0037847700000000, 0.0017447100000000, 0.0007066900000000 ] - [ 0.0038481200000000, -0.0017798400000000, -0.0029633900000000 ] - [ 0.0038481200000000, 0.0017798400000000, -0.0029633900000000 ] - [ 0.0008664600000000, 0.0000000000000000, -0.0004611500000000 ] - [ -0.0007069000000000, 0.0001247800000000, 0.0002140100000000 ] - [ -0.0007069000000000, -0.0001247800000000, 0.0002140100000000 ] - [ -0.0001554800000000, 0.0000000000000000, 0.0007824300000000 ] - [ 0.0057406400000000, 0.0030490200000000, 0.0027054400000000 ] - [ 0.0057406400000000, -0.0030490200000000, 0.0027054400000000 ] - [ 0.0012044700000000, 0.0000000000000000, -0.0005821200000000 ] - [ 0.0003954700000000, 0.0000000000000000, 0.0016947300000000 ] - [ 0.0003867300000000, 0.0000713600000000, 0.0016060200000000 ] - [ 0.0003867300000000, -0.0000713600000000, 0.0016060200000000 ] - [ -0.0006103400000000, 0.0000000000000000, -0.0004299000000000 ] - [ -0.0001804700000000, 0.0003345500000000, -0.0003841100000000 ] - [ -0.0001804700000000, -0.0003345500000000, -0.0003841100000000 ] - [ 0.0008978400000000, -0.0006514500000000, -0.0041498800000000 ] - [ 0.0008978400000000, 0.0006514500000000, -0.0041498800000000 ] - [ -0.0004953300000000, 0.0000000000000000, -0.0010033300000000 ] - [ 0.0064564100000000, 0.0000000000000000, -0.0007968000000000 ] - [ 0.0061917300000000, -0.0048538300000000, 0.0000650300000000 ] - [ 0.0061917300000000, 0.0048538300000000, 0.0000650300000000 ] - [ 0.0000799600000000, -0.0001746700000000, 0.0008448200000000 ] - [ 0.0000799600000000, 0.0001746700000000, 0.0008448200000000 ] - [ -0.0000199200000000, 0.0000000000000000, 0.0003020400000000 ] - [ -0.0015192500000000, 0.0000000000000000, 0.0000602000000000 ] - [ -0.0013860900000000, 0.0000595800000000, -0.0000710800000000 ] - [ -0.0013860900000000, -0.0000595800000000, -0.0000710800000000 ] - [ 0.0002495400000000, 0.0018341800000000, 0.0023093000000000 ] - [ 0.0002495400000000, -0.0018341800000000, 0.0023093000000000 ] - [ 0.0007451200000000, 0.0000000000000000, 0.0019687100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001875700000000, 0.0000057500000000, 0.0002327600000000 ] - [ -0.0002219800000000, 0.0000025200000000, 0.0000087100000000 ] - [ -0.0002041200000000, -0.0000730500000000, 0.0001204700000000 ] - [ -0.0001181000000000, -0.0012410400000000, 0.0002327200000000 ] - [ 0.0003682000000000, 0.0002126100000000, 0.0001715200000000 ] - [ -0.0005871700000000, 0.0002122100000000, 0.0002779700000000 ] - [ 0.0003006100000000, -0.0001983800000000, 0.0021392400000000 ] - [ -0.0000630700000000, -0.0001939000000000, -0.0026469700000000 ] - [ 0.0001149000000000, 0.0005083200000000, -0.0002344400000000 ] - [ 0.0002044300000000, 0.0000203100000000, -0.0001202400000000 ] - [ 0.0001981300000000, -0.0000127300000000, -0.0001163100000000 ] - [ 0.0002116500000000, -0.0000115600000000, -0.0001229200000000 ] - [ -0.0002127800000000, 0.0000577000000000, 0.0002290500000000 ] - [ 0.0004097700000000, 0.0000418000000000, 0.0006443700000000 ] - [ 0.0000958300000000, -0.0000915800000000, 0.0004366100000000 ] - [ 0.0004704500000000, -0.0000042000000000, -0.0001501500000000 ] - [ 0.0005496500000000, -0.0000077500000000, -0.0000851300000000 ] - [ 0.0005099100000000, 0.0000145600000000, -0.0001180000000000 ] - [ 0.0000580600000000, -0.0000739100000000, 0.0009258800000000 ] - [ 0.0001061200000000, 0.0000428200000000, 0.0008414900000000 ] - [ 0.0000073500000000, 0.0000467600000000, 0.0010007500000000 ] - [ 0.0005109200000000, -0.0000736300000000, -0.0004421800000000 ] - [ 0.0005519400000000, 0.0000352000000000, -0.0003615600000000 ] - [ 0.0004745600000000, 0.0000384800000000, -0.0005135700000000 ] - [ 0.0005193200000000, -0.0007128100000000, 0.0000239500000000 ] - [ 0.0006569100000000, 0.0005023300000000, 0.0013855100000000 ] - [ 0.0003551100000000, 0.0005121400000000, -0.0012407200000000 ] - [ -0.0004910900000000, -0.0000133000000000, -0.0000325100000000 ] - [ -0.0005244900000000, -0.0000166100000000, -0.0000763200000000 ] - [ -0.0005073300000000, 0.0000297900000000, -0.0000559000000000 ] - [ -0.0001754300000000, -0.0001137000000000, 0.0001537500000000 ] - [ -0.0008448600000000, -0.0001253000000000, 0.0007223300000000 ] - [ -0.0005135800000000, 0.0001559000000000, 0.0004400300000000 ] - [ 0.0014270600000000, -0.0025522200000000, -0.0016543200000000 ] - [ -0.0015778800000000, -0.0026233700000000, -0.0001643600000000 ] - [ -0.0000683900000000, -0.0001126000000000, -0.0009158700000000 ] - [ -0.0005118500000000, 0.0005857600000000, 0.0001152100000000 ] - [ -0.0004366800000000, -0.0002850400000000, -0.0001611600000000 ] - [ -0.0005843800000000, -0.0002813100000000, 0.0003962900000000 ] - [ -0.0000485500000000, -0.0025791700000000, -0.0004096600000000 ] - [ -0.0015514200000000, 0.0003153700000000, -0.0010727300000000 ] - [ 0.0013260000000000, 0.0003261200000000, 0.0001854100000000 ] - [ -0.0000584300000000, 0.0000802100000000, -0.0001453000000000 ] - [ 0.0010165200000000, 0.0003333500000000, -0.0002496900000000 ] - [ -0.0011410700000000, 0.0003302700000000, -0.0000400500000000 ] - [ -0.0005149900000000, -0.0000295400000000, 0.0001480400000000 ] - [ -0.0004701900000000, -0.0000282900000000, 0.0003770000000000 ] - [ -0.0004901900000000, -0.0000276700000000, 0.0002665000000000 ] - [ 0.0005780300000000, -0.1507933900000000, 0.0002764000000000 ] - [ -0.0005069500000000, 0.0023512600000000, 0.0004087000000000 ] - [ 0.0007143100000000, 0.0023263900000000, 0.0001985400000000 ] - [ -0.0000341900000000, -0.0000163000000000, 0.0002286100000000 ] - [ -0.0001937800000000, -0.0000173500000000, -0.0008396300000000 ] - [ -0.0001120800000000, 0.0000348800000000, -0.0003032900000000 ] - [ 0.0004915200000000, 0.0000190900000000, -0.0002651200000000 ] - [ 0.0004753200000000, -0.0000113300000000, -0.0002619000000000 ] - [ 0.0005064300000000, -0.0000118400000000, -0.0002677100000000 ] - [ -0.0000124300000000, 0.0001418300000000, 0.0000332300000000 ] - [ 0.0001410800000000, 0.0001422900000000, 0.0002625900000000 ] - [ 0.0000622400000000, -0.0000406800000000, 0.0001433000000000 ] - [ -0.0007501500000000, -0.0000949400000000, -0.0006821200000000 ] - [ -0.0012600500000000, -0.0001336600000000, -0.0010825900000000 ] - [ -0.0002458400000000, -0.0001353200000000, -0.0002754100000000 ] - [ 0.0012924900000000, -0.0000662500000000, -0.0000012900000000 ] - [ 0.0012380100000000, -0.0000657900000000, -0.0000349200000000 ] - [ 0.0012636100000000, 0.0001181700000000, -0.0000192400000000 ] - [ 0.0000990400000000, -0.0000791800000000, 0.0004979700000000 ] - [ -0.0001469200000000, -0.0000198000000000, 0.0007181200000000 ] - [ 0.0003461700000000, -0.0000212700000000, 0.0002705800000000 ] - [ -0.0001251000000000, -0.0000147100000000, 0.0002010700000000 ] - [ -0.0003696600000000, -0.0000122500000000, 0.0001771200000000 ] - [ -0.0002439900000000, -0.0000469600000000, 0.0001905100000000 ] - [ 0.0002183300000000, -0.0000083200000000, -0.0000107100000000 ] - [ 0.0001833800000000, 0.0000004500000000, -0.0000035400000000 ] - [ 0.0002493700000000, -0.0000011700000000, -0.0000164100000000 ] - [ -0.0005247800000000, 0.0000146900000000, 0.0006189000000000 ] - [ -0.0005348200000000, 0.0000156900000000, 0.0005713600000000 ] - [ -0.0005294000000000, -0.0000206800000000, 0.0005931200000000 ] - [ -0.0002890600000000, -0.0000562300000000, -0.0015566600000000 ] - [ -0.0008071900000000, -0.0000434100000000, -0.0015570000000000 ] - [ -0.0005511600000000, -0.0002843200000000, -0.0015583200000000 ] - [ -0.0008341700000000, 0.0001243500000000, 0.0006101100000000 ] - [ -0.0005948200000000, 0.0000020600000000, 0.0006023300000000 ] - [ -0.0010308600000000, -0.0000019500000000, 0.0006192700000000 ] - [ -0.0005973400000000, 0.0491945400000000, -0.0010171300000000 ] - [ -0.0000257300000000, -0.0011000000000000, -0.0012660600000000 ] - [ 0.0003704700000000, -0.0010814900000000, 0.0002401100000000 ] - [ -0.0003182900000000, 0.0539975000000000, 0.0012084600000000 ] - [ 0.0003695200000000, -0.0012761500000000, 0.0008134100000000 ] - [ -0.0009478300000000, -0.0012573800000000, 0.0001869900000000 ] - [ 0.0006756700000000, 0.0000199200000000, -0.0000787900000000 ] - [ 0.0003853500000000, 0.0000227900000000, 0.0003505300000000 ] - [ 0.0005300500000000, -0.0000327500000000, 0.0001367800000000 ] - [ 0.0003402500000000, 0.0000409100000000, 0.0003828500000000 ] - [ 0.0003682000000000, -0.0000140000000000, 0.0003793700000000 ] - [ 0.0003162100000000, -0.0000155600000000, 0.0003864200000000 ] - [ -0.0004646600000000, 0.0003784900000000, 0.0000309100000000 ] - [ -0.0002812200000000, -0.0000486600000000, -0.0002878700000000 ] - [ -0.0006192400000000, -0.0000518300000000, 0.0003026200000000 ] - [ 0.0005331600000000, 0.0000480300000000, 0.0000160900000000 ] - [ 0.0003713400000000, 0.0000522300000000, -0.0000359800000000 ] - [ 0.0004515900000000, -0.0000600100000000, -0.0000109300000000 ] - [ -0.0013354400000000, -0.0004738300000000, 0.0002838900000000 ] - [ 0.0006554000000000, -0.0004478900000000, -0.0010587400000000 ] - [ -0.0003413500000000, -0.0003997700000000, -0.0003857500000000 ] - [ -0.0001921200000000, 0.0533190400000000, -0.0002843000000000 ] - [ 0.0009894200000000, -0.0007146700000000, -0.0007195600000000 ] - [ -0.0020253300000000, -0.0007098400000000, 0.0004392400000000 ] - [ 0.0009132900000000, -0.0000038700000000, -0.0008299500000000 ] - [ -0.0003258900000000, 0.0000004300000000, -0.0001607100000000 ] - [ 0.0002951100000000, -0.0001735400000000, -0.0004978400000000 ] - [ -0.0003616900000000, 0.0001241900000000, 0.0003819600000000 ] - [ 0.0000217500000000, 0.0001285600000000, 0.0006308100000000 ] - [ -0.0001728900000000, -0.0000766900000000, 0.0005076700000000 ] - [ 0.0009504300000000, 0.0006273700000000, 0.0005444700000000 ] - [ 0.0006876600000000, 0.0006556500000000, -0.0017693900000000 ] - [ 0.0008186400000000, -0.0002603700000000, -0.0006095100000000 ] - [ 0.0005501400000000, 0.0000053700000000, 0.0015567000000000 ] - [ 0.0005606200000000, -0.0000046000000000, 0.0015670900000000 ] - [ 0.0005397200000000, -0.0000055500000000, 0.0015477000000000 ] - [ 0.0005294400000000, 0.0000769200000000, -0.0005937500000000 ] - [ 0.0006118600000000, -0.0000470300000000, -0.0005787800000000 ] - [ 0.0004477000000000, -0.0000488200000000, -0.0006091000000000 ] - [ 0.0002185900000000, -0.0003546100000000, -0.0010472200000000 ] - [ -0.0006525200000000, -0.0003542300000000, 0.0010690400000000 ] - [ -0.0002150600000000, 0.0002449300000000, 0.0000078100000000 ] - [ 0.0002294600000000, -0.0001717700000000, -0.0001861000000000 ] - [ -0.0015539300000000, 0.0015968900000000, -0.0004305700000000 ] - [ 0.0020377200000000, 0.0015804200000000, 0.0000479800000000 ] - [ -0.0000941900000000, -0.0000342200000000, -0.0004167100000000 ] - [ -0.0001058300000000, -0.0000342600000000, -0.0005739700000000 ] - [ -0.0001000000000000, 0.0000173600000000, -0.0004931400000000 ] - [ -0.0012647900000000, 0.0000024600000000, 0.0000190000000000 ] - [ -0.0012548800000000, 0.0000048800000000, 0.0000388600000000 ] - [ -0.0012729500000000, 0.0000041400000000, -0.0000017200000000 ] - [ 0.0012712300000000, 0.0005390600000000, 0.0010833000000000 ] - [ 0.0002302000000000, 0.0005591100000000, 0.0002717100000000 ] - [ 0.0007532500000000, -0.0002095000000000, 0.0006803700000000 ]- atom: 49 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0003066600000000, -0.0003022900000000, 0.0003484200000000 ] - [ 0.0003066600000000, 0.0003022900000000, 0.0003484200000000 ] - [ -0.0001094500000000, 0.0000000000000000, 0.0000334600000000 ] - [ -0.0047610800000000, 0.0000000000000000, -0.0069474700000000 ] - [ -0.0001210600000000, -0.0001352300000000, -0.0007964500000000 ] - [ -0.0001210600000000, 0.0001352300000000, -0.0007964500000000 ] - [ -0.0018368800000000, 0.0086214700000000, 0.0063420200000000 ] - [ -0.0018368800000000, -0.0086214700000000, 0.0063420200000000 ] - [ 0.0000062300000000, 0.0000000000000000, -0.0000332300000000 ] - [ 0.0002852100000000, 0.0000000000000000, 0.0008838400000000 ] - [ 0.0001660500000000, -0.0002626500000000, 0.0003618400000000 ] - [ 0.0001660500000000, 0.0002626500000000, 0.0003618400000000 ] - [ -0.0007114200000000, 0.0021237400000000, -0.0030728600000000 ] - [ -0.0007114200000000, -0.0021237400000000, -0.0030728600000000 ] - [ -0.0000377400000000, 0.0000000000000000, -0.0010110300000000 ] - [ 0.0009999800000000, 0.0002244500000000, 0.0020015000000000 ] - [ 0.0009999800000000, -0.0002244500000000, 0.0020015000000000 ] - [ 0.0006276300000000, 0.0000000000000000, 0.0011314500000000 ] - [ 0.0004767900000000, 0.0000000000000000, 0.0045297900000000 ] - [ 0.0001573200000000, -0.0011624100000000, 0.0016849700000000 ] - [ 0.0001573200000000, 0.0011624100000000, 0.0016849700000000 ] - [ 0.0007564700000000, 0.0000000000000000, 0.0018608500000000 ] - [ 0.0006161600000000, 0.0000615500000000, 0.0012456600000000 ] - [ 0.0006161600000000, -0.0000615500000000, 0.0012456600000000 ] - [ 0.0060565100000000, 0.0000000000000000, 0.0263828900000000 ] - [ 0.0011988200000000, 0.0029370100000000, 0.0003659300000000 ] - [ 0.0011988200000000, -0.0029370100000000, 0.0003659300000000 ] - [ -0.0011927600000000, 0.0004677900000000, 0.0035875900000000 ] - [ -0.0011927600000000, -0.0004677900000000, 0.0035875900000000 ] - [ -0.0006007900000000, 0.0000000000000000, 0.0013323600000000 ] - [ -0.0008263300000000, -0.0003325400000000, 0.0036315000000000 ] - [ -0.0008263300000000, 0.0003325400000000, 0.0036315000000000 ] - [ -0.0006562300000000, 0.0000000000000000, 0.0015169700000000 ] - [ -0.0122172100000000, -0.0119927300000000, 0.0020462800000000 ] - [ -0.0122172100000000, 0.0119927300000000, 0.0020462800000000 ] - [ 0.0003188600000000, 0.0000000000000000, -0.0027881700000000 ] - [ -0.0009102400000000, 0.0000000000000000, 0.0012549900000000 ] - [ -0.0008153100000000, 0.0007292800000000, 0.0009067500000000 ] - [ -0.0008153100000000, -0.0007292800000000, 0.0009067500000000 ] - [ 0.0458077700000000, 0.0000000000000000, -0.0160065000000000 ] - [ 0.0026156000000000, -0.0026109900000000, -0.0027695200000000 ] - [ 0.0026156000000000, 0.0026109900000000, -0.0027695200000000 ] - [ -0.0016416700000000, 0.0000000000000000, -0.0014100800000000 ] - [ -0.0019389900000000, -0.0004182600000000, -0.0012323100000000 ] - [ -0.0019389900000000, 0.0004182600000000, -0.0012323100000000 ] - [ 0.0000036900000000, 0.0003317600000000, 0.0026915900000000 ] - [ 0.0000036900000000, -0.0003317600000000, 0.0026915900000000 ] - [ -0.0004369100000000, 0.0000000000000000, 0.0015613900000000 ] - [ 0.0175712100000000, 0.0000000000000000, -0.4277649600000000 ] - [ -0.0000183000000000, -0.0002526200000000, -0.0050030000000000 ] - [ -0.0000183000000000, 0.0002526200000000, -0.0050030000000000 ] - [ -0.0022282600000000, 0.0004974800000000, -0.0005508000000000 ] - [ -0.0022282600000000, -0.0004974800000000, -0.0005508000000000 ] - [ -0.0001562600000000, 0.0000000000000000, -0.0005623800000000 ] - [ 0.0003391200000000, 0.0000000000000000, 0.0019206700000000 ] - [ 0.0003199600000000, -0.0000028800000000, 0.0012845100000000 ] - [ 0.0003199600000000, 0.0000028800000000, 0.0012845100000000 ] - [ 0.0013283800000000, -0.0001294700000000, 0.0033817600000000 ] - [ 0.0013283800000000, 0.0001294700000000, 0.0033817600000000 ] - [ -0.0001709300000000, 0.0000000000000000, 0.0007192200000000 ] - [ -0.0013179400000000, 0.0000000000000000, 0.0016858200000000 ] - [ -0.0001671300000000, 0.0005763600000000, 0.0012580700000000 ] - [ -0.0001671300000000, -0.0005763600000000, 0.0012580700000000 ] - [ 0.0010841000000000, 0.0000758100000000, -0.0010198400000000 ] - [ 0.0010841000000000, -0.0000758100000000, -0.0010198400000000 ] - [ 0.0013996000000000, 0.0000000000000000, -0.0006219000000000 ] - [ -0.0000187200000000, 0.0000000000000000, 0.0003886600000000 ] - [ 0.0001492400000000, -0.0001151700000000, 0.0008214500000000 ] - [ 0.0001492400000000, 0.0001151700000000, 0.0008214500000000 ] - [ -0.0017935600000000, -0.0005178000000000, -0.0007555100000000 ] - [ -0.0017935600000000, 0.0005178000000000, -0.0007555100000000 ] - [ 0.0000582500000000, 0.0000000000000000, 0.0000407300000000 ] - [ 0.0003594900000000, 0.0000000000000000, -0.0014147100000000 ] - [ 0.0000985200000000, 0.0001313400000000, -0.0007684500000000 ] - [ 0.0000985200000000, -0.0001313400000000, -0.0007684500000000 ] - [ -0.0004082200000000, -0.0000859600000000, -0.0009365200000000 ] - [ -0.0004082200000000, 0.0000859600000000, -0.0009365200000000 ] - [ -0.0003923100000000, 0.0000000000000000, -0.0003346200000000 ] - [ -0.0016554700000000, 0.0014329100000000, -0.0035955500000000 ] - [ -0.0016554700000000, -0.0014329100000000, -0.0035955500000000 ] - [ -0.0011412800000000, 0.0000000000000000, -0.0025831800000000 ] - [ -0.0112745400000000, 0.0000000000000000, -0.0007843700000000 ] - [ -0.0009622600000000, 0.0001900800000000, 0.0010079500000000 ] - [ -0.0009622600000000, -0.0001900800000000, 0.0010079500000000 ] - [ 0.0655221500000000, 0.0000000000000000, 0.0941841200000000 ] - [ 0.0009670800000000, -0.0009558200000000, 0.0017239800000000 ] - [ 0.0009670800000000, 0.0009558200000000, 0.0017239800000000 ] - [ -0.0348613500000000, 0.0000000000000000, 0.2297450200000000 ] - [ -0.0011592200000000, 0.0033273400000000, 0.0032890600000000 ] - [ -0.0011592200000000, -0.0033273400000000, 0.0032890600000000 ] - [ 0.0015376500000000, -0.0007426700000000, -0.0001980600000000 ] - [ 0.0015376500000000, 0.0007426700000000, -0.0001980600000000 ] - [ 0.0004471200000000, 0.0000000000000000, 0.0004747100000000 ] - [ 0.0003021200000000, 0.0000000000000000, -0.0009920400000000 ] - [ 0.0005637200000000, 0.0002807700000000, -0.0005989500000000 ] - [ 0.0005637200000000, -0.0002807700000000, -0.0005989500000000 ] - [ -0.0000900700000000, 0.0000000000000000, -0.0019756200000000 ] - [ -0.0007535000000000, -0.0004470600000000, -0.0012251100000000 ] - [ -0.0007535000000000, 0.0004470600000000, -0.0012251100000000 ] - [ 0.0004458600000000, 0.0000280900000000, -0.0020598100000000 ] - [ 0.0004458600000000, -0.0000280900000000, -0.0020598100000000 ] - [ 0.0005219500000000, 0.0000000000000000, -0.0010948800000000 ] - [ 0.0006691800000000, 0.0025604400000000, -0.0039973000000000 ] - [ 0.0006691800000000, -0.0025604400000000, -0.0039973000000000 ] - [ 0.0004363400000000, 0.0000000000000000, -0.0005129000000000 ] - [ -0.0704604600000000, 0.0000000000000000, 0.0796836100000000 ] - [ -0.0011979300000000, -0.0010133500000000, 0.0024128800000000 ] - [ -0.0011979300000000, 0.0010133500000000, 0.0024128800000000 ] - [ 0.0029198700000000, -0.0009865600000000, 0.0008849800000000 ] - [ 0.0029198700000000, 0.0009865600000000, 0.0008849800000000 ] - [ 0.0004839300000000, 0.0000000000000000, -0.0000616100000000 ] - [ 0.0021876300000000, -0.0013519200000000, -0.0021045400000000 ] - [ 0.0021876300000000, 0.0013519200000000, -0.0021045400000000 ] - [ 0.0000532600000000, 0.0000000000000000, 0.0000540600000000 ] - [ 0.0035702200000000, -0.0005202400000000, 0.0074350400000000 ] - [ 0.0035702200000000, 0.0005202400000000, 0.0074350400000000 ] - [ 0.0005284100000000, 0.0000000000000000, 0.0015739400000000 ] - [ 0.0000468300000000, 0.0000000000000000, 0.0001446700000000 ] - [ 0.0001672700000000, 0.0002668600000000, 0.0005648200000000 ] - [ 0.0001672700000000, -0.0002668600000000, 0.0005648200000000 ] - [ 0.0011697700000000, 0.0000000000000000, -0.0020931300000000 ] - [ 0.0010388900000000, -0.0003720300000000, -0.0016808100000000 ] - [ 0.0010388900000000, 0.0003720300000000, -0.0016808100000000 ] - [ 0.0005298700000000, -0.0000679400000000, -0.0015561500000000 ] - [ 0.0005298700000000, 0.0000679400000000, -0.0015561500000000 ] - [ -0.0004732900000000, 0.0000000000000000, 0.0000967600000000 ] - [ 0.0027754700000000, 0.0000000000000000, -0.0000636400000000 ] - [ 0.0027846900000000, -0.0023019000000000, 0.0007088300000000 ] - [ 0.0027846900000000, 0.0023019000000000, 0.0007088300000000 ] - [ -0.0002697500000000, -0.0000561100000000, -0.0029199900000000 ] - [ -0.0002697500000000, 0.0000561100000000, -0.0029199900000000 ] - [ -0.0001446100000000, 0.0000000000000000, -0.0012423000000000 ] - [ -0.0009527300000000, 0.0000000000000000, -0.0010585900000000 ] - [ -0.0009731400000000, 0.0000875800000000, -0.0007469300000000 ] - [ -0.0009731400000000, -0.0000875800000000, -0.0007469300000000 ] - [ -0.0032595400000000, -0.0019351400000000, -0.0026018000000000 ] - [ -0.0032595400000000, 0.0019351400000000, -0.0026018000000000 ] - [ 0.0004177900000000, 0.0000000000000000, 0.0005630600000000 ]- atom: 49 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0007138700000000, 0.0003063900000000, -0.0000999200000000 ] - [ -0.0007138700000000, -0.0003063900000000, -0.0000999200000000 ] - [ -0.0002942000000000, 0.0000000000000000, 0.0002184600000000 ] - [ 0.0045648100000000, 0.0000000000000000, 0.0074859200000000 ] - [ -0.0001090000000000, 0.0001350100000000, 0.0012679900000000 ] - [ -0.0001090000000000, -0.0001350100000000, 0.0012679900000000 ] - [ 0.0020609700000000, -0.0087150100000000, -0.0068883000000000 ] - [ 0.0020609700000000, 0.0087150100000000, -0.0068883000000000 ] - [ 0.0002202800000000, 0.0000000000000000, -0.0004306200000000 ] - [ 0.0001177200000000, 0.0000000000000000, -0.0011403200000000 ] - [ 0.0002350800000000, 0.0002639300000000, -0.0006208500000000 ] - [ 0.0002350800000000, -0.0002639300000000, -0.0006208500000000 ] - [ 0.0009080900000000, -0.0021419900000000, 0.0039770200000000 ] - [ 0.0009080900000000, 0.0021419900000000, 0.0039770200000000 ] - [ 0.0002305100000000, 0.0000000000000000, 0.0018961300000000 ] - [ 0.0000184000000000, -0.0002256200000000, -0.0022479600000000 ] - [ 0.0000184000000000, 0.0002256200000000, -0.0022479600000000 ] - [ 0.0003924500000000, 0.0000000000000000, -0.0013735100000000 ] - [ -0.0003634900000000, 0.0000000000000000, -0.0027144000000000 ] - [ -0.0000431700000000, 0.0011703200000000, 0.0001581000000000 ] - [ -0.0000431700000000, -0.0011703200000000, 0.0001581000000000 ] - [ 0.0002713100000000, 0.0000000000000000, -0.0027457700000000 ] - [ 0.0004102700000000, -0.0000606400000000, -0.0021290100000000 ] - [ 0.0004102700000000, 0.0000606400000000, -0.0021290100000000 ] - [ -0.0048804200000000, 0.0000000000000000, -0.0261388000000000 ] - [ -0.0001791400000000, -0.0029432900000000, -0.0002741300000000 ] - [ -0.0001791400000000, 0.0029432900000000, -0.0002741300000000 ] - [ 0.0001808500000000, -0.0004705200000000, -0.0037188800000000 ] - [ 0.0001808500000000, 0.0004705200000000, -0.0037188800000000 ] - [ -0.0004142900000000, 0.0000000000000000, -0.0014460600000000 ] - [ -0.0002051500000000, 0.0003306500000000, -0.0027644700000000 ] - [ -0.0002051500000000, -0.0003306500000000, -0.0027644700000000 ] - [ -0.0003708700000000, 0.0000000000000000, -0.0006505900000000 ] - [ 0.0120719400000000, 0.0120335300000000, -0.0038794300000000 ] - [ 0.0120719400000000, -0.0120335300000000, -0.0038794300000000 ] - [ -0.0004322200000000, 0.0000000000000000, 0.0009484800000000 ] - [ -0.0001116000000000, 0.0000000000000000, -0.0010322200000000 ] - [ -0.0002030800000000, -0.0007323300000000, -0.0006792500000000 ] - [ -0.0002030800000000, 0.0007323300000000, -0.0006792500000000 ] - [ -0.0463649300000000, 0.0000000000000000, 0.0151365100000000 ] - [ -0.0028096400000000, 0.0026240300000000, 0.0019138300000000 ] - [ -0.0028096400000000, -0.0026240300000000, 0.0019138300000000 ] - [ 0.0015342500000000, 0.0000000000000000, 0.0011270300000000 ] - [ 0.0018285800000000, 0.0004223100000000, 0.0009446800000000 ] - [ 0.0018285800000000, -0.0004223100000000, 0.0009446800000000 ] - [ -0.0009868800000000, -0.0003315600000000, -0.0021722100000000 ] - [ -0.0009868800000000, 0.0003315600000000, -0.0021722100000000 ] - [ -0.0005441500000000, 0.0000000000000000, -0.0010380400000000 ] - [ -0.0138539000000000, 0.0000000000000000, 0.4451200300000000 ] - [ 0.0002485800000000, 0.0002382400000000, 0.0056359300000000 ] - [ 0.0002485800000000, -0.0002382400000000, 0.0056359300000000 ] - [ 0.0020214000000000, -0.0005033000000000, -0.0000569400000000 ] - [ 0.0020214000000000, 0.0005033000000000, -0.0000569400000000 ] - [ -0.0000709500000000, 0.0000000000000000, -0.0000350700000000 ] - [ 0.0006429000000000, 0.0000000000000000, -0.0024606000000000 ] - [ 0.0006623400000000, 0.0000025700000000, -0.0018227800000000 ] - [ 0.0006623400000000, -0.0000025700000000, -0.0018227800000000 ] - [ -0.0012092900000000, 0.0001336000000000, -0.0031071200000000 ] - [ -0.0012092900000000, -0.0001336000000000, -0.0031071200000000 ] - [ 0.0002998100000000, 0.0000000000000000, -0.0004277300000000 ] - [ -0.0001822600000000, 0.0000000000000000, -0.0030651500000000 ] - [ -0.0013400400000000, -0.0005816400000000, -0.0026299100000000 ] - [ -0.0013400400000000, 0.0005816400000000, -0.0026299100000000 ] - [ 0.0014420600000000, -0.0000773200000000, 0.0009880600000000 ] - [ 0.0014420600000000, 0.0000773200000000, 0.0009880600000000 ] - [ 0.0011264400000000, 0.0000000000000000, 0.0005881000000000 ] - [ 0.0002170200000000, 0.0000000000000000, 0.0006101600000000 ] - [ 0.0000481100000000, 0.0001167000000000, 0.0001701100000000 ] - [ 0.0000481100000000, -0.0001167000000000, 0.0001701100000000 ] - [ 0.0013047400000000, 0.0005204300000000, 0.0011373600000000 ] - [ 0.0013047400000000, -0.0005204300000000, 0.0011373600000000 ] - [ -0.0005522200000000, 0.0000000000000000, 0.0003389200000000 ] - [ 0.0000714600000000, 0.0000000000000000, 0.0014018400000000 ] - [ 0.0003347600000000, -0.0001319200000000, 0.0007513400000000 ] - [ 0.0003347600000000, 0.0001319200000000, 0.0007513400000000 ] - [ -0.0006527800000000, 0.0000866600000000, 0.0021334700000000 ] - [ -0.0006527800000000, -0.0000866600000000, 0.0021334700000000 ] - [ -0.0006685400000000, 0.0000000000000000, 0.0015279900000000 ] - [ 0.0005562800000000, -0.0014313100000000, 0.0004904900000000 ] - [ 0.0005562800000000, 0.0014313100000000, 0.0004904900000000 ] - [ 0.0000428400000000, 0.0000000000000000, -0.0005276000000000 ] - [ 0.0097356500000000, 0.0000000000000000, 0.0020142600000000 ] - [ -0.0006714800000000, -0.0001928200000000, 0.0002099300000000 ] - [ -0.0006714800000000, 0.0001928200000000, 0.0002099300000000 ] - [ -0.0636770300000000, 0.0000000000000000, -0.0953516600000000 ] - [ -0.0006296600000000, 0.0009706800000000, -0.0027378600000000 ] - [ -0.0006296600000000, -0.0009706800000000, -0.0027378600000000 ] - [ 0.0342592500000000, 0.0000000000000000, -0.2469658400000000 ] - [ 0.0005703500000000, -0.0033430400000000, -0.0023152000000000 ] - [ 0.0005703500000000, 0.0033430400000000, -0.0023152000000000 ] - [ -0.0004836700000000, 0.0007462900000000, 0.0004700300000000 ] - [ -0.0004836700000000, -0.0007462900000000, 0.0004700300000000 ] - [ 0.0006183400000000, 0.0000000000000000, -0.0002088800000000 ] - [ 0.0003819100000000, 0.0000000000000000, 0.0017641500000000 ] - [ 0.0001181800000000, -0.0002833100000000, 0.0013687100000000 ] - [ 0.0001181800000000, 0.0002833100000000, 0.0013687100000000 ] - [ -0.0008117000000000, 0.0000000000000000, 0.0020019500000000 ] - [ -0.0001518600000000, 0.0004460900000000, 0.0012529900000000 ] - [ -0.0001518600000000, -0.0004460900000000, 0.0012529900000000 ] - [ 0.0004571900000000, -0.0000277800000000, 0.0020495200000000 ] - [ 0.0004571900000000, 0.0000277800000000, 0.0020495200000000 ] - [ 0.0003837600000000, 0.0000000000000000, 0.0010799500000000 ] - [ -0.0013593400000000, -0.0025616500000000, 0.0032292700000000 ] - [ -0.0013593400000000, 0.0025616500000000, 0.0032292700000000 ] - [ -0.0011223100000000, 0.0000000000000000, -0.0002474000000000 ] - [ 0.0647295800000000, 0.0000000000000000, -0.0783351700000000 ] - [ 0.0001396700000000, 0.0010246600000000, -0.0026974800000000 ] - [ 0.0001396700000000, -0.0010246600000000, -0.0026974800000000 ] - [ -0.0023538800000000, 0.0010037900000000, -0.0018905600000000 ] - [ -0.0023538800000000, -0.0010037900000000, -0.0018905600000000 ] - [ 0.0001097300000000, 0.0000000000000000, -0.0009422200000000 ] - [ -0.0025463700000000, 0.0013639200000000, 0.0031380200000000 ] - [ -0.0025463700000000, -0.0013639200000000, 0.0031380200000000 ] - [ -0.0003965800000000, 0.0000000000000000, 0.0009559400000000 ] - [ -0.0019533600000000, 0.0005451900000000, -0.0086993300000000 ] - [ -0.0019533600000000, -0.0005451900000000, -0.0086993300000000 ] - [ 0.0011048000000000, 0.0000000000000000, -0.0028082800000000 ] - [ 0.0010572500000000, 0.0000000000000000, 0.0029769000000000 ] - [ 0.0009359800000000, -0.0002689100000000, 0.0025565400000000 ] - [ 0.0009359800000000, 0.0002689100000000, 0.0025565400000000 ] - [ -0.0001104100000000, 0.0000000000000000, 0.0009122600000000 ] - [ 0.0000194900000000, 0.0003720900000000, 0.0004985400000000 ] - [ 0.0000194900000000, -0.0003720900000000, 0.0004985400000000 ] - [ -0.0009638400000000, 0.0000691100000000, 0.0015888900000000 ] - [ -0.0009638400000000, -0.0000691100000000, 0.0015888900000000 ] - [ 0.0000411100000000, 0.0000000000000000, -0.0000725800000000 ] - [ -0.0023410300000000, 0.0000000000000000, -0.0003100200000000 ] - [ -0.0023206700000000, 0.0023235200000000, -0.0010953400000000 ] - [ -0.0023206700000000, -0.0023235200000000, -0.0010953400000000 ] - [ 0.0000718000000000, 0.0000558500000000, 0.0019413300000000 ] - [ 0.0000718000000000, -0.0000558500000000, 0.0019413300000000 ] - [ -0.0000540200000000, 0.0000000000000000, 0.0002550700000000 ] - [ -0.0015767300000000, 0.0000000000000000, 0.0011030800000000 ] - [ -0.0015562900000000, -0.0000877300000000, 0.0007891000000000 ] - [ -0.0015562900000000, 0.0000877300000000, 0.0007891000000000 ] - [ 0.0047756400000000, 0.0019385100000000, 0.0039723500000000 ] - [ 0.0047756400000000, -0.0019385100000000, 0.0039723500000000 ] - [ 0.0010840900000000, 0.0000000000000000, 0.0007920600000000 ]- atom: 61 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0008357700000000, -0.0001725900000000, 0.0021472900000000 ] - [ 0.0008357700000000, 0.0001725900000000, 0.0021472900000000 ] - [ -0.0001612400000000, 0.0000000000000000, 0.0003144800000000 ] - [ 0.0015273200000000, 0.0000000000000000, -0.0015544400000000 ] - [ -0.0004542700000000, 0.0011363400000000, 0.0002715400000000 ] - [ -0.0004542700000000, -0.0011363400000000, 0.0002715400000000 ] - [ -0.0003873600000000, -0.0002385800000000, -0.0003580600000000 ] - [ -0.0003873600000000, 0.0002385800000000, -0.0003580600000000 ] - [ -0.0000838000000000, 0.0000000000000000, -0.0001769200000000 ] - [ 0.0001531600000000, 0.0000000000000000, -0.0001722300000000 ] - [ 0.0001668100000000, 0.0000314600000000, -0.0001552300000000 ] - [ 0.0001668100000000, -0.0000314600000000, -0.0001552300000000 ] - [ 0.0126546700000000, -0.0083320600000000, -0.0060045700000000 ] - [ 0.0126546700000000, 0.0083320600000000, -0.0060045700000000 ] - [ 0.0014835700000000, 0.0000000000000000, -0.0000824800000000 ] - [ 0.0006135500000000, -0.0000849900000000, -0.0003335600000000 ] - [ 0.0006135500000000, 0.0000849900000000, -0.0003335600000000 ] - [ 0.0006471800000000, 0.0000000000000000, -0.0003151400000000 ] - [ 0.0006736600000000, 0.0000000000000000, 0.0004268300000000 ] - [ 0.0005983700000000, 0.0003692600000000, 0.0008872100000000 ] - [ 0.0005983700000000, -0.0003692600000000, 0.0008872100000000 ] - [ 0.0006023300000000, 0.0000000000000000, -0.0006025200000000 ] - [ 0.0005598000000000, 0.0000822200000000, -0.0007060000000000 ] - [ 0.0005598000000000, -0.0000822200000000, -0.0007060000000000 ] - [ -0.0021681900000000, 0.0000000000000000, 0.0038268800000000 ] - [ -0.0001766800000000, 0.0001764600000000, 0.0004224400000000 ] - [ -0.0001766800000000, -0.0001764600000000, 0.0004224400000000 ] - [ -0.0003810100000000, -0.0001252400000000, -0.0011498200000000 ] - [ -0.0003810100000000, 0.0001252400000000, -0.0011498200000000 ] - [ -0.0005827100000000, 0.0000000000000000, -0.0004547800000000 ] - [ -0.0011445100000000, -0.0001239200000000, -0.0003943000000000 ] - [ -0.0011445100000000, 0.0001239200000000, -0.0003943000000000 ] - [ -0.0007431400000000, 0.0000000000000000, 0.0001499000000000 ] - [ -0.0070233400000000, 0.0081010500000000, 0.0010474000000000 ] - [ -0.0070233400000000, -0.0081010500000000, 0.0010474000000000 ] - [ 0.0001427900000000, 0.0000000000000000, -0.0011267200000000 ] - [ 0.0004321800000000, 0.0000000000000000, -0.0029956400000000 ] - [ 0.0001480800000000, -0.0006292300000000, -0.0000364400000000 ] - [ 0.0001480800000000, 0.0006292300000000, -0.0000364400000000 ] - [ -0.0014581100000000, 0.0000000000000000, 0.0011436300000000 ] - [ -0.0001986200000000, 0.0000023500000000, 0.0003124700000000 ] - [ -0.0001986200000000, -0.0000023500000000, 0.0003124700000000 ] - [ 0.1218870600000000, 0.0000000000000000, 0.1125975900000000 ] - [ 0.0019133900000000, 0.0002734000000000, 0.0009377300000000 ] - [ 0.0019133900000000, -0.0002734000000000, 0.0009377300000000 ] - [ 0.0002077300000000, 0.0000229200000000, 0.0005313000000000 ] - [ 0.0002077300000000, -0.0000229200000000, 0.0005313000000000 ] - [ -0.0001336500000000, 0.0000000000000000, 0.0001997000000000 ] - [ -0.0043861900000000, 0.0000000000000000, -0.0013322600000000 ] - [ -0.0019328100000000, 0.0005132600000000, 0.0004397000000000 ] - [ -0.0019328100000000, -0.0005132600000000, 0.0004397000000000 ] - [ 0.0003946700000000, 0.0005242500000000, -0.0043340300000000 ] - [ 0.0003946700000000, -0.0005242500000000, -0.0043340300000000 ] - [ -0.0001254000000000, 0.0000000000000000, -0.0006456800000000 ] - [ 0.0004985100000000, 0.0000000000000000, -0.0006525600000000 ] - [ 0.0004426900000000, 0.0000023100000000, -0.0006244700000000 ] - [ 0.0004426900000000, -0.0000023100000000, -0.0006244700000000 ] - [ 0.0003767500000000, 0.0000141200000000, 0.0002002900000000 ] - [ 0.0003767500000000, -0.0000141200000000, 0.0002002900000000 ] - [ 0.0003772300000000, 0.0000000000000000, 0.0003474000000000 ] - [ -0.1826583000000000, 0.0000000000000000, -0.1413178800000000 ] - [ -0.0020183000000000, -0.0013289000000000, -0.0009334000000000 ] - [ -0.0020183000000000, 0.0013289000000000, -0.0009334000000000 ] - [ 0.0007288800000000, -0.0001760500000000, 0.0001612300000000 ] - [ 0.0007288800000000, 0.0001760500000000, 0.0001612300000000 ] - [ 0.0007247200000000, 0.0000000000000000, 0.0000578800000000 ] - [ -0.0133929100000000, 0.0000000000000000, 0.0028273700000000 ] - [ -0.0004178500000000, -0.0001452700000000, 0.0000331000000000 ] - [ -0.0004178500000000, 0.0001452700000000, 0.0000331000000000 ] - [ -0.0005627300000000, 0.0001658000000000, 0.0002431900000000 ] - [ -0.0005627300000000, -0.0001658000000000, 0.0002431900000000 ] - [ -0.0006271100000000, 0.0000000000000000, 0.0000675000000000 ] - [ 0.0001062600000000, 0.0000000000000000, 0.0001250600000000 ] - [ 0.0001363000000000, -0.0000460100000000, 0.0001185000000000 ] - [ 0.0001363000000000, 0.0000460100000000, 0.0001185000000000 ] - [ -0.0006967000000000, 0.0000328600000000, 0.0005720500000000 ] - [ -0.0006967000000000, -0.0000328600000000, 0.0005720500000000 ] - [ -0.0006983500000000, 0.0000000000000000, 0.0007747200000000 ] - [ -0.0006406800000000, 0.0001547600000000, -0.0020404700000000 ] - [ -0.0006406800000000, -0.0001547600000000, -0.0020404700000000 ] - [ -0.0005790000000000, 0.0000000000000000, -0.0015742600000000 ] - [ -0.0021548600000000, 0.0000000000000000, 0.0004135000000000 ] - [ -0.0004876300000000, 0.0004090600000000, 0.0005015300000000 ] - [ -0.0004876300000000, -0.0004090600000000, 0.0005015300000000 ] - [ 0.0066410000000000, 0.0000000000000000, -0.0011147900000000 ] - [ 0.0013089200000000, -0.0005124900000000, -0.0005351900000000 ] - [ 0.0013089200000000, 0.0005124900000000, -0.0005351900000000 ] - [ 0.0012812500000000, 0.0000000000000000, 0.0009844500000000 ] - [ 0.0004688300000000, -0.0003659500000000, -0.0000014500000000 ] - [ 0.0004688300000000, 0.0003659500000000, -0.0000014500000000 ] - [ -0.0010752600000000, 0.0000818600000000, 0.0006783500000000 ] - [ -0.0010752600000000, -0.0000818600000000, 0.0006783500000000 ] - [ 0.0003973500000000, 0.0000000000000000, 0.0003029500000000 ] - [ 0.0001964600000000, 0.0000000000000000, 0.0005760300000000 ] - [ 0.0002583000000000, -0.0001227900000000, 0.0005721400000000 ] - [ 0.0002583000000000, 0.0001227900000000, 0.0005721400000000 ] - [ 0.0002086800000000, 0.0000000000000000, -0.0005132800000000 ] - [ -0.0002782700000000, 0.0000880900000000, 0.0000616200000000 ] - [ -0.0002782700000000, -0.0000880900000000, 0.0000616200000000 ] - [ 0.0004022100000000, 0.0000698800000000, 0.0005110700000000 ] - [ 0.0004022100000000, -0.0000698800000000, 0.0005110700000000 ] - [ 0.0004769400000000, 0.0000000000000000, 0.0002575600000000 ] - [ 0.0014519000000000, 0.0007597900000000, 0.0005122800000000 ] - [ 0.0014519000000000, -0.0007597900000000, 0.0005122800000000 ] - [ -0.0000540500000000, 0.0000000000000000, -0.0002222700000000 ] - [ 0.0030952000000000, 0.0000000000000000, -0.0013514100000000 ] - [ 0.0016109300000000, 0.0016737400000000, -0.0017566300000000 ] - [ 0.0016109300000000, -0.0016737400000000, -0.0017566300000000 ] - [ -0.0015865500000000, 0.0047292700000000, 0.0054109200000000 ] - [ -0.0015865500000000, -0.0047292700000000, 0.0054109200000000 ] - [ 0.0000865200000000, 0.0000000000000000, -0.0003461800000000 ] - [ 0.0006865800000000, -0.0001171400000000, 0.0023952600000000 ] - [ 0.0006865800000000, 0.0001171400000000, 0.0023952600000000 ] - [ -0.0000573900000000, 0.0000000000000000, 0.0007323100000000 ] - [ -0.0008588600000000, -0.0003331000000000, -0.0027719600000000 ] - [ -0.0008588600000000, 0.0003331000000000, -0.0027719600000000 ] - [ 0.0003521900000000, 0.0000000000000000, -0.0008842300000000 ] - [ 0.0007414600000000, 0.0000000000000000, 0.0018320000000000 ] - [ 0.0007323600000000, -0.0000631000000000, 0.0018155600000000 ] - [ 0.0007323600000000, 0.0000631000000000, 0.0018155600000000 ] - [ 0.0003225500000000, 0.0000000000000000, -0.0003383800000000 ] - [ 0.0005111700000000, 0.0000638900000000, -0.0003411900000000 ] - [ 0.0005111700000000, -0.0000638900000000, -0.0003411900000000 ] - [ -0.0004664200000000, -0.0010283800000000, 0.0016280500000000 ] - [ -0.0004664200000000, 0.0010283800000000, 0.0016280500000000 ] - [ -0.0001110100000000, 0.0000000000000000, 0.0000922500000000 ] - [ 0.0591556600000000, 0.0000000000000000, 0.0303724100000000 ] - [ -0.0015625200000000, 0.0007542200000000, -0.0004352000000000 ] - [ -0.0015625200000000, -0.0007542200000000, -0.0004352000000000 ] - [ -0.0001333600000000, 0.0000171000000000, -0.0004389700000000 ] - [ -0.0001333600000000, -0.0000171000000000, -0.0004389700000000 ] - [ -0.0001145900000000, 0.0000000000000000, -0.0005544200000000 ] - [ -0.0012564300000000, 0.0000000000000000, 0.0000768300000000 ] - [ -0.0012771400000000, -0.0000325500000000, 0.0002236600000000 ] - [ -0.0012771400000000, 0.0000325500000000, 0.0002236600000000 ] - [ 0.0008423400000000, 0.0000873500000000, 0.0004740100000000 ] - [ 0.0008423400000000, -0.0000873500000000, 0.0004740100000000 ] - [ 0.0007549400000000, 0.0000000000000000, 0.0003113500000000 ]- atom: 61 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0012576500000000, 0.0001597500000000, -0.0019025300000000 ] - [ -0.0012576500000000, -0.0001597500000000, -0.0019025300000000 ] - [ -0.0002469000000000, 0.0000000000000000, -0.0000661100000000 ] - [ -0.0023783400000000, 0.0000000000000000, 0.0016885900000000 ] - [ 0.0002214100000000, -0.0011471700000000, 0.0001909000000000 ] - [ 0.0002214100000000, 0.0011471700000000, 0.0001909000000000 ] - [ 0.0006179200000000, 0.0002411700000000, -0.0000988400000000 ] - [ 0.0006179200000000, -0.0002411700000000, -0.0000988400000000 ] - [ 0.0003123600000000, 0.0000000000000000, -0.0002767300000000 ] - [ 0.0002556500000000, 0.0000000000000000, -0.0000699400000000 ] - [ 0.0002396000000000, -0.0000317900000000, -0.0000934600000000 ] - [ 0.0002396000000000, 0.0000317900000000, -0.0000934600000000 ] - [ -0.0125452700000000, 0.0082566200000000, 0.0068115300000000 ] - [ -0.0125452700000000, -0.0082566200000000, 0.0068115300000000 ] - [ -0.0013158900000000, 0.0000000000000000, 0.0009854400000000 ] - [ 0.0004044500000000, 0.0000841100000000, 0.0000980100000000 ] - [ 0.0004044500000000, -0.0000841100000000, 0.0000980100000000 ] - [ 0.0003740600000000, 0.0000000000000000, 0.0000738600000000 ] - [ -0.0005698900000000, 0.0000000000000000, 0.0014043100000000 ] - [ -0.0004985900000000, -0.0003774600000000, 0.0009269900000000 ] - [ -0.0004985900000000, 0.0003774600000000, 0.0009269900000000 ] - [ 0.0004194600000000, 0.0000000000000000, -0.0002795500000000 ] - [ 0.0004628400000000, -0.0000825700000000, -0.0001762200000000 ] - [ 0.0004628400000000, 0.0000825700000000, -0.0001762200000000 ] - [ 0.0031965100000000, 0.0000000000000000, -0.0037659900000000 ] - [ 0.0011894500000000, -0.0001839400000000, -0.0003255400000000 ] - [ 0.0011894500000000, 0.0001839400000000, -0.0003255400000000 ] - [ -0.0006367800000000, 0.0001265200000000, 0.0010458600000000 ] - [ -0.0006367800000000, -0.0001265200000000, 0.0010458600000000 ] - [ -0.0004345400000000, 0.0000000000000000, 0.0003438900000000 ] - [ 0.0001261400000000, 0.0001232400000000, 0.0012567400000000 ] - [ 0.0001261400000000, -0.0001232400000000, 0.0012567400000000 ] - [ -0.0002813000000000, 0.0000000000000000, 0.0007194900000000 ] - [ 0.0069001100000000, -0.0080384700000000, -0.0028596000000000 ] - [ 0.0069001100000000, 0.0080384700000000, -0.0028596000000000 ] - [ -0.0002443700000000, 0.0000000000000000, -0.0007155200000000 ] - [ -0.0013812000000000, 0.0000000000000000, 0.0032712200000000 ] - [ -0.0011618700000000, 0.0006318400000000, 0.0002710700000000 ] - [ -0.0011618700000000, -0.0006318400000000, 0.0002710700000000 ] - [ 0.0012935700000000, 0.0000000000000000, -0.0019961700000000 ] - [ 0.0000390500000000, -0.0000112100000000, -0.0011672400000000 ] - [ 0.0000390500000000, 0.0000112100000000, -0.0011672400000000 ] - [ -0.1199319500000000, 0.0000000000000000, -0.1071637000000000 ] - [ -0.0020221500000000, -0.0002689400000000, -0.0012210400000000 ] - [ -0.0020221500000000, 0.0002689400000000, -0.0012210400000000 ] - [ -0.0012019900000000, -0.0000240100000000, -0.0000091600000000 ] - [ -0.0012019900000000, 0.0000240100000000, -0.0000091600000000 ] - [ -0.0008498900000000, 0.0000000000000000, 0.0003240200000000 ] - [ 0.0046333900000000, 0.0000000000000000, 0.0019589700000000 ] - [ 0.0021551400000000, -0.0005107000000000, 0.0001719800000000 ] - [ 0.0021551400000000, 0.0005107000000000, 0.0001719800000000 ] - [ -0.0006375200000000, -0.0005270700000000, 0.0037680500000000 ] - [ -0.0006375200000000, 0.0005270700000000, 0.0037680500000000 ] - [ -0.0001110500000000, 0.0000000000000000, 0.0000469200000000 ] - [ 0.0004871900000000, 0.0000000000000000, 0.0001272200000000 ] - [ 0.0005420100000000, -0.0000016300000000, 0.0000907700000000 ] - [ 0.0005420100000000, 0.0000016300000000, 0.0000907700000000 ] - [ -0.0002421900000000, -0.0000143900000000, 0.0000950800000000 ] - [ -0.0002421900000000, 0.0000143900000000, 0.0000950800000000 ] - [ -0.0002365000000000, 0.0000000000000000, -0.0000529100000000 ] - [ 0.1791600700000000, 0.0000000000000000, 0.1344094300000000 ] - [ 0.0005192300000000, 0.0013293700000000, -0.0004446900000000 ] - [ 0.0005192300000000, -0.0013293700000000, -0.0004446900000000 ] - [ 0.0018046800000000, 0.0001828900000000, -0.0002035600000000 ] - [ 0.0018046800000000, -0.0001828900000000, -0.0002035600000000 ] - [ 0.0018014000000000, 0.0000000000000000, -0.0000931600000000 ] - [ 0.0134701000000000, 0.0000000000000000, -0.0022510300000000 ] - [ 0.0006145900000000, 0.0001434900000000, 0.0009529600000000 ] - [ 0.0006145900000000, -0.0001434900000000, 0.0009529600000000 ] - [ 0.0000667200000000, -0.0001682900000000, 0.0001379200000000 ] - [ 0.0000667200000000, 0.0001682900000000, 0.0001379200000000 ] - [ 0.0001285700000000, 0.0000000000000000, 0.0003214400000000 ] - [ 0.0003291200000000, 0.0000000000000000, -0.0001439400000000 ] - [ 0.0002960200000000, 0.0000452700000000, -0.0001341100000000 ] - [ 0.0002960200000000, -0.0000452700000000, -0.0001341100000000 ] - [ -0.0003595600000000, -0.0000335500000000, 0.0006180200000000 ] - [ -0.0003595600000000, 0.0000335500000000, 0.0006180200000000 ] - [ -0.0003611700000000, 0.0000000000000000, 0.0004160200000000 ] - [ -0.0004504700000000, -0.0001570700000000, -0.0010655000000000 ] - [ -0.0004504700000000, 0.0001570700000000, -0.0010655000000000 ] - [ -0.0005182100000000, 0.0000000000000000, -0.0015365700000000 ] - [ 0.0004957600000000, 0.0000000000000000, 0.0008244600000000 ] - [ -0.0011833600000000, -0.0004913500000000, 0.0007700500000000 ] - [ -0.0011833600000000, 0.0004913500000000, 0.0007700500000000 ] - [ -0.0063559900000000, 0.0000000000000000, 0.0001125500000000 ] - [ -0.0009676900000000, 0.0005165000000000, -0.0004717900000000 ] - [ -0.0009676900000000, -0.0005165000000000, -0.0004717900000000 ] - [ -0.0018896300000000, 0.0000000000000000, -0.0000094500000000 ] - [ -0.0010705400000000, 0.0003664900000000, 0.0009853500000000 ] - [ -0.0010705400000000, -0.0003664900000000, 0.0009853500000000 ] - [ 0.0021660200000000, -0.0000873200000000, -0.0004053200000000 ] - [ 0.0021660200000000, 0.0000873200000000, -0.0004053200000000 ] - [ 0.0006764200000000, 0.0000000000000000, -0.0000334100000000 ] - [ 0.0004888800000000, 0.0000000000000000, 0.0001912900000000 ] - [ 0.0004305700000000, 0.0001236700000000, 0.0001973200000000 ] - [ 0.0004305700000000, -0.0001236700000000, 0.0001973200000000 ] - [ -0.0011200700000000, 0.0000000000000000, 0.0005487300000000 ] - [ -0.0006276900000000, -0.0000875700000000, -0.0000347400000000 ] - [ -0.0006276900000000, 0.0000875700000000, -0.0000347400000000 ] - [ 0.0005046500000000, -0.0000702100000000, -0.0005296400000000 ] - [ 0.0005046500000000, 0.0000702100000000, -0.0005296400000000 ] - [ 0.0004291300000000, 0.0000000000000000, -0.0002747800000000 ] - [ -0.0021329800000000, -0.0007624500000000, -0.0012664900000000 ] - [ -0.0021329800000000, 0.0007624500000000, -0.0012664900000000 ] - [ -0.0006324700000000, 0.0000000000000000, -0.0005397000000000 ] - [ -0.0041716000000000, 0.0000000000000000, 0.0010712600000000 ] - [ -0.0026639500000000, -0.0016555200000000, 0.0014688500000000 ] - [ -0.0026639500000000, 0.0016555200000000, 0.0014688500000000 ] - [ 0.0021664400000000, -0.0047989100000000, -0.0064736300000000 ] - [ 0.0021664400000000, 0.0047989100000000, -0.0064736300000000 ] - [ 0.0005157500000000, 0.0000000000000000, -0.0006506000000000 ] - [ -0.0010309100000000, 0.0001188600000000, -0.0014037500000000 ] - [ -0.0010309100000000, -0.0001188600000000, -0.0014037500000000 ] - [ -0.0002809100000000, 0.0000000000000000, 0.0002765800000000 ] - [ 0.0024759900000000, 0.0003261000000000, 0.0015259200000000 ] - [ 0.0024759900000000, -0.0003261000000000, 0.0015259200000000 ] - [ 0.0012708300000000, 0.0000000000000000, -0.0003465000000000 ] - [ 0.0003563600000000, 0.0000000000000000, 0.0012792000000000 ] - [ 0.0003687600000000, 0.0000638600000000, 0.0013019500000000 ] - [ 0.0003687600000000, -0.0000638600000000, 0.0013019500000000 ] - [ 0.0007161300000000, 0.0000000000000000, -0.0008554600000000 ] - [ 0.0005449700000000, -0.0000629300000000, -0.0008426300000000 ] - [ 0.0005449700000000, 0.0000629300000000, -0.0008426300000000 ] - [ 0.0000168100000000, 0.0010258800000000, -0.0015907000000000 ] - [ 0.0000168100000000, -0.0010258800000000, -0.0015907000000000 ] - [ -0.0003236300000000, 0.0000000000000000, -0.0000696400000000 ] - [ -0.0576551600000000, 0.0000000000000000, -0.0300786000000000 ] - [ 0.0020317600000000, -0.0007480800000000, 0.0000535900000000 ] - [ 0.0020317600000000, 0.0007480800000000, 0.0000535900000000 ] - [ -0.0000679200000000, -0.0000162800000000, -0.0005519000000000 ] - [ -0.0000679200000000, 0.0000162800000000, -0.0005519000000000 ] - [ -0.0000885000000000, 0.0000000000000000, -0.0004331800000000 ] - [ -0.0012725800000000, 0.0000000000000000, -0.0000482700000000 ] - [ -0.0012534700000000, 0.0000322500000000, -0.0001841900000000 ] - [ -0.0012534700000000, -0.0000322500000000, -0.0001841900000000 ] - [ 0.0006562800000000, -0.0000897200000000, 0.0008765400000000 ] - [ 0.0006562800000000, 0.0000897200000000, 0.0008765400000000 ] - [ 0.0007429100000000, 0.0000000000000000, 0.0010377500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001131800000000, -0.0003772800000000, 0.0029107500000000 ] - [ -0.0002997400000000, -0.0003454700000000, -0.0026854700000000 ] - [ -0.0002028100000000, -0.0005170700000000, 0.0001196500000000 ] - [ -0.0001231000000000, 0.0059387100000000, 0.0002158300000000 ] - [ 0.0004998400000000, -0.0012320900000000, 0.0002949300000000 ] - [ -0.0007158100000000, -0.0012291500000000, 0.0001712300000000 ] - [ -0.0003487500000000, 0.0001790000000000, -0.0002893500000000 ] - [ 0.0005780100000000, 0.0001801300000000, -0.0001807500000000 ] - [ 0.0001146700000000, -0.0003621000000000, -0.0002319000000000 ] - [ 0.0002010100000000, 0.0001125100000000, -0.0001246600000000 ] - [ 0.0002281200000000, -0.0000562000000000, -0.0001011900000000 ] - [ 0.0001808900000000, -0.0000570400000000, -0.0001387200000000 ] - [ 0.0059169000000000, 0.0009415700000000, -0.0049194600000000 ] - [ -0.0056411100000000, 0.0012028800000000, 0.0055872000000000 ] - [ 0.0000997800000000, -0.0103552700000000, 0.0004299000000000 ] - [ 0.0005608400000000, 0.0003033700000000, -0.0002076700000000 ] - [ 0.0004530200000000, 0.0003103300000000, -0.0000110400000000 ] - [ 0.0005094400000000, -0.0006218600000000, -0.0001124600000000 ] - [ 0.0000465100000000, 0.0036740100000000, 0.0009333100000000 ] - [ 0.0000644800000000, -0.0014634100000000, 0.0056939100000000 ] - [ 0.0000459100000000, -0.0014616200000000, -0.0038066100000000 ] - [ 0.0005128500000000, 0.0003599300000000, -0.0004295400000000 ] - [ 0.0005098900000000, -0.0001779400000000, -0.0001006800000000 ] - [ 0.0005150600000000, -0.0001816500000000, -0.0007614800000000 ] - [ 0.0005028200000000, 0.0007105500000000, 0.0000566300000000 ] - [ 0.0009771100000000, -0.0003042600000000, -0.0004877300000000 ] - [ 0.0000428800000000, -0.0003151600000000, 0.0005869500000000 ] - [ -0.0006741700000000, 0.0004840400000000, -0.0016110800000000 ] - [ -0.0003347100000000, 0.0004877700000000, 0.0015262600000000 ] - [ -0.0005064000000000, -0.0009744200000000, -0.0000459000000000 ] - [ -0.0005823800000000, 0.0001047400000000, 0.0003088000000000 ] - [ -0.0004291200000000, 0.0001147500000000, 0.0005787700000000 ] - [ -0.0005123200000000, -0.0002375400000000, 0.0004400100000000 ] - [ 0.0000788700000000, 0.0011778400000000, 0.0008659300000000 ] - [ -0.0001423900000000, 0.0012602600000000, -0.0027479500000000 ] - [ -0.0000618800000000, -0.0010465100000000, -0.0009309200000000 ] - [ -0.0004735000000000, -0.0006824300000000, 0.0001746500000000 ] - [ -0.0009767600000000, -0.0000855600000000, -0.0005067300000000 ] - [ -0.0000530200000000, -0.0001085600000000, 0.0007400900000000 ] - [ -0.0000994900000000, 0.0023231100000000, -0.0004486100000000 ] - [ -0.0032260500000000, -0.0008981400000000, -0.0011052600000000 ] - [ 0.0030043100000000, -0.0009090200000000, 0.0002147300000000 ] - [ -0.0004061900000000, 0.0515062200000000, -0.0007345200000000 ] - [ -0.0019537600000000, -0.0006600100000000, -0.0020096000000000 ] - [ 0.0017943700000000, -0.0006476900000000, 0.0016776500000000 ] - [ -0.0001835600000000, 0.0000013600000000, 0.0005430700000000 ] - [ -0.0008123700000000, 0.0000012500000000, -0.0000029000000000 ] - [ -0.0004934500000000, 0.0000153500000000, 0.0002661900000000 ] - [ 0.0001136200000000, -0.0000951500000000, 0.0002919700000000 ] - [ 0.0008284600000000, -0.0001360900000000, -0.0001276700000000 ] - [ -0.0005887900000000, -0.0001328600000000, 0.0007190800000000 ] - [ -0.0019045200000000, 0.0005491600000000, -0.0027335800000000 ] - [ 0.0016993900000000, 0.0005493300000000, 0.0021250500000000 ] - [ -0.0001079200000000, -0.0002092700000000, -0.0002979400000000 ] - [ 0.0004915400000000, -0.0000886700000000, -0.0002519900000000 ] - [ 0.0005388900000000, 0.0000463700000000, -0.0001935400000000 ] - [ 0.0004437000000000, 0.0000461900000000, -0.0003253700000000 ] - [ 0.0003262600000000, -0.0001258800000000, -0.0000057600000000 ] - [ -0.0002137500000000, -0.0001259700000000, 0.0003024100000000 ] - [ 0.0000553800000000, 0.0003311700000000, 0.0001479600000000 ] - [ -0.0003299500000000, -0.0394308500000000, 0.0005331400000000 ] - [ 0.0005774700000000, 0.0032219000000000, 0.0001534900000000 ] - [ -0.0020603900000000, 0.0031988800000000, -0.0014982700000000 ] - [ 0.0010809400000000, -0.0002130300000000, 0.0000985200000000 ] - [ 0.0014578500000000, -0.0002260500000000, -0.0001503800000000 ] - [ 0.0012684000000000, 0.0001247000000000, -0.0000197300000000 ] - [ 0.0000567000000000, -0.0177511800000000, 0.0002694700000000 ] - [ 0.0004092700000000, 0.0004029200000000, 0.0016044100000000 ] - [ -0.0002064800000000, 0.0004045200000000, -0.0005944800000000 ] - [ -0.0002215200000000, -0.0008597200000000, 0.0004235300000000 ] - [ -0.0002571300000000, -0.0008617900000000, -0.0000503500000000 ] - [ -0.0002379800000000, 0.0024629000000000, 0.0001832000000000 ] - [ 0.0002180900000000, -0.0001705300000000, -0.0000151400000000 ] - [ 0.0007522300000000, 0.0001136400000000, -0.0007120100000000 ] - [ -0.0003136600000000, 0.0001173100000000, 0.0006786800000000 ] - [ -0.0005419700000000, -0.0000692600000000, 0.0004592400000000 ] - [ -0.0005112400000000, -0.0000690700000000, 0.0007190100000000 ] - [ -0.0005294300000000, 0.0001529800000000, 0.0005920700000000 ] - [ -0.0004252400000000, -0.0000784600000000, -0.0019733400000000 ] - [ -0.0006694000000000, -0.0000868400000000, -0.0011445800000000 ] - [ -0.0005507200000000, 0.0002323300000000, -0.0015580100000000 ] - [ -0.0008074200000000, -0.0095537300000000, 0.0006226400000000 ] - [ 0.0042758800000000, 0.0153780200000000, -0.0063535200000000 ] - [ -0.0058517800000000, 0.0152577200000000, 0.0075224700000000 ] - [ 0.0001789900000000, -0.0010152700000000, -0.0005016400000000 ] - [ -0.0003600000000000, 0.0003138000000000, -0.0001248800000000 ] - [ 0.0006949400000000, 0.0003135000000000, -0.0008773500000000 ] - [ -0.0002965200000000, -0.0004107300000000, 0.0005047800000000 ] - [ 0.0001369000000000, 0.0002509200000000, 0.0009511800000000 ] - [ -0.0007292400000000, 0.0002492300000000, 0.0000569500000000 ] - [ 0.0016154300000000, -0.0011173200000000, 0.0053990600000000 ] - [ -0.0005851000000000, -0.0011250000000000, -0.0051845400000000 ] - [ 0.0005259700000000, 0.0015196500000000, 0.0001295800000000 ] - [ 0.0003415800000000, -0.0008435900000000, 0.0003762400000000 ] - [ -0.0003655200000000, 0.0004077700000000, -0.0001605300000000 ] - [ 0.0010431100000000, 0.0004082400000000, 0.0009138000000000 ] - [ -0.0004539300000000, -0.0000812200000000, 0.0000063500000000 ] - [ -0.0006404100000000, 0.0000503000000000, 0.0000577400000000 ] - [ -0.0002698300000000, 0.0000562400000000, -0.0000407400000000 ] - [ 0.0002159300000000, -0.0001411700000000, 0.0003319300000000 ] - [ 0.0006879800000000, -0.0001439700000000, -0.0003670500000000 ] - [ 0.0004536700000000, 0.0002649100000000, -0.0000147500000000 ] - [ -0.0002625500000000, -0.0000642400000000, -0.0002284900000000 ] - [ -0.0004299800000000, -0.0000673900000000, -0.0005435800000000 ] - [ -0.0003393400000000, 0.0003125000000000, -0.0003818600000000 ] - [ -0.0005337100000000, -0.0004910300000000, -0.0001279400000000 ] - [ -0.0013152200000000, -0.0002262500000000, 0.0008016200000000 ] - [ 0.0002351700000000, -0.0002088300000000, -0.0010503700000000 ] - [ 0.0018274500000000, 0.0002030700000000, 0.0029748500000000 ] - [ -0.0012407300000000, 0.0002030300000000, -0.0039850800000000 ] - [ 0.0002935600000000, 0.0007188200000000, -0.0005026700000000 ] - [ 0.0015430700000000, -0.0001712600000000, 0.0023737600000000 ] - [ -0.0018996800000000, -0.0001717200000000, -0.0013761700000000 ] - [ -0.0001756100000000, 0.0001888900000000, 0.0005000600000000 ] - [ -0.0020737300000000, -0.0011834900000000, -0.0022106100000000 ] - [ 0.0037217700000000, -0.0011975000000000, 0.0010323000000000 ] - [ 0.0008250800000000, 0.0012083300000000, -0.0006031000000000 ] - [ 0.0005454300000000, -0.0004109300000000, 0.0015485900000000 ] - [ 0.0004763700000000, 0.0002125900000000, 0.0015361100000000 ] - [ 0.0006192400000000, 0.0002129000000000, 0.0015717800000000 ] - [ 0.0005177600000000, -0.0000960300000000, -0.0006062700000000 ] - [ 0.0006671600000000, 0.0000127800000000, -0.0005932600000000 ] - [ 0.0003957800000000, 0.0000156900000000, -0.0006026500000000 ] - [ 0.0000267800000000, -0.0003019100000000, 0.0001347000000000 ] - [ -0.0004712100000000, -0.0003305000000000, -0.0001222900000000 ] - [ -0.0002190200000000, 0.0003032700000000, 0.0000138900000000 ] - [ 0.0000450200000000, -0.0164254900000000, -0.0002613200000000 ] - [ 0.0018977600000000, 0.0002597900000000, 0.0002074200000000 ] - [ -0.0013786400000000, 0.0002678700000000, -0.0005781900000000 ] - [ -0.0001827500000000, 0.0000185900000000, -0.0003385000000000 ] - [ -0.0000137700000000, 0.0000172800000000, -0.0006599400000000 ] - [ -0.0000975700000000, -0.0000957700000000, -0.0004984400000000 ] - [ -0.0012618300000000, -0.0001398400000000, 0.0000064600000000 ] - [ -0.0013414700000000, 0.0000563800000000, 0.0000522100000000 ] - [ -0.0011869600000000, 0.0000575500000000, -0.0000201200000000 ] - [ 0.0008407700000000, -0.0002704500000000, 0.0006655800000000 ] - [ 0.0006633500000000, -0.0002732800000000, 0.0006911300000000 ] - [ 0.0007519900000000, 0.0005123800000000, 0.0006793200000000 ]- atom: 61 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0014613300000000, 0.0050362000000000, -0.0017169100000000 ] - [ 0.0014613300000000, -0.0050362000000000, -0.0017169100000000 ] - [ -0.0001237000000000, 0.0000000000000000, 0.0004967200000000 ] - [ 0.0006411000000000, 0.0000000000000000, 0.0062917700000000 ] - [ -0.0006734500000000, 0.0002259200000000, 0.0011541900000000 ] - [ -0.0006734500000000, -0.0002259200000000, 0.0011541900000000 ] - [ -0.0002971100000000, 0.0000049100000000, -0.0001449700000000 ] - [ -0.0002971100000000, -0.0000049100000000, -0.0001449700000000 ] - [ -0.0000203000000000, 0.0000000000000000, -0.0001247000000000 ] - [ 0.0002192400000000, 0.0000000000000000, -0.0007803800000000 ] - [ 0.0002366800000000, -0.0000943500000000, -0.0004689100000000 ] - [ 0.0002366800000000, 0.0000943500000000, -0.0004689100000000 ] - [ 0.0026395900000000, -0.0029084400000000, 0.0040044800000000 ] - [ 0.0026395900000000, 0.0029084400000000, 0.0040044800000000 ] - [ -0.0021742600000000, 0.0000000000000000, 0.0047580100000000 ] - [ 0.0012683000000000, 0.0008224700000000, -0.0027331200000000 ] - [ 0.0012683000000000, -0.0008224700000000, -0.0027331200000000 ] - [ 0.0006269600000000, 0.0000000000000000, -0.0017445800000000 ] - [ 0.0003365100000000, 0.0000000000000000, -0.0045353800000000 ] - [ -0.0006674300000000, -0.0000704700000000, -0.0047052100000000 ] - [ -0.0006674300000000, 0.0000704700000000, -0.0047052100000000 ] - [ 0.0007143200000000, 0.0000000000000000, -0.0026857100000000 ] - [ 0.0006399500000000, -0.0004266500000000, -0.0022051900000000 ] - [ 0.0006399500000000, 0.0004266500000000, -0.0022051900000000 ] - [ 0.0031371100000000, 0.0000000000000000, 0.0001230100000000 ] - [ 0.0007680200000000, -0.0012716800000000, 0.0010360700000000 ] - [ 0.0007680200000000, 0.0012716800000000, 0.0010360700000000 ] - [ -0.0010679000000000, 0.0002644200000000, -0.0029517000000000 ] - [ -0.0010679000000000, -0.0002644200000000, -0.0029517000000000 ] - [ -0.0007855000000000, 0.0000000000000000, -0.0019352700000000 ] - [ -0.0023375500000000, 0.0011852900000000, -0.0006645900000000 ] - [ -0.0023375500000000, -0.0011852900000000, -0.0006645900000000 ] - [ -0.0008269900000000, 0.0000000000000000, -0.0002748400000000 ] - [ -0.0043764800000000, 0.0046915200000000, 0.0031555100000000 ] - [ -0.0043764800000000, -0.0046915200000000, 0.0031555100000000 ] - [ 0.0002641400000000, 0.0000000000000000, 0.0015070900000000 ] - [ -0.0126970300000000, 0.0000000000000000, -0.0145346000000000 ] - [ -0.0004250900000000, -0.0025250400000000, -0.0006441900000000 ] - [ -0.0004250900000000, 0.0025250400000000, -0.0006441900000000 ] - [ 0.0028643900000000, 0.0000000000000000, 0.0014855400000000 ] - [ 0.0033852300000000, -0.0003712700000000, 0.0014152700000000 ] - [ 0.0033852300000000, 0.0003712700000000, 0.0014152700000000 ] - [ 0.0632184200000000, 0.0000000000000000, 0.1526497800000000 ] - [ 0.0015276100000000, -0.0006656800000000, 0.0038040700000000 ] - [ 0.0015276100000000, 0.0006656800000000, 0.0038040700000000 ] - [ 0.0013615100000000, 0.0000496900000000, -0.0016272500000000 ] - [ 0.0013615100000000, -0.0000496900000000, -0.0016272500000000 ] - [ 0.0001026900000000, 0.0000000000000000, -0.0003608100000000 ] - [ 0.0005015000000000, 0.0000000000000000, 0.0028955000000000 ] - [ -0.0003758200000000, 0.0002712400000000, 0.0019782900000000 ] - [ -0.0003758200000000, -0.0002712400000000, 0.0019782900000000 ] - [ -0.0017873200000000, 0.0002707700000000, -0.0030159600000000 ] - [ -0.0017873200000000, -0.0002707700000000, -0.0030159600000000 ] - [ -0.0013647400000000, 0.0000000000000000, -0.0006392000000000 ] - [ 0.0003805900000000, 0.0000000000000000, -0.0036912200000000 ] - [ 0.0004500100000000, -0.0000540100000000, -0.0017459700000000 ] - [ 0.0004500100000000, 0.0000540100000000, -0.0017459700000000 ] - [ 0.0016732100000000, 0.0000260900000000, -0.0009405800000000 ] - [ 0.0016732100000000, -0.0000260900000000, -0.0009405800000000 ] - [ 0.0021463000000000, 0.0000000000000000, -0.0005309500000000 ] - [ -0.0922667100000000, 0.0000000000000000, -0.2415890200000000 ] - [ -0.0006340500000000, -0.0004918000000000, -0.0057062300000000 ] - [ -0.0006340500000000, 0.0004918000000000, -0.0057062300000000 ] - [ 0.0000272500000000, -0.0018282500000000, 0.0024296200000000 ] - [ 0.0000272500000000, 0.0018282500000000, 0.0024296200000000 ] - [ 0.0004840700000000, 0.0000000000000000, 0.0004774300000000 ] - [ 0.0161555700000000, 0.0000000000000000, 0.0785821500000000 ] - [ 0.0004148100000000, 0.0013745900000000, -0.0015781800000000 ] - [ 0.0004148100000000, -0.0013745900000000, -0.0015781800000000 ] - [ -0.0015272900000000, 0.0000902400000000, 0.0010064700000000 ] - [ -0.0015272900000000, -0.0000902400000000, 0.0010064700000000 ] - [ -0.0018782800000000, 0.0000000000000000, 0.0017625600000000 ] - [ -0.0004986900000000, 0.0000000000000000, 0.0016425900000000 ] - [ -0.0004113700000000, 0.0004613700000000, 0.0016214000000000 ] - [ -0.0004113700000000, -0.0004613700000000, 0.0016214000000000 ] - [ -0.0015113500000000, 0.0000729000000000, 0.0023452500000000 ] - [ -0.0015113500000000, -0.0000729000000000, 0.0023452500000000 ] - [ -0.0007118000000000, 0.0000000000000000, 0.0013069000000000 ] - [ -0.0019495700000000, -0.0009583600000000, -0.0007846800000000 ] - [ -0.0019495700000000, 0.0009583600000000, -0.0007846800000000 ] - [ -0.0005989600000000, 0.0000000000000000, -0.0013646900000000 ] - [ -0.0036862400000000, 0.0000000000000000, 0.0056360200000000 ] - [ -0.0058034200000000, -0.0108872400000000, 0.0077053400000000 ] - [ -0.0058034200000000, 0.0108872400000000, 0.0077053400000000 ] - [ -0.0013628600000000, 0.0000000000000000, -0.0028904700000000 ] - [ 0.0002317300000000, 0.0000494900000000, -0.0018012200000000 ] - [ 0.0002317300000000, -0.0000494900000000, -0.0018012200000000 ] - [ -0.0008852000000000, 0.0000000000000000, -0.0013237200000000 ] - [ -0.0008211700000000, -0.0001706400000000, -0.0009393000000000 ] - [ -0.0008211700000000, 0.0001706400000000, -0.0009393000000000 ] - [ 0.0013998600000000, -0.0005167300000000, 0.0030978500000000 ] - [ 0.0013998600000000, 0.0005167300000000, 0.0030978500000000 ] - [ 0.0016151500000000, 0.0000000000000000, 0.0005300600000000 ] - [ 0.0010368600000000, 0.0000000000000000, 0.0021531800000000 ] - [ 0.0011143600000000, 0.0000322600000000, 0.0018349800000000 ] - [ 0.0011143600000000, -0.0000322600000000, 0.0018349800000000 ] - [ -0.0000635800000000, 0.0000000000000000, 0.0008560600000000 ] - [ 0.0000968000000000, 0.0006004000000000, 0.0005639100000000 ] - [ 0.0000968000000000, -0.0006004000000000, 0.0005639100000000 ] - [ 0.0005461200000000, -0.0003198700000000, 0.0017301000000000 ] - [ 0.0005461200000000, 0.0003198700000000, 0.0017301000000000 ] - [ 0.0002120200000000, 0.0000000000000000, 0.0010599400000000 ] - [ -0.0002741900000000, -0.0004692500000000, -0.0002311700000000 ] - [ -0.0002741900000000, 0.0004692500000000, -0.0002311700000000 ] - [ -0.0010302600000000, 0.0000000000000000, -0.0005359400000000 ] - [ -0.0003422300000000, 0.0000000000000000, -0.0020793300000000 ] - [ 0.0005141700000000, 0.0011523200000000, -0.0021833500000000 ] - [ 0.0005141700000000, -0.0011523200000000, -0.0021833500000000 ] - [ 0.0020691400000000, 0.0017016600000000, 0.0019861500000000 ] - [ 0.0020691400000000, -0.0017016600000000, 0.0019861500000000 ] - [ 0.0008894500000000, 0.0000000000000000, -0.0003533400000000 ] - [ 0.0013394000000000, -0.0000540200000000, 0.0027430500000000 ] - [ 0.0013394000000000, 0.0000540200000000, 0.0027430500000000 ] - [ 0.0005849500000000, 0.0000000000000000, 0.0015081800000000 ] - [ -0.0019515700000000, -0.0015274800000000, -0.0042001800000000 ] - [ -0.0019515700000000, 0.0015274800000000, -0.0042001800000000 ] - [ -0.0003832200000000, 0.0000000000000000, -0.0025652700000000 ] - [ 0.0017160100000000, 0.0000000000000000, 0.0038872700000000 ] - [ 0.0011423200000000, -0.0000179300000000, 0.0026415800000000 ] - [ 0.0011423200000000, 0.0000179300000000, 0.0026415800000000 ] - [ 0.0042086000000000, 0.0000000000000000, 0.0027034900000000 ] - [ 0.0003119200000000, 0.0002923900000000, 0.0004024700000000 ] - [ 0.0003119200000000, -0.0002923900000000, 0.0004024700000000 ] - [ 0.0019890300000000, -0.0027959900000000, -0.0000718300000000 ] - [ 0.0019890300000000, 0.0027959900000000, -0.0000718300000000 ] - [ 0.0005420700000000, 0.0000000000000000, -0.0006662600000000 ] - [ 0.0262327000000000, 0.0000000000000000, -0.0059252900000000 ] - [ -0.0007259000000000, 0.0006397100000000, -0.0013414700000000 ] - [ -0.0007259000000000, -0.0006397100000000, -0.0013414700000000 ] - [ -0.0004337900000000, -0.0001813000000000, 0.0010158000000000 ] - [ -0.0004337900000000, 0.0001813000000000, 0.0010158000000000 ] - [ -0.0006710100000000, 0.0000000000000000, 0.0007237700000000 ] - [ -0.0021184000000000, 0.0000000000000000, 0.0034292800000000 ] - [ -0.0014580500000000, 0.0001727100000000, 0.0008261500000000 ] - [ -0.0014580500000000, -0.0001727100000000, 0.0008261500000000 ] - [ 0.0005316900000000, -0.0000329900000000, 0.0009572400000000 ] - [ 0.0005316900000000, 0.0000329900000000, 0.0009572400000000 ] - [ 0.0003988300000000, 0.0000000000000000, 0.0005585900000000 ]- atom: 61 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0018603600000000, -0.0050362000000000, 0.0019859100000000 ] - [ -0.0018603600000000, 0.0050362000000000, 0.0019859100000000 ] - [ -0.0002834000000000, 0.0000000000000000, -0.0002510300000000 ] - [ -0.0009015000000000, 0.0000000000000000, -0.0058911300000000 ] - [ 0.0004467500000000, -0.0002198700000000, -0.0006999900000000 ] - [ 0.0004467500000000, 0.0002198700000000, -0.0006999900000000 ] - [ 0.0005258800000000, -0.0000055900000000, -0.0003200400000000 ] - [ 0.0005258800000000, 0.0000055900000000, -0.0003200400000000 ] - [ 0.0002499100000000, 0.0000000000000000, -0.0003458900000000 ] - [ 0.0001903800000000, 0.0000000000000000, 0.0005391600000000 ] - [ 0.0001716000000000, 0.0000938500000000, 0.0002263700000000 ] - [ 0.0001716000000000, -0.0000938500000000, 0.0002263700000000 ] - [ -0.0023610000000000, 0.0026777200000000, -0.0033526200000000 ] - [ -0.0023610000000000, -0.0026777200000000, -0.0033526200000000 ] - [ 0.0023744600000000, 0.0000000000000000, -0.0039084700000000 ] - [ -0.0002438600000000, -0.0008163600000000, 0.0024950500000000 ] - [ -0.0002438600000000, 0.0008163600000000, 0.0024950500000000 ] - [ 0.0003919800000000, 0.0000000000000000, 0.0015123800000000 ] - [ -0.0002065400000000, 0.0000000000000000, 0.0064024700000000 ] - [ 0.0007880200000000, 0.0000732000000000, 0.0065615100000000 ] - [ 0.0007880200000000, -0.0000732000000000, 0.0065615100000000 ] - [ 0.0003138500000000, 0.0000000000000000, 0.0018192000000000 ] - [ 0.0003875200000000, 0.0004252600000000, 0.0013360800000000 ] - [ 0.0003875200000000, -0.0004252600000000, 0.0013360800000000 ] - [ -0.0021302700000000, 0.0000000000000000, 0.0000168000000000 ] - [ 0.0002481400000000, 0.0012783800000000, -0.0009190500000000 ] - [ 0.0002481400000000, -0.0012783800000000, -0.0009190500000000 ] - [ 0.0000506600000000, -0.0002605500000000, 0.0028436500000000 ] - [ 0.0000506600000000, 0.0002605500000000, 0.0028436500000000 ] - [ -0.0002294100000000, 0.0000000000000000, 0.0018294300000000 ] - [ 0.0013010600000000, -0.0011798200000000, 0.0015555800000000 ] - [ 0.0013010600000000, 0.0011798200000000, 0.0015555800000000 ] - [ -0.0002002600000000, 0.0000000000000000, 0.0011570500000000 ] - [ 0.0043211500000000, -0.0047653000000000, -0.0050116500000000 ] - [ 0.0043211500000000, 0.0047653000000000, -0.0050116500000000 ] - [ -0.0003778900000000, 0.0000000000000000, -0.0033522000000000 ] - [ 0.0115988900000000, 0.0000000000000000, 0.0147589400000000 ] - [ -0.0005969900000000, 0.0025190900000000, 0.0008885900000000 ] - [ -0.0005969900000000, -0.0025190900000000, 0.0008885900000000 ] - [ -0.0030748800000000, 0.0000000000000000, -0.0023861100000000 ] - [ -0.0035932500000000, 0.0003746900000000, -0.0023041600000000 ] - [ -0.0035932500000000, -0.0003746900000000, -0.0023041600000000 ] - [ -0.0573806900000000, 0.0000000000000000, -0.1471722500000000 ] - [ -0.0016624800000000, 0.0006736200000000, -0.0040970600000000 ] - [ -0.0016624800000000, -0.0006736200000000, -0.0040970600000000 ] - [ -0.0023294900000000, -0.0000493900000000, 0.0021691000000000 ] - [ -0.0023294900000000, 0.0000493900000000, 0.0021691000000000 ] - [ -0.0010849700000000, 0.0000000000000000, 0.0008976600000000 ] - [ -0.0002868100000000, 0.0000000000000000, -0.0023205900000000 ] - [ 0.0006112800000000, -0.0002741600000000, -0.0013860000000000 ] - [ 0.0006112800000000, 0.0002741600000000, -0.0013860000000000 ] - [ 0.0015547200000000, -0.0002733000000000, 0.0024211000000000 ] - [ 0.0015547200000000, 0.0002733000000000, 0.0024211000000000 ] - [ 0.0011409500000000, 0.0000000000000000, 0.0000347700000000 ] - [ 0.0005986100000000, 0.0000000000000000, 0.0031500900000000 ] - [ 0.0005306600000000, 0.0000534200000000, 0.0012203200000000 ] - [ 0.0005306600000000, -0.0000534200000000, 0.0012203200000000 ] - [ -0.0015546900000000, -0.0000259600000000, 0.0012273700000000 ] - [ -0.0015546900000000, 0.0000259600000000, 0.0012273700000000 ] - [ -0.0020282700000000, 0.0000000000000000, 0.0008194600000000 ] - [ 0.0846073900000000, 0.0000000000000000, 0.2340445400000000 ] - [ -0.0008824700000000, 0.0004931200000000, 0.0043812500000000 ] - [ -0.0008824700000000, -0.0004931200000000, 0.0043812500000000 ] - [ 0.0024899900000000, 0.0018164400000000, -0.0024622200000000 ] - [ 0.0024899900000000, -0.0018164400000000, -0.0024622200000000 ] - [ 0.0020456300000000, 0.0000000000000000, -0.0005191800000000 ] - [ -0.0156625500000000, 0.0000000000000000, -0.0762592600000000 ] - [ -0.0002154200000000, -0.0013790100000000, 0.0025649800000000 ] - [ -0.0002154200000000, 0.0013790100000000, 0.0025649800000000 ] - [ 0.0010397200000000, -0.0000931200000000, -0.0006299600000000 ] - [ 0.0010397200000000, 0.0000931200000000, -0.0006299600000000 ] - [ 0.0013950500000000, 0.0000000000000000, -0.0013890700000000 ] - [ 0.0009318600000000, 0.0000000000000000, -0.0016678400000000 ] - [ 0.0008440500000000, -0.0004587500000000, -0.0016446400000000 ] - [ 0.0008440500000000, 0.0004587500000000, -0.0016446400000000 ] - [ 0.0004485100000000, -0.0000726900000000, -0.0011613900000000 ] - [ 0.0004485100000000, 0.0000726900000000, -0.0011613900000000 ] - [ -0.0003465000000000, 0.0000000000000000, -0.0001236200000000 ] - [ 0.0008423900000000, 0.0009614500000000, -0.0023446900000000 ] - [ 0.0008423900000000, -0.0009614500000000, -0.0023446900000000 ] - [ -0.0005038500000000, 0.0000000000000000, -0.0017554500000000 ] - [ 0.0021121300000000, 0.0000000000000000, -0.0045247300000000 ] - [ 0.0042123600000000, 0.0109641700000000, -0.0065433100000000 ] - [ 0.0042123600000000, -0.0109641700000000, -0.0065433100000000 ] - [ 0.0017420400000000, 0.0000000000000000, 0.0018810300000000 ] - [ 0.0001098500000000, -0.0000523100000000, 0.0007923400000000 ] - [ 0.0001098500000000, 0.0000523100000000, 0.0007923400000000 ] - [ 0.0003026700000000, 0.0000000000000000, 0.0023364400000000 ] - [ 0.0002283000000000, 0.0001722300000000, 0.0019450500000000 ] - [ 0.0002283000000000, -0.0001722300000000, 0.0019450500000000 ] - [ -0.0003382100000000, 0.0005218500000000, -0.0028194800000000 ] - [ -0.0003382100000000, -0.0005218500000000, -0.0028194800000000 ] - [ -0.0005577100000000, 0.0000000000000000, -0.0002581900000000 ] - [ -0.0003593100000000, 0.0000000000000000, -0.0013941900000000 ] - [ -0.0004324400000000, -0.0000310200000000, -0.0010733000000000 ] - [ -0.0004324400000000, 0.0000310200000000, -0.0010733000000000 ] - [ -0.0008362500000000, 0.0000000000000000, -0.0008499900000000 ] - [ -0.0010007800000000, -0.0005995800000000, -0.0005497500000000 ] - [ -0.0010007800000000, 0.0005995800000000, -0.0005497500000000 ] - [ 0.0003598400000000, 0.0003183400000000, -0.0017554400000000 ] - [ 0.0003598400000000, -0.0003183400000000, -0.0017554400000000 ] - [ 0.0006917200000000, 0.0000000000000000, -0.0010850700000000 ] - [ -0.0004154600000000, 0.0004707700000000, -0.0005477000000000 ] - [ -0.0004154600000000, -0.0004707700000000, -0.0005477000000000 ] - [ 0.0003485100000000, 0.0000000000000000, -0.0002336300000000 ] - [ -0.0007169500000000, 0.0000000000000000, 0.0018239600000000 ] - [ -0.0015908400000000, -0.0011647800000000, 0.0019299700000000 ] - [ -0.0015908400000000, 0.0011647800000000, 0.0019299700000000 ] - [ -0.0014967100000000, -0.0017359700000000, -0.0029904900000000 ] - [ -0.0014967100000000, 0.0017359700000000, -0.0029904900000000 ] - [ -0.0002966300000000, 0.0000000000000000, -0.0006425800000000 ] - [ -0.0016825600000000, 0.0000566400000000, -0.0017356400000000 ] - [ -0.0016825600000000, -0.0000566400000000, -0.0017356400000000 ] - [ -0.0009300700000000, 0.0000000000000000, -0.0004974300000000 ] - [ 0.0035957500000000, 0.0015394900000000, 0.0029965500000000 ] - [ 0.0035957500000000, -0.0015394900000000, 0.0029965500000000 ] - [ 0.0020219400000000, 0.0000000000000000, 0.0013511300000000 ] - [ -0.0006135100000000, 0.0000000000000000, -0.0007665800000000 ] - [ -0.0000431300000000, 0.0000189000000000, 0.0004706800000000 ] - [ -0.0000431300000000, -0.0000189000000000, 0.0004706800000000 ] - [ -0.0031089900000000, 0.0000000000000000, -0.0038746700000000 ] - [ 0.0007495200000000, -0.0002922700000000, -0.0015953200000000 ] - [ 0.0007495200000000, 0.0002922700000000, -0.0015953200000000 ] - [ -0.0024066300000000, 0.0027902800000000, 0.0000674900000000 ] - [ -0.0024066300000000, -0.0027902800000000, 0.0000674900000000 ] - [ -0.0009749900000000, 0.0000000000000000, 0.0006823600000000 ] - [ -0.0261627600000000, 0.0000000000000000, 0.0052747500000000 ] - [ 0.0012266500000000, -0.0006476600000000, 0.0009631600000000 ] - [ 0.0012266500000000, 0.0006476600000000, 0.0009631600000000 ] - [ 0.0002355100000000, 0.0001802000000000, -0.0020025100000000 ] - [ 0.0002355100000000, -0.0001802000000000, -0.0020025100000000 ] - [ 0.0004735200000000, 0.0000000000000000, -0.0017130000000000 ] - [ -0.0004148100000000, 0.0000000000000000, -0.0033711000000000 ] - [ -0.0010691000000000, -0.0001713900000000, -0.0007913800000000 ] - [ -0.0010691000000000, 0.0001713900000000, -0.0007913800000000 ] - [ 0.0009725700000000, 0.0000336600000000, 0.0004051400000000 ] - [ 0.0009725700000000, -0.0000336600000000, 0.0004051400000000 ] - [ 0.0011050900000000, 0.0000000000000000, 0.0008027200000000 ]- atom: 64 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0073121000000000, 0.0000000000000000, -0.0019386500000000 ] - [ 0.0008576600000000, 0.0000460600000000, 0.0001654800000000 ] - [ 0.0008576600000000, -0.0000460600000000, 0.0001654800000000 ] - [ 0.0003244700000000, 0.0001369500000000, 0.0000453000000000 ] - [ 0.0000893000000000, 0.0000000000000000, 0.0002770900000000 ] - [ 0.0003244700000000, -0.0001369500000000, 0.0000453000000000 ] - [ 0.0000434900000000, 0.0000000000000000, -0.0002033100000000 ] - [ 0.0000424200000000, 0.0000692300000000, -0.0002169200000000 ] - [ 0.0000424200000000, -0.0000692300000000, -0.0002169200000000 ] - [ 0.0003314900000000, 0.0002225100000000, -0.0005524600000000 ] - [ 0.0001635600000000, 0.0000000000000000, -0.0002804200000000 ] - [ 0.0003314900000000, -0.0002225100000000, -0.0005524600000000 ] - [ 0.0005341500000000, 0.0000000000000000, 0.0013390500000000 ] - [ 0.0005004000000000, 0.0001446600000000, 0.0013184800000000 ] - [ 0.0005004000000000, -0.0001446600000000, 0.0013184800000000 ] - [ 0.0130358000000000, 0.0000000000000000, 0.0050747300000000 ] - [ 0.0027010300000000, 0.0004173200000000, -0.0008542600000000 ] - [ 0.0027010300000000, -0.0004173200000000, -0.0008542600000000 ] - [ 0.0004509300000000, 0.0002700300000000, 0.0021558400000000 ] - [ 0.0003178200000000, 0.0000000000000000, 0.0014068300000000 ] - [ 0.0004509300000000, -0.0002700300000000, 0.0021558400000000 ] - [ -0.0071563600000000, 0.0090883800000000, 0.0044744600000000 ] - [ 0.0013810500000000, 0.0000000000000000, -0.0003702400000000 ] - [ -0.0071563600000000, -0.0090883800000000, 0.0044744600000000 ] - [ -0.0070664100000000, 0.0101853400000000, -0.0044654900000000 ] - [ 0.0013645700000000, 0.0000000000000000, 0.0000005800000000 ] - [ -0.0070664100000000, -0.0101853400000000, -0.0044654900000000 ] - [ -0.0020899200000000, 0.0000000000000000, 0.0004195800000000 ] - [ -0.0015364800000000, 0.0002988300000000, 0.0004653500000000 ] - [ -0.0015364800000000, -0.0002988300000000, 0.0004653500000000 ] - [ -0.0086928100000000, 0.0000000000000000, -0.0005843800000000 ] - [ -0.0062395000000000, 0.0005569300000000, -0.0012725400000000 ] - [ -0.0062395000000000, -0.0005569300000000, -0.0012725400000000 ] - [ -0.0032921500000000, 0.0000000000000000, 0.0015804400000000 ] - [ -0.0031661700000000, 0.0005911500000000, 0.0023338300000000 ] - [ -0.0031661700000000, -0.0005911500000000, 0.0023338300000000 ] - [ 0.0001916200000000, -0.0067580500000000, 0.0028780000000000 ] - [ 0.0049068900000000, 0.0000000000000000, -0.0034590300000000 ] - [ 0.0001916200000000, 0.0067580500000000, 0.0028780000000000 ] - [ -0.0006846000000000, 0.0002840000000000, 0.0001952300000000 ] - [ -0.0004852400000000, 0.0000000000000000, 0.0001302900000000 ] - [ -0.0006846000000000, -0.0002840000000000, 0.0001952300000000 ] - [ -0.0004666100000000, 0.0001326900000000, 0.0020427700000000 ] - [ 0.0007867400000000, 0.0000000000000000, 0.0010047200000000 ] - [ -0.0004666100000000, -0.0001326900000000, 0.0020427700000000 ] - [ 0.1977567300000000, 0.0000000000000000, 0.0036411900000000 ] - [ 0.0031289900000000, 0.0005768600000000, 0.0004760300000000 ] - [ 0.0031289900000000, -0.0005768600000000, 0.0004760300000000 ] - [ -0.0024381700000000, 0.0000273200000000, -0.0005089200000000 ] - [ -0.0009504200000000, 0.0000000000000000, 0.0001794900000000 ] - [ -0.0024381700000000, -0.0000273200000000, -0.0005089200000000 ] - [ 0.0001338200000000, 0.0000000000000000, 0.0000652000000000 ] - [ 0.0000039300000000, 0.0000092700000000, 0.0000173500000000 ] - [ 0.0000039300000000, -0.0000092700000000, 0.0000173500000000 ] - [ 0.0001190700000000, -0.0002492800000000, -0.0027289000000000 ] - [ -0.0000182100000000, 0.0000000000000000, -0.0012783300000000 ] - [ 0.0001190700000000, 0.0002492800000000, -0.0027289000000000 ] - [ -0.0002676100000000, 0.0000000000000000, 0.0009507500000000 ] - [ 0.0003783200000000, 0.0000257300000000, 0.0002155700000000 ] - [ 0.0003783200000000, -0.0000257300000000, 0.0002155700000000 ] - [ -0.0012687400000000, -0.0001863000000000, -0.0020312100000000 ] - [ -0.0012781200000000, 0.0000000000000000, -0.0016039200000000 ] - [ -0.0012687400000000, 0.0001863000000000, -0.0020312100000000 ] - [ -0.3259805700000000, 0.0000000000000000, -0.0026176700000000 ] - [ -0.0039354800000000, 0.0001165400000000, 0.0007136500000000 ] - [ -0.0039354800000000, -0.0001165400000000, 0.0007136500000000 ] - [ -0.0021105900000000, -0.0000302900000000, -0.0022647500000000 ] - [ -0.0005398300000000, 0.0000000000000000, -0.0001722300000000 ] - [ -0.0021105900000000, 0.0000302900000000, -0.0022647500000000 ] - [ -0.0001753000000000, 0.0000000000000000, -0.0000903000000000 ] - [ -0.0004898000000000, -0.0001761600000000, 0.0000616600000000 ] - [ -0.0004898000000000, 0.0001761600000000, 0.0000616600000000 ] - [ -0.0012524900000000, -0.0001752900000000, -0.0007895100000000 ] - [ -0.0003912700000000, 0.0000000000000000, -0.0001234400000000 ] - [ -0.0012524900000000, 0.0001752900000000, -0.0007895100000000 ] - [ 0.0550236800000000, 0.0000000000000000, -0.0445466200000000 ] - [ -0.0023089100000000, -0.0009565100000000, 0.0015790700000000 ] - [ -0.0023089100000000, 0.0009565100000000, 0.0015790700000000 ] - [ 0.0562033000000000, 0.0000000000000000, 0.0440031900000000 ] - [ -0.0020830900000000, -0.0008741800000000, -0.0025633100000000 ] - [ -0.0020830900000000, 0.0008741800000000, -0.0025633100000000 ] - [ -0.0007431000000000, -0.0000650100000000, -0.0000666900000000 ] - [ -0.0008446100000000, 0.0000000000000000, 0.0001443400000000 ] - [ -0.0007431000000000, 0.0000650100000000, -0.0000666900000000 ] - [ 0.0007022100000000, 0.0002449200000000, 0.0020071700000000 ] - [ 0.0005545800000000, 0.0000000000000000, 0.0000029700000000 ] - [ 0.0007022100000000, -0.0002449200000000, 0.0020071700000000 ] - [ 0.0004313000000000, -0.0000614400000000, 0.0008540400000000 ] - [ 0.0000122500000000, 0.0000000000000000, 0.0004547300000000 ] - [ 0.0004313000000000, 0.0000614400000000, 0.0008540400000000 ] - [ 0.0003107800000000, 0.0000000000000000, -0.0002601200000000 ] - [ 0.0004254000000000, -0.0001514300000000, -0.0002176800000000 ] - [ 0.0004254000000000, 0.0001514300000000, -0.0002176800000000 ] - [ 0.0015352300000000, 0.0003232500000000, -0.0017206700000000 ] - [ 0.0003655700000000, 0.0000000000000000, -0.0000383100000000 ] - [ 0.0015352300000000, -0.0003232500000000, -0.0017206700000000 ] - [ 0.0027413700000000, -0.0010831400000000, -0.0005162300000000 ] - [ 0.0002146000000000, 0.0000000000000000, -0.0002011200000000 ] - [ 0.0027413700000000, 0.0010831400000000, -0.0005162300000000 ] - [ 0.0036678300000000, 0.0000000000000000, -0.0000221500000000 ] - [ 0.0034195700000000, -0.0030995100000000, 0.0012450500000000 ] - [ 0.0034195700000000, 0.0030995100000000, 0.0012450500000000 ] - [ 0.0038513000000000, 0.0000000000000000, 0.0001525300000000 ] - [ 0.0036935600000000, -0.0042065900000000, -0.0007554100000000 ] - [ 0.0036935600000000, 0.0042065900000000, -0.0007554100000000 ] - [ 0.0014059200000000, -0.0002013100000000, -0.0007270700000000 ] - [ 0.0006407800000000, 0.0000000000000000, -0.0003829500000000 ] - [ 0.0014059200000000, 0.0002013100000000, -0.0007270700000000 ] - [ -0.0000856400000000, 0.0000000000000000, -0.0007373200000000 ] - [ 0.0000251400000000, -0.0000495700000000, -0.0007676300000000 ] - [ 0.0000251400000000, 0.0000495700000000, -0.0007676300000000 ] - [ -0.0003016200000000, 0.0000000000000000, 0.0000057600000000 ] - [ -0.0002808100000000, -0.0000553900000000, 0.0001812100000000 ] - [ -0.0002808100000000, 0.0000553900000000, 0.0001812100000000 ] - [ 0.0005216200000000, 0.0000000000000000, -0.0014253600000000 ] - [ 0.0005215600000000, -0.0001338300000000, -0.0018122000000000 ] - [ 0.0005215600000000, 0.0001338300000000, -0.0018122000000000 ] - [ 0.0016755900000000, -0.0001295700000000, 0.0034595100000000 ] - [ 0.0012916700000000, 0.0000000000000000, 0.0024054100000000 ] - [ 0.0016755900000000, 0.0001295700000000, 0.0034595100000000 ] - [ 0.0038831900000000, -0.0009536600000000, 0.0026206000000000 ] - [ 0.0015491100000000, 0.0000000000000000, 0.0003259900000000 ] - [ 0.0038831900000000, 0.0009536600000000, 0.0026206000000000 ] - [ 0.0074386700000000, 0.0000000000000000, -0.0024628300000000 ] - [ 0.0081388300000000, 0.0133753500000000, -0.0052941200000000 ] - [ 0.0081388300000000, -0.0133753500000000, -0.0052941200000000 ] - [ 0.0006076900000000, -0.0000879400000000, -0.0009754500000000 ] - [ 0.0001769500000000, 0.0000000000000000, -0.0015816600000000 ] - [ 0.0006076900000000, 0.0000879400000000, -0.0009754500000000 ] - [ -0.0006421600000000, 0.0000000000000000, -0.0023845800000000 ] - [ -0.0002807300000000, -0.0000030600000000, -0.0003804600000000 ] - [ -0.0002807300000000, 0.0000030600000000, -0.0003804600000000 ] - [ -0.0019494800000000, 0.0000352400000000, 0.0025572100000000 ] - [ -0.0014290900000000, 0.0000000000000000, 0.0012333000000000 ] - [ -0.0019494800000000, -0.0000352400000000, 0.0025572100000000 ] - [ 0.0007700700000000, 0.0000000000000000, -0.0001632600000000 ] - [ 0.0007435000000000, -0.0000768800000000, 0.0004840400000000 ] - [ 0.0007435000000000, 0.0000768800000000, 0.0004840400000000 ]- atom: 64 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0077438300000000, 0.0000000000000000, 0.0021208300000000 ] - [ -0.0012680400000000, -0.0000370400000000, 0.0000785300000000 ] - [ -0.0012680400000000, 0.0000370400000000, 0.0000785300000000 ] - [ -0.0005547900000000, -0.0001368800000000, 0.0004161000000000 ] - [ -0.0003176100000000, 0.0000000000000000, 0.0001869100000000 ] - [ -0.0005547900000000, 0.0001368800000000, 0.0004161000000000 ] - [ 0.0001854100000000, 0.0000000000000000, -0.0002546000000000 ] - [ 0.0001841800000000, -0.0000690200000000, -0.0002462200000000 ] - [ 0.0001841800000000, 0.0000690200000000, -0.0002462200000000 ] - [ 0.0000810000000000, -0.0002151100000000, 0.0003096700000000 ] - [ 0.0002478600000000, 0.0000000000000000, 0.0000395900000000 ] - [ 0.0000810000000000, 0.0002151100000000, 0.0003096700000000 ] - [ -0.0003405100000000, 0.0000000000000000, -0.0004700100000000 ] - [ -0.0003090100000000, -0.0001398700000000, -0.0004459000000000 ] - [ -0.0003090100000000, 0.0001398700000000, -0.0004459000000000 ] - [ -0.0120348700000000, 0.0000000000000000, -0.0051621700000000 ] - [ -0.0016734700000000, -0.0003944300000000, 0.0006192400000000 ] - [ -0.0016734700000000, 0.0003944300000000, 0.0006192400000000 ] - [ -0.0003523200000000, -0.0002675200000000, -0.0003010000000000 ] - [ -0.0002115900000000, 0.0000000000000000, 0.0004407500000000 ] - [ -0.0003523200000000, 0.0002675200000000, -0.0003010000000000 ] - [ 0.0082128100000000, -0.0091454200000000, -0.0053812100000000 ] - [ -0.0003731800000000, 0.0000000000000000, -0.0005113000000000 ] - [ 0.0082128100000000, 0.0091454200000000, -0.0053812100000000 ] - [ 0.0081109200000000, -0.0102403300000000, 0.0045839400000000 ] - [ -0.0003651900000000, 0.0000000000000000, 0.0001043600000000 ] - [ 0.0081109200000000, 0.0102403300000000, 0.0045839400000000 ] - [ 0.0010884300000000, 0.0000000000000000, -0.0005354000000000 ] - [ 0.0005272400000000, -0.0002977200000000, -0.0005791400000000 ] - [ 0.0005272400000000, 0.0002977200000000, -0.0005791400000000 ] - [ 0.0076803200000000, 0.0000000000000000, 0.0014428500000000 ] - [ 0.0052177500000000, -0.0005482100000000, 0.0021342800000000 ] - [ 0.0052177500000000, 0.0005482100000000, 0.0021342800000000 ] - [ 0.0032004300000000, 0.0000000000000000, -0.0034000400000000 ] - [ 0.0030689200000000, -0.0005826500000000, -0.0041581600000000 ] - [ 0.0030689200000000, 0.0005826500000000, -0.0041581600000000 ] - [ -0.0008670700000000, 0.0070223700000000, -0.0026607400000000 ] - [ -0.0058998800000000, 0.0000000000000000, 0.0036889600000000 ] - [ -0.0008670700000000, -0.0070223700000000, -0.0026607400000000 ] - [ 0.0004989700000000, -0.0002802500000000, -0.0010564800000000 ] - [ 0.0003002400000000, 0.0000000000000000, -0.0009963300000000 ] - [ 0.0004989700000000, 0.0002802500000000, -0.0010564800000000 ] - [ 0.0003631400000000, -0.0001404000000000, -0.0023718000000000 ] - [ -0.0009047100000000, 0.0000000000000000, -0.0012973700000000 ] - [ 0.0003631400000000, 0.0001404000000000, -0.0023718000000000 ] - [ -0.2171225900000000, 0.0000000000000000, -0.0035144100000000 ] - [ -0.0041320200000000, -0.0005580000000000, 0.0000493400000000 ] - [ -0.0041320200000000, 0.0005580000000000, 0.0000493400000000 ] - [ 0.0026700000000000, -0.0000277000000000, 0.0011208000000000 ] - [ 0.0011780900000000, 0.0000000000000000, 0.0004277600000000 ] - [ 0.0026700000000000, 0.0000277000000000, 0.0011208000000000 ] - [ -0.0003669700000000, 0.0000000000000000, -0.0006683600000000 ] - [ -0.0002351400000000, -0.0000095100000000, -0.0006188200000000 ] - [ -0.0002351400000000, 0.0000095100000000, -0.0006188200000000 ] - [ 0.0008687900000000, 0.0002484700000000, 0.0022024100000000 ] - [ 0.0010128700000000, 0.0000000000000000, 0.0007437100000000 ] - [ 0.0008687900000000, -0.0002484700000000, 0.0022024100000000 ] - [ 0.0003711100000000, 0.0000000000000000, -0.0006196400000000 ] - [ -0.0002493800000000, -0.0000249000000000, 0.0000823000000000 ] - [ -0.0002493800000000, 0.0000249000000000, 0.0000823000000000 ] - [ -0.0002314700000000, 0.0001875100000000, 0.0006902300000000 ] - [ -0.0002264100000000, 0.0000000000000000, 0.0002442200000000 ] - [ -0.0002314700000000, -0.0001875100000000, 0.0006902300000000 ] - [ 0.3476140600000000, 0.0000000000000000, 0.0030663700000000 ] - [ 0.0064423500000000, -0.0001276400000000, -0.0007438400000000 ] - [ 0.0064423500000000, 0.0001276400000000, -0.0007438400000000 ] - [ 0.0022705900000000, -0.0000122400000000, 0.0033044500000000 ] - [ 0.0007355500000000, 0.0000000000000000, 0.0011631900000000 ] - [ 0.0022705900000000, 0.0000122400000000, 0.0033044500000000 ] - [ -0.0003020300000000, 0.0000000000000000, 0.0004627400000000 ] - [ -0.0000017600000000, 0.0001746400000000, 0.0003147900000000 ] - [ -0.0000017600000000, -0.0001746400000000, 0.0003147900000000 ] - [ 0.0017244900000000, 0.0001203200000000, 0.0007669400000000 ] - [ 0.0008336100000000, 0.0000000000000000, 0.0001023900000000 ] - [ 0.0017244900000000, -0.0001203200000000, 0.0007669400000000 ] - [ -0.0568719500000000, 0.0000000000000000, 0.0464180800000000 ] - [ 0.0012599300000000, 0.0009538100000000, -0.0003936100000000 ] - [ 0.0012599300000000, -0.0009538100000000, -0.0003936100000000 ] - [ -0.0579952500000000, 0.0000000000000000, -0.0478270200000000 ] - [ 0.0009959400000000, 0.0008710800000000, -0.0005431700000000 ] - [ 0.0009959400000000, -0.0008710800000000, -0.0005431700000000 ] - [ -0.0008940600000000, 0.0000626700000000, 0.0012843400000000 ] - [ -0.0007924400000000, 0.0000000000000000, 0.0010762200000000 ] - [ -0.0008940600000000, -0.0000626700000000, 0.0012843400000000 ] - [ -0.0003575400000000, -0.0002485200000000, -0.0030286300000000 ] - [ -0.0002113200000000, 0.0000000000000000, -0.0010147500000000 ] - [ -0.0003575400000000, 0.0002485200000000, -0.0030286300000000 ] - [ -0.0010290200000000, 0.0000628700000000, 0.0001346600000000 ] - [ -0.0006081700000000, 0.0000000000000000, 0.0005340700000000 ] - [ -0.0010290200000000, -0.0000628700000000, 0.0001346600000000 ] - [ 0.0007596800000000, 0.0000000000000000, 0.0005277000000000 ] - [ 0.0006426100000000, 0.0001501400000000, 0.0004852900000000 ] - [ 0.0006426100000000, -0.0001501400000000, 0.0004852900000000 ] - [ -0.0008558300000000, -0.0003281100000000, 0.0025029000000000 ] - [ 0.0003190000000000, 0.0000000000000000, 0.0008072200000000 ] - [ -0.0008558300000000, 0.0003281100000000, 0.0025029000000000 ] - [ -0.0036483100000000, 0.0010816900000000, 0.0005440000000000 ] - [ -0.0011165100000000, 0.0000000000000000, 0.0002272200000000 ] - [ -0.0036483100000000, -0.0010816900000000, 0.0005440000000000 ] - [ -0.0027827600000000, 0.0000000000000000, 0.0000164900000000 ] - [ -0.0025308000000000, 0.0031207500000000, -0.0012655900000000 ] - [ -0.0025308000000000, -0.0031207500000000, -0.0012655900000000 ] - [ -0.0045561600000000, 0.0000000000000000, -0.0009190600000000 ] - [ -0.0043963900000000, 0.0042340300000000, -0.0000064900000000 ] - [ -0.0043963900000000, -0.0042340300000000, -0.0000064900000000 ] - [ -0.0024710000000000, 0.0002009600000000, 0.0004511100000000 ] - [ -0.0017065300000000, 0.0000000000000000, 0.0001093600000000 ] - [ -0.0024710000000000, -0.0002009600000000, 0.0004511100000000 ] - [ 0.0006838800000000, 0.0000000000000000, -0.0002571200000000 ] - [ 0.0005720700000000, 0.0000505500000000, -0.0002289800000000 ] - [ 0.0005720700000000, -0.0000505500000000, -0.0002289800000000 ] - [ -0.0000384000000000, 0.0000000000000000, 0.0010070900000000 ] - [ -0.0000616700000000, 0.0000556200000000, 0.0008300000000000 ] - [ -0.0000616700000000, -0.0000556200000000, 0.0008300000000000 ] - [ 0.0011079600000000, 0.0000000000000000, 0.0001911700000000 ] - [ 0.0011091400000000, 0.0001320800000000, 0.0005806400000000 ] - [ 0.0011091400000000, -0.0001320800000000, 0.0005806400000000 ] - [ -0.0005836600000000, 0.0001287600000000, -0.0003530300000000 ] - [ -0.0001956500000000, 0.0000000000000000, 0.0007099700000000 ] - [ -0.0005836600000000, -0.0001287600000000, -0.0003530300000000 ] - [ -0.0028505300000000, 0.0009459100000000, -0.0038138800000000 ] - [ -0.0005004600000000, 0.0000000000000000, -0.0015073400000000 ] - [ -0.0028505300000000, -0.0009459100000000, -0.0038138800000000 ] - [ -0.0077723900000000, 0.0000000000000000, 0.0024274300000000 ] - [ -0.0085196000000000, -0.0133159700000000, 0.0052743600000000 ] - [ -0.0085196000000000, 0.0133159700000000, 0.0052743600000000 ] - [ -0.0001422800000000, 0.0000886800000000, 0.0006025300000000 ] - [ 0.0003048400000000, 0.0000000000000000, 0.0011985600000000 ] - [ -0.0001422800000000, -0.0000886800000000, 0.0006025300000000 ] - [ 0.0004110000000000, 0.0000000000000000, 0.0013352100000000 ] - [ 0.0000803400000000, 0.0000008800000000, -0.0006125400000000 ] - [ 0.0000803400000000, -0.0000008800000000, -0.0006125400000000 ] - [ -0.0005923200000000, -0.0000225900000000, -0.0025037100000000 ] - [ -0.0011120000000000, 0.0000000000000000, -0.0011929900000000 ] - [ -0.0005923200000000, 0.0000225900000000, -0.0025037100000000 ] - [ 0.0007321400000000, 0.0000000000000000, 0.0014928500000000 ] - [ 0.0007577000000000, 0.0000765200000000, 0.0008674100000000 ] - [ 0.0007577000000000, -0.0000765200000000, 0.0008674100000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001919500000000, 0.0055532300000000, 0.0001033600000000 ] - [ 0.0001668400000000, -0.0009077200000000, 0.0004318300000000 ] - [ -0.0005689100000000, -0.0009059500000000, -0.0001822200000000 ] - [ 0.0000581300000000, 0.0000447000000000, 0.0003498800000000 ] - [ -0.0001123200000000, -0.0000836100000000, 0.0002328900000000 ] - [ -0.0002822400000000, 0.0000436500000000, 0.0001114600000000 ] - [ 0.0001186700000000, 0.0000455500000000, -0.0002171300000000 ] - [ 0.0001243600000000, -0.0000225300000000, -0.0002361800000000 ] - [ 0.0001044900000000, -0.0000237300000000, -0.0002266300000000 ] - [ 0.0002990600000000, 0.0000868300000000, -0.0005134000000000 ] - [ 0.0002021800000000, -0.0001556300000000, -0.0001258400000000 ] - [ 0.0001084100000000, 0.0000816100000000, 0.0002612500000000 ] - [ 0.0000950500000000, 0.0009781000000000, 0.0004404700000000 ] - [ 0.0000487400000000, -0.0004782100000000, 0.0008918400000000 ] - [ 0.0001412700000000, -0.0004799400000000, -0.0000117300000000 ] - [ 0.0005458700000000, 0.0061824100000000, -0.0000978900000000 ] - [ 0.0014136800000000, -0.0012518500000000, -0.0017196700000000 ] - [ -0.0003773900000000, -0.0012540300000000, 0.0014566200000000 ] - [ 0.0001046100000000, -0.0000220300000000, 0.0011292300000000 ] - [ 0.0000561500000000, -0.0000192400000000, 0.0009228300000000 ] - [ 0.0000067100000000, -0.0000251900000000, 0.0007261700000000 ] - [ -0.0001069300000000, 0.0010916500000000, -0.0005104900000000 ] - [ 0.0005192100000000, -0.0003923800000000, -0.0004402100000000 ] - [ 0.0010914300000000, 0.0010247300000000, -0.0003422400000000 ] - [ 0.0004968700000000, 0.0013650900000000, -0.0000997800000000 ] - [ 0.0005150600000000, -0.0006485700000000, 0.0000558900000000 ] - [ 0.0004795900000000, 0.0012886600000000, 0.0001824600000000 ] - [ -0.0005134400000000, 0.0006549600000000, -0.0000520800000000 ] - [ -0.0009797300000000, -0.0003622000000000, -0.0002359300000000 ] - [ -0.0000438100000000, -0.0003658900000000, 0.0001305000000000 ] - [ -0.0005377100000000, 0.0021446000000000, 0.0004379400000000 ] - [ -0.0033317800000000, -0.0008930800000000, -0.0003826600000000 ] - [ 0.0022710000000000, -0.0008981400000000, 0.0012509700000000 ] - [ -0.0000658000000000, 0.0010942500000000, -0.0009171500000000 ] - [ -0.0012275400000000, -0.0003537000000000, 0.0015616700000000 ] - [ 0.0010975300000000, -0.0003582900000000, -0.0033878500000000 ] - [ -0.0065989400000000, 0.0025210000000000, 0.0016351400000000 ] - [ -0.0005061400000000, -0.0082457300000000, 0.0001091800000000 ] - [ 0.0058001600000000, 0.0023029000000000, -0.0014535100000000 ] - [ -0.0001292400000000, 0.0002682500000000, -0.0002218400000000 ] - [ -0.0000951000000000, -0.0005393100000000, -0.0004348900000000 ] - [ -0.0000644600000000, 0.0002640100000000, -0.0006456000000000 ] - [ -0.0017586000000000, 0.0007530300000000, 0.0033829000000000 ] - [ -0.0000623100000000, -0.0001752600000000, -0.0001395900000000 ] - [ 0.0016284300000000, 0.0007495100000000, -0.0036659300000000 ] - [ 0.0000799300000000, 0.0527895100000000, 0.0002674100000000 ] - [ 0.0015176500000000, -0.0008635300000000, 0.0002220000000000 ] - [ -0.0024555700000000, -0.0008499900000000, 0.0003081400000000 ] - [ -0.0002356700000000, -0.0000658500000000, 0.0002941900000000 ] - [ 0.0001121800000000, 0.0001182300000000, 0.0003014800000000 ] - [ 0.0004494900000000, -0.0000662400000000, 0.0003017400000000 ] - [ -0.0001137000000000, 0.0000026700000000, -0.0002999100000000 ] - [ -0.0001745800000000, 0.0000045000000000, -0.0002244100000000 ] - [ -0.0000537900000000, 0.0000045200000000, -0.0003751000000000 ] - [ 0.0006806700000000, 0.0001412300000000, -0.0021583000000000 ] - [ 0.0004891000000000, -0.0001193600000000, -0.0002685700000000 ] - [ 0.0003019400000000, 0.0001416800000000, 0.0016133100000000 ] - [ 0.0000571500000000, 0.0000171000000000, 0.0001557800000000 ] - [ 0.0002938900000000, 0.0000184100000000, -0.0001256600000000 ] - [ -0.0001623400000000, 0.0000177800000000, 0.0004159200000000 ] - [ -0.0009083000000000, -0.0002207400000000, -0.0025974700000000 ] - [ -0.0007517000000000, 0.0001246900000000, -0.0006830200000000 ] - [ -0.0005966400000000, -0.0002181900000000, 0.0012283700000000 ] - [ -0.0000194600000000, -0.0455375800000000, 0.0001142200000000 ] - [ 0.0011347400000000, 0.0023289700000000, 0.0001828200000000 ] - [ 0.0013838900000000, 0.0022956900000000, -0.0002180900000000 ] - [ 0.0016387700000000, 0.0014090600000000, -0.0049406100000000 ] - [ 0.0000994400000000, 0.0008997600000000, 0.0004896000000000 ] - [ -0.0014250500000000, 0.0014031000000000, 0.0058738800000000 ] - [ -0.0002424000000000, -0.0000088400000000, 0.0001877100000000 ] - [ -0.0004110800000000, -0.0000151300000000, 0.0001910300000000 ] - [ -0.0000829500000000, -0.0000130600000000, 0.0001875300000000 ] - [ 0.0006490500000000, -0.0012459100000000, -0.0000656800000000 ] - [ 0.0002143000000000, 0.0008864900000000, -0.0000094900000000 ] - [ -0.0002145100000000, -0.0012147500000000, 0.0000436000000000 ] - [ -0.0003463600000000, -0.0180002800000000, 0.0004758700000000 ] - [ -0.0013358700000000, 0.0001432900000000, 0.0013408000000000 ] - [ 0.0002592000000000, 0.0001458300000000, -0.0001360500000000 ] - [ -0.0003596600000000, -0.0183338800000000, -0.0014412900000000 ] - [ -0.0014348500000000, 0.0003415400000000, -0.0020380700000000 ] - [ 0.0003162000000000, 0.0003442100000000, -0.0010900200000000 ] - [ -0.0009021800000000, -0.0002293400000000, 0.0005851300000000 ] - [ -0.0008166100000000, 0.0004457500000000, 0.0006094000000000 ] - [ -0.0007290000000000, -0.0002284700000000, 0.0006306200000000 ] - [ 0.0000924400000000, 0.0001143800000000, -0.0001274100000000 ] - [ 0.0001712000000000, -0.0000101100000000, -0.0005050700000000 ] - [ 0.0002513000000000, 0.0001131600000000, -0.0008674900000000 ] - [ -0.0002122400000000, 0.0000058200000000, 0.0004717400000000 ] - [ -0.0002968000000000, -0.0000160400000000, 0.0004972200000000 ] - [ -0.0003781000000000, 0.0000053400000000, 0.0005299300000000 ] - [ 0.0005324300000000, 0.0000278900000000, 0.0001328900000000 ] - [ 0.0005667700000000, -0.0000050600000000, 0.0000350600000000 ] - [ 0.0004980300000000, -0.0000034600000000, 0.0002316400000000 ] - [ 0.0005786600000000, -0.0000500100000000, 0.0000497500000000 ] - [ 0.0003417200000000, 0.0003233800000000, 0.0003821500000000 ] - [ 0.0001153100000000, -0.0000516600000000, 0.0007018400000000 ] - [ -0.0001825600000000, -0.0008214300000000, -0.0001656000000000 ] - [ -0.0004515100000000, 0.0012748900000000, 0.0000102800000000 ] - [ -0.0007018900000000, -0.0008101200000000, 0.0001841500000000 ] - [ 0.0004631700000000, -0.0001084800000000, -0.0000132800000000 ] - [ 0.0014011100000000, -0.0005563700000000, 0.0006916100000000 ] - [ -0.0004781500000000, -0.0005341200000000, -0.0007052800000000 ] - [ -0.0003277500000000, 0.0002906900000000, -0.0003809900000000 ] - [ 0.0008360600000000, -0.0009311200000000, -0.0006264800000000 ] - [ -0.0014962600000000, -0.0008997800000000, -0.0001426000000000 ] - [ -0.0001960400000000, -0.0004588700000000, -0.0002810300000000 ] - [ -0.0005298500000000, 0.0007778200000000, -0.0001353600000000 ] - [ -0.0008592900000000, -0.0004569900000000, 0.0000087200000000 ] - [ 0.0002962600000000, -0.0000929600000000, -0.0004994800000000 ] - [ 0.0002544000000000, 0.0000487300000000, -0.0005842700000000 ] - [ 0.0003393500000000, 0.0000498200000000, -0.0004173100000000 ] - [ -0.0001700800000000, 0.0000256100000000, 0.0005033700000000 ] - [ -0.0001690100000000, -0.0000075700000000, 0.0005324900000000 ] - [ -0.0001730000000000, -0.0000069400000000, 0.0004773000000000 ] - [ 0.0008162800000000, -0.0002658600000000, -0.0006134600000000 ] - [ 0.0006514100000000, 0.0001531300000000, -0.0014520500000000 ] - [ 0.0009804100000000, 0.0001551900000000, 0.0002225600000000 ] - [ 0.0013865700000000, -0.0000675100000000, 0.0032959900000000 ] - [ 0.0005528300000000, 0.0000706400000000, 0.0015611100000000 ] - [ -0.0002760400000000, -0.0000651400000000, -0.0001650000000000 ] - [ 0.0040638900000000, -0.0008377400000000, 0.0025993000000000 ] - [ 0.0005348100000000, 0.0005552800000000, -0.0005902700000000 ] - [ -0.0029733600000000, -0.0008335100000000, -0.0037513100000000 ] - [ -0.0002052600000000, -0.0083320900000000, -0.0000052300000000 ] - [ 0.0046023400000000, 0.0125568800000000, -0.0034919700000000 ] - [ -0.0049925200000000, 0.0124657900000000, 0.0034790300000000 ] - [ 0.0017947300000000, -0.0004539000000000, -0.0008060500000000 ] - [ 0.0002464800000000, 0.0008879300000000, -0.0001955200000000 ] - [ -0.0012975600000000, -0.0004523400000000, 0.0004183100000000 ] - [ -0.0001098000000000, -0.0000431200000000, -0.0005130200000000 ] - [ -0.0001408500000000, 0.0001539000000000, -0.0000850600000000 ] - [ -0.0000597500000000, 0.0001540100000000, -0.0009003100000000 ] - [ -0.0012445500000000, 0.0001279300000000, 0.0011190100000000 ] - [ -0.0012657400000000, 0.0002652600000000, 0.0000243700000000 ] - [ -0.0012748700000000, 0.0001256700000000, -0.0010576900000000 ] - [ 0.0007503500000000, -0.0001398500000000, 0.0006699700000000 ] - [ 0.0007153100000000, 0.0000563100000000, 0.0008468100000000 ] - [ 0.0007847700000000, 0.0000573200000000, 0.0005091100000000 ]- atom: 64 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0012943200000000, 0.0000000000000000, -0.0013902100000000 ] - [ -0.0006821100000000, 0.0008510300000000, 0.0004336500000000 ] - [ -0.0006821100000000, -0.0008510300000000, 0.0004336500000000 ] - [ -0.0002619200000000, 0.0000534500000000, -0.0002421700000000 ] - [ -0.0001286400000000, 0.0000000000000000, -0.0000075800000000 ] - [ -0.0002619200000000, -0.0000534500000000, -0.0002421700000000 ] - [ -0.0000220800000000, 0.0000000000000000, -0.0007416900000000 ] - [ 0.0001488300000000, -0.0000290100000000, -0.0005278800000000 ] - [ 0.0001488300000000, 0.0000290100000000, -0.0005278800000000 ] - [ -0.0002913800000000, -0.0009278200000000, -0.0000967100000000 ] - [ 0.0001186800000000, 0.0000000000000000, -0.0001392500000000 ] - [ -0.0002913800000000, 0.0009278200000000, -0.0000967100000000 ] - [ 0.0004117600000000, 0.0000000000000000, -0.0019371000000000 ] - [ 0.0001417400000000, 0.0003366500000000, -0.0011918400000000 ] - [ 0.0001417400000000, -0.0003366500000000, -0.0011918400000000 ] - [ -0.0050840100000000, 0.0000000000000000, -0.0091218500000000 ] - [ -0.0013138700000000, -0.0026565200000000, 0.0013821500000000 ] - [ -0.0013138700000000, 0.0026565200000000, 0.0013821500000000 ] - [ 0.0008445700000000, -0.0004663700000000, -0.0022064600000000 ] - [ 0.0002698600000000, 0.0000000000000000, -0.0004741000000000 ] - [ 0.0008445700000000, 0.0004663700000000, -0.0022064600000000 ] - [ 0.0068224600000000, -0.0056695500000000, -0.0009062200000000 ] - [ 0.0006318200000000, 0.0000000000000000, 0.0006712800000000 ] - [ 0.0068224600000000, 0.0056695500000000, -0.0009062200000000 ] - [ -0.0012826100000000, 0.0025080100000000, 0.0004038100000000 ] - [ 0.0007246700000000, 0.0000000000000000, 0.0005868200000000 ] - [ -0.0012826100000000, -0.0025080100000000, 0.0004038100000000 ] - [ -0.0002538000000000, 0.0000000000000000, -0.0006010000000000 ] - [ -0.0001428000000000, -0.0005699000000000, -0.0005131100000000 ] - [ -0.0001428000000000, 0.0005699000000000, -0.0005131100000000 ] - [ 0.0025112600000000, 0.0000000000000000, 0.0034768500000000 ] - [ 0.0013167100000000, -0.0000362400000000, 0.0030046500000000 ] - [ 0.0013167100000000, 0.0000362400000000, 0.0030046500000000 ] - [ 0.0013182800000000, 0.0000000000000000, -0.0031043300000000 ] - [ 0.0009001900000000, 0.0002831500000000, -0.0028175700000000 ] - [ 0.0009001900000000, -0.0002831500000000, -0.0028175700000000 ] - [ 0.0030160100000000, 0.0045388600000000, 0.0053725900000000 ] - [ -0.0023209600000000, 0.0000000000000000, 0.0026002300000000 ] - [ 0.0030160100000000, -0.0045388600000000, 0.0053725900000000 ] - [ 0.0000843100000000, -0.0005634500000000, -0.0022888800000000 ] - [ -0.0000858700000000, 0.0000000000000000, -0.0015963500000000 ] - [ 0.0000843100000000, 0.0005634500000000, -0.0022888800000000 ] - [ 0.0018283200000000, -0.0007030000000000, -0.0049240600000000 ] - [ -0.0005735700000000, 0.0000000000000000, -0.0008781200000000 ] - [ 0.0018283200000000, 0.0007030000000000, -0.0049240600000000 ] - [ -0.0501723700000000, 0.0000000000000000, 0.0438222400000000 ] - [ -0.0017352300000000, -0.0000760700000000, 0.0026118600000000 ] - [ -0.0017352300000000, 0.0000760700000000, 0.0026118600000000 ] - [ 0.0001779100000000, 0.0000104100000000, -0.0006479600000000 ] - [ 0.0004833400000000, 0.0000000000000000, -0.0002490200000000 ] - [ 0.0001779100000000, -0.0000104100000000, -0.0006479600000000 ] - [ -0.0001989400000000, 0.0000000000000000, -0.0014788100000000 ] - [ -0.0000441500000000, 0.0000177100000000, -0.0011226300000000 ] - [ -0.0000441500000000, -0.0000177100000000, -0.0011226300000000 ] - [ -0.0018828300000000, 0.0001968700000000, 0.0023328800000000 ] - [ -0.0001528900000000, 0.0000000000000000, 0.0008475500000000 ] - [ -0.0018828300000000, -0.0001968700000000, 0.0023328800000000 ] - [ 0.0026558600000000, 0.0000000000000000, -0.0049840700000000 ] - [ -0.0003590900000000, -0.0000900400000000, -0.0008466700000000 ] - [ -0.0003590900000000, 0.0000900400000000, -0.0008466700000000 ] - [ -0.0004835500000000, 0.0001637200000000, 0.0021264800000000 ] - [ -0.0005609800000000, 0.0000000000000000, 0.0000560600000000 ] - [ -0.0004835500000000, -0.0001637200000000, 0.0021264800000000 ] - [ 0.0787745600000000, 0.0000000000000000, -0.0713405600000000 ] - [ 0.0032053100000000, -0.0002260600000000, -0.0016567000000000 ] - [ 0.0032053100000000, 0.0002260600000000, -0.0016567000000000 ] - [ -0.0032482600000000, -0.0052296800000000, 0.0056403000000000 ] - [ 0.0001168400000000, 0.0000000000000000, 0.0005009700000000 ] - [ -0.0032482600000000, 0.0052296800000000, 0.0056403000000000 ] - [ -0.0017301100000000, 0.0000000000000000, 0.0013394000000000 ] - [ -0.0000500100000000, 0.0003287100000000, 0.0008189200000000 ] - [ -0.0000500100000000, -0.0003287100000000, 0.0008189200000000 ] - [ -0.0026544300000000, 0.0067214000000000, 0.0009342500000000 ] - [ -0.0001536600000000, 0.0000000000000000, 0.0003125400000000 ] - [ -0.0026544300000000, -0.0067214000000000, 0.0009342500000000 ] - [ -0.0492662300000000, 0.0000000000000000, 0.0200368000000000 ] - [ 0.0003777500000000, 0.0006691500000000, -0.0013669900000000 ] - [ 0.0003777500000000, -0.0006691500000000, -0.0013669900000000 ] - [ 0.0277030800000000, 0.0000000000000000, 0.0001409700000000 ] - [ -0.0005062500000000, -0.0002967200000000, -0.0026875300000000 ] - [ -0.0005062500000000, 0.0002967200000000, -0.0026875300000000 ] - [ -0.0007476500000000, -0.0001431700000000, 0.0022919600000000 ] - [ -0.0008364300000000, 0.0000000000000000, 0.0017159900000000 ] - [ -0.0007476500000000, 0.0001431700000000, 0.0022919600000000 ] - [ 0.0002553100000000, 0.0000521900000000, 0.0000961000000000 ] - [ 0.0001401600000000, 0.0000000000000000, -0.0003871800000000 ] - [ 0.0002553100000000, -0.0000521900000000, 0.0000961000000000 ] - [ -0.0002247700000000, 0.0000620500000000, 0.0013409900000000 ] - [ -0.0003691900000000, 0.0000000000000000, 0.0010453500000000 ] - [ -0.0002247700000000, -0.0000620500000000, 0.0013409900000000 ] - [ 0.0002206400000000, 0.0000000000000000, 0.0012404200000000 ] - [ 0.0002665300000000, 0.0002927500000000, 0.0009942100000000 ] - [ 0.0002665300000000, -0.0002927500000000, 0.0009942100000000 ] - [ -0.0004106500000000, -0.0001325900000000, 0.0014706500000000 ] - [ 0.0005437200000000, 0.0000000000000000, 0.0004403700000000 ] - [ -0.0004106500000000, 0.0001325900000000, 0.0014706500000000 ] - [ -0.0015945200000000, 0.0001769300000000, -0.0021294600000000 ] - [ -0.0008436700000000, 0.0000000000000000, -0.0011686500000000 ] - [ -0.0015945200000000, -0.0001769300000000, -0.0021294600000000 ] - [ -0.0022757000000000, 0.0000000000000000, -0.0005992100000000 ] - [ -0.0015936200000000, 0.0019351000000000, -0.0013446600000000 ] - [ -0.0015936200000000, -0.0019351000000000, -0.0013446600000000 ] - [ 0.0004130300000000, 0.0000000000000000, -0.0007349100000000 ] - [ 0.0001761100000000, -0.0007797900000000, -0.0011080200000000 ] - [ 0.0001761100000000, 0.0007797900000000, -0.0011080200000000 ] - [ -0.0009604600000000, -0.0001015800000000, 0.0007618400000000 ] - [ -0.0010013200000000, 0.0000000000000000, 0.0006060600000000 ] - [ -0.0009604600000000, 0.0001015800000000, 0.0007618400000000 ] - [ 0.0004392800000000, 0.0000000000000000, 0.0005764500000000 ] - [ 0.0003739600000000, -0.0000713200000000, 0.0002704400000000 ] - [ 0.0003739600000000, 0.0000713200000000, 0.0002704400000000 ] - [ 0.0000614700000000, 0.0000000000000000, 0.0013943700000000 ] - [ -0.0000754500000000, 0.0000403900000000, 0.0010773000000000 ] - [ -0.0000754500000000, -0.0000403900000000, 0.0010773000000000 ] - [ 0.0008344400000000, 0.0000000000000000, 0.0008752600000000 ] - [ 0.0008483400000000, 0.0002104300000000, 0.0006731700000000 ] - [ 0.0008483400000000, -0.0002104300000000, 0.0006731700000000 ] - [ 0.0009397300000000, 0.0002875000000000, 0.0006383800000000 ] - [ 0.0003627700000000, 0.0000000000000000, 0.0010238500000000 ] - [ 0.0009397300000000, -0.0002875000000000, 0.0006383800000000 ] - [ -0.0004437200000000, 0.0001772000000000, -0.0036611500000000 ] - [ 0.0005786400000000, 0.0000000000000000, -0.0018533000000000 ] - [ -0.0004437200000000, -0.0001772000000000, -0.0036611500000000 ] - [ -0.0037436300000000, 0.0000000000000000, -0.0001865800000000 ] - [ -0.0030095600000000, -0.0045692500000000, 0.0015143400000000 ] - [ -0.0030095600000000, 0.0045692500000000, 0.0015143400000000 ] - [ -0.0014419300000000, -0.0000260700000000, 0.0008184800000000 ] - [ 0.0004446300000000, 0.0000000000000000, 0.0004156600000000 ] - [ -0.0014419300000000, 0.0000260700000000, 0.0008184800000000 ] - [ 0.0035658100000000, 0.0000000000000000, 0.0074609300000000 ] - [ -0.0000973100000000, 0.0003469600000000, -0.0000093500000000 ] - [ -0.0000973100000000, -0.0003469600000000, -0.0000093500000000 ] - [ 0.0013783000000000, 0.0010435500000000, -0.0020681000000000 ] - [ -0.0000325300000000, 0.0000000000000000, -0.0009618600000000 ] - [ 0.0013783000000000, -0.0010435500000000, -0.0020681000000000 ] - [ 0.0007649600000000, 0.0000000000000000, 0.0043000100000000 ] - [ 0.0009414400000000, 0.0000535100000000, 0.0015793800000000 ] - [ 0.0009414400000000, -0.0000535100000000, 0.0015793800000000 ]- atom: 64 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0008115500000000, 0.0000000000000000, 0.0010017500000000 ] - [ 0.0002822900000000, -0.0008526200000000, -0.0001929200000000 ] - [ 0.0002822900000000, 0.0008526200000000, -0.0001929200000000 ] - [ 0.0000406200000000, -0.0000528300000000, 0.0007052700000000 ] - [ -0.0000956000000000, 0.0000000000000000, 0.0004775200000000 ] - [ 0.0000406200000000, 0.0000528300000000, 0.0007052700000000 ] - [ 0.0002446300000000, 0.0000000000000000, 0.0002665200000000 ] - [ 0.0000762900000000, 0.0000291400000000, 0.0000509200000000 ] - [ 0.0000762900000000, -0.0000291400000000, 0.0000509200000000 ] - [ 0.0006952100000000, 0.0009190100000000, -0.0001416400000000 ] - [ 0.0002885900000000, 0.0000000000000000, -0.0001037500000000 ] - [ 0.0006952100000000, -0.0009190100000000, -0.0001416400000000 ] - [ -0.0002221000000000, 0.0000000000000000, 0.0028128300000000 ] - [ 0.0000488900000000, -0.0003395000000000, 0.0020660500000000 ] - [ 0.0000488900000000, 0.0003395000000000, 0.0020660500000000 ] - [ 0.0060575100000000, 0.0000000000000000, 0.0092194500000000 ] - [ 0.0023253500000000, 0.0026561800000000, -0.0016056700000000 ] - [ 0.0023253500000000, -0.0026561800000000, -0.0016056700000000 ] - [ -0.0007241300000000, 0.0004619300000000, 0.0040479100000000 ] - [ -0.0001554400000000, 0.0000000000000000, 0.0023215200000000 ] - [ -0.0007241300000000, -0.0004619300000000, 0.0040479100000000 ] - [ -0.0058108300000000, 0.0056872900000000, 0.0000606500000000 ] - [ 0.0003972100000000, 0.0000000000000000, -0.0015374500000000 ] - [ -0.0058108300000000, -0.0056872900000000, 0.0000606500000000 ] - [ 0.0022338300000000, -0.0024266400000000, -0.0003303800000000 ] - [ 0.0002989900000000, 0.0000000000000000, -0.0004803000000000 ] - [ 0.0022338300000000, 0.0024266400000000, -0.0003303800000000 ] - [ -0.0007661200000000, 0.0000000000000000, 0.0004972100000000 ] - [ -0.0008740600000000, 0.0005692200000000, 0.0004112400000000 ] - [ -0.0008740600000000, -0.0005692200000000, 0.0004112400000000 ] - [ -0.0035639500000000, 0.0000000000000000, -0.0025950100000000 ] - [ -0.0023613600000000, 0.0000391200000000, -0.0021237300000000 ] - [ -0.0023613600000000, -0.0000391200000000, -0.0021237300000000 ] - [ -0.0014537600000000, 0.0000000000000000, 0.0012585800000000 ] - [ -0.0010306100000000, -0.0002843800000000, 0.0009699000000000 ] - [ -0.0010306100000000, 0.0002843800000000, 0.0009699000000000 ] - [ -0.0040181100000000, -0.0046076300000000, -0.0051228200000000 ] - [ 0.0013162900000000, 0.0000000000000000, -0.0023733300000000 ] - [ -0.0040181100000000, 0.0046076300000000, -0.0051228200000000 ] - [ -0.0002783000000000, 0.0005570000000000, 0.0014095600000000 ] - [ -0.0001075200000000, 0.0000000000000000, 0.0007214500000000 ] - [ -0.0002783000000000, -0.0005570000000000, 0.0014095600000000 ] - [ -0.0019702100000000, 0.0007087500000000, 0.0046509800000000 ] - [ 0.0004468200000000, 0.0000000000000000, 0.0005864700000000 ] - [ -0.0019702100000000, -0.0007087500000000, 0.0046509800000000 ] - [ 0.0493064300000000, 0.0000000000000000, -0.0437570100000000 ] - [ 0.0007616900000000, 0.0000845200000000, -0.0020727600000000 ] - [ 0.0007616900000000, -0.0000845200000000, -0.0020727600000000 ] - [ 0.0000327700000000, -0.0000096400000000, 0.0012382000000000 ] - [ -0.0002617200000000, 0.0000000000000000, 0.0008465600000000 ] - [ 0.0000327700000000, 0.0000096400000000, 0.0012382000000000 ] - [ -0.0000265000000000, 0.0000000000000000, 0.0008751800000000 ] - [ -0.0001804500000000, -0.0000173100000000, 0.0005210700000000 ] - [ -0.0001804500000000, 0.0000173100000000, 0.0005210700000000 ] - [ 0.0028777300000000, -0.0001977800000000, -0.0028614900000000 ] - [ 0.0011305200000000, 0.0000000000000000, -0.0013752600000000 ] - [ 0.0028777300000000, 0.0001977800000000, -0.0028614900000000 ] - [ -0.0025048000000000, 0.0000000000000000, 0.0052325000000000 ] - [ 0.0004841800000000, 0.0000890400000000, 0.0011388700000000 ] - [ 0.0004841800000000, -0.0000890400000000, 0.0011388700000000 ] - [ -0.0010209600000000, -0.0001670200000000, -0.0034929000000000 ] - [ -0.0009429100000000, 0.0000000000000000, -0.0014117300000000 ] - [ -0.0010209600000000, 0.0001670200000000, -0.0034929000000000 ] - [ -0.0759820500000000, 0.0000000000000000, 0.0718703000000000 ] - [ -0.0006963700000000, 0.0002222800000000, 0.0016184000000000 ] - [ -0.0006963700000000, -0.0002222800000000, 0.0016184000000000 ] - [ 0.0034610800000000, 0.0053000100000000, -0.0047133000000000 ] - [ 0.0000787400000000, 0.0000000000000000, 0.0004901400000000 ] - [ 0.0034610800000000, -0.0053000100000000, -0.0047133000000000 ] - [ 0.0012241400000000, 0.0000000000000000, -0.0009527000000000 ] - [ -0.0004394900000000, -0.0003267900000000, -0.0004385400000000 ] - [ -0.0004394900000000, 0.0003267900000000, -0.0004385400000000 ] - [ 0.0030553700000000, -0.0066634400000000, -0.0009691600000000 ] - [ 0.0005861400000000, 0.0000000000000000, -0.0003366700000000 ] - [ 0.0030553700000000, 0.0066634400000000, -0.0009691600000000 ] - [ 0.0476472300000000, 0.0000000000000000, -0.0188558800000000 ] - [ -0.0014397700000000, -0.0006721400000000, 0.0025482800000000 ] - [ -0.0014397700000000, 0.0006721400000000, 0.0025482800000000 ] - [ -0.0285052800000000, 0.0000000000000000, -0.0029148200000000 ] - [ -0.0006030400000000, 0.0002899900000000, -0.0004352900000000 ] - [ -0.0006030400000000, -0.0002899900000000, -0.0004352900000000 ] - [ -0.0008831800000000, 0.0001455000000000, -0.0010692500000000 ] - [ -0.0007958000000000, 0.0000000000000000, -0.0004961900000000 ] - [ -0.0008831800000000, -0.0001455000000000, -0.0010692500000000 ] - [ 0.0000881100000000, -0.0000499600000000, -0.0010813800000000 ] - [ 0.0002055100000000, 0.0000000000000000, -0.0006160600000000 ] - [ 0.0000881100000000, 0.0000499600000000, -0.0010813800000000 ] - [ -0.0003644600000000, -0.0000606000000000, -0.0003364900000000 ] - [ -0.0002238000000000, 0.0000000000000000, -0.0000482400000000 ] - [ -0.0003644600000000, 0.0000606000000000, -0.0003364900000000 ] - [ 0.0008398600000000, 0.0000000000000000, -0.0009714600000000 ] - [ 0.0007936200000000, -0.0002911600000000, -0.0007244700000000 ] - [ 0.0007936200000000, 0.0002911600000000, -0.0007244700000000 ] - [ 0.0010930200000000, 0.0001321100000000, -0.0007128100000000 ] - [ 0.0001393100000000, 0.0000000000000000, 0.0003201000000000 ] - [ 0.0010930200000000, -0.0001321100000000, -0.0007128100000000 ] - [ 0.0006980500000000, -0.0001776600000000, 0.0021319800000000 ] - [ -0.0000614100000000, 0.0000000000000000, 0.0011822100000000 ] - [ 0.0006980500000000, 0.0001776600000000, 0.0021319800000000 ] - [ 0.0031736000000000, 0.0000000000000000, 0.0005821600000000 ] - [ 0.0025027600000000, -0.0019407900000000, 0.0013205000000000 ] - [ 0.0025027600000000, 0.0019407900000000, 0.0013205000000000 ] - [ -0.0010656900000000, 0.0000000000000000, -0.0000278100000000 ] - [ -0.0008283200000000, 0.0007459900000000, 0.0003388200000000 ] - [ -0.0008283200000000, -0.0007459900000000, 0.0003388200000000 ] - [ -0.0000931600000000, 0.0001017500000000, -0.0010281100000000 ] - [ -0.0000564100000000, 0.0000000000000000, -0.0008717400000000 ] - [ -0.0000931600000000, -0.0001017500000000, -0.0010281100000000 ] - [ 0.0001531700000000, 0.0000000000000000, -0.0015708400000000 ] - [ 0.0002188400000000, 0.0000720900000000, -0.0012673900000000 ] - [ 0.0002188400000000, -0.0000720900000000, -0.0012673900000000 ] - [ -0.0004034900000000, 0.0000000000000000, -0.0003865100000000 ] - [ -0.0002698500000000, -0.0000402600000000, -0.0000694800000000 ] - [ -0.0002698500000000, 0.0000402600000000, -0.0000694800000000 ] - [ 0.0007997400000000, 0.0000000000000000, -0.0020942700000000 ] - [ 0.0007844400000000, -0.0002074500000000, -0.0018916800000000 ] - [ 0.0007844400000000, 0.0002074500000000, -0.0018916800000000 ] - [ 0.0001570900000000, -0.0002832100000000, 0.0024726200000000 ] - [ 0.0007390000000000, 0.0000000000000000, 0.0020914300000000 ] - [ 0.0001570900000000, 0.0002832100000000, 0.0024726200000000 ] - [ 0.0015084900000000, -0.0001836700000000, 0.0024823400000000 ] - [ 0.0004860500000000, 0.0000000000000000, 0.0006636600000000 ] - [ 0.0015084900000000, 0.0001836700000000, 0.0024823400000000 ] - [ 0.0033637200000000, 0.0000000000000000, 0.0001891400000000 ] - [ 0.0026051400000000, 0.0046148300000000, -0.0015125900000000 ] - [ 0.0026051400000000, -0.0046148300000000, -0.0015125900000000 ] - [ 0.0019471800000000, 0.0000253100000000, -0.0012013600000000 ] - [ 0.0000476300000000, 0.0000000000000000, -0.0007976800000000 ] - [ 0.0019471800000000, -0.0000253100000000, -0.0012013600000000 ] - [ -0.0037036400000000, 0.0000000000000000, -0.0083625900000000 ] - [ -0.0001011900000000, -0.0003456200000000, -0.0009830800000000 ] - [ -0.0001011900000000, 0.0003456200000000, -0.0009830800000000 ] - [ -0.0039119700000000, -0.0010645800000000, 0.0020931800000000 ] - [ -0.0024895600000000, 0.0000000000000000, 0.0010012200000000 ] - [ -0.0039119700000000, 0.0010645800000000, 0.0020931800000000 ] - [ 0.0007369900000000, 0.0000000000000000, -0.0029195000000000 ] - [ 0.0005618600000000, -0.0000528000000000, -0.0002235600000000 ] - [ 0.0005618600000000, 0.0000528000000000, -0.0002235600000000 ]- atom: 67 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0045339000000000, 0.0004365700000000, 0.0001498100000000 ] - [ 0.0045339000000000, -0.0004365700000000, 0.0001498100000000 ] - [ -0.0001894600000000, 0.0000000000000000, 0.0002032700000000 ] - [ -0.0004588900000000, 0.0000000000000000, -0.0009788200000000 ] - [ -0.0001930900000000, 0.0001496300000000, 0.0000272300000000 ] - [ -0.0001930900000000, -0.0001496300000000, 0.0000272300000000 ] - [ 0.0000047300000000, -0.0000255100000000, -0.0002336200000000 ] - [ 0.0000047300000000, 0.0000255100000000, -0.0002336200000000 ] - [ -0.0000103600000000, 0.0000000000000000, -0.0002181900000000 ] - [ 0.0002197100000000, 0.0000000000000000, -0.0005948700000000 ] - [ 0.0002097500000000, -0.0000175100000000, -0.0000618200000000 ] - [ 0.0002097500000000, 0.0000175100000000, -0.0000618200000000 ] - [ 0.0021006200000000, -0.0008335100000000, 0.0002515500000000 ] - [ 0.0021006200000000, 0.0008335100000000, 0.0002515500000000 ] - [ 0.0004840900000000, 0.0000000000000000, 0.0003803600000000 ] - [ 0.0019565600000000, 0.0008589300000000, 0.0008768400000000 ] - [ 0.0019565600000000, -0.0008589300000000, 0.0008768400000000 ] - [ 0.0007206500000000, 0.0000000000000000, 0.0001193200000000 ] - [ 0.0001539100000000, 0.0000000000000000, 0.0009328100000000 ] - [ 0.0001228600000000, 0.0000047500000000, 0.0007912500000000 ] - [ 0.0001228600000000, -0.0000047500000000, 0.0007912500000000 ] - [ -0.0004581100000000, 0.0000000000000000, 0.0002920000000000 ] - [ 0.0000726100000000, 0.0001926500000000, 0.0000083300000000 ] - [ 0.0000726100000000, -0.0001926500000000, 0.0000083300000000 ] - [ -0.0066881200000000, 0.0000000000000000, 0.0004184700000000 ] - [ -0.0009603200000000, 0.0013383200000000, -0.0006447900000000 ] - [ -0.0009603200000000, -0.0013383200000000, -0.0006447900000000 ] - [ -0.0008789200000000, 0.0003275600000000, -0.0002776100000000 ] - [ -0.0008789200000000, -0.0003275600000000, -0.0002776100000000 ] - [ -0.0005966300000000, 0.0000000000000000, 0.0000443000000000 ] - [ -0.0025790800000000, 0.0007513300000000, 0.0004998600000000 ] - [ -0.0025790800000000, -0.0007513300000000, 0.0004998600000000 ] - [ -0.0007829900000000, 0.0000000000000000, 0.0007113700000000 ] - [ -0.0062321800000000, 0.0068424000000000, -0.0015573300000000 ] - [ -0.0062321800000000, -0.0068424000000000, -0.0015573300000000 ] - [ -0.0001257900000000, 0.0000000000000000, -0.0017224300000000 ] - [ 0.0223869800000000, 0.0000000000000000, 0.0189488300000000 ] - [ 0.0017121700000000, -0.0005553100000000, 0.0002918300000000 ] - [ 0.0017121700000000, 0.0005553100000000, 0.0002918300000000 ] - [ -0.0009217100000000, 0.0000000000000000, 0.0014750600000000 ] - [ 0.0000050300000000, -0.0006722800000000, 0.0000928700000000 ] - [ 0.0000050300000000, 0.0006722800000000, 0.0000928700000000 ] - [ 0.0902080100000000, 0.0000000000000000, -0.0807695000000000 ] - [ 0.0016244900000000, 0.0002726300000000, -0.0009064600000000 ] - [ 0.0016244900000000, -0.0002726300000000, -0.0009064600000000 ] - [ -0.0002653900000000, -0.0007009000000000, 0.0039565900000000 ] - [ -0.0002653900000000, 0.0007009000000000, 0.0039565900000000 ] - [ -0.0001997400000000, 0.0000000000000000, 0.0006518600000000 ] - [ -0.0023405100000000, 0.0000000000000000, -0.0004113400000000 ] - [ -0.0012942700000000, 0.0002437400000000, 0.0000184000000000 ] - [ -0.0012942700000000, -0.0002437400000000, 0.0000184000000000 ] - [ -0.0003089900000000, 0.0000073900000000, -0.0005586400000000 ] - [ -0.0003089900000000, -0.0000073900000000, -0.0005586400000000 ] - [ -0.0002040800000000, 0.0000000000000000, -0.0003789600000000 ] - [ -0.0005458000000000, 0.0000000000000000, -0.0015546600000000 ] - [ 0.0006035200000000, -0.0000658300000000, -0.0002760600000000 ] - [ 0.0006035200000000, 0.0000658300000000, -0.0002760600000000 ] - [ 0.0003461800000000, -0.0000440100000000, 0.0004054700000000 ] - [ 0.0003461800000000, 0.0000440100000000, 0.0004054700000000 ] - [ 0.0004663500000000, 0.0000000000000000, 0.0005837800000000 ] - [ -0.0143099400000000, 0.0000000000000000, 0.0135890700000000 ] - [ -0.0012756700000000, -0.0003231600000000, -0.0005116800000000 ] - [ -0.0012756700000000, 0.0003231600000000, -0.0005116800000000 ] - [ -0.0009070400000000, 0.0014450200000000, -0.0039218300000000 ] - [ -0.0009070400000000, -0.0014450200000000, -0.0039218300000000 ] - [ 0.0006206400000000, 0.0000000000000000, -0.0001553600000000 ] - [ -0.1493005000000000, 0.0000000000000000, 0.0885902400000000 ] - [ -0.0010885600000000, -0.0012062600000000, 0.0006504200000000 ] - [ -0.0010885600000000, 0.0012062600000000, 0.0006504200000000 ] - [ -0.0004857200000000, 0.0000096700000000, 0.0001469300000000 ] - [ -0.0004857200000000, -0.0000096700000000, 0.0001469300000000 ] - [ -0.0005309000000000, 0.0000000000000000, 0.0001857900000000 ] - [ 0.0000810500000000, 0.0000000000000000, -0.0001461300000000 ] - [ 0.0000796500000000, 0.0000413400000000, -0.0000285000000000 ] - [ 0.0000796500000000, -0.0000413400000000, -0.0000285000000000 ] - [ 0.0000090400000000, -0.0001409400000000, -0.0013810300000000 ] - [ 0.0000090400000000, 0.0001409400000000, -0.0013810300000000 ] - [ -0.0005469200000000, 0.0000000000000000, 0.0004153000000000 ] - [ 0.0023384000000000, 0.0031862900000000, -0.0042872200000000 ] - [ 0.0023384000000000, -0.0031862900000000, -0.0042872200000000 ] - [ -0.0005608800000000, 0.0000000000000000, -0.0017707200000000 ] - [ -0.0014336000000000, 0.0000000000000000, 0.0008530600000000 ] - [ -0.0013684800000000, -0.0005237400000000, 0.0009905400000000 ] - [ -0.0013684800000000, 0.0005237400000000, 0.0009905400000000 ] - [ 0.0019865200000000, 0.0000000000000000, 0.0008077900000000 ] - [ 0.0008037400000000, -0.0001205200000000, 0.0001757500000000 ] - [ 0.0008037400000000, 0.0001205200000000, 0.0001757500000000 ] - [ 0.0003643400000000, 0.0000000000000000, 0.0007388900000000 ] - [ 0.0000916800000000, -0.0001378900000000, 0.0004685900000000 ] - [ 0.0000916800000000, 0.0001378900000000, 0.0004685900000000 ] - [ 0.0005502900000000, -0.0000382700000000, 0.0003233500000000 ] - [ 0.0005502900000000, 0.0000382700000000, 0.0003233500000000 ] - [ 0.0005802100000000, 0.0000000000000000, 0.0002089000000000 ] - [ 0.0006092200000000, 0.0000000000000000, 0.0002357400000000 ] - [ 0.0005439100000000, 0.0001757000000000, 0.0002491400000000 ] - [ 0.0005439100000000, -0.0001757000000000, 0.0002491400000000 ] - [ 0.0006835600000000, 0.0000000000000000, -0.0011457200000000 ] - [ 0.0000259100000000, 0.0003160600000000, -0.0003017300000000 ] - [ 0.0000259100000000, -0.0003160600000000, -0.0003017300000000 ] - [ 0.0010231600000000, -0.0000017000000000, 0.0002834400000000 ] - [ 0.0010231600000000, 0.0000017000000000, 0.0002834400000000 ] - [ 0.0005930300000000, 0.0000000000000000, -0.0000866500000000 ] - [ 0.0020381100000000, 0.0012623400000000, 0.0001647000000000 ] - [ 0.0020381100000000, -0.0012623400000000, 0.0001647000000000 ] - [ 0.0006300800000000, 0.0000000000000000, -0.0004075700000000 ] - [ 0.0017315600000000, 0.0000000000000000, -0.0007410200000000 ] - [ 0.0007915600000000, 0.0011657600000000, -0.0008017900000000 ] - [ 0.0007915600000000, -0.0011657600000000, -0.0008017900000000 ] - [ 0.0001288600000000, 0.0001169600000000, -0.0001960500000000 ] - [ 0.0001288600000000, -0.0001169600000000, -0.0001960500000000 ] - [ 0.0002729000000000, 0.0000000000000000, -0.0004106600000000 ] - [ -0.0000123900000000, 0.0000154800000000, 0.0006668800000000 ] - [ -0.0000123900000000, -0.0000154800000000, 0.0006668800000000 ] - [ -0.0000675900000000, 0.0000000000000000, 0.0005051900000000 ] - [ 0.0011281700000000, -0.0013924800000000, -0.0022867600000000 ] - [ 0.0011281700000000, 0.0013924800000000, -0.0022867600000000 ] - [ 0.0004278200000000, 0.0000000000000000, -0.0003965200000000 ] - [ 0.0014462600000000, 0.0000000000000000, 0.0026081200000000 ] - [ 0.0005537300000000, 0.0000478400000000, 0.0015359700000000 ] - [ 0.0005537300000000, -0.0000478400000000, 0.0015359700000000 ] - [ 0.0035189200000000, 0.0000000000000000, 0.0001427100000000 ] - [ 0.0004475600000000, 0.0002457000000000, -0.0006144900000000 ] - [ 0.0004475600000000, -0.0002457000000000, -0.0006144900000000 ] - [ 0.0008904600000000, -0.0019048100000000, 0.0015610700000000 ] - [ 0.0008904600000000, 0.0019048100000000, 0.0015610700000000 ] - [ -0.0003976900000000, 0.0000000000000000, 0.0002160000000000 ] - [ 0.0445164600000000, 0.0000000000000000, -0.0354922200000000 ] - [ -0.0011029700000000, 0.0006837900000000, -0.0000591000000000 ] - [ -0.0011029700000000, -0.0006837900000000, -0.0000591000000000 ] - [ -0.0004318100000000, -0.0001646700000000, -0.0007642000000000 ] - [ -0.0004318100000000, 0.0001646700000000, -0.0007642000000000 ] - [ -0.0001838800000000, 0.0000000000000000, -0.0007844900000000 ] - [ -0.0018549600000000, 0.0000000000000000, 0.0037127300000000 ] - [ -0.0014425800000000, -0.0000353300000000, -0.0000153100000000 ] - [ -0.0014425800000000, 0.0000353300000000, -0.0000153100000000 ] - [ 0.0007223700000000, -0.0000823300000000, 0.0003458500000000 ] - [ 0.0007223700000000, 0.0000823300000000, 0.0003458500000000 ] - [ 0.0007436800000000, 0.0000000000000000, 0.0001015300000000 ]- atom: 67 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0049665900000000, -0.0005660900000000, 0.0001322000000000 ] - [ -0.0049665900000000, 0.0005660900000000, 0.0001322000000000 ] - [ -0.0002192800000000, 0.0000000000000000, 0.0000444500000000 ] - [ 0.0002077000000000, 0.0000000000000000, 0.0014569600000000 ] - [ -0.0000362700000000, -0.0001486000000000, 0.0004404700000000 ] - [ -0.0000362700000000, 0.0001486000000000, 0.0004404700000000 ] - [ 0.0002213600000000, 0.0000254900000000, -0.0002247900000000 ] - [ 0.0002213600000000, -0.0000254900000000, -0.0002247900000000 ] - [ 0.0002369100000000, 0.0000000000000000, -0.0002454900000000 ] - [ 0.0001884700000000, 0.0000000000000000, 0.0003546500000000 ] - [ 0.0001971100000000, 0.0000176700000000, -0.0001836800000000 ] - [ 0.0001971100000000, -0.0000176700000000, -0.0001836800000000 ] - [ -0.0018800200000000, 0.0007880100000000, 0.0005878700000000 ] - [ -0.0018800200000000, -0.0007880100000000, 0.0005878700000000 ] - [ -0.0002957900000000, 0.0000000000000000, 0.0004971700000000 ] - [ -0.0009429000000000, -0.0008613900000000, -0.0011200200000000 ] - [ -0.0009429000000000, 0.0008613900000000, -0.0011200200000000 ] - [ 0.0002992900000000, 0.0000000000000000, -0.0003582500000000 ] - [ -0.0000402500000000, 0.0000000000000000, 0.0009014700000000 ] - [ -0.0000110300000000, -0.0000043500000000, 0.0010440800000000 ] - [ -0.0000110300000000, 0.0000043500000000, 0.0010440800000000 ] - [ 0.0014914000000000, 0.0000000000000000, -0.0011762000000000 ] - [ 0.0009557400000000, -0.0001938200000000, -0.0008904200000000 ] - [ 0.0009557400000000, 0.0001938200000000, -0.0008904200000000 ] - [ 0.0077720900000000, 0.0000000000000000, -0.0003252400000000 ] - [ 0.0019810900000000, -0.0013515500000000, 0.0007554000000000 ] - [ 0.0019810900000000, 0.0013515500000000, 0.0007554000000000 ] - [ -0.0001338700000000, -0.0003308900000000, 0.0001665800000000 ] - [ -0.0001338700000000, 0.0003308900000000, 0.0001665800000000 ] - [ -0.0004196800000000, 0.0000000000000000, -0.0001557900000000 ] - [ 0.0015687400000000, -0.0007643500000000, 0.0003612300000000 ] - [ 0.0015687400000000, 0.0007643500000000, 0.0003612300000000 ] - [ -0.0002419200000000, 0.0000000000000000, 0.0001586300000000 ] - [ 0.0061248800000000, -0.0068266200000000, -0.0002965900000000 ] - [ 0.0061248800000000, 0.0068266200000000, -0.0002965900000000 ] - [ 0.0000214300000000, 0.0000000000000000, -0.0001179300000000 ] - [ -0.0231674800000000, 0.0000000000000000, -0.0180071100000000 ] - [ -0.0027329500000000, 0.0005562700000000, -0.0000505100000000 ] - [ -0.0027329500000000, -0.0005562700000000, -0.0000505100000000 ] - [ 0.0007355400000000, 0.0000000000000000, -0.0023348400000000 ] - [ -0.0001875600000000, 0.0006700300000000, -0.0009615900000000 ] - [ -0.0001875600000000, -0.0006700300000000, -0.0009615900000000 ] - [ -0.0903091800000000, 0.0000000000000000, 0.0777801300000000 ] - [ -0.0017452700000000, -0.0002716100000000, 0.0006173500000000 ] - [ -0.0017452700000000, 0.0002716100000000, 0.0006173500000000 ] - [ -0.0007208600000000, 0.0007034000000000, -0.0034523200000000 ] - [ -0.0007208600000000, -0.0007034000000000, -0.0034523200000000 ] - [ -0.0007836900000000, 0.0000000000000000, -0.0001263200000000 ] - [ 0.0025755400000000, 0.0000000000000000, 0.0010248200000000 ] - [ 0.0015234400000000, -0.0002433800000000, 0.0005883300000000 ] - [ 0.0015234400000000, 0.0002433800000000, 0.0005883300000000 ] - [ 0.0000786400000000, -0.0000067800000000, -0.0000507100000000 ] - [ 0.0000786400000000, 0.0000067800000000, -0.0000507100000000 ] - [ -0.0000259600000000, 0.0000000000000000, -0.0002233600000000 ] - [ 0.0015065200000000, 0.0000000000000000, 0.0010481100000000 ] - [ 0.0003782300000000, 0.0000667900000000, -0.0002567400000000 ] - [ 0.0003782300000000, -0.0000667900000000, -0.0002567400000000 ] - [ -0.0002158900000000, 0.0000441300000000, -0.0001141100000000 ] - [ -0.0002158900000000, -0.0000441300000000, -0.0001141100000000 ] - [ -0.0003340100000000, 0.0000000000000000, -0.0002910300000000 ] - [ 0.0128422200000000, 0.0000000000000000, -0.0145601000000000 ] - [ -0.0002270200000000, 0.0003204300000000, -0.0008515300000000 ] - [ -0.0002270200000000, -0.0003204300000000, -0.0008515300000000 ] - [ 0.0034459600000000, -0.0014829300000000, 0.0039015900000000 ] - [ 0.0034459600000000, 0.0014829300000000, 0.0039015900000000 ] - [ 0.0019091600000000, 0.0000000000000000, 0.0001177300000000 ] - [ 0.1485733100000000, 0.0000000000000000, -0.0853260500000000 ] - [ 0.0012898200000000, 0.0012017100000000, 0.0003352800000000 ] - [ 0.0012898200000000, -0.0012017100000000, 0.0003352800000000 ] - [ -0.0000086300000000, -0.0000093900000000, 0.0002333700000000 ] - [ -0.0000086300000000, 0.0000093900000000, 0.0002333700000000 ] - [ 0.0000360500000000, 0.0000000000000000, 0.0001957000000000 ] - [ 0.0003520400000000, 0.0000000000000000, 0.0001282100000000 ] - [ 0.0003531200000000, -0.0000407600000000, 0.0000102600000000 ] - [ 0.0003531200000000, 0.0000407600000000, 0.0000102600000000 ] - [ -0.0010712700000000, 0.0001431500000000, 0.0025816400000000 ] - [ -0.0010712700000000, -0.0001431500000000, 0.0025816400000000 ] - [ -0.0005132700000000, 0.0000000000000000, 0.0007745500000000 ] - [ -0.0034577200000000, -0.0032220500000000, 0.0011970400000000 ] - [ -0.0034577200000000, 0.0032220500000000, 0.0011970400000000 ] - [ -0.0005376600000000, 0.0000000000000000, -0.0013423400000000 ] - [ -0.0002092900000000, 0.0000000000000000, 0.0003751900000000 ] - [ -0.0002750800000000, 0.0005049200000000, 0.0002422100000000 ] - [ -0.0002750800000000, -0.0005049200000000, 0.0002422100000000 ] - [ -0.0016492400000000, 0.0000000000000000, -0.0018300900000000 ] - [ -0.0004623000000000, 0.0001210600000000, -0.0011889400000000 ] - [ -0.0004623000000000, -0.0001210600000000, -0.0011889400000000 ] - [ -0.0009619100000000, 0.0000000000000000, 0.0002484700000000 ] - [ -0.0006877600000000, 0.0001381100000000, 0.0005227300000000 ] - [ -0.0006877600000000, -0.0001381100000000, 0.0005227300000000 ] - [ 0.0005142400000000, 0.0000376400000000, -0.0000483300000000 ] - [ 0.0005142400000000, -0.0000376400000000, -0.0000483300000000 ] - [ 0.0004853100000000, 0.0000000000000000, 0.0000609300000000 ] - [ 0.0000728700000000, 0.0000000000000000, 0.0005328500000000 ] - [ 0.0001395100000000, -0.0001775600000000, 0.0005190400000000 ] - [ 0.0001395100000000, 0.0001775600000000, 0.0005190400000000 ] - [ -0.0015962100000000, 0.0000000000000000, 0.0011798900000000 ] - [ -0.0009353300000000, -0.0003183900000000, 0.0003268400000000 ] - [ -0.0009353300000000, 0.0003183900000000, 0.0003268400000000 ] - [ -0.0001217400000000, 0.0000022800000000, -0.0003015000000000 ] - [ -0.0001217400000000, -0.0000022800000000, -0.0003015000000000 ] - [ 0.0003118400000000, 0.0000000000000000, 0.0000684400000000 ] - [ -0.0027311700000000, -0.0012733600000000, -0.0009259400000000 ] - [ -0.0027311700000000, 0.0012733600000000, -0.0009259400000000 ] - [ -0.0013210700000000, 0.0000000000000000, -0.0003559000000000 ] - [ -0.0027941600000000, 0.0000000000000000, 0.0004687700000000 ] - [ -0.0018568000000000, -0.0011629500000000, 0.0005284800000000 ] - [ -0.0018568000000000, 0.0011629500000000, 0.0005284800000000 ] - [ 0.0004689300000000, -0.0001111300000000, -0.0007923100000000 ] - [ 0.0004689300000000, 0.0001111300000000, -0.0007923100000000 ] - [ 0.0003236100000000, 0.0000000000000000, -0.0005869500000000 ] - [ -0.0003261300000000, -0.0000157100000000, 0.0003456500000000 ] - [ -0.0003261300000000, 0.0000157100000000, 0.0003456500000000 ] - [ -0.0002744700000000, 0.0000000000000000, 0.0005056500000000 ] - [ 0.0005025000000000, 0.0013818200000000, 0.0010525500000000 ] - [ 0.0005025000000000, -0.0013818200000000, 0.0010525500000000 ] - [ 0.0012010100000000, 0.0000000000000000, -0.0008275400000000 ] - [ -0.0003447600000000, 0.0000000000000000, 0.0004937700000000 ] - [ 0.0005484800000000, -0.0000484200000000, 0.0015816500000000 ] - [ 0.0005484800000000, 0.0000484200000000, 0.0015816500000000 ] - [ -0.0025057200000000, 0.0000000000000000, -0.0013637400000000 ] - [ 0.0006100100000000, -0.0002462600000000, -0.0005702200000000 ] - [ 0.0006100100000000, 0.0002462600000000, -0.0005702200000000 ] - [ -0.0013162300000000, 0.0018895000000000, -0.0015173400000000 ] - [ -0.0013162300000000, -0.0018895000000000, -0.0015173400000000 ] - [ -0.0000361200000000, 0.0000000000000000, -0.0001963100000000 ] - [ -0.0433719000000000, 0.0000000000000000, 0.0343838400000000 ] - [ 0.0015880700000000, -0.0006847400000000, -0.0003209600000000 ] - [ 0.0015880700000000, 0.0006847400000000, -0.0003209600000000 ] - [ 0.0002329800000000, 0.0001653800000000, -0.0002231500000000 ] - [ 0.0002329800000000, -0.0001653800000000, -0.0002231500000000 ] - [ -0.0000167900000000, 0.0000000000000000, -0.0002042200000000 ] - [ -0.0006619500000000, 0.0000000000000000, -0.0036809800000000 ] - [ -0.0010848000000000, 0.0000358800000000, 0.0000542900000000 ] - [ -0.0010848000000000, -0.0000358800000000, 0.0000542900000000 ] - [ 0.0007783300000000, 0.0000820200000000, 0.0010081600000000 ] - [ 0.0007783300000000, -0.0000820200000000, 0.0010081600000000 ] - [ 0.0007574500000000, 0.0000000000000000, 0.0012502700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021311700000000, 0.0108061000000000, -0.0004995400000000 ] - [ -0.0029471900000000, 0.0117331400000000, 0.0009169300000000 ] - [ -0.0002010800000000, -0.0012121700000000, 0.0001212000000000 ] - [ -0.0001210500000000, 0.0002391300000000, 0.0002281300000000 ] - [ 0.0000309800000000, -0.0001097600000000, 0.0005124400000000 ] - [ -0.0002585700000000, -0.0001111000000000, -0.0000524200000000 ] - [ 0.0001151600000000, -0.0000004500000000, -0.0002159400000000 ] - [ 0.0001144800000000, 0.0000000500000000, -0.0002281400000000 ] - [ 0.0001135700000000, -0.0000032200000000, -0.0002356800000000 ] - [ 0.0002042100000000, 0.0001184900000000, -0.0001189400000000 ] - [ 0.0001911900000000, -0.0000599000000000, -0.0001897700000000 ] - [ 0.0002155200000000, -0.0000602500000000, -0.0000577100000000 ] - [ 0.0001447500000000, 0.0011745200000000, 0.0003019700000000 ] - [ 0.0000515200000000, 0.0012312000000000, 0.0005524900000000 ] - [ 0.0000887700000000, -0.0004394400000000, 0.0004470200000000 ] - [ 0.0005580400000000, 0.0003794800000000, 0.0015063700000000 ] - [ 0.0004495100000000, 0.0003901600000000, -0.0017559000000000 ] - [ 0.0005105400000000, -0.0006680500000000, -0.0001220300000000 ] - [ 0.0000562500000000, -0.0001097500000000, 0.0009159300000000 ] - [ 0.0000118400000000, 0.0000310200000000, 0.0004555300000000 ] - [ 0.0000981700000000, 0.0000297100000000, 0.0013799600000000 ] - [ 0.0005170900000000, 0.0011902200000000, -0.0004413900000000 ] - [ 0.0008077600000000, -0.0005858700000000, -0.0007731600000000 ] - [ 0.0002210400000000, -0.0005855200000000, -0.0001098500000000 ] - [ 0.0005158700000000, 0.0028232800000000, 0.0000594800000000 ] - [ 0.0018146700000000, -0.0013087700000000, 0.0004805800000000 ] - [ -0.0007863700000000, -0.0013064900000000, -0.0003681000000000 ] - [ -0.0004871800000000, 0.0001341600000000, 0.0002103900000000 ] - [ -0.0005247300000000, 0.0001402000000000, -0.0003226700000000 ] - [ -0.0005085700000000, -0.0002602700000000, -0.0000561800000000 ] - [ 0.0006986000000000, 0.0004022800000000, 0.0010245900000000 ] - [ -0.0017205100000000, 0.0004190300000000, -0.0001634300000000 ] - [ -0.0005156300000000, -0.0007600700000000, 0.0004353400000000 ] - [ 0.0009464700000000, 0.0008932200000000, -0.0028145600000000 ] - [ -0.0010391900000000, 0.0009504300000000, 0.0009920700000000 ] - [ -0.0000621400000000, -0.0007789300000000, -0.0009155200000000 ] - [ -0.0005818500000000, 0.0131930400000000, 0.0000222900000000 ] - [ -0.0024633900000000, -0.0033138500000000, -0.0019100400000000 ] - [ 0.0014160700000000, -0.0032993500000000, 0.0021113800000000 ] - [ -0.0000880600000000, -0.0001264300000000, -0.0004424200000000 ] - [ 0.0001780700000000, 0.0000886600000000, -0.0004026700000000 ] - [ -0.0003609600000000, 0.0000814300000000, -0.0004672400000000 ] - [ -0.0004591100000000, 0.0504751500000000, 0.0005424600000000 ] - [ -0.0015715200000000, -0.0010612100000000, 0.0027300000000000 ] - [ 0.0014251500000000, -0.0010381000000000, -0.0029741300000000 ] - [ -0.0025442300000000, 0.0000093400000000, 0.0023463200000000 ] - [ 0.0015804300000000, 0.0000080800000000, -0.0018299100000000 ] - [ -0.0004882700000000, -0.0001099700000000, 0.0002614700000000 ] - [ 0.0001166400000000, -0.0000785400000000, 0.0003020700000000 ] - [ 0.0006081800000000, -0.0000210800000000, 0.0005427600000000 ] - [ -0.0003747700000000, -0.0000200300000000, 0.0000649000000000 ] - [ 0.0000593000000000, -0.0000340200000000, -0.0003193700000000 ] - [ -0.0002891300000000, -0.0000344800000000, -0.0002885200000000 ] - [ -0.0001142200000000, 0.0000176200000000, -0.0002993900000000 ] - [ 0.0004910400000000, -0.0000025500000000, -0.0002540800000000 ] - [ 0.0004276700000000, 0.0000178800000000, -0.0005955000000000 ] - [ 0.0005540500000000, 0.0000168000000000, 0.0000588900000000 ] - [ -0.0001421400000000, 0.0000112300000000, 0.0004233800000000 ] - [ 0.0002695600000000, 0.0000104300000000, -0.0001351200000000 ] - [ 0.0000645700000000, -0.0000310600000000, 0.0001434300000000 ] - [ -0.0007520500000000, -0.0177511800000000, -0.0005249600000000 ] - [ -0.0005879800000000, 0.0004052700000000, -0.0020693900000000 ] - [ -0.0009109900000000, 0.0004026400000000, 0.0006863900000000 ] - [ 0.0013149900000000, 0.0013975900000000, -0.0053880500000000 ] - [ 0.0011971900000000, 0.0014152400000000, 0.0054177500000000 ] - [ 0.0012615600000000, 0.0008997700000000, -0.0000148500000000 ] - [ 0.0011125200000000, -0.0587931800000000, -0.0006015400000000 ] - [ 0.0013171800000000, 0.0037914300000000, -0.0000499400000000 ] - [ -0.0011041800000000, 0.0037428200000000, 0.0010332800000000 ] - [ -0.0001292100000000, 0.0000192000000000, 0.0001113800000000 ] - [ -0.0003619800000000, 0.0000184100000000, 0.0002698600000000 ] - [ -0.0002458300000000, -0.0000981300000000, 0.0001915300000000 ] - [ 0.0002160900000000, -0.0008636600000000, -0.0000084600000000 ] - [ 0.0001293700000000, 0.0004015200000000, 0.0001040100000000 ] - [ 0.0003036300000000, 0.0004030400000000, -0.0001220100000000 ] - [ 0.0007290600000000, -0.0002659200000000, -0.0011883800000000 ] - [ -0.0017973600000000, -0.0002657800000000, 0.0023907700000000 ] - [ -0.0005311900000000, 0.0001476300000000, 0.0005967100000000 ] - [ 0.0026071300000000, 0.0010024900000000, -0.0030671200000000 ] - [ -0.0037323600000000, 0.0010019700000000, -0.0000368400000000 ] - [ -0.0005530300000000, 0.0004817600000000, -0.0015560900000000 ] - [ -0.0008187300000000, 0.0001897400000000, 0.0006157600000000 ] - [ -0.0012349900000000, -0.0008341600000000, 0.0011700400000000 ] - [ -0.0004051600000000, -0.0008092300000000, 0.0000608400000000 ] - [ 0.0001715900000000, -0.0001953500000000, -0.0005087800000000 ] - [ -0.0001259900000000, 0.0000667100000000, -0.0008591300000000 ] - [ 0.0004646200000000, 0.0000667500000000, -0.0001551700000000 ] - [ -0.0002998200000000, 0.0000197300000000, 0.0004977700000000 ] - [ -0.0004973200000000, 0.0000238200000000, 0.0004131000000000 ] - [ -0.0001022600000000, 0.0000219700000000, 0.0005816000000000 ] - [ 0.0003723100000000, 0.0000704200000000, -0.0000738000000000 ] - [ 0.0006922500000000, 0.0000708400000000, 0.0003494200000000 ] - [ 0.0005325300000000, -0.0000727800000000, 0.0001335300000000 ] - [ 0.0003416400000000, -0.0001157300000000, 0.0003849500000000 ] - [ 0.0003036800000000, 0.0000609000000000, 0.0005416100000000 ] - [ 0.0003798200000000, 0.0000637800000000, 0.0002284000000000 ] - [ -0.0004530000000000, -0.0011620100000000, 0.0000111900000000 ] - [ -0.0006168500000000, 0.0005228300000000, 0.0000213500000000 ] - [ -0.0002904200000000, 0.0005254100000000, 0.0000015900000000 ] - [ 0.0001048700000000, -0.0001864400000000, -0.0007178800000000 ] - [ 0.0007963800000000, -0.0001887900000000, 0.0007042200000000 ] - [ 0.0004527100000000, 0.0004234200000000, -0.0000081100000000 ] - [ -0.0003030700000000, -0.0004142600000000, -0.0000088800000000 ] - [ -0.0003920200000000, -0.0004135700000000, -0.0007595500000000 ] - [ -0.0003437800000000, 0.0009440300000000, -0.0003825200000000 ] - [ -0.0005360800000000, -0.0000918500000000, -0.0001346400000000 ] - [ -0.0008711800000000, -0.0001601400000000, -0.0000038100000000 ] - [ -0.0001981000000000, -0.0001517900000000, -0.0002658300000000 ] - [ 0.0001353300000000, -0.0000649000000000, -0.0004356200000000 ] - [ 0.0004656100000000, -0.0000710200000000, -0.0005566800000000 ] - [ 0.0002985000000000, 0.0000998500000000, -0.0005015100000000 ] - [ -0.0002610200000000, 0.0000015200000000, 0.0004050500000000 ] - [ -0.0000788100000000, 0.0000015000000000, 0.0006073300000000 ] - [ -0.0001727500000000, 0.0000047600000000, 0.0005053500000000 ] - [ 0.0010792200000000, -0.0003515000000000, -0.0005960100000000 ] - [ 0.0005447000000000, -0.0003631500000000, -0.0006227100000000 ] - [ 0.0008173900000000, 0.0000601000000000, -0.0006156700000000 ] - [ 0.0005464500000000, -0.0000962700000000, 0.0015497300000000 ] - [ 0.0007075400000000, 0.0000267200000000, 0.0018207700000000 ] - [ 0.0003956900000000, 0.0000278400000000, 0.0012992600000000 ] - [ 0.0005029800000000, 0.0002156400000000, -0.0006053900000000 ] - [ 0.0009276400000000, 0.0001961200000000, -0.0002593800000000 ] - [ 0.0001346100000000, 0.0001974500000000, -0.0009209000000000 ] - [ -0.0035260800000000, 0.0002086900000000, -0.0032807800000000 ] - [ 0.0031470000000000, 0.0002102300000000, 0.0033300200000000 ] - [ -0.0002124300000000, 0.0016733700000000, 0.0000101600000000 ] - [ 0.0001144300000000, -0.0179491100000000, -0.0000914400000000 ] - [ 0.0017457600000000, 0.0002363700000000, -0.0006386000000000 ] - [ -0.0012321700000000, 0.0002380300000000, 0.0002511900000000 ] - [ -0.0002580100000000, -0.0000387400000000, -0.0009686100000000 ] - [ 0.0000604800000000, -0.0000414200000000, -0.0000160100000000 ] - [ -0.0001004600000000, 0.0001210900000000, -0.0004916600000000 ] - [ -0.0012590000000000, -0.0000432700000000, 0.0000001200000000 ] - [ -0.0012699900000000, 0.0001539800000000, 0.0003763200000000 ] - [ -0.0012568200000000, 0.0001542400000000, -0.0003331900000000 ] - [ 0.0007691500000000, 0.0000185100000000, 0.0004974800000000 ] - [ 0.0007309200000000, 0.0000169300000000, 0.0008599900000000 ] - [ 0.0007499200000000, -0.0000955200000000, 0.0006796300000000 ]- atom: 67 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0020622400000000, -0.0018020600000000, 0.0059924000000000 ] - [ -0.0020622400000000, 0.0018020600000000, 0.0059924000000000 ] - [ -0.0002673100000000, 0.0000000000000000, 0.0007431800000000 ] - [ -0.0041745700000000, 0.0000000000000000, -0.0012060200000000 ] - [ -0.0005226500000000, 0.0004841400000000, 0.0004740400000000 ] - [ -0.0005226500000000, -0.0004841400000000, 0.0004740400000000 ] - [ -0.0000072000000000, -0.0000476800000000, -0.0005953800000000 ] - [ -0.0000072000000000, 0.0000476800000000, -0.0005953800000000 ] - [ 0.0002265000000000, 0.0000000000000000, -0.0004622900000000 ] - [ 0.0002638500000000, 0.0000000000000000, -0.0013517800000000 ] - [ 0.0002317400000000, -0.0001809900000000, -0.0006095200000000 ] - [ 0.0002317400000000, 0.0001809900000000, -0.0006095200000000 ] - [ 0.0041159000000000, -0.0106135000000000, -0.0081276800000000 ] - [ 0.0041159000000000, 0.0106135000000000, -0.0081276800000000 ] - [ -0.0008232500000000, 0.0000000000000000, 0.0010895600000000 ] - [ 0.0018893900000000, 0.0018217000000000, -0.0038988400000000 ] - [ 0.0018893900000000, -0.0018217000000000, -0.0038988400000000 ] - [ 0.0002812300000000, 0.0000000000000000, -0.0013510200000000 ] - [ 0.0002904600000000, 0.0000000000000000, -0.0039530500000000 ] - [ -0.0002043500000000, 0.0001677000000000, -0.0032715200000000 ] - [ -0.0002043500000000, -0.0001677000000000, -0.0032715200000000 ] - [ 0.0012632700000000, 0.0000000000000000, -0.0020774000000000 ] - [ 0.0010204900000000, -0.0008178900000000, -0.0015728100000000 ] - [ 0.0010204900000000, 0.0008178900000000, -0.0015728100000000 ] - [ 0.0030452500000000, 0.0000000000000000, 0.0045541100000000 ] - [ 0.0013564600000000, -0.0007776700000000, 0.0028912800000000 ] - [ 0.0013564600000000, 0.0007776700000000, 0.0028912800000000 ] - [ -0.0013521000000000, 0.0008976300000000, -0.0031824800000000 ] - [ -0.0013521000000000, -0.0008976300000000, -0.0031824800000000 ] - [ -0.0005789800000000, 0.0000000000000000, -0.0019664000000000 ] - [ -0.0039013700000000, 0.0027957700000000, 0.0023037800000000 ] - [ -0.0039013700000000, -0.0027957700000000, 0.0023037800000000 ] - [ -0.0008152400000000, 0.0000000000000000, 0.0008130200000000 ] - [ 0.0071976300000000, -0.0084950100000000, 0.0045005400000000 ] - [ 0.0071976300000000, 0.0084950100000000, 0.0045005400000000 ] - [ 0.0001793200000000, 0.0000000000000000, 0.0023205000000000 ] - [ -0.0049991000000000, 0.0000000000000000, 0.0197084500000000 ] - [ -0.0011640600000000, -0.0035615300000000, 0.0011256000000000 ] - [ -0.0011640600000000, 0.0035615300000000, 0.0011256000000000 ] - [ 0.0023071200000000, 0.0000000000000000, -0.0027467900000000 ] - [ 0.0013671800000000, 0.0007963900000000, -0.0010106500000000 ] - [ 0.0013671800000000, -0.0007963900000000, -0.0010106500000000 ] - [ -0.0864807400000000, 0.0000000000000000, 0.1962159400000000 ] - [ -0.0001765700000000, 0.0000876800000000, 0.0034055300000000 ] - [ -0.0001765700000000, -0.0000876800000000, 0.0034055300000000 ] - [ 0.0045528900000000, 0.0002652100000000, -0.0008466800000000 ] - [ 0.0045528900000000, -0.0002652100000000, -0.0008466800000000 ] - [ 0.0000949600000000, 0.0000000000000000, 0.0007614400000000 ] - [ 0.0011467100000000, 0.0000000000000000, 0.0004654100000000 ] - [ 0.0015409700000000, -0.0002747200000000, 0.0009580200000000 ] - [ 0.0015409700000000, 0.0002747200000000, 0.0009580200000000 ] - [ -0.0013372900000000, 0.0000742200000000, -0.0029835300000000 ] - [ -0.0013372900000000, -0.0000742200000000, -0.0029835300000000 ] - [ -0.0008553800000000, 0.0000000000000000, -0.0012189500000000 ] - [ 0.0011430700000000, 0.0000000000000000, -0.0068736400000000 ] - [ 0.0001515800000000, -0.0001626000000000, -0.0012387800000000 ] - [ 0.0001515800000000, 0.0001626000000000, -0.0012387800000000 ] - [ 0.0008685500000000, 0.0000294400000000, -0.0022719800000000 ] - [ 0.0008685500000000, -0.0000294400000000, -0.0022719800000000 ] - [ 0.0005481400000000, 0.0000000000000000, -0.0016262200000000 ] - [ 0.0038505700000000, 0.0000000000000000, 0.0733575100000000 ] - [ -0.0010505600000000, -0.0009961300000000, -0.0028859300000000 ] - [ -0.0010505600000000, 0.0009961300000000, -0.0028859300000000 ] - [ -0.0010040700000000, -0.0056547300000000, 0.0054508200000000 ] - [ -0.0010040700000000, 0.0056547300000000, 0.0054508200000000 ] - [ 0.0007670400000000, 0.0000000000000000, -0.0001408600000000 ] - [ 0.1191923900000000, 0.0000000000000000, -0.3264346300000000 ] - [ 0.0005597900000000, 0.0007961500000000, -0.0022441200000000 ] - [ 0.0005597900000000, -0.0007961500000000, -0.0022441200000000 ] - [ -0.0009512900000000, 0.0001122300000000, 0.0011915600000000 ] - [ -0.0009512900000000, -0.0001122300000000, 0.0011915600000000 ] - [ -0.0007788500000000, 0.0000000000000000, 0.0013365700000000 ] - [ -0.0008782300000000, 0.0000000000000000, 0.0015979200000000 ] - [ -0.0005551100000000, 0.0009927200000000, 0.0014948000000000 ] - [ -0.0005551100000000, -0.0009927200000000, 0.0014948000000000 ] - [ -0.0024514200000000, 0.0003224600000000, 0.0024624600000000 ] - [ -0.0024514200000000, -0.0003224600000000, 0.0024624600000000 ] - [ -0.0004197300000000, 0.0000000000000000, 0.0005953900000000 ] - [ -0.0041727800000000, -0.0020537700000000, -0.0027359300000000 ] - [ -0.0041727800000000, 0.0020537700000000, -0.0027359300000000 ] - [ -0.0009957900000000, 0.0000000000000000, -0.0022555400000000 ] - [ -0.0019810700000000, 0.0000000000000000, 0.0042165000000000 ] - [ -0.0025636900000000, -0.0043125200000000, 0.0042193000000000 ] - [ -0.0025636900000000, 0.0043125200000000, 0.0042193000000000 ] - [ 0.0008444600000000, 0.0000000000000000, -0.0026385500000000 ] - [ -0.0001772100000000, -0.0001259400000000, -0.0021507200000000 ] - [ -0.0001772100000000, 0.0001259400000000, -0.0021507200000000 ] - [ -0.0007821800000000, 0.0000000000000000, 0.0004149900000000 ] - [ -0.0009368600000000, 0.0000781900000000, 0.0002956900000000 ] - [ -0.0009368600000000, -0.0000781900000000, 0.0002956900000000 ] - [ 0.0008159900000000, -0.0001519700000000, 0.0025861800000000 ] - [ 0.0008159900000000, 0.0001519700000000, 0.0025861800000000 ] - [ 0.0009875200000000, 0.0000000000000000, 0.0010042200000000 ] - [ 0.0009725600000000, 0.0000000000000000, 0.0019739700000000 ] - [ 0.0010296500000000, 0.0002804100000000, 0.0015681400000000 ] - [ 0.0010296500000000, -0.0002804100000000, 0.0015681400000000 ] - [ 0.0004758500000000, 0.0000000000000000, -0.0009790700000000 ] - [ 0.0003759800000000, 0.0009079300000000, -0.0003375800000000 ] - [ 0.0003759800000000, -0.0009079300000000, -0.0003375800000000 ] - [ 0.0005204500000000, -0.0006726600000000, 0.0011476400000000 ] - [ 0.0005204500000000, 0.0006726600000000, 0.0011476400000000 ] - [ -0.0001363100000000, 0.0000000000000000, 0.0005603300000000 ] - [ -0.0020682700000000, -0.0005850200000000, -0.0027865300000000 ] - [ -0.0020682700000000, 0.0005850200000000, -0.0027865300000000 ] - [ -0.0012520200000000, 0.0000000000000000, -0.0013765500000000 ] - [ -0.0017288000000000, 0.0000000000000000, -0.0003263200000000 ] - [ -0.0019260900000000, -0.0013912100000000, 0.0001797600000000 ] - [ -0.0019260900000000, 0.0013912100000000, 0.0001797600000000 ] - [ 0.0013235900000000, 0.0010267500000000, 0.0019634500000000 ] - [ 0.0013235900000000, -0.0010267500000000, 0.0019634500000000 ] - [ 0.0006908700000000, 0.0000000000000000, 0.0001840200000000 ] - [ 0.0008803800000000, 0.0000076500000000, 0.0028941400000000 ] - [ 0.0008803800000000, -0.0000076500000000, 0.0028941400000000 ] - [ 0.0002784400000000, 0.0000000000000000, 0.0017761500000000 ] - [ -0.0012901400000000, 0.0012217500000000, -0.0005546100000000 ] - [ -0.0012901400000000, -0.0012217500000000, -0.0005546100000000 ] - [ 0.0005630300000000, 0.0000000000000000, -0.0018295900000000 ] - [ 0.0023404700000000, 0.0000000000000000, 0.0059320300000000 ] - [ 0.0010735300000000, 0.0000940000000000, 0.0024331600000000 ] - [ 0.0010735300000000, -0.0000940000000000, 0.0024331600000000 ] - [ 0.0115987000000000, 0.0000000000000000, 0.0071467800000000 ] - [ 0.0004884500000000, 0.0002993500000000, -0.0001367000000000 ] - [ 0.0004884500000000, -0.0002993500000000, -0.0001367000000000 ] - [ 0.0028642200000000, -0.0041482600000000, -0.0052584700000000 ] - [ 0.0028642200000000, 0.0041482600000000, -0.0052584700000000 ] - [ 0.0007618300000000, 0.0000000000000000, -0.0016789400000000 ] - [ -0.0524745400000000, 0.0000000000000000, 0.0175649600000000 ] - [ 0.0008055800000000, -0.0007188900000000, -0.0014086700000000 ] - [ 0.0008055800000000, 0.0007188900000000, -0.0014086700000000 ] - [ -0.0003137900000000, -0.0004255200000000, 0.0019618500000000 ] - [ -0.0003137900000000, 0.0004255200000000, 0.0019618500000000 ] - [ -0.0003811000000000, 0.0000000000000000, 0.0011123200000000 ] - [ -0.0030340800000000, 0.0000000000000000, 0.0066187100000000 ] - [ -0.0011135300000000, 0.0004064900000000, 0.0005388700000000 ] - [ -0.0011135300000000, -0.0004064900000000, 0.0005388700000000 ] - [ 0.0007943200000000, 0.0001752700000000, 0.0022769800000000 ] - [ 0.0007943200000000, -0.0001752700000000, 0.0022769800000000 ] - [ 0.0006794700000000, 0.0000000000000000, 0.0020158500000000 ]- atom: 67 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0016534100000000, 0.0017380600000000, -0.0057409400000000 ] - [ 0.0016534100000000, -0.0017380600000000, -0.0057409400000000 ] - [ -0.0001416800000000, 0.0000000000000000, -0.0004948100000000 ] - [ 0.0039669300000000, 0.0000000000000000, 0.0016551000000000 ] - [ 0.0002954500000000, -0.0004849200000000, -0.0000206300000000 ] - [ 0.0002954500000000, 0.0004849200000000, -0.0000206300000000 ] - [ 0.0002345000000000, 0.0000474500000000, 0.0001375600000000 ] - [ 0.0002345000000000, -0.0000474500000000, 0.0001375600000000 ] - [ 0.0000008400000000, 0.0000000000000000, -0.0000036700000000 ] - [ 0.0001434800000000, 0.0000000000000000, 0.0011108200000000 ] - [ 0.0001744400000000, 0.0001810900000000, 0.0003640500000000 ] - [ 0.0001744400000000, -0.0001810900000000, 0.0003640500000000 ] - [ -0.0039646100000000, 0.0106949400000000, 0.0090432700000000 ] - [ -0.0039646100000000, -0.0106949400000000, 0.0090432700000000 ] - [ 0.0010230100000000, 0.0000000000000000, -0.0002336400000000 ] - [ -0.0008696900000000, -0.0018264100000000, 0.0036669600000000 ] - [ -0.0008696900000000, 0.0018264100000000, 0.0036669600000000 ] - [ 0.0007393100000000, 0.0000000000000000, 0.0011213000000000 ] - [ -0.0001793300000000, 0.0000000000000000, 0.0058153800000000 ] - [ 0.0003174400000000, -0.0001690700000000, 0.0051309400000000 ] - [ 0.0003174400000000, 0.0001690700000000, 0.0051309400000000 ] - [ -0.0002365900000000, 0.0000000000000000, 0.0012136500000000 ] - [ 0.0000051000000000, 0.0008191400000000, 0.0007052400000000 ] - [ 0.0000051000000000, -0.0008191400000000, 0.0007052400000000 ] - [ -0.0020875200000000, 0.0000000000000000, -0.0044410500000000 ] - [ -0.0003517100000000, 0.0007898500000000, -0.0027890800000000 ] - [ -0.0003517100000000, -0.0007898500000000, -0.0027890800000000 ] - [ 0.0003363600000000, -0.0008955500000000, 0.0030840200000000 ] - [ 0.0003363600000000, 0.0008955500000000, 0.0030840200000000 ] - [ -0.0004359200000000, 0.0000000000000000, 0.0018651500000000 ] - [ 0.0028712000000000, -0.0027891800000000, -0.0014148900000000 ] - [ 0.0028712000000000, 0.0027891800000000, -0.0014148900000000 ] - [ -0.0002108100000000, 0.0000000000000000, 0.0000666400000000 ] - [ -0.0073145000000000, 0.0085125300000000, -0.0063649500000000 ] - [ -0.0073145000000000, -0.0085125300000000, -0.0063649500000000 ] - [ -0.0002862700000000, 0.0000000000000000, -0.0041766600000000 ] - [ 0.0047112700000000, 0.0000000000000000, -0.0184517700000000 ] - [ 0.0001505100000000, 0.0035694800000000, -0.0008648200000000 ] - [ 0.0001505100000000, -0.0035694800000000, -0.0008648200000000 ] - [ -0.0025085200000000, 0.0000000000000000, 0.0018728900000000 ] - [ -0.0015644400000000, -0.0007984600000000, 0.0001351400000000 ] - [ -0.0015644400000000, 0.0007984600000000, 0.0001351400000000 ] - [ 0.0948928100000000, 0.0000000000000000, -0.2124249200000000 ] - [ 0.0000627400000000, -0.0000761900000000, -0.0037341000000000 ] - [ 0.0000627400000000, 0.0000761900000000, -0.0037341000000000 ] - [ -0.0055076800000000, -0.0002710200000000, 0.0014158800000000 ] - [ -0.0055076800000000, 0.0002710200000000, 0.0014158800000000 ] - [ -0.0010782300000000, 0.0000000000000000, -0.0002235200000000 ] - [ -0.0009363900000000, 0.0000000000000000, 0.0001246400000000 ] - [ -0.0013208200000000, 0.0002757100000000, -0.0003630200000000 ] - [ -0.0013208200000000, -0.0002757100000000, -0.0003630200000000 ] - [ 0.0011156100000000, -0.0000748400000000, 0.0023905400000000 ] - [ 0.0011156100000000, 0.0000748400000000, 0.0023905400000000 ] - [ 0.0006315700000000, 0.0000000000000000, 0.0006175800000000 ] - [ -0.0001395600000000, 0.0000000000000000, 0.0063179200000000 ] - [ 0.0008295300000000, 0.0001619400000000, 0.0007148800000000 ] - [ 0.0008295300000000, -0.0001619400000000, 0.0007148800000000 ] - [ -0.0007471800000000, -0.0000294300000000, 0.0025681700000000 ] - [ -0.0007471800000000, 0.0000294300000000, 0.0025681700000000 ] - [ -0.0004262700000000, 0.0000000000000000, 0.0019220100000000 ] - [ -0.0055414900000000, 0.0000000000000000, -0.0760556500000000 ] - [ -0.0004542000000000, 0.0009951700000000, 0.0015530600000000 ] - [ -0.0004542000000000, -0.0009951700000000, 0.0015530600000000 ] - [ 0.0035154700000000, 0.0055772700000000, -0.0054347300000000 ] - [ 0.0035154700000000, -0.0055772700000000, -0.0054347300000000 ] - [ 0.0017629500000000, 0.0000000000000000, 0.0000973100000000 ] - [ -0.1285489500000000, 0.0000000000000000, 0.3435911300000000 ] - [ -0.0003741900000000, -0.0008278100000000, 0.0032408100000000 ] - [ -0.0003741900000000, 0.0008278100000000, 0.0032408100000000 ] - [ 0.0004642900000000, -0.0001135600000000, -0.0008152300000000 ] - [ 0.0004642900000000, 0.0001135600000000, -0.0008152300000000 ] - [ 0.0002936000000000, 0.0000000000000000, -0.0009616000000000 ] - [ 0.0013113100000000, 0.0000000000000000, -0.0016246000000000 ] - [ 0.0009895900000000, -0.0009935400000000, -0.0015202700000000 ] - [ 0.0009895900000000, 0.0009935400000000, -0.0015202700000000 ] - [ 0.0013873600000000, -0.0003177100000000, -0.0012867400000000 ] - [ 0.0013873600000000, 0.0003177100000000, -0.0012867400000000 ] - [ -0.0006378400000000, 0.0000000000000000, 0.0005869600000000 ] - [ 0.0030887400000000, 0.0020615100000000, -0.0004128000000000 ] - [ 0.0030887400000000, -0.0020615100000000, -0.0004128000000000 ] - [ -0.0001041000000000, 0.0000000000000000, -0.0008633600000000 ] - [ 0.0003644500000000, 0.0000000000000000, -0.0030159200000000 ] - [ 0.0009430500000000, 0.0043493100000000, -0.0030176800000000 ] - [ 0.0009430500000000, -0.0043493100000000, -0.0030176800000000 ] - [ -0.0004878800000000, 0.0000000000000000, 0.0016475500000000 ] - [ 0.0005234800000000, 0.0001249900000000, 0.0011512400000000 ] - [ 0.0005234800000000, -0.0001249900000000, 0.0011512400000000 ] - [ 0.0001933100000000, 0.0000000000000000, 0.0005861500000000 ] - [ 0.0003457900000000, -0.0000774600000000, 0.0007038000000000 ] - [ 0.0003457900000000, 0.0000774600000000, 0.0007038000000000 ] - [ 0.0002448000000000, 0.0001535800000000, -0.0023267100000000 ] - [ 0.0002448000000000, -0.0001535800000000, -0.0023267100000000 ] - [ 0.0000728400000000, 0.0000000000000000, -0.0007352400000000 ] - [ -0.0002911700000000, 0.0000000000000000, -0.0012154400000000 ] - [ -0.0003474300000000, -0.0002795100000000, -0.0008081000000000 ] - [ -0.0003474300000000, 0.0002795100000000, -0.0008081000000000 ] - [ -0.0013799000000000, 0.0000000000000000, 0.0009887100000000 ] - [ -0.0012806300000000, -0.0009086200000000, 0.0003551600000000 ] - [ -0.0012806300000000, 0.0009086200000000, 0.0003551600000000 ] - [ 0.0003846700000000, 0.0006715700000000, -0.0011778400000000 ] - [ 0.0003846700000000, -0.0006715700000000, -0.0011778400000000 ] - [ 0.0010419400000000, 0.0000000000000000, -0.0005856400000000 ] - [ 0.0013986900000000, 0.0005966600000000, 0.0020241700000000 ] - [ 0.0013986900000000, -0.0005966600000000, 0.0020241700000000 ] - [ 0.0005751000000000, 0.0000000000000000, 0.0006116900000000 ] - [ 0.0006818600000000, 0.0000000000000000, 0.0000586900000000 ] - [ 0.0008661000000000, 0.0013978900000000, -0.0004474100000000 ] - [ 0.0008661000000000, -0.0013978900000000, -0.0004474100000000 ] - [ -0.0007349100000000, -0.0010358400000000, -0.0029673300000000 ] - [ -0.0007349100000000, 0.0010358400000000, -0.0029673300000000 ] - [ -0.0000972100000000, 0.0000000000000000, -0.0011805600000000 ] - [ -0.0012279900000000, -0.0000075200000000, -0.0018930500000000 ] - [ -0.0012279900000000, 0.0000075200000000, -0.0018930500000000 ] - [ -0.0006244600000000, 0.0000000000000000, -0.0007692600000000 ] - [ 0.0029277100000000, -0.0012205100000000, -0.0006616500000000 ] - [ 0.0029277100000000, 0.0012205100000000, -0.0006616500000000 ] - [ 0.0010707900000000, 0.0000000000000000, 0.0006155700000000 ] - [ -0.0012459800000000, 0.0000000000000000, -0.0028097400000000 ] - [ 0.0000261000000000, -0.0000934300000000, 0.0006785000000000 ] - [ 0.0000261000000000, 0.0000934300000000, 0.0006785000000000 ] - [ -0.0104638800000000, 0.0000000000000000, -0.0082601500000000 ] - [ 0.0005706800000000, -0.0002998000000000, -0.0010561600000000 ] - [ 0.0005706800000000, 0.0002998000000000, -0.0010561600000000 ] - [ -0.0033288500000000, 0.0041432700000000, 0.0052499000000000 ] - [ -0.0033288500000000, -0.0041432700000000, 0.0052499000000000 ] - [ -0.0011998900000000, 0.0000000000000000, 0.0017008100000000 ] - [ 0.0534739400000000, 0.0000000000000000, -0.0180003100000000 ] - [ -0.0003282400000000, 0.0007204300000000, 0.0010354100000000 ] - [ -0.0003282400000000, -0.0007204300000000, 0.0010354100000000 ] - [ 0.0001160600000000, 0.0004263100000000, -0.0029563700000000 ] - [ 0.0001160600000000, -0.0004263100000000, -0.0029563700000000 ] - [ 0.0001828600000000, 0.0000000000000000, -0.0021065100000000 ] - [ 0.0004976800000000, 0.0000000000000000, -0.0065859600000000 ] - [ -0.0014127100000000, -0.0004058200000000, -0.0005044600000000 ] - [ -0.0014127100000000, 0.0004058200000000, -0.0005044600000000 ] - [ 0.0007080500000000, -0.0001758300000000, -0.0009227000000000 ] - [ 0.0007080500000000, 0.0001758300000000, -0.0009227000000000 ] - [ 0.0008237000000000, 0.0000000000000000, -0.0006617400000000 ]- atom: 70 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0002378900000000, 0.0000000000000000, 0.0004598200000000 ] - [ -0.0002275900000000, -0.0000789100000000, 0.0002922000000000 ] - [ -0.0002275900000000, 0.0000789100000000, 0.0002922000000000 ] - [ -0.0007329500000000, -0.0002175000000000, 0.0006720500000000 ] - [ -0.0005716700000000, 0.0000000000000000, 0.0007497100000000 ] - [ -0.0007329500000000, 0.0002175000000000, 0.0006720500000000 ] - [ -0.0054461000000000, 0.0000000000000000, -0.0030845200000000 ] - [ -0.0007365300000000, -0.0006942700000000, -0.0000381000000000 ] - [ -0.0007365300000000, 0.0006942700000000, -0.0000381000000000 ] - [ -0.0015318900000000, -0.0052492100000000, 0.0018035000000000 ] - [ -0.0000353000000000, 0.0000000000000000, 0.0000425300000000 ] - [ -0.0015318900000000, 0.0052492100000000, 0.0018035000000000 ] - [ 0.0018719900000000, 0.0000000000000000, 0.0050458100000000 ] - [ 0.0028678700000000, 0.0005552300000000, 0.0040729100000000 ] - [ 0.0028678700000000, -0.0005552300000000, 0.0040729100000000 ] - [ 0.0133447600000000, 0.0000000000000000, 0.0135051200000000 ] - [ 0.0020919700000000, -0.0011898100000000, 0.0000169900000000 ] - [ 0.0020919700000000, 0.0011898100000000, 0.0000169900000000 ] - [ 0.0109242100000000, -0.0056203800000000, 0.0043474400000000 ] - [ 0.0031104300000000, 0.0000000000000000, -0.0012133700000000 ] - [ 0.0109242100000000, 0.0056203800000000, 0.0043474400000000 ] - [ 0.0017468100000000, -0.0005579800000000, -0.0029844900000000 ] - [ 0.0006963700000000, 0.0000000000000000, -0.0016434300000000 ] - [ 0.0017468100000000, 0.0005579800000000, -0.0029844900000000 ] - [ 0.0004697300000000, -0.0003868300000000, -0.0005473200000000 ] - [ 0.0002760800000000, 0.0000000000000000, -0.0000623500000000 ] - [ 0.0004697300000000, 0.0003868300000000, -0.0005473200000000 ] - [ -0.0059744100000000, 0.0000000000000000, -0.0004918900000000 ] - [ -0.0025942400000000, 0.0003745700000000, -0.0021526200000000 ] - [ -0.0025942400000000, -0.0003745700000000, -0.0021526200000000 ] - [ -0.0010555900000000, 0.0000000000000000, -0.0001571100000000 ] - [ -0.0008822900000000, -0.0003593500000000, -0.0002101400000000 ] - [ -0.0008822900000000, 0.0003593500000000, -0.0002101400000000 ] - [ 0.0006268500000000, 0.0000000000000000, -0.0024092000000000 ] - [ 0.0002284800000000, -0.0003810700000000, -0.0020180700000000 ] - [ 0.0002284800000000, 0.0003810700000000, -0.0020180700000000 ] - [ -0.0005527600000000, -0.0005872100000000, 0.0009445100000000 ] - [ -0.0001942000000000, 0.0000000000000000, -0.0000008100000000 ] - [ -0.0005527600000000, 0.0005872100000000, 0.0009445100000000 ] - [ 0.0073826900000000, -0.0118089800000000, -0.0105591000000000 ] - [ 0.0008103200000000, 0.0000000000000000, 0.0008444700000000 ] - [ 0.0073826900000000, 0.0118089800000000, -0.0105591000000000 ] - [ 0.0011292100000000, 0.0000230200000000, 0.0011305000000000 ] - [ 0.0016474000000000, 0.0000000000000000, 0.0012217600000000 ] - [ 0.0011292100000000, -0.0000230200000000, 0.0011305000000000 ] - [ -0.0001465800000000, 0.0000000000000000, 0.0008150500000000 ] - [ -0.0003050800000000, -0.0000312200000000, -0.0001771300000000 ] - [ -0.0003050800000000, 0.0000312200000000, -0.0001771300000000 ] - [ -0.0006606400000000, 0.0001229600000000, -0.0014942200000000 ] - [ -0.0005053000000000, 0.0000000000000000, 0.0004655700000000 ] - [ -0.0006606400000000, -0.0001229600000000, -0.0014942200000000 ] - [ -0.0063629300000000, 0.0000000000000000, 0.0008131000000000 ] - [ -0.0060847800000000, -0.0017976200000000, 0.0008882800000000 ] - [ -0.0060847800000000, 0.0017976200000000, 0.0008882800000000 ] - [ -0.0009665500000000, -0.0002757700000000, 0.0000551900000000 ] - [ 0.0002639100000000, 0.0000000000000000, -0.0011270600000000 ] - [ -0.0009665500000000, 0.0002757700000000, 0.0000551900000000 ] - [ 0.2015827400000000, 0.0000000000000000, -0.0129831900000000 ] - [ 0.0049337000000000, -0.0017378700000000, -0.0000715700000000 ] - [ 0.0049337000000000, 0.0017378700000000, -0.0000715700000000 ] - [ -0.0010590200000000, 0.0000208200000000, -0.0020678300000000 ] - [ -0.0011193700000000, 0.0000000000000000, -0.0024405400000000 ] - [ -0.0010590200000000, -0.0000208200000000, -0.0020678300000000 ] - [ 0.0013364600000000, 0.0000000000000000, -0.0015160200000000 ] - [ 0.0010096500000000, 0.0001644600000000, 0.0001239700000000 ] - [ 0.0010096500000000, -0.0001644600000000, 0.0001239700000000 ] - [ -0.0001404000000000, 0.0001156200000000, -0.0002698000000000 ] - [ -0.0001869400000000, 0.0000000000000000, -0.0001036100000000 ] - [ -0.0001404000000000, -0.0001156200000000, -0.0002698000000000 ] - [ -0.3453885300000000, 0.0000000000000000, 0.0208617200000000 ] - [ -0.0077979000000000, -0.0016162700000000, 0.0000213400000000 ] - [ -0.0077979000000000, 0.0016162700000000, 0.0000213400000000 ] - [ -0.0035610200000000, 0.0014294100000000, 0.0024025300000000 ] - [ -0.0005488700000000, 0.0000000000000000, 0.0011486400000000 ] - [ -0.0035610200000000, -0.0014294100000000, 0.0024025300000000 ] - [ -0.0034415800000000, 0.0000000000000000, -0.0003768000000000 ] - [ -0.0009499300000000, -0.0000254400000000, 0.0009070000000000 ] - [ -0.0009499300000000, 0.0000254400000000, 0.0009070000000000 ] - [ -0.0007406600000000, 0.0000000000000000, -0.0020464300000000 ] - [ -0.0004025600000000, 0.0001180700000000, -0.0013492500000000 ] - [ -0.0004025600000000, -0.0001180700000000, -0.0013492500000000 ] - [ -0.0032258900000000, -0.0022624600000000, -0.0046047000000000 ] - [ -0.0027124600000000, 0.0000000000000000, -0.0002323600000000 ] - [ -0.0032258900000000, 0.0022624600000000, -0.0046047000000000 ] - [ 0.0012620000000000, 0.0000126400000000, 0.0003447000000000 ] - [ 0.0006946800000000, 0.0000000000000000, -0.0006288700000000 ] - [ 0.0012620000000000, -0.0000126400000000, 0.0003447000000000 ] - [ 0.0000471600000000, 0.0014684100000000, 0.0026540900000000 ] - [ -0.0001245300000000, 0.0000000000000000, 0.0003166800000000 ] - [ 0.0000471600000000, -0.0014684100000000, 0.0026540900000000 ] - [ 0.0081528700000000, 0.0000000000000000, -0.0030600900000000 ] - [ 0.0075950300000000, -0.0070043400000000, -0.0060508600000000 ] - [ 0.0075950300000000, 0.0070043400000000, -0.0060508600000000 ] - [ 0.0058837500000000, 0.0022468600000000, 0.0048337200000000 ] - [ 0.0007423000000000, 0.0000000000000000, 0.0014149600000000 ] - [ 0.0058837500000000, -0.0022468600000000, 0.0048337200000000 ] - [ -0.0003531500000000, 0.0002331700000000, 0.0005786300000000 ] - [ -0.0001687200000000, 0.0000000000000000, 0.0005430800000000 ] - [ -0.0003531500000000, -0.0002331700000000, 0.0005786300000000 ] - [ 0.0005494400000000, 0.0000000000000000, 0.0011675600000000 ] - [ 0.0003687400000000, 0.0001232600000000, 0.0009913800000000 ] - [ 0.0003687400000000, -0.0001232600000000, 0.0009913800000000 ] - [ -0.0001311600000000, 0.0000000000000000, 0.0000101100000000 ] - [ -0.0002780900000000, 0.0002234400000000, -0.0000543200000000 ] - [ -0.0002780900000000, -0.0002234400000000, -0.0000543200000000 ] - [ -0.0004499500000000, -0.0000618200000000, 0.0013470100000000 ] - [ -0.0000068800000000, 0.0000000000000000, -0.0002374900000000 ] - [ -0.0004499500000000, 0.0000618200000000, 0.0013470100000000 ] - [ 0.0015562900000000, 0.0000000000000000, -0.0019288800000000 ] - [ 0.0015380500000000, 0.0008781900000000, -0.0028724200000000 ] - [ 0.0015380500000000, -0.0008781900000000, -0.0028724200000000 ] - [ 0.0042191600000000, 0.0000000000000000, 0.0010485300000000 ] - [ 0.0021518000000000, 0.0004267500000000, 0.0014417500000000 ] - [ 0.0021518000000000, -0.0004267500000000, 0.0014417500000000 ] - [ -0.0015877600000000, 0.0000000000000000, 0.0011974600000000 ] - [ -0.0021511200000000, 0.0038867100000000, 0.0013333100000000 ] - [ -0.0021511200000000, -0.0038867100000000, 0.0013333100000000 ] - [ 0.0033486700000000, 0.0008796600000000, 0.0019318300000000 ] - [ 0.0013392400000000, 0.0000000000000000, 0.0024156300000000 ] - [ 0.0033486700000000, -0.0008796600000000, 0.0019318300000000 ] - [ 0.0010826500000000, -0.0000547500000000, -0.0010762900000000 ] - [ 0.0003722900000000, 0.0000000000000000, -0.0000882400000000 ] - [ 0.0010826500000000, 0.0000547500000000, -0.0010762900000000 ] - [ -0.0001794400000000, 0.0000000000000000, 0.0002951000000000 ] - [ -0.0001624600000000, 0.0003379100000000, 0.0001923200000000 ] - [ -0.0001624600000000, -0.0003379100000000, 0.0001923200000000 ] - [ -0.0007290300000000, 0.0002133400000000, -0.0002381000000000 ] - [ -0.0011119800000000, 0.0000000000000000, -0.0000252500000000 ] - [ -0.0007290300000000, -0.0002133400000000, -0.0002381000000000 ] - [ 0.0442406700000000, 0.0000000000000000, -0.0444469500000000 ] - [ -0.0014379800000000, 0.0014843100000000, -0.0002654300000000 ] - [ -0.0014379800000000, -0.0014843100000000, -0.0002654300000000 ] - [ -0.0008713900000000, 0.0015440600000000, -0.0016174700000000 ] - [ -0.0013445800000000, 0.0000000000000000, 0.0002174600000000 ] - [ -0.0008713900000000, -0.0015440600000000, -0.0016174700000000 ] - [ 0.0594954300000000, 0.0000000000000000, 0.0420301600000000 ] - [ -0.0010201100000000, 0.0016438800000000, -0.0007707000000000 ] - [ -0.0010201100000000, -0.0016438800000000, -0.0007707000000000 ]- atom: 70 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0001651400000000, 0.0000000000000000, -0.0002047000000000 ] - [ -0.0001756100000000, 0.0000781500000000, -0.0000386000000000 ] - [ -0.0001756100000000, -0.0000781500000000, -0.0000386000000000 ] - [ 0.0005027200000000, 0.0002145200000000, -0.0002119800000000 ] - [ 0.0003400700000000, 0.0000000000000000, -0.0002891700000000 ] - [ 0.0005027200000000, -0.0002145200000000, -0.0002119800000000 ] - [ 0.0056564900000000, 0.0000000000000000, 0.0026186800000000 ] - [ 0.0009591900000000, 0.0006901500000000, -0.0004248200000000 ] - [ 0.0009591900000000, -0.0006901500000000, -0.0004248200000000 ] - [ 0.0019307000000000, 0.0052299500000000, -0.0020553200000000 ] - [ 0.0004361000000000, 0.0000000000000000, -0.0002943800000000 ] - [ 0.0019307000000000, -0.0052299500000000, -0.0020553200000000 ] - [ -0.0017231500000000, 0.0000000000000000, -0.0041541000000000 ] - [ -0.0026692900000000, -0.0005359900000000, -0.0031952200000000 ] - [ -0.0026692900000000, 0.0005359900000000, -0.0031952200000000 ] - [ -0.0122194400000000, 0.0000000000000000, -0.0137583000000000 ] - [ -0.0010553200000000, 0.0011964000000000, -0.0002466900000000 ] - [ -0.0010553200000000, -0.0011964000000000, -0.0002466900000000 ] - [ -0.0114386600000000, 0.0062865800000000, -0.0026515800000000 ] - [ -0.0029971400000000, 0.0000000000000000, 0.0030512400000000 ] - [ -0.0114386600000000, -0.0062865800000000, -0.0026515800000000 ] - [ -0.0007224900000000, 0.0005552700000000, 0.0020921800000000 ] - [ 0.0003287200000000, 0.0000000000000000, 0.0007703700000000 ] - [ -0.0007224900000000, -0.0005552700000000, 0.0020921800000000 ] - [ 0.0005402700000000, 0.0003853100000000, 0.0006512400000000 ] - [ 0.0007319900000000, 0.0000000000000000, 0.0001694600000000 ] - [ 0.0005402700000000, -0.0003853100000000, 0.0006512400000000 ] - [ 0.0049366500000000, 0.0000000000000000, 0.0003997300000000 ] - [ 0.0015751500000000, -0.0003650000000000, 0.0020456300000000 ] - [ 0.0015751500000000, 0.0003650000000000, 0.0020456300000000 ] - [ 0.0000270200000000, 0.0000000000000000, 0.0010263000000000 ] - [ -0.0001439700000000, 0.0003580700000000, 0.0010801400000000 ] - [ -0.0001439700000000, -0.0003580700000000, 0.0010801400000000 ] - [ -0.0007355500000000, 0.0000000000000000, 0.0005565500000000 ] - [ -0.0003390900000000, 0.0003798900000000, 0.0001602600000000 ] - [ -0.0003390900000000, -0.0003798900000000, 0.0001602600000000 ] - [ -0.0004680100000000, 0.0005843500000000, -0.0007073800000000 ] - [ -0.0008232100000000, 0.0000000000000000, 0.0002320300000000 ] - [ -0.0004680100000000, -0.0005843500000000, -0.0007073800000000 ] - [ -0.0074790600000000, 0.0117659200000000, 0.0096596800000000 ] - [ -0.0010023900000000, 0.0000000000000000, -0.0017130700000000 ] - [ -0.0074790600000000, -0.0117659200000000, 0.0096596800000000 ] - [ -0.0012380100000000, -0.0000233600000000, -0.0014213200000000 ] - [ -0.0017492100000000, 0.0000000000000000, -0.0015073300000000 ] - [ -0.0012380100000000, 0.0000233600000000, -0.0014213200000000 ] - [ -0.0008338000000000, 0.0000000000000000, -0.0002792500000000 ] - [ -0.0006780500000000, 0.0000304300000000, 0.0007077900000000 ] - [ -0.0006780500000000, -0.0000304300000000, 0.0007077900000000 ] - [ 0.0008766400000000, -0.0001218800000000, 0.0020911500000000 ] - [ 0.0007210000000000, 0.0000000000000000, 0.0001398100000000 ] - [ 0.0008766400000000, 0.0001218800000000, 0.0020911500000000 ] - [ 0.0061576600000000, 0.0000000000000000, -0.0014223900000000 ] - [ 0.0058582700000000, 0.0017988600000000, -0.0014953100000000 ] - [ 0.0058582700000000, -0.0017988600000000, -0.0014953100000000 ] - [ 0.0019423000000000, 0.0002734200000000, -0.0005864800000000 ] - [ 0.0007237200000000, 0.0000000000000000, 0.0005903100000000 ] - [ 0.0019423000000000, -0.0002734200000000, -0.0005864800000000 ] - [ -0.1840171700000000, 0.0000000000000000, 0.0119669600000000 ] - [ -0.0048080500000000, 0.0017530100000000, 0.0003756400000000 ] - [ -0.0048080500000000, -0.0017530100000000, 0.0003756400000000 ] - [ -0.0004655100000000, -0.0000205100000000, 0.0006967200000000 ] - [ -0.0004047800000000, 0.0000000000000000, 0.0010601500000000 ] - [ -0.0004655100000000, 0.0000205100000000, 0.0006967200000000 ] - [ 0.0011791600000000, 0.0000000000000000, 0.0014561600000000 ] - [ 0.0015046700000000, -0.0001631200000000, -0.0001726800000000 ] - [ 0.0015046700000000, 0.0001631200000000, -0.0001726800000000 ] - [ 0.0003188500000000, -0.0001148000000000, 0.0012718300000000 ] - [ 0.0003651900000000, 0.0000000000000000, 0.0011039000000000 ] - [ 0.0003188500000000, 0.0001148000000000, 0.0012718300000000 ] - [ 0.3270422600000000, 0.0000000000000000, -0.0190888200000000 ] - [ 0.0073540600000000, 0.0016279700000000, 0.0003640200000000 ] - [ 0.0073540600000000, -0.0016279700000000, 0.0003640200000000 ] - [ 0.0040017800000000, -0.0014591500000000, -0.0023728000000000 ] - [ 0.0009866900000000, 0.0000000000000000, -0.0011736100000000 ] - [ 0.0040017800000000, 0.0014591500000000, -0.0023728000000000 ] - [ 0.0023753900000000, 0.0000000000000000, 0.0015359600000000 ] - [ -0.0001009800000000, 0.0000225200000000, 0.0002587600000000 ] - [ -0.0001009800000000, -0.0000225200000000, 0.0002587600000000 ] - [ -0.0003406400000000, 0.0000000000000000, -0.0010625100000000 ] - [ -0.0006766300000000, -0.0001174600000000, -0.0017558500000000 ] - [ -0.0006766300000000, 0.0001174600000000, -0.0017558500000000 ] - [ 0.0016363500000000, 0.0022274200000000, 0.0057823000000000 ] - [ 0.0010687500000000, 0.0000000000000000, 0.0014589000000000 ] - [ 0.0016363500000000, -0.0022274200000000, 0.0057823000000000 ] - [ -0.0008897500000000, -0.0000124300000000, -0.0013447400000000 ] - [ -0.0003240900000000, 0.0000000000000000, -0.0003765500000000 ] - [ -0.0008897500000000, 0.0000124300000000, -0.0013447400000000 ] - [ -0.0006272200000000, -0.0014566100000000, -0.0016744900000000 ] - [ -0.0004496000000000, 0.0000000000000000, 0.0006472700000000 ] - [ -0.0006272200000000, 0.0014566100000000, -0.0016744900000000 ] - [ -0.0073086100000000, 0.0000000000000000, 0.0033828700000000 ] - [ -0.0065576300000000, 0.0070166100000000, 0.0063444700000000 ] - [ -0.0065576300000000, -0.0070166100000000, 0.0063444700000000 ] - [ -0.0051653500000000, -0.0022543700000000, -0.0040312600000000 ] - [ -0.0000675000000000, 0.0000000000000000, -0.0006512100000000 ] - [ -0.0051653500000000, 0.0022543700000000, -0.0040312600000000 ] - [ -0.0005512800000000, -0.0002324100000000, -0.0005545500000000 ] - [ -0.0007357800000000, 0.0000000000000000, -0.0005221500000000 ] - [ -0.0005512800000000, 0.0002324100000000, -0.0005545500000000 ] - [ 0.0003618000000000, 0.0000000000000000, -0.0011813300000000 ] - [ 0.0005385500000000, -0.0001278700000000, -0.0010069100000000 ] - [ 0.0005385500000000, 0.0001278700000000, -0.0010069100000000 ] - [ -0.0005446500000000, 0.0000000000000000, -0.0007709400000000 ] - [ -0.0003968300000000, -0.0002227900000000, -0.0007064500000000 ] - [ -0.0003968300000000, 0.0002227900000000, -0.0007064500000000 ] - [ -0.0006097000000000, 0.0000601700000000, -0.0016046000000000 ] - [ -0.0010492800000000, 0.0000000000000000, -0.0000269100000000 ] - [ -0.0006097000000000, -0.0000601700000000, -0.0016046000000000 ] - [ -0.0009859700000000, 0.0000000000000000, 0.0009864100000000 ] - [ -0.0009607200000000, -0.0008758900000000, 0.0019114100000000 ] - [ -0.0009607200000000, 0.0008758900000000, 0.0019114100000000 ] - [ -0.0045911100000000, 0.0000000000000000, -0.0000525500000000 ] - [ -0.0025171400000000, -0.0004256000000000, -0.0004366200000000 ] - [ -0.0025171400000000, 0.0004256000000000, -0.0004366200000000 ] - [ 0.0032100800000000, 0.0000000000000000, -0.0024178700000000 ] - [ 0.0037673900000000, -0.0038592200000000, -0.0025361200000000 ] - [ 0.0037673900000000, 0.0038592200000000, -0.0025361200000000 ] - [ -0.0022560000000000, -0.0008748600000000, 0.0011764600000000 ] - [ -0.0002569100000000, 0.0000000000000000, 0.0006936300000000 ] - [ -0.0022560000000000, 0.0008748600000000, 0.0011764600000000 ] - [ -0.0000304200000000, 0.0000539200000000, -0.0000888900000000 ] - [ 0.0006742300000000, 0.0000000000000000, -0.0010705300000000 ] - [ -0.0000304200000000, -0.0000539200000000, -0.0000888900000000 ] - [ -0.0002568000000000, 0.0000000000000000, -0.0002703400000000 ] - [ -0.0002752800000000, -0.0003357300000000, -0.0001670800000000 ] - [ -0.0002752800000000, 0.0003357300000000, -0.0001670800000000 ] - [ 0.0012093100000000, -0.0002130200000000, -0.0001389300000000 ] - [ 0.0015861200000000, 0.0000000000000000, -0.0003503300000000 ] - [ 0.0012093100000000, 0.0002130200000000, -0.0001389300000000 ] - [ -0.0438627300000000, 0.0000000000000000, 0.0427592800000000 ] - [ 0.0012558300000000, -0.0014832400000000, -0.0007473700000000 ] - [ 0.0012558300000000, 0.0014832400000000, -0.0007473700000000 ] - [ -0.0016425200000000, -0.0015330800000000, 0.0016566200000000 ] - [ -0.0011774700000000, 0.0000000000000000, -0.0001661200000000 ] - [ -0.0016425200000000, 0.0015330800000000, 0.0016566200000000 ] - [ -0.0570440900000000, 0.0000000000000000, -0.0399675700000000 ] - [ 0.0025450500000000, -0.0016431000000000, 0.0021307600000000 ] - [ 0.0025450500000000, 0.0016431000000000, 0.0021307600000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002028300000000, 0.0000939000000000, 0.0001229400000000 ] - [ -0.0002219500000000, -0.0000477700000000, 0.0001640300000000 ] - [ -0.0001858600000000, -0.0000481200000000, 0.0000780400000000 ] - [ -0.0000906900000000, 0.0003991900000000, -0.0000125300000000 ] - [ -0.0001168900000000, -0.0007367800000000, 0.0002238900000000 ] - [ -0.0001299800000000, 0.0003984900000000, 0.0004755000000000 ] - [ 0.0001355500000000, -0.0001314500000000, -0.0002066900000000 ] - [ 0.0002965900000000, -0.0001498000000000, -0.0003832000000000 ] - [ -0.0000626400000000, -0.0001546300000000, -0.0000777400000000 ] - [ -0.0005738800000000, 0.0004734000000000, 0.0002302700000000 ] - [ 0.0002060800000000, -0.0005411300000000, -0.0001181800000000 ] - [ 0.0009830500000000, 0.0004342300000000, -0.0004762100000000 ] - [ 0.0000793300000000, 0.0060197200000000, 0.0004423400000000 ] - [ -0.0005867900000000, -0.0035491900000000, -0.0027500000000000 ] - [ 0.0007665700000000, -0.0035437000000000, 0.0036033500000000 ] - [ 0.0004751500000000, 0.0052678800000000, -0.0001895900000000 ] - [ -0.0005206400000000, -0.0023165300000000, 0.0009439100000000 ] - [ 0.0015328200000000, -0.0023281000000000, -0.0011741400000000 ] - [ 0.0013284700000000, 0.0138064400000000, -0.0021842100000000 ] - [ 0.0000575300000000, -0.0083085500000000, 0.0009288900000000 ] - [ -0.0018967100000000, 0.0130116400000000, 0.0039364900000000 ] - [ 0.0011452400000000, 0.0007380800000000, 0.0025249300000000 ] - [ 0.0005118800000000, -0.0013163700000000, -0.0004333000000000 ] - [ -0.0001278200000000, 0.0007326900000000, -0.0033845500000000 ] - [ 0.0005229400000000, 0.0002110600000000, 0.0000012000000000 ] - [ 0.0005078300000000, -0.0004151000000000, 0.0000539500000000 ] - [ 0.0004913500000000, 0.0002083000000000, 0.0001082900000000 ] - [ -0.0004879700000000, 0.0056174100000000, -0.0000561500000000 ] - [ 0.0007763000000000, -0.0026506200000000, 0.0014064700000000 ] - [ -0.0017780800000000, -0.0026506900000000, -0.0015031000000000 ] - [ -0.0005102900000000, 0.0005229500000000, 0.0004390200000000 ] - [ -0.0002750700000000, -0.0002664900000000, 0.0007339100000000 ] - [ -0.0007472800000000, -0.0002693300000000, 0.0001449000000000 ] - [ -0.0000567500000000, 0.0005571700000000, -0.0009187500000000 ] - [ -0.0000660400000000, -0.0002783500000000, -0.0013774400000000 ] - [ -0.0000465700000000, -0.0002796500000000, -0.0004651700000000 ] - [ -0.0006333400000000, 0.0002113300000000, 0.0001367100000000 ] - [ -0.0005107300000000, -0.0004221900000000, 0.0001178000000000 ] - [ -0.0003861300000000, 0.0002063000000000, 0.0000918700000000 ] - [ -0.0034270100000000, 0.0000011400000000, -0.0040195200000000 ] - [ -0.0000973600000000, -0.0020533900000000, -0.0004431800000000 ] - [ 0.0031913600000000, -0.0000849200000000, 0.0031826900000000 ] - [ -0.0002093900000000, -0.0000974800000000, -0.0004426000000000 ] - [ -0.0000660800000000, 0.0003150400000000, -0.0001492400000000 ] - [ 0.0000759500000000, -0.0000972900000000, 0.0001410400000000 ] - [ -0.0004930100000000, -0.0000922100000000, 0.0002627300000000 ] - [ -0.0006275200000000, 0.0000639800000000, 0.0006838800000000 ] - [ -0.0003579700000000, 0.0000637400000000, -0.0001503400000000 ] - [ 0.0002093000000000, -0.0000139100000000, -0.0002053500000000 ] - [ 0.0001143500000000, -0.0000467500000000, 0.0003002100000000 ] - [ 0.0000206500000000, -0.0000131200000000, 0.0008164500000000 ] - [ -0.0001015000000000, -0.0001716500000000, -0.0002989300000000 ] - [ 0.0047719400000000, 0.0015922600000000, -0.0015054800000000 ] - [ -0.0049724500000000, 0.0015850000000000, 0.0008936600000000 ] - [ 0.0005304200000000, -0.0002463200000000, -0.0001352700000000 ] - [ 0.0004931300000000, 0.0004552500000000, -0.0002619300000000 ] - [ 0.0004624500000000, -0.0002476800000000, -0.0003992200000000 ] - [ -0.0004707400000000, 0.0556689400000000, 0.0002076500000000 ] - [ -0.0026176800000000, -0.0003618200000000, 0.0002614400000000 ] - [ 0.0027027000000000, -0.0003541900000000, 0.0000285000000000 ] - [ -0.0005859000000000, -0.0008608100000000, -0.0005385900000000 ] - [ -0.0007510600000000, 0.0024629800000000, -0.0006746500000000 ] - [ -0.0009158900000000, -0.0008605400000000, -0.0008069800000000 ] - [ 0.0012634100000000, -0.0000087600000000, -0.0000132300000000 ] - [ 0.0014440300000000, -0.0000146700000000, -0.0003127900000000 ] - [ 0.0010858900000000, -0.0000134600000000, 0.0002747400000000 ] - [ 0.0001076800000000, 0.0000178100000000, 0.0006164000000000 ] - [ 0.0000995700000000, -0.0000979500000000, 0.0004968200000000 ] - [ 0.0000920200000000, 0.0000192400000000, 0.0003799300000000 ] - [ 0.0015367000000000, -0.0688947300000000, 0.0002076200000000 ] - [ 0.0013777800000000, 0.0036123700000000, 0.0001164300000000 ] - [ -0.0018677900000000, 0.0035807000000000, 0.0002597400000000 ] - [ 0.0006030100000000, 0.0013612300000000, -0.0056634400000000 ] - [ 0.0002194200000000, 0.0012480200000000, -0.0000167300000000 ] - [ -0.0001671700000000, 0.0013779000000000, 0.0055953600000000 ] - [ -0.0005186900000000, -0.0009939000000000, 0.0005970700000000 ] - [ -0.0005490000000000, 0.0005555600000000, 0.0002398900000000 ] - [ -0.0005075300000000, 0.0005545400000000, 0.0009435800000000 ] - [ -0.0005490100000000, -0.0001306000000000, -0.0015558200000000 ] - [ -0.0006391400000000, 0.0000620500000000, -0.0017984500000000 ] - [ -0.0004627000000000, 0.0000627700000000, -0.0013186700000000 ] - [ -0.0044831400000000, 0.0031430000000000, 0.0084431500000000 ] - [ -0.0008141000000000, 0.0025511400000000, 0.0006154000000000 ] - [ 0.0028166100000000, 0.0031235100000000, -0.0071549600000000 ] - [ 0.0001606300000000, -0.0000697300000000, -0.0001961000000000 ] - [ 0.0001706100000000, 0.0001495700000000, -0.0005036900000000 ] - [ 0.0001761300000000, -0.0000697100000000, -0.0008164600000000 ] - [ 0.0003811700000000, -0.0002999700000000, 0.0007295000000000 ] - [ -0.0002974000000000, 0.0003543800000000, 0.0004966800000000 ] - [ -0.0009724000000000, -0.0002915200000000, 0.0002528100000000 ] - [ 0.0005142000000000, -0.0043001300000000, 0.0001528100000000 ] - [ -0.0053720900000000, 0.0083684700000000, 0.0051440300000000 ] - [ 0.0063982500000000, 0.0083080100000000, -0.0048277700000000 ] - [ -0.0073532500000000, -0.0020529200000000, -0.0053549100000000 ] - [ 0.0003382100000000, 0.0014497100000000, 0.0003768000000000 ] - [ 0.0079806300000000, -0.0020370500000000, 0.0060686200000000 ] - [ -0.0009762300000000, -0.0001741600000000, -0.0006204400000000 ] - [ -0.0004542100000000, 0.0003412700000000, 0.0000083000000000 ] - [ 0.0000699100000000, -0.0001719600000000, 0.0006368800000000 ] - [ 0.0004511700000000, -0.0019972300000000, -0.0000138300000000 ] - [ 0.0006098800000000, 0.0009152000000000, -0.0006415700000000 ] - [ 0.0002956600000000, 0.0009153300000000, 0.0006132000000000 ] - [ -0.0003428200000000, -0.0003329900000000, -0.0003835700000000 ] - [ -0.0001997600000000, 0.0001603800000000, -0.0004085700000000 ] - [ -0.0004838200000000, 0.0001623100000000, -0.0003581900000000 ] - [ -0.0007014300000000, -0.0001281700000000, 0.0003660500000000 ] - [ -0.0005338100000000, 0.0002378600000000, -0.0001336700000000 ] - [ -0.0003641100000000, -0.0001282800000000, -0.0006403400000000 ] - [ 0.0002940200000000, -0.0000503000000000, -0.0004936500000000 ] - [ -0.0008993500000000, -0.0005876900000000, 0.0015488400000000 ] - [ 0.0014896300000000, -0.0005844600000000, -0.0025325900000000 ] - [ -0.0001816800000000, -0.0001062900000000, 0.0005027900000000 ] - [ -0.0017775600000000, -0.0000886600000000, -0.0002142200000000 ] - [ 0.0014215000000000, -0.0000854700000000, 0.0012187500000000 ] - [ 0.0008211500000000, -0.0013543600000000, -0.0006186500000000 ] - [ 0.0015431200000000, 0.0005326600000000, -0.0004552400000000 ] - [ 0.0001031000000000, 0.0005553700000000, -0.0007757500000000 ] - [ 0.0001969200000000, -0.0007869200000000, 0.0017229400000000 ] - [ 0.0005468400000000, 0.0011438200000000, 0.0015537000000000 ] - [ 0.0008840700000000, -0.0007777300000000, 0.0013899000000000 ] - [ 0.0005767200000000, -0.0000013800000000, -0.0006503700000000 ] - [ 0.0005295000000000, 0.0000268000000000, -0.0005954700000000 ] - [ 0.0004770000000000, -0.0000021600000000, -0.0005326300000000 ] - [ -0.0002169400000000, -0.0001704900000000, 0.0000092700000000 ] - [ -0.0003671900000000, 0.0000854200000000, 0.0000905400000000 ] - [ -0.0000676400000000, 0.0000880400000000, -0.0000703600000000 ] - [ 0.0004599100000000, -0.0001394400000000, -0.0000715000000000 ] - [ 0.0002481200000000, 0.0002960600000000, -0.0001900000000000 ] - [ 0.0000368700000000, -0.0001378400000000, -0.0003073500000000 ] - [ -0.0002637000000000, -0.0179488200000000, -0.0003784400000000 ] - [ 0.0005969800000000, 0.0002342500000000, -0.0010716000000000 ] - [ -0.0007862900000000, 0.0002397300000000, 0.0000751400000000 ] - [ -0.0013542800000000, -0.0004592600000000, -0.0000237200000000 ] - [ -0.0012659800000000, 0.0008879800000000, 0.0000173100000000 ] - [ -0.0011786500000000, -0.0004471100000000, 0.0000714800000000 ] - [ 0.0005584600000000, -0.0164254200000000, 0.0005707900000000 ] - [ 0.0014964500000000, 0.0002601300000000, 0.0015251500000000 ] - [ 0.0000155800000000, 0.0002672200000000, -0.0001584000000000 ]- atom: 70 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0001496900000000, 0.0000000000000000, -0.0003227500000000 ] - [ -0.0001365100000000, 0.0000634800000000, -0.0002384300000000 ] - [ -0.0001365100000000, -0.0000634800000000, -0.0002384300000000 ] - [ 0.0000743100000000, -0.0000186000000000, 0.0000295600000000 ] - [ 0.0002041800000000, 0.0000000000000000, 0.0001330400000000 ] - [ 0.0000743100000000, 0.0000186000000000, 0.0000295600000000 ] - [ 0.0001531100000000, 0.0000000000000000, -0.0000650900000000 ] - [ 0.0002007600000000, -0.0000546400000000, -0.0000692200000000 ] - [ 0.0002007600000000, 0.0000546400000000, -0.0000692200000000 ] - [ 0.0011776500000000, 0.0029536600000000, -0.0002362000000000 ] - [ 0.0003379900000000, 0.0000000000000000, 0.0001169300000000 ] - [ 0.0011776500000000, -0.0029536600000000, -0.0002362000000000 ] - [ 0.0030557000000000, 0.0000000000000000, -0.0039913500000000 ] - [ 0.0005557400000000, -0.0020016800000000, -0.0003252900000000 ] - [ 0.0005557400000000, 0.0020016800000000, -0.0003252900000000 ] - [ -0.0025451600000000, 0.0000000000000000, -0.0143794200000000 ] - [ 0.0011968200000000, 0.0023903600000000, -0.0003435000000000 ] - [ 0.0011968200000000, -0.0023903600000000, -0.0003435000000000 ] - [ -0.0013335900000000, -0.0018888600000000, 0.0078337500000000 ] - [ -0.0004375800000000, 0.0000000000000000, 0.0031675100000000 ] - [ -0.0013335900000000, 0.0018888600000000, 0.0078337500000000 ] - [ -0.0015371700000000, 0.0003367000000000, -0.0005489700000000 ] - [ 0.0000121600000000, 0.0000000000000000, -0.0002675900000000 ] - [ -0.0015371700000000, -0.0003367000000000, -0.0005489700000000 ] - [ 0.0004118600000000, 0.0001129500000000, -0.0010626200000000 ] - [ 0.0005138100000000, 0.0000000000000000, -0.0007895500000000 ] - [ 0.0004118600000000, -0.0001129500000000, -0.0010626200000000 ] - [ 0.0016660600000000, 0.0000000000000000, 0.0016561800000000 ] - [ 0.0001624200000000, 0.0001347800000000, 0.0013657100000000 ] - [ 0.0001624200000000, -0.0001347800000000, 0.0013657100000000 ] - [ -0.0003779500000000, 0.0000000000000000, -0.0002831800000000 ] - [ -0.0003864800000000, 0.0002138600000000, -0.0000823800000000 ] - [ -0.0003864800000000, -0.0002138600000000, -0.0000823800000000 ] - [ -0.0003451000000000, 0.0000000000000000, -0.0026857900000000 ] - [ -0.0003794900000000, -0.0000551400000000, -0.0020421900000000 ] - [ -0.0003794900000000, 0.0000551400000000, -0.0020421900000000 ] - [ -0.0002929100000000, 0.0002730400000000, -0.0012978500000000 ] - [ -0.0005850900000000, 0.0000000000000000, -0.0009441600000000 ] - [ -0.0002929100000000, -0.0002730400000000, -0.0012978500000000 ] - [ -0.0034740300000000, -0.0019838400000000, -0.0017486800000000 ] - [ -0.0007956200000000, 0.0000000000000000, -0.0002355000000000 ] - [ -0.0034740300000000, 0.0019838400000000, -0.0017486800000000 ] - [ -0.0003247400000000, 0.0000693900000000, -0.0015527400000000 ] - [ -0.0008546100000000, 0.0000000000000000, -0.0018840100000000 ] - [ -0.0003247400000000, -0.0000693900000000, -0.0015527400000000 ] - [ -0.0006081200000000, 0.0000000000000000, -0.0010642200000000 ] - [ -0.0005373400000000, 0.0000014500000000, -0.0004403400000000 ] - [ -0.0005373400000000, -0.0000014500000000, -0.0004403400000000 ] - [ -0.0000887000000000, -0.0000174100000000, -0.0003145600000000 ] - [ -0.0000196700000000, 0.0000000000000000, 0.0000473400000000 ] - [ -0.0000887000000000, 0.0000174100000000, -0.0003145600000000 ] - [ 0.0019654400000000, 0.0000000000000000, -0.0002995000000000 ] - [ 0.0010309300000000, 0.0001893100000000, 0.0002605500000000 ] - [ 0.0010309300000000, -0.0001893100000000, 0.0002605500000000 ] - [ 0.0017883400000000, 0.0001191600000000, -0.0009060700000000 ] - [ 0.0014721500000000, 0.0000000000000000, -0.0001106300000000 ] - [ 0.0017883400000000, -0.0001191600000000, -0.0009060700000000 ] - [ -0.0572131600000000, 0.0000000000000000, 0.0463277100000000 ] - [ -0.0010344100000000, 0.0004368800000000, 0.0019852600000000 ] - [ -0.0010344100000000, -0.0004368800000000, 0.0019852600000000 ] - [ -0.0006404400000000, 0.0002265000000000, 0.0004803800000000 ] - [ -0.0008116200000000, 0.0000000000000000, 0.0012850900000000 ] - [ -0.0006404400000000, -0.0002265000000000, 0.0004803800000000 ] - [ 0.0009614100000000, 0.0000000000000000, 0.0014129100000000 ] - [ 0.0011907200000000, -0.0000404000000000, 0.0005450200000000 ] - [ 0.0011907200000000, 0.0000404000000000, 0.0005450200000000 ] - [ 0.0000989100000000, -0.0001046000000000, 0.0016701900000000 ] - [ 0.0001454000000000, 0.0000000000000000, 0.0017866500000000 ] - [ 0.0000989100000000, 0.0001046000000000, 0.0016701900000000 ] - [ 0.0986090400000000, 0.0000000000000000, -0.0645715700000000 ] - [ 0.0013884900000000, 0.0004536400000000, -0.0005721800000000 ] - [ 0.0013884900000000, -0.0004536400000000, -0.0005721800000000 ] - [ 0.0025969800000000, -0.0054136500000000, 0.0026153500000000 ] - [ 0.0011407600000000, 0.0000000000000000, -0.0010557400000000 ] - [ 0.0025969800000000, 0.0054136500000000, 0.0026153500000000 ] - [ 0.0008737300000000, 0.0000000000000000, 0.0018621800000000 ] - [ -0.0004504000000000, -0.0002273800000000, 0.0011448400000000 ] - [ -0.0004504000000000, 0.0002273800000000, 0.0011448400000000 ] - [ -0.0000723500000000, 0.0000000000000000, -0.0005792800000000 ] - [ -0.0003074200000000, -0.0000091000000000, -0.0009988700000000 ] - [ -0.0003074200000000, 0.0000091000000000, -0.0009988700000000 ] - [ -0.0047605000000000, 0.0065025100000000, 0.0042138700000000 ] - [ -0.0001751800000000, 0.0000000000000000, -0.0006792600000000 ] - [ -0.0047605000000000, -0.0065025100000000, 0.0042138700000000 ] - [ 0.0002727200000000, 0.0000071600000000, 0.0002561400000000 ] - [ 0.0001411500000000, 0.0000000000000000, -0.0000095600000000 ] - [ 0.0002727200000000, -0.0000071600000000, 0.0002561400000000 ] - [ 0.0002639200000000, 0.0000561000000000, 0.0009205300000000 ] - [ -0.0001996200000000, 0.0000000000000000, 0.0006531400000000 ] - [ 0.0002639200000000, -0.0000561000000000, 0.0009205300000000 ] - [ -0.0024060500000000, 0.0000000000000000, 0.0005061000000000 ] - [ -0.0005967000000000, 0.0012949400000000, 0.0004539000000000 ] - [ -0.0005967000000000, -0.0012949400000000, 0.0004539000000000 ] - [ -0.0011735600000000, -0.0006291000000000, -0.0011835200000000 ] - [ -0.0000391400000000, 0.0000000000000000, -0.0002112200000000 ] - [ -0.0011735600000000, 0.0006291000000000, -0.0011835200000000 ] - [ -0.0004119000000000, -0.0001234200000000, 0.0007705900000000 ] - [ -0.0005994500000000, 0.0000000000000000, 0.0003336600000000 ] - [ -0.0004119000000000, 0.0001234200000000, 0.0007705900000000 ] - [ 0.0009848400000000, 0.0000000000000000, -0.0003168800000000 ] - [ 0.0008614000000000, -0.0003703200000000, -0.0002551600000000 ] - [ 0.0008614000000000, 0.0003703200000000, -0.0002551600000000 ] - [ -0.0000730200000000, 0.0000000000000000, 0.0002110100000000 ] - [ -0.0001584900000000, -0.0000547300000000, 0.0000805500000000 ] - [ -0.0001584900000000, 0.0000547300000000, 0.0000805500000000 ] - [ -0.0005073600000000, 0.0000668900000000, 0.0002837600000000 ] - [ -0.0004583300000000, 0.0000000000000000, 0.0000798800000000 ] - [ -0.0005073600000000, -0.0000668900000000, 0.0002837600000000 ] - [ -0.0003901200000000, 0.0000000000000000, -0.0005124700000000 ] - [ -0.0002930000000000, -0.0001752700000000, -0.0007236200000000 ] - [ -0.0002930000000000, 0.0001752700000000, -0.0007236200000000 ] - [ -0.0012806100000000, 0.0000000000000000, -0.0007472200000000 ] - [ -0.0007761900000000, -0.0000274000000000, -0.0004487800000000 ] - [ -0.0007761900000000, 0.0000274000000000, -0.0004487800000000 ] - [ 0.0016295600000000, 0.0000000000000000, 0.0007458300000000 ] - [ 0.0013777000000000, 0.0000492900000000, -0.0002375600000000 ] - [ 0.0013777000000000, -0.0000492900000000, -0.0002375600000000 ] - [ -0.0010098300000000, -0.0006785500000000, 0.0014922300000000 ] - [ 0.0000019100000000, 0.0000000000000000, 0.0010711200000000 ] - [ -0.0010098300000000, 0.0006785500000000, 0.0014922300000000 ] - [ 0.0000364500000000, 0.0000478900000000, 0.0001703600000000 ] - [ 0.0003350000000000, 0.0000000000000000, -0.0002844700000000 ] - [ 0.0000364500000000, -0.0000478900000000, 0.0001703600000000 ] - [ -0.0005142000000000, 0.0000000000000000, 0.0006919100000000 ] - [ -0.0003896100000000, -0.0001759200000000, 0.0005528400000000 ] - [ -0.0003896100000000, 0.0001759200000000, 0.0005528400000000 ] - [ 0.0004217700000000, 0.0000648200000000, 0.0002254800000000 ] - [ 0.0007180900000000, 0.0000000000000000, 0.0002056300000000 ] - [ 0.0004217700000000, -0.0000648200000000, 0.0002254800000000 ] - [ -0.0442958700000000, 0.0000000000000000, 0.0192633200000000 ] - [ 0.0003616100000000, -0.0007840900000000, -0.0017413000000000 ] - [ 0.0003616100000000, 0.0007840900000000, -0.0017413000000000 ] - [ -0.0021340200000000, -0.0009592000000000, 0.0012288700000000 ] - [ -0.0026003600000000, 0.0000000000000000, 0.0002523600000000 ] - [ -0.0021340200000000, 0.0009592000000000, 0.0012288700000000 ] - [ 0.0163545900000000, 0.0000000000000000, -0.0075617000000000 ] - [ 0.0009510900000000, -0.0000062200000000, -0.0001883800000000 ] - [ 0.0009510900000000, 0.0000062200000000, -0.0001883800000000 ]- atom: 70 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0002588900000000, 0.0000000000000000, 0.0005652700000000 ] - [ -0.0002704900000000, -0.0000631800000000, 0.0004824300000000 ] - [ -0.0002704900000000, 0.0000631800000000, 0.0004824300000000 ] - [ -0.0002989400000000, 0.0000180300000000, 0.0004318500000000 ] - [ -0.0004300200000000, 0.0000000000000000, 0.0003279800000000 ] - [ -0.0002989400000000, -0.0000180300000000, 0.0004318500000000 ] - [ 0.0001022500000000, 0.0000000000000000, -0.0003831000000000 ] - [ 0.0000284500000000, 0.0000571400000000, -0.0003940500000000 ] - [ 0.0000284500000000, -0.0000571400000000, -0.0003940500000000 ] - [ -0.0007646300000000, -0.0029479200000000, -0.0000158300000000 ] - [ 0.0000693300000000, 0.0000000000000000, -0.0003633900000000 ] - [ -0.0007646300000000, 0.0029479200000000, -0.0000158300000000 ] - [ -0.0028556400000000, 0.0000000000000000, 0.0048390100000000 ] - [ -0.0003672300000000, 0.0019931300000000, 0.0011950500000000 ] - [ -0.0003672300000000, -0.0019931300000000, 0.0011950500000000 ] - [ 0.0035314600000000, 0.0000000000000000, 0.0141733500000000 ] - [ -0.0001839500000000, -0.0023923900000000, 0.0001073800000000 ] - [ -0.0001839500000000, 0.0023923900000000, 0.0001073800000000 ] - [ 0.0014710500000000, 0.0017768000000000, -0.0059495700000000 ] - [ 0.0005500800000000, 0.0000000000000000, -0.0013268000000000 ] - [ 0.0014710500000000, -0.0017768000000000, -0.0059495700000000 ] - [ 0.0025651500000000, -0.0003337100000000, -0.0003243800000000 ] - [ 0.0010151100000000, 0.0000000000000000, -0.0006057700000000 ] - [ 0.0025651500000000, 0.0003337100000000, -0.0003243800000000 ] - [ 0.0006040000000000, -0.0001128600000000, 0.0011737400000000 ] - [ 0.0005025900000000, 0.0000000000000000, 0.0008991200000000 ] - [ 0.0006040000000000, 0.0001128600000000, 0.0011737400000000 ] - [ -0.0026904600000000, 0.0000000000000000, -0.0017618500000000 ] - [ -0.0011757400000000, -0.0001343900000000, -0.0014744500000000 ] - [ -0.0011757400000000, 0.0001343900000000, -0.0014744500000000 ] - [ -0.0006473400000000, 0.0000000000000000, 0.0011607300000000 ] - [ -0.0006393700000000, -0.0002136400000000, 0.0009597700000000 ] - [ -0.0006393700000000, 0.0002136400000000, 0.0009597700000000 ] - [ 0.0002296000000000, 0.0000000000000000, 0.0008411200000000 ] - [ 0.0002661800000000, 0.0000554200000000, 0.0002031000000000 ] - [ 0.0002661800000000, -0.0000554200000000, 0.0002031000000000 ] - [ -0.0007278500000000, -0.0002724500000000, 0.0015328000000000 ] - [ -0.0004367100000000, 0.0000000000000000, 0.0011799900000000 ] - [ -0.0007278500000000, 0.0002724500000000, 0.0015328000000000 ] - [ 0.0032411900000000, 0.0020188100000000, 0.0009182500000000 ] - [ 0.0006047800000000, 0.0000000000000000, -0.0006404100000000 ] - [ 0.0032411900000000, -0.0020188100000000, 0.0009182500000000 ] - [ 0.0001945700000000, -0.0000691200000000, 0.0012581600000000 ] - [ 0.0007215200000000, 0.0000000000000000, 0.0015867600000000 ] - [ 0.0001945700000000, 0.0000691200000000, 0.0012581600000000 ] - [ -0.0003736200000000, 0.0000000000000000, 0.0015939400000000 ] - [ -0.0004453500000000, -0.0000012300000000, 0.0009725200000000 ] - [ -0.0004453500000000, 0.0000012300000000, 0.0009725200000000 ] - [ 0.0003173100000000, 0.0000168400000000, 0.0009249600000000 ] - [ 0.0002470800000000, 0.0000000000000000, 0.0005568400000000 ] - [ 0.0003173100000000, -0.0000168400000000, 0.0009249600000000 ] - [ -0.0021657300000000, 0.0000000000000000, -0.0003059000000000 ] - [ -0.0012590700000000, -0.0001906900000000, -0.0008608500000000 ] - [ -0.0012590700000000, 0.0001906900000000, -0.0008608500000000 ] - [ -0.0008040400000000, -0.0001194200000000, 0.0003778400000000 ] - [ -0.0004916900000000, 0.0000000000000000, -0.0004195100000000 ] - [ -0.0008040400000000, 0.0001194200000000, 0.0003778400000000 ] - [ 0.0579928200000000, 0.0000000000000000, -0.0452754500000000 ] - [ 0.0011503900000000, -0.0004339600000000, -0.0016977800000000 ] - [ 0.0011503900000000, 0.0004339600000000, -0.0016977800000000 ] - [ -0.0008611200000000, -0.0002257600000000, -0.0018316700000000 ] - [ -0.0006926600000000, 0.0000000000000000, -0.0026311100000000 ] - [ -0.0008611200000000, 0.0002257600000000, -0.0018316700000000 ] - [ 0.0015643200000000, 0.0000000000000000, -0.0014487800000000 ] - [ 0.0013356100000000, 0.0000400700000000, -0.0005832800000000 ] - [ 0.0013356100000000, -0.0000400700000000, -0.0005832800000000 ] - [ 0.0001002700000000, 0.0001042100000000, -0.0006796700000000 ] - [ 0.0000539600000000, 0.0000000000000000, -0.0007940000000000 ] - [ 0.0001002700000000, -0.0001042100000000, -0.0006796700000000 ] - [ -0.1000239200000000, 0.0000000000000000, 0.0642995500000000 ] - [ -0.0018638500000000, -0.0004494400000000, 0.0009543200000000 ] - [ -0.0018638500000000, 0.0004494400000000, 0.0009543200000000 ] - [ -0.0021691600000000, 0.0054506800000000, -0.0026679500000000 ] - [ -0.0007067800000000, 0.0000000000000000, 0.0010342400000000 ] - [ -0.0021691600000000, -0.0054506800000000, -0.0026679500000000 ] - [ -0.0019284500000000, 0.0000000000000000, -0.0006754900000000 ] - [ -0.0006078200000000, 0.0002284500000000, 0.0000392300000000 ] - [ -0.0006078200000000, -0.0002284500000000, 0.0000392300000000 ] - [ -0.0010292800000000, 0.0000000000000000, -0.0025368900000000 ] - [ -0.0007947000000000, 0.0000089600000000, -0.0021185300000000 ] - [ -0.0007947000000000, -0.0000089600000000, -0.0021185300000000 ] - [ 0.0030824500000000, -0.0064043700000000, -0.0029375900000000 ] - [ -0.0014546700000000, 0.0000000000000000, 0.0018986800000000 ] - [ 0.0030824500000000, 0.0064043700000000, -0.0029375900000000 ] - [ 0.0000667600000000, -0.0000070700000000, -0.0012669500000000 ] - [ 0.0002024000000000, 0.0000000000000000, -0.0009988800000000 ] - [ 0.0000667600000000, 0.0000070700000000, -0.0012669500000000 ] - [ -0.0008584000000000, -0.0000608100000000, 0.0000642700000000 ] - [ -0.0003962400000000, 0.0000000000000000, 0.0003376500000000 ] - [ -0.0008584000000000, 0.0000608100000000, 0.0000642700000000 ] - [ 0.0033548900000000, 0.0000000000000000, -0.0002028600000000 ] - [ 0.0016590900000000, -0.0012955900000000, -0.0001821300000000 ] - [ 0.0016590900000000, 0.0012955900000000, -0.0001821300000000 ] - [ 0.0018590900000000, 0.0006248700000000, 0.0019472900000000 ] - [ 0.0007214300000000, 0.0000000000000000, 0.0009754500000000 ] - [ 0.0018590900000000, -0.0006248700000000, 0.0019472900000000 ] - [ -0.0004931900000000, 0.0001231200000000, -0.0007525100000000 ] - [ -0.0003066800000000, 0.0000000000000000, -0.0003141600000000 ] - [ -0.0004931900000000, -0.0001231200000000, -0.0007525100000000 ] - [ -0.0000814400000000, 0.0000000000000000, 0.0002951800000000 ] - [ 0.0000438500000000, 0.0003700100000000, 0.0002335500000000 ] - [ 0.0000438500000000, -0.0003700100000000, 0.0002335500000000 ] - [ -0.0006101200000000, 0.0000000000000000, -0.0009773600000000 ] - [ -0.0005257700000000, 0.0000542100000000, -0.0008471600000000 ] - [ -0.0005257700000000, -0.0000542100000000, -0.0008471600000000 ] - [ -0.0005556200000000, -0.0000655100000000, -0.0005590600000000 ] - [ -0.0006048800000000, 0.0000000000000000, -0.0003498600000000 ] - [ -0.0005556200000000, 0.0000655100000000, -0.0005590600000000 ] - [ 0.0009797400000000, 0.0000000000000000, -0.0004721800000000 ] - [ 0.0008870700000000, 0.0001755200000000, -0.0002734700000000 ] - [ 0.0008870700000000, -0.0001755200000000, -0.0002734700000000 ] - [ 0.0009176500000000, 0.0000000000000000, 0.0017518400000000 ] - [ 0.0004278400000000, 0.0000267800000000, 0.0014571100000000 ] - [ 0.0004278400000000, -0.0000267800000000, 0.0014571100000000 ] - [ 0.0000180500000000, 0.0000000000000000, -0.0019594600000000 ] - [ 0.0002661900000000, -0.0000657800000000, -0.0009934200000000 ] - [ 0.0002661900000000, 0.0000657800000000, -0.0009934200000000 ] - [ 0.0021122700000000, 0.0006828700000000, 0.0016218900000000 ] - [ 0.0010993700000000, 0.0000000000000000, 0.0020450300000000 ] - [ 0.0021122700000000, -0.0006828700000000, 0.0016218900000000 ] - [ 0.0010220200000000, -0.0000476800000000, -0.0013572600000000 ] - [ 0.0007249800000000, 0.0000000000000000, -0.0009027100000000 ] - [ 0.0010220200000000, 0.0000476800000000, -0.0013572600000000 ] - [ 0.0000809300000000, 0.0000000000000000, -0.0006713300000000 ] - [ -0.0000426300000000, 0.0001754800000000, -0.0005331200000000 ] - [ -0.0000426300000000, -0.0001754800000000, -0.0005331200000000 ] - [ 0.0000724200000000, -0.0000648000000000, -0.0006045600000000 ] - [ -0.0002230500000000, 0.0000000000000000, -0.0005855900000000 ] - [ 0.0000724200000000, 0.0000648000000000, -0.0006045600000000 ] - [ 0.0448062100000000, 0.0000000000000000, -0.0203813600000000 ] - [ -0.0005579800000000, 0.0007819000000000, 0.0007545800000000 ] - [ -0.0005579800000000, -0.0007819000000000, 0.0007545800000000 ] - [ -0.0003931500000000, 0.0009587300000000, -0.0011899000000000 ] - [ 0.0000778700000000, 0.0000000000000000, -0.0002158100000000 ] - [ -0.0003931500000000, -0.0009587300000000, -0.0011899000000000 ] - [ -0.0151016100000000, 0.0000000000000000, 0.0087105900000000 ] - [ 0.0005575900000000, 0.0000019100000000, 0.0015488700000000 ] - [ 0.0005575900000000, -0.0000019100000000, 0.0015488700000000 ]- atom: 73 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0000384800000000, 0.0000000600000000, 0.0006005300000000 ] - [ 0.0000384800000000, -0.0000000600000000, 0.0006005300000000 ] - [ -0.0000945200000000, 0.0000000000000000, 0.0003146100000000 ] - [ -0.0000696900000000, 0.0000000000000000, 0.0003257000000000 ] - [ -0.0001540700000000, 0.0001692600000000, 0.0002967500000000 ] - [ -0.0001540700000000, -0.0001692600000000, 0.0002967500000000 ] - [ -0.0003003100000000, -0.0001059000000000, -0.0003614800000000 ] - [ -0.0003003100000000, 0.0001059000000000, -0.0003614800000000 ] - [ -0.0000242800000000, 0.0000000000000000, -0.0003384700000000 ] - [ -0.0034738300000000, 0.0000000000000000, -0.0011468200000000 ] - [ -0.0005312500000000, -0.0006824200000000, -0.0005919800000000 ] - [ -0.0005312500000000, 0.0006824200000000, -0.0005919800000000 ] - [ 0.0001815500000000, -0.0023361800000000, 0.0016606900000000 ] - [ 0.0001815500000000, 0.0023361800000000, 0.0016606900000000 ] - [ 0.0004423500000000, 0.0000000000000000, 0.0002060200000000 ] - [ 0.0214302400000000, -0.0069849300000000, -0.0073311100000000 ] - [ 0.0214302400000000, 0.0069849300000000, -0.0073311100000000 ] - [ 0.0015021200000000, 0.0000000000000000, 0.0005961100000000 ] - [ 0.0087653400000000, 0.0000000000000000, 0.0089767400000000 ] - [ 0.0020932100000000, 0.0016707700000000, -0.0012919100000000 ] - [ 0.0020932100000000, -0.0016707700000000, -0.0012919100000000 ] - [ -0.0037731300000000, 0.0000000000000000, -0.0085853000000000 ] - [ 0.0039133000000000, 0.0032525600000000, 0.0001868600000000 ] - [ 0.0039133000000000, -0.0032525600000000, 0.0001868600000000 ] - [ 0.0021356100000000, 0.0000000000000000, -0.0031287900000000 ] - [ 0.0008774700000000, 0.0006989200000000, 0.0001227700000000 ] - [ 0.0008774700000000, -0.0006989200000000, 0.0001227700000000 ] - [ -0.0038370200000000, -0.0026461400000000, 0.0010946900000000 ] - [ -0.0038370200000000, 0.0026461400000000, 0.0010946900000000 ] - [ -0.0014538600000000, 0.0000000000000000, -0.0003212100000000 ] - [ -0.0043728200000000, -0.0028323300000000, -0.0005321800000000 ] - [ -0.0043728200000000, 0.0028323300000000, -0.0005321800000000 ] - [ -0.0017509800000000, 0.0000000000000000, 0.0005048300000000 ] - [ -0.0005791800000000, -0.0002420600000000, -0.0007817400000000 ] - [ -0.0005791800000000, 0.0002420600000000, -0.0007817400000000 ] - [ -0.0003203700000000, 0.0000000000000000, -0.0007286600000000 ] - [ -0.0018980000000000, 0.0000000000000000, 0.0027068800000000 ] - [ -0.0013183300000000, -0.0003110900000000, 0.0021610700000000 ] - [ -0.0013183300000000, 0.0003110900000000, 0.0021610700000000 ] - [ 0.0020468600000000, 0.0000000000000000, -0.0012089600000000 ] - [ 0.0000840600000000, 0.0001689800000000, -0.0011883300000000 ] - [ 0.0000840600000000, -0.0001689800000000, -0.0011883300000000 ] - [ -0.0001596400000000, 0.0000000000000000, 0.0009158200000000 ] - [ -0.0000553700000000, -0.0000663000000000, 0.0006159100000000 ] - [ -0.0000553700000000, 0.0000663000000000, 0.0006159100000000 ] - [ 0.0032116700000000, 0.0005024500000000, -0.0003062600000000 ] - [ 0.0032116700000000, -0.0005024500000000, -0.0003062600000000 ] - [ 0.0003773200000000, 0.0000000000000000, 0.0006457900000000 ] - [ -0.0007482700000000, 0.0000000000000000, 0.0002234700000000 ] - [ -0.0000680100000000, 0.0000328800000000, 0.0001265000000000 ] - [ -0.0000680100000000, -0.0000328800000000, 0.0001265000000000 ] - [ -0.0011866800000000, 0.0004239300000000, 0.0001879900000000 ] - [ -0.0011866800000000, -0.0004239300000000, 0.0001879900000000 ] - [ 0.0001775000000000, 0.0000000000000000, -0.0004932300000000 ] - [ -0.0060682900000000, 0.0000000000000000, -0.0013540300000000 ] - [ -0.0051845500000000, 0.0011076800000000, -0.0006307300000000 ] - [ -0.0051845500000000, -0.0011076800000000, -0.0006307300000000 ] - [ 0.0029399700000000, 0.0008616200000000, -0.0053420800000000 ] - [ 0.0029399700000000, -0.0008616200000000, -0.0053420800000000 ] - [ 0.0004134100000000, 0.0000000000000000, -0.0012043000000000 ] - [ -0.0008518000000000, 0.0000000000000000, -0.0014177500000000 ] - [ -0.0008210900000000, -0.0005235800000000, -0.0013199900000000 ] - [ -0.0008210900000000, 0.0005235800000000, -0.0013199900000000 ] - [ -0.0001903800000000, 0.0004310500000000, -0.0032846700000000 ] - [ -0.0001903800000000, -0.0004310500000000, -0.0032846700000000 ] - [ 0.0006595000000000, 0.0000000000000000, -0.0005410000000000 ] - [ -0.0000247300000000, 0.0000000000000000, -0.0006397000000000 ] - [ -0.0000266200000000, 0.0000856600000000, -0.0003090800000000 ] - [ -0.0000266200000000, -0.0000856600000000, -0.0003090800000000 ] - [ -0.0040173400000000, 0.0003224100000000, 0.0017465400000000 ] - [ -0.0040173400000000, -0.0003224100000000, 0.0017465400000000 ] - [ -0.0010080500000000, 0.0000000000000000, 0.0009416400000000 ] - [ -0.0543739400000000, 0.0000000000000000, 0.0142428500000000 ] - [ -0.0067964600000000, 0.0037818400000000, 0.0041604900000000 ] - [ -0.0067964600000000, -0.0037818400000000, 0.0041604900000000 ] - [ -0.0057736300000000, 0.0030674600000000, 0.0020404100000000 ] - [ -0.0057736300000000, -0.0030674600000000, 0.0020404100000000 ] - [ -0.0017366100000000, 0.0000000000000000, 0.0005996200000000 ] - [ -0.0017493500000000, 0.0002074800000000, -0.0019742000000000 ] - [ -0.0017493500000000, -0.0002074800000000, -0.0019742000000000 ] - [ -0.0011131000000000, 0.0000000000000000, -0.0021756200000000 ] - [ -0.0034576400000000, 0.0000000000000000, -0.0080914300000000 ] - [ -0.0009859600000000, -0.0004580700000000, 0.0016190200000000 ] - [ -0.0009859600000000, 0.0004580700000000, 0.0016190200000000 ] - [ 0.0007432000000000, 0.0000000000000000, 0.0004298800000000 ] - [ 0.0003153900000000, -0.0000825600000000, -0.0004120600000000 ] - [ 0.0003153900000000, 0.0000825600000000, -0.0004120600000000 ] - [ -0.0003056100000000, 0.0000000000000000, 0.0007207100000000 ] - [ -0.0001259400000000, -0.0000555200000000, 0.0006618500000000 ] - [ -0.0001259400000000, 0.0000555200000000, 0.0006618500000000 ] - [ 0.0018859900000000, 0.0033488800000000, -0.0010345500000000 ] - [ 0.0018859900000000, -0.0033488800000000, -0.0010345500000000 ] - [ -0.0000255800000000, 0.0000000000000000, 0.0004497200000000 ] - [ 0.0057507700000000, 0.0000000000000000, -0.0016358100000000 ] - [ -0.0000828900000000, -0.0009827600000000, -0.0001256100000000 ] - [ -0.0000828900000000, 0.0009827600000000, -0.0001256100000000 ] - [ 0.0059386800000000, 0.0000000000000000, 0.0135721300000000 ] - [ -0.0006042100000000, -0.0006189100000000, -0.0001202700000000 ] - [ -0.0006042100000000, 0.0006189100000000, -0.0001202700000000 ] - [ 0.0042646700000000, 0.0088385400000000, -0.0011941800000000 ] - [ 0.0042646700000000, -0.0088385400000000, -0.0011941800000000 ] - [ 0.0008115900000000, 0.0000000000000000, 0.0001884200000000 ] - [ -0.0003851800000000, 0.0010719800000000, 0.0002151500000000 ] - [ -0.0003851800000000, -0.0010719800000000, 0.0002151500000000 ] - [ -0.0001143800000000, 0.0000000000000000, -0.0004514800000000 ] - [ -0.0000031900000000, 0.0000000000000000, -0.0001758200000000 ] - [ -0.0003572900000000, -0.0001525600000000, 0.0000117100000000 ] - [ -0.0003572900000000, 0.0001525600000000, 0.0000117100000000 ] - [ 0.0004378100000000, -0.0000843900000000, -0.0009986400000000 ] - [ 0.0004378100000000, 0.0000843900000000, -0.0009986400000000 ] - [ 0.0001712100000000, 0.0000000000000000, -0.0003252800000000 ] - [ 0.0003279800000000, 0.0000958900000000, 0.0003411900000000 ] - [ 0.0003279800000000, -0.0000958900000000, 0.0003411900000000 ] - [ -0.0002348300000000, 0.0000000000000000, 0.0005884200000000 ] - [ 0.0001319900000000, 0.0003209700000000, -0.0005089600000000 ] - [ 0.0001319900000000, -0.0003209700000000, -0.0005089600000000 ] - [ 0.0006206300000000, 0.0000000000000000, -0.0004369400000000 ] - [ 0.0034023100000000, 0.0000000000000000, 0.0029739000000000 ] - [ 0.0033163300000000, -0.0009563500000000, 0.0032739800000000 ] - [ 0.0033163300000000, 0.0009563500000000, 0.0032739800000000 ] - [ 0.0038337200000000, 0.0000000000000000, -0.0024261600000000 ] - [ 0.0030047000000000, -0.0009092000000000, -0.0022379000000000 ] - [ 0.0030047000000000, 0.0009092000000000, -0.0022379000000000 ] - [ 0.0011059200000000, -0.0002043500000000, -0.0001412100000000 ] - [ 0.0011059200000000, 0.0002043500000000, -0.0001412100000000 ] - [ 0.0004094600000000, 0.0000000000000000, -0.0002703900000000 ] - [ 0.0002913800000000, 0.0000000000000000, -0.0004758900000000 ] - [ 0.0003057300000000, -0.0001482600000000, -0.0003463700000000 ] - [ 0.0003057300000000, 0.0001482600000000, -0.0003463700000000 ] - [ 0.0009895800000000, -0.0034033900000000, 0.0028877900000000 ] - [ 0.0009895800000000, 0.0034033900000000, 0.0028877900000000 ] - [ -0.0002894500000000, 0.0000000000000000, 0.0004433300000000 ] - [ 0.0063778400000000, 0.0000000000000000, -0.0018278100000000 ] - [ 0.0069776500000000, 0.0047313600000000, -0.0008438000000000 ] - [ 0.0069776500000000, -0.0047313600000000, -0.0008438000000000 ] - [ 0.0004979100000000, 0.0002513900000000, 0.0028786200000000 ] - [ 0.0004979100000000, -0.0002513900000000, 0.0028786200000000 ] - [ 0.0008476900000000, 0.0000000000000000, 0.0014718100000000 ]- atom: 73 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0004459500000000, 0.0000005100000000, -0.0003589600000000 ] - [ -0.0004459500000000, -0.0000005100000000, -0.0003589600000000 ] - [ -0.0003138800000000, 0.0000000000000000, -0.0000707000000000 ] - [ -0.0001582400000000, 0.0000000000000000, 0.0001384900000000 ] - [ -0.0000743500000000, -0.0001696100000000, 0.0001623700000000 ] - [ -0.0000743500000000, 0.0001696100000000, 0.0001623700000000 ] - [ 0.0005296800000000, 0.0001063100000000, -0.0000910800000000 ] - [ 0.0005296800000000, -0.0001063100000000, -0.0000910800000000 ] - [ 0.0002525100000000, 0.0000000000000000, -0.0001178800000000 ] - [ 0.0038511900000000, 0.0000000000000000, 0.0008870900000000 ] - [ 0.0009400900000000, 0.0006804700000000, 0.0003521400000000 ] - [ 0.0009400900000000, -0.0006804700000000, 0.0003521400000000 ] - [ 0.0000114300000000, 0.0023426500000000, -0.0007852000000000 ] - [ 0.0000114300000000, -0.0023426500000000, -0.0007852000000000 ] - [ -0.0002508800000000, 0.0000000000000000, 0.0006673300000000 ] - [ -0.0201294500000000, 0.0064081800000000, 0.0068415100000000 ] - [ -0.0201294500000000, -0.0064081800000000, 0.0068415100000000 ] - [ -0.0005051100000000, 0.0000000000000000, -0.0008266700000000 ] - [ -0.0087902000000000, 0.0000000000000000, -0.0070148900000000 ] - [ -0.0019936300000000, -0.0016608100000000, 0.0031368100000000 ] - [ -0.0019936300000000, 0.0016608100000000, 0.0031368100000000 ] - [ 0.0044488300000000, 0.0000000000000000, 0.0075755100000000 ] - [ -0.0029094100000000, -0.0032637400000000, -0.0010569200000000 ] - [ -0.0029094100000000, 0.0032637400000000, -0.0010569200000000 ] - [ -0.0011421800000000, 0.0000000000000000, 0.0032672900000000 ] - [ 0.0001300900000000, -0.0007037600000000, -0.0000144400000000 ] - [ 0.0001300900000000, 0.0007037600000000, -0.0000144400000000 ] - [ 0.0028361900000000, 0.0026759800000000, -0.0012144600000000 ] - [ 0.0028361900000000, -0.0026759800000000, -0.0012144600000000 ] - [ 0.0004471200000000, 0.0000000000000000, 0.0002128000000000 ] - [ 0.0033711300000000, 0.0028675200000000, 0.0014102500000000 ] - [ 0.0033711300000000, -0.0028675200000000, 0.0014102500000000 ] - [ 0.0007362400000000, 0.0000000000000000, 0.0003687600000000 ] - [ 0.0004727600000000, 0.0002437600000000, -0.0010624600000000 ] - [ 0.0004727600000000, -0.0002437600000000, -0.0010624600000000 ] - [ 0.0002114400000000, 0.0000000000000000, -0.0011195300000000 ] - [ 0.0008967600000000, 0.0000000000000000, -0.0024673800000000 ] - [ 0.0003054700000000, 0.0003123200000000, -0.0019401800000000 ] - [ 0.0003054700000000, -0.0003123200000000, -0.0019401800000000 ] - [ -0.0022373500000000, 0.0000000000000000, 0.0003425000000000 ] - [ -0.0002728000000000, -0.0001690200000000, 0.0003205800000000 ] - [ -0.0002728000000000, 0.0001690200000000, 0.0003205800000000 ] - [ 0.0000399900000000, 0.0000000000000000, -0.0012112400000000 ] - [ -0.0000626700000000, 0.0000663700000000, -0.0009121300000000 ] - [ -0.0000626700000000, -0.0000663700000000, -0.0009121300000000 ] - [ -0.0042096300000000, -0.0005075900000000, 0.0008312100000000 ] - [ -0.0042096300000000, 0.0005075900000000, 0.0008312100000000 ] - [ -0.0013670200000000, 0.0000000000000000, -0.0001145300000000 ] - [ 0.0009772900000000, 0.0000000000000000, 0.0003847000000000 ] - [ 0.0002926100000000, -0.0000329700000000, 0.0004801800000000 ] - [ 0.0002926100000000, 0.0000329700000000, 0.0004801800000000 ] - [ 0.0009509200000000, -0.0004207400000000, -0.0007939800000000 ] - [ 0.0009509200000000, 0.0004207400000000, -0.0007939800000000 ] - [ -0.0004041600000000, 0.0000000000000000, -0.0001111000000000 ] - [ 0.0070676100000000, 0.0000000000000000, 0.0008055000000000 ] - [ 0.0062224100000000, -0.0011213600000000, 0.0001045000000000 ] - [ 0.0062224100000000, 0.0011213600000000, 0.0001045000000000 ] - [ -0.0027863900000000, -0.0008717300000000, 0.0056264100000000 ] - [ -0.0027863900000000, 0.0008717300000000, 0.0056264100000000 ] - [ -0.0002914000000000, 0.0000000000000000, 0.0015034500000000 ] - [ -0.0006623600000000, 0.0000000000000000, 0.0000569800000000 ] - [ -0.0006923700000000, 0.0005248100000000, -0.0000395500000000 ] - [ -0.0006923700000000, -0.0005248100000000, -0.0000395500000000 ] - [ 0.0027175200000000, -0.0004311000000000, 0.0032643200000000 ] - [ 0.0027175200000000, 0.0004311000000000, 0.0032643200000000 ] - [ 0.0018676700000000, 0.0000000000000000, 0.0004993400000000 ] - [ 0.0002116200000000, 0.0000000000000000, 0.0016377700000000 ] - [ 0.0002170200000000, -0.0000859600000000, 0.0013097500000000 ] - [ 0.0002170200000000, 0.0000859600000000, 0.0013097500000000 ] - [ 0.0035281900000000, -0.0003069400000000, -0.0013992100000000 ] - [ 0.0035281900000000, 0.0003069400000000, -0.0013992100000000 ] - [ 0.0005196100000000, 0.0000000000000000, -0.0005638500000000 ] - [ 0.0547682400000000, 0.0000000000000000, -0.0136115400000000 ] - [ 0.0072343400000000, -0.0037653600000000, -0.0041697000000000 ] - [ 0.0072343400000000, 0.0037653600000000, -0.0041697000000000 ] - [ 0.0047405600000000, -0.0030551500000000, -0.0008720700000000 ] - [ 0.0047405600000000, 0.0030551500000000, -0.0008720700000000 ] - [ 0.0006915700000000, 0.0000000000000000, 0.0005736200000000 ] - [ 0.0006710300000000, -0.0002112800000000, -0.0011252800000000 ] - [ 0.0006710300000000, 0.0002112800000000, -0.0011252800000000 ] - [ 0.0000277400000000, 0.0000000000000000, -0.0009317000000000 ] - [ 0.0018285100000000, 0.0000000000000000, 0.0093484900000000 ] - [ -0.0006465900000000, 0.0004571700000000, -0.0004034400000000 ] - [ -0.0006465900000000, -0.0004571700000000, -0.0004034400000000 ] - [ -0.0003914900000000, 0.0000000000000000, -0.0014505600000000 ] - [ 0.0000386000000000, 0.0000831300000000, -0.0005969400000000 ] - [ 0.0000386000000000, -0.0000831300000000, -0.0005969400000000 ] - [ -0.0002812400000000, 0.0000000000000000, 0.0002544700000000 ] - [ -0.0004599200000000, 0.0000562800000000, 0.0003160700000000 ] - [ -0.0004599200000000, -0.0000562800000000, 0.0003160700000000 ] - [ -0.0008144900000000, -0.0033392700000000, 0.0012967400000000 ] - [ -0.0008144900000000, 0.0033392700000000, 0.0012967400000000 ] - [ 0.0010920800000000, 0.0000000000000000, -0.0001834800000000 ] - [ -0.0051644800000000, 0.0000000000000000, 0.0024349100000000 ] - [ 0.0007698500000000, 0.0009913300000000, 0.0008943400000000 ] - [ 0.0007698500000000, -0.0009913300000000, 0.0008943400000000 ] - [ -0.0069122300000000, 0.0000000000000000, -0.0137251400000000 ] - [ -0.0002969900000000, 0.0006249300000000, 0.0001398300000000 ] - [ -0.0002969900000000, -0.0006249300000000, 0.0001398300000000 ] - [ -0.0033801700000000, -0.0089011300000000, 0.0011980000000000 ] - [ -0.0033801700000000, 0.0089011300000000, 0.0011980000000000 ] - [ 0.0000928800000000, 0.0000000000000000, -0.0002080700000000 ] - [ -0.0002932200000000, -0.0010825500000000, -0.0009863800000000 ] - [ -0.0002932200000000, 0.0010825500000000, -0.0009863800000000 ] - [ -0.0005664800000000, 0.0000000000000000, -0.0003125700000000 ] - [ -0.0010615700000000, 0.0000000000000000, -0.0000924200000000 ] - [ -0.0007067300000000, 0.0001535300000000, -0.0002804600000000 ] - [ -0.0007067300000000, -0.0001535300000000, -0.0002804600000000 ] - [ 0.0001502000000000, 0.0000843600000000, 0.0000185600000000 ] - [ 0.0001502000000000, -0.0000843600000000, 0.0000185600000000 ] - [ 0.0004154400000000, 0.0000000000000000, -0.0006569400000000 ] - [ -0.0006787600000000, -0.0000978100000000, 0.0006738400000000 ] - [ -0.0006787600000000, 0.0000978100000000, 0.0006738400000000 ] - [ -0.0001205300000000, 0.0000000000000000, 0.0004207500000000 ] - [ 0.0015017200000000, -0.0003226500000000, -0.0007135300000000 ] - [ 0.0015017200000000, 0.0003226500000000, -0.0007135300000000 ] - [ 0.0010117700000000, 0.0000000000000000, -0.0007838300000000 ] - [ -0.0023134300000000, 0.0000000000000000, 0.0001339500000000 ] - [ -0.0022475200000000, 0.0009671400000000, -0.0001795100000000 ] - [ -0.0022475200000000, -0.0009671400000000, -0.0001795100000000 ] - [ -0.0027718800000000, 0.0000000000000000, 0.0012435200000000 ] - [ -0.0019714600000000, 0.0009179900000000, 0.0010768000000000 ] - [ -0.0019714600000000, -0.0009179900000000, 0.0010768000000000 ] - [ -0.0015497100000000, 0.0002016400000000, 0.0001628900000000 ] - [ -0.0015497100000000, -0.0002016400000000, 0.0001628900000000 ] - [ -0.0008497600000000, 0.0000000000000000, 0.0002944800000000 ] - [ 0.0001958200000000, 0.0000000000000000, 0.0000977900000000 ] - [ 0.0001804600000000, 0.0001493900000000, -0.0000315100000000 ] - [ 0.0001804600000000, -0.0001493900000000, -0.0000315100000000 ] - [ -0.0011607200000000, 0.0033518400000000, -0.0038788400000000 ] - [ -0.0011607200000000, -0.0033518400000000, -0.0038788400000000 ] - [ 0.0001006400000000, 0.0000000000000000, -0.0014467200000000 ] - [ -0.0088105400000000, 0.0000000000000000, 0.0018158300000000 ] - [ -0.0095630800000000, -0.0047749700000000, 0.0008923100000000 ] - [ -0.0095630800000000, 0.0047749700000000, 0.0008923100000000 ] - [ 0.0010081500000000, -0.0002498000000000, -0.0015178300000000 ] - [ 0.0010081500000000, 0.0002498000000000, -0.0015178300000000 ] - [ 0.0006650300000000, 0.0000000000000000, -0.0001153100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000865200000000, 0.0001564200000000, -0.0008929800000000 ] - [ -0.0003188400000000, 0.0001570300000000, 0.0011431600000000 ] - [ -0.0002031200000000, -0.0003776700000000, 0.0001249300000000 ] - [ -0.0001136700000000, 0.0000804800000000, 0.0002325600000000 ] - [ -0.0001482400000000, -0.0000430600000000, 0.0002719700000000 ] - [ -0.0000818100000000, -0.0000445600000000, 0.0001847300000000 ] - [ 0.0003916100000000, 0.0000982100000000, 0.0000180900000000 ] - [ -0.0001652600000000, 0.0000994000000000, -0.0004758900000000 ] - [ 0.0001130100000000, -0.0001984200000000, -0.0002323100000000 ] - [ 0.0002131600000000, 0.0023996000000000, -0.0001223600000000 ] - [ -0.0004881300000000, -0.0012607300000000, -0.0012386100000000 ] - [ 0.0008882700000000, -0.0012582500000000, 0.0009845200000000 ] - [ -0.0002291000000000, 0.0005217800000000, 0.0006958000000000 ] - [ 0.0004230700000000, 0.0005439200000000, 0.0001888500000000 ] - [ 0.0000978800000000, -0.0011510500000000, 0.0004348400000000 ] - [ -0.0042756800000000, 0.0184732300000000, 0.0091512000000000 ] - [ 0.0061960600000000, 0.0199348300000000, -0.0100542500000000 ] - [ 0.0005055600000000, -0.0139216600000000, -0.0001133600000000 ] - [ 0.0000530300000000, 0.0101218100000000, 0.0009698500000000 ] - [ 0.0023724600000000, -0.0024563000000000, -0.0025697800000000 ] - [ -0.0022440800000000, -0.0024648600000000, 0.0043906000000000 ] - [ 0.0004961500000000, 0.0105059000000000, -0.0004590200000000 ] - [ 0.0047449400000000, -0.0023415600000000, 0.0005312500000000 ] - [ -0.0036790700000000, -0.0023457900000000, -0.0013990400000000 ] - [ 0.0005127100000000, 0.0022069800000000, 0.0000441000000000 ] - [ 0.0011878200000000, -0.0010793700000000, 0.0006496500000000 ] - [ -0.0001733800000000, -0.0010845600000000, -0.0005347100000000 ] - [ 0.0002691200000000, 0.0014504100000000, -0.0001456200000000 ] - [ -0.0012936500000000, 0.0014706800000000, 0.0000391700000000 ] - [ -0.0005073000000000, -0.0026231900000000, -0.0000575000000000 ] - [ 0.0000517800000000, 0.0009666400000000, 0.0004160300000000 ] - [ -0.0010992700000000, 0.0009933700000000, 0.0004538100000000 ] - [ -0.0005153000000000, -0.0020481500000000, 0.0004381800000000 ] - [ -0.0000820200000000, 0.0001441700000000, -0.0010948400000000 ] - [ -0.0000331500000000, 0.0001467400000000, -0.0007488900000000 ] - [ -0.0000565900000000, -0.0002913100000000, -0.0009215900000000 ] - [ -0.0005170400000000, 0.0045203700000000, 0.0001213700000000 ] - [ -0.0023200800000000, -0.0022977100000000, 0.0036598400000000 ] - [ 0.0012881900000000, -0.0022972100000000, -0.0034071400000000 ] - [ -0.0000877600000000, 0.0022903400000000, -0.0004357500000000 ] - [ -0.0000690500000000, -0.0011404800000000, -0.0014538600000000 ] - [ -0.0001230800000000, -0.0011446800000000, 0.0005796700000000 ] - [ -0.0000577800000000, -0.0001028500000000, -0.0001427100000000 ] - [ -0.0005030900000000, 0.0000490000000000, 0.0005745000000000 ] - [ 0.0003873900000000, 0.0000496200000000, -0.0008605300000000 ] - [ -0.0020002000000000, 0.0003378900000000, -0.0028147100000000 ] - [ 0.0010156500000000, 0.0003405400000000, 0.0033565300000000 ] - [ -0.0004885600000000, -0.0002213600000000, 0.0002714600000000 ] - [ 0.0001067300000000, -0.0000082300000000, 0.0003047900000000 ] - [ 0.0002692000000000, -0.0000001500000000, 0.0002072300000000 ] - [ -0.0000497700000000, -0.0000006000000000, 0.0004006800000000 ] - [ 0.0005333900000000, -0.0003517300000000, -0.0002147800000000 ] - [ -0.0007678600000000, -0.0003568400000000, -0.0003889200000000 ] - [ -0.0001094700000000, 0.0002449400000000, -0.0003044900000000 ] - [ 0.0004853600000000, -0.0012794100000000, -0.0002649800000000 ] - [ -0.0078874300000000, 0.0030002100000000, -0.0006363200000000 ] - [ 0.0088519600000000, 0.0029961200000000, 0.0001014000000000 ] - [ 0.0006794500000000, -0.0002334600000000, 0.0046375500000000 ] - [ -0.0005453200000000, -0.0002272200000000, -0.0043553400000000 ] - [ 0.0000602900000000, -0.0002142400000000, 0.0001405300000000 ] - [ -0.0007628100000000, -0.0001705300000000, -0.0006856600000000 ] - [ -0.0007107900000000, 0.0001131500000000, -0.0011470300000000 ] - [ -0.0008135700000000, 0.0001179600000000, -0.0002247900000000 ] - [ 0.0010218400000000, -0.0012276100000000, 0.0067850700000000 ] - [ 0.0014888400000000, -0.0012330400000000, -0.0068734800000000 ] - [ 0.0012575600000000, 0.0008865000000000, -0.0000303600000000 ] - [ 0.0000913600000000, -0.0008637400000000, 0.0004975200000000 ] - [ 0.0000622400000000, 0.0004022100000000, -0.0005312500000000 ] - [ 0.0001183800000000, 0.0004018900000000, 0.0015262000000000 ] - [ 0.0012669000000000, 0.0013726300000000, -0.0050104500000000 ] - [ -0.0017519500000000, 0.0013664400000000, 0.0054369500000000 ] - [ -0.0002469500000000, 0.0012480700000000, 0.0001927500000000 ] - [ -0.0008495900000000, -0.0721100200000000, 0.0006819700000000 ] - [ -0.0035711500000000, 0.0086486700000000, 0.0024313500000000 ] - [ 0.0040375100000000, 0.0086225300000000, -0.0024764200000000 ] - [ 0.0021320700000000, 0.0004190200000000, 0.0038650000000000 ] - [ -0.0031949500000000, 0.0004255800000000, -0.0027563000000000 ] - [ -0.0005286400000000, 0.0009379800000000, 0.0005801500000000 ] - [ 0.0015211800000000, -0.0001961100000000, 0.0016653100000000 ] - [ -0.0026064700000000, -0.0002010300000000, -0.0047891100000000 ] - [ -0.0005431300000000, 0.0003546700000000, -0.0015575300000000 ] - [ -0.0008313400000000, -0.0003826100000000, 0.0005670400000000 ] - [ -0.0008544900000000, 0.0004897400000000, 0.0020243100000000 ] - [ -0.0007807300000000, 0.0004953400000000, -0.0007983800000000 ] - [ 0.0001863600000000, -0.0000194500000000, -0.0005012600000000 ] - [ 0.0001795200000000, 0.0000055600000000, -0.0006708000000000 ] - [ 0.0001886000000000, 0.0000062700000000, -0.0003378300000000 ] - [ -0.0002887300000000, -0.0002418800000000, 0.0004817400000000 ] - [ -0.0002178100000000, 0.0001111200000000, 0.0006126100000000 ] - [ -0.0003572100000000, 0.0001112500000000, 0.0003507800000000 ] - [ -0.0003207500000000, -0.0015053200000000, 0.0007068300000000 ] - [ 0.0014018800000000, -0.0015452300000000, -0.0004528300000000 ] - [ 0.0005288000000000, 0.0015249100000000, 0.0001346100000000 ] - [ 0.0003561900000000, -0.0020967400000000, 0.0003782100000000 ] - [ -0.0007712300000000, 0.0005030700000000, 0.0005112600000000 ] - [ 0.0014441000000000, 0.0005079900000000, 0.0002525800000000 ] - [ -0.0004299400000000, -0.0007277600000000, 0.0000635800000000 ] - [ -0.0012693600000000, 0.0005894900000000, -0.0007980900000000 ] - [ 0.0003587300000000, 0.0005952500000000, 0.0008123700000000 ] - [ -0.0011420500000000, -0.0028769700000000, 0.0000600700000000 ] - [ 0.0020656500000000, -0.0029479400000000, -0.0000899000000000 ] - [ 0.0004513900000000, 0.0022026800000000, -0.0000078100000000 ] - [ -0.0004883800000000, -0.0003807100000000, -0.0000690900000000 ] - [ -0.0001893900000000, -0.0003885700000000, -0.0006905900000000 ] - [ -0.0003375600000000, 0.0008811500000000, -0.0003824700000000 ] - [ -0.0005278800000000, -0.0001309300000000, -0.0001344200000000 ] - [ -0.0006343500000000, 0.0000649300000000, 0.0000489200000000 ] - [ -0.0004255400000000, 0.0000663700000000, -0.0003147200000000 ] - [ 0.0002077800000000, 0.0000890800000000, -0.0004173200000000 ] - [ 0.0003707900000000, 0.0000892100000000, -0.0005505400000000 ] - [ 0.0002882000000000, -0.0000437900000000, -0.0004812000000000 ] - [ -0.0004260600000000, 0.0000093700000000, 0.0002343600000000 ] - [ 0.0000650200000000, 0.0000088000000000, 0.0007751500000000 ] - [ -0.0001846000000000, 0.0000262400000000, 0.0005052300000000 ] - [ 0.0006994200000000, -0.0004818300000000, -0.0005647000000000 ] - [ 0.0009279500000000, -0.0004862400000000, -0.0006559100000000 ] - [ 0.0008156900000000, 0.0009634700000000, -0.0006100200000000 ] - [ 0.0005461000000000, -0.0003300100000000, 0.0015571500000000 ] - [ 0.0037874000000000, -0.0004090300000000, 0.0039438700000000 ] - [ -0.0026915700000000, -0.0003999300000000, -0.0008249800000000 ] - [ 0.0005275700000000, 0.0002300400000000, -0.0005815900000000 ] - [ 0.0036803900000000, -0.0007198500000000, -0.0031198400000000 ] - [ -0.0026169000000000, -0.0007109400000000, 0.0019477900000000 ] - [ -0.0004164900000000, -0.0011442200000000, -0.0000070300000000 ] - [ -0.0000109300000000, -0.0011460700000000, 0.0000283900000000 ] - [ -0.0002156000000000, 0.0023388300000000, 0.0000097700000000 ] - [ 0.0002427500000000, -0.0001704200000000, -0.0001900800000000 ] - [ 0.0005807800000000, 0.0000860300000000, -0.0002885600000000 ] - [ -0.0000947100000000, 0.0000875900000000, -0.0000907800000000 ] - [ -0.0019172200000000, 0.0002132000000000, -0.0051963900000000 ] - [ 0.0017589800000000, 0.0002057800000000, 0.0042259600000000 ] - [ -0.0000898500000000, 0.0016733300000000, -0.0004956400000000 ] - [ -0.0012509300000000, -0.0083317800000000, 0.0000300800000000 ] - [ 0.0121379200000000, 0.0125461800000000, -0.0014672000000000 ] - [ -0.0145928900000000, 0.0124760200000000, 0.0015077900000000 ] - [ -0.0002267200000000, -0.0003148000000000, -0.0024257200000000 ] - [ 0.0017491400000000, -0.0003176700000000, 0.0038004200000000 ] - [ 0.0007626500000000, 0.0003031400000000, 0.0006863200000000 ]- atom: 73 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0000546800000000, -0.0000182200000000, -0.0005240400000000 ] - [ -0.0000546800000000, 0.0000182200000000, -0.0005240400000000 ] - [ -0.0001370700000000, 0.0000000000000000, -0.0003277700000000 ] - [ 0.0001522800000000, 0.0000000000000000, -0.0003286200000000 ] - [ 0.0001516100000000, -0.0002405400000000, -0.0001538700000000 ] - [ 0.0001516100000000, 0.0002405400000000, -0.0001538700000000 ] - [ 0.0001606200000000, 0.0001871600000000, -0.0003257600000000 ] - [ 0.0001606200000000, -0.0001871600000000, -0.0003257600000000 ] - [ 0.0001232600000000, 0.0000000000000000, -0.0001685800000000 ] - [ -0.0006736700000000, 0.0000000000000000, 0.0010059900000000 ] - [ 0.0003934100000000, -0.0001433700000000, 0.0009924900000000 ] - [ 0.0003934100000000, 0.0001433700000000, 0.0009924900000000 ] - [ 0.0005693900000000, 0.0036340400000000, -0.0030511500000000 ] - [ 0.0005693900000000, -0.0036340400000000, -0.0030511500000000 ] - [ 0.0000681500000000, 0.0000000000000000, -0.0001628000000000 ] - [ -0.0111346100000000, 0.0105154200000000, 0.0212893900000000 ] - [ -0.0111346100000000, -0.0105154200000000, 0.0212893900000000 ] - [ 0.0002160500000000, 0.0000000000000000, 0.0006789400000000 ] - [ 0.0018239700000000, 0.0000000000000000, -0.0096684300000000 ] - [ 0.0002601600000000, -0.0047468300000000, 0.0052495800000000 ] - [ 0.0002601600000000, 0.0047468300000000, 0.0052495800000000 ] - [ -0.0021521500000000, 0.0000000000000000, 0.0081972700000000 ] - [ -0.0011226900000000, 0.0007299100000000, 0.0007180900000000 ] - [ -0.0011226900000000, -0.0007299100000000, 0.0007180900000000 ] - [ 0.0001050200000000, 0.0000000000000000, -0.0022376300000000 ] - [ 0.0002916800000000, 0.0002739100000000, -0.0016069800000000 ] - [ 0.0002916800000000, -0.0002739100000000, -0.0016069800000000 ] - [ 0.0008896400000000, 0.0021873400000000, 0.0037149400000000 ] - [ 0.0008896400000000, -0.0021873400000000, 0.0037149400000000 ] - [ 0.0000414100000000, 0.0000000000000000, 0.0020587400000000 ] - [ -0.0003569600000000, 0.0001307300000000, -0.0005376300000000 ] - [ -0.0003569600000000, -0.0001307300000000, -0.0005376300000000 ] - [ -0.0000334700000000, 0.0000000000000000, -0.0002409300000000 ] - [ -0.0004173400000000, 0.0002522600000000, -0.0034667100000000 ] - [ -0.0004173400000000, -0.0002522600000000, -0.0034667100000000 ] - [ -0.0003390800000000, 0.0000000000000000, -0.0028788200000000 ] - [ 0.0003634200000000, 0.0000000000000000, -0.0020394000000000 ] - [ -0.0002670300000000, 0.0003254300000000, -0.0021685100000000 ] - [ -0.0002670300000000, -0.0003254300000000, -0.0021685100000000 ] - [ -0.0038179900000000, 0.0000000000000000, -0.0023683600000000 ] - [ -0.0009040600000000, -0.0011991100000000, -0.0012911600000000 ] - [ -0.0009040600000000, 0.0011991100000000, -0.0012911600000000 ] - [ -0.0003502000000000, 0.0000000000000000, -0.0024958300000000 ] - [ -0.0003834000000000, 0.0001055400000000, -0.0021689400000000 ] - [ -0.0003834000000000, -0.0001055400000000, -0.0021689400000000 ] - [ 0.0001797800000000, 0.0000356500000000, -0.0027168800000000 ] - [ 0.0001797800000000, -0.0000356500000000, -0.0027168800000000 ] - [ -0.0006306800000000, 0.0000000000000000, -0.0005224000000000 ] - [ -0.0002772100000000, 0.0000000000000000, -0.0012389600000000 ] - [ -0.0002447800000000, -0.0000139900000000, -0.0005164400000000 ] - [ -0.0002447800000000, 0.0000139900000000, -0.0005164400000000 ] - [ 0.0042237800000000, -0.0011363500000000, -0.0010170000000000 ] - [ 0.0042237800000000, 0.0011363500000000, -0.0010170000000000 ] - [ 0.0008112200000000, 0.0000000000000000, 0.0000667900000000 ] - [ 0.0040976200000000, 0.0000000000000000, 0.0013826000000000 ] - [ 0.0049378200000000, -0.0011955700000000, 0.0012421000000000 ] - [ 0.0049378200000000, 0.0011955700000000, 0.0012421000000000 ] - [ -0.0067447700000000, -0.0000676700000000, 0.0019966700000000 ] - [ -0.0067447700000000, 0.0000676700000000, 0.0019966700000000 ] - [ -0.0009233800000000, 0.0000000000000000, 0.0020071800000000 ] - [ -0.0006281300000000, 0.0000000000000000, 0.0011869700000000 ] - [ -0.0006424600000000, 0.0008044000000000, 0.0011393100000000 ] - [ -0.0006424600000000, -0.0008044000000000, 0.0011393100000000 ] - [ 0.0008364300000000, -0.0001583700000000, 0.0015327800000000 ] - [ 0.0008364300000000, 0.0001583700000000, 0.0015327800000000 ] - [ 0.0012885800000000, 0.0000000000000000, 0.0003970500000000 ] - [ -0.0000343800000000, 0.0000000000000000, 0.0023554000000000 ] - [ 0.0000826700000000, -0.0001310600000000, 0.0022014400000000 ] - [ 0.0000826700000000, 0.0001310600000000, 0.0022014400000000 ] - [ 0.0029541800000000, -0.0055959000000000, 0.0030356200000000 ] - [ 0.0029541800000000, 0.0055959000000000, 0.0030356200000000 ] - [ 0.0010844100000000, 0.0000000000000000, -0.0007619600000000 ] - [ 0.0272054300000000, 0.0000000000000000, -0.0513918400000000 ] - [ 0.0059744800000000, -0.0032732800000000, -0.0047073200000000 ] - [ 0.0059744800000000, 0.0032732800000000, -0.0047073200000000 ] - [ 0.0006926000000000, 0.0022965200000000, 0.0030572000000000 ] - [ 0.0006926000000000, -0.0022965200000000, 0.0030572000000000 ] - [ -0.0004885000000000, 0.0000000000000000, 0.0010849700000000 ] - [ 0.0001859200000000, -0.0000977100000000, 0.0003865800000000 ] - [ 0.0001859200000000, 0.0000977100000000, 0.0003865800000000 ] - [ -0.0002271700000000, 0.0000000000000000, -0.0008874000000000 ] - [ 0.0038984600000000, 0.0000000000000000, 0.0152263500000000 ] - [ -0.0005724200000000, 0.0011358100000000, 0.0000720600000000 ] - [ -0.0005724200000000, -0.0011358100000000, 0.0000720600000000 ] - [ 0.0004717000000000, 0.0000000000000000, 0.0011235600000000 ] - [ 0.0003318200000000, 0.0000470200000000, 0.0005853000000000 ] - [ 0.0003318200000000, -0.0000470200000000, 0.0005853000000000 ] - [ 0.0007478100000000, 0.0000000000000000, 0.0017423300000000 ] - [ -0.0000614400000000, 0.0001496600000000, 0.0011323600000000 ] - [ -0.0000614400000000, -0.0001496600000000, 0.0011323600000000 ] - [ -0.0041568900000000, -0.0073413300000000, 0.0029721700000000 ] - [ -0.0041568900000000, 0.0073413300000000, 0.0029721700000000 ] - [ -0.0000198800000000, 0.0000000000000000, 0.0002020300000000 ] - [ -0.0051166900000000, 0.0000000000000000, -0.0050050300000000 ] - [ 0.0001504800000000, 0.0006741100000000, -0.0014170600000000 ] - [ 0.0001504800000000, -0.0006741100000000, -0.0014170600000000 ] - [ -0.0009546900000000, 0.0000000000000000, 0.0015816700000000 ] - [ -0.0005764400000000, -0.0001235600000000, 0.0006552800000000 ] - [ -0.0005764400000000, 0.0001235600000000, 0.0006552800000000 ] - [ 0.0021596600000000, 0.0025499300000000, -0.0011931900000000 ] - [ 0.0021596600000000, -0.0025499300000000, -0.0011931900000000 ] - [ 0.0011867500000000, 0.0000000000000000, -0.0006062800000000 ] - [ 0.0001002400000000, 0.0001362200000000, 0.0004669500000000 ] - [ 0.0001002400000000, -0.0001362200000000, 0.0004669500000000 ] - [ 0.0000155100000000, 0.0000000000000000, 0.0003303600000000 ] - [ -0.0005702200000000, 0.0000000000000000, 0.0010453800000000 ] - [ -0.0004169500000000, 0.0001293800000000, 0.0005497800000000 ] - [ -0.0004169500000000, -0.0001293800000000, 0.0005497800000000 ] - [ -0.0007391000000000, 0.0003126400000000, 0.0006195300000000 ] - [ -0.0007391000000000, -0.0003126400000000, 0.0006195300000000 ] - [ 0.0000064100000000, 0.0000000000000000, -0.0005775700000000 ] - [ -0.0017766500000000, 0.0000537600000000, -0.0011849600000000 ] - [ -0.0017766500000000, -0.0000537600000000, -0.0011849600000000 ] - [ -0.0005399900000000, 0.0000000000000000, -0.0004861300000000 ] - [ 0.0017978500000000, -0.0008755500000000, 0.0007781600000000 ] - [ 0.0017978500000000, 0.0008755500000000, 0.0007781600000000 ] - [ 0.0009747300000000, 0.0000000000000000, 0.0004163100000000 ] - [ -0.0010724500000000, 0.0000000000000000, -0.0003712400000000 ] - [ -0.0014078800000000, 0.0007370500000000, -0.0007747000000000 ] - [ -0.0014078800000000, -0.0007370500000000, -0.0007747000000000 ] - [ -0.0003576800000000, 0.0000000000000000, -0.0001321200000000 ] - [ -0.0006743200000000, 0.0003351600000000, 0.0002973800000000 ] - [ -0.0006743200000000, -0.0003351600000000, 0.0002973800000000 ] - [ -0.0006909300000000, 0.0000305600000000, 0.0009896700000000 ] - [ -0.0006909300000000, -0.0000305600000000, 0.0009896700000000 ] - [ -0.0006536000000000, 0.0000000000000000, 0.0009146800000000 ] - [ 0.0004999400000000, 0.0000000000000000, 0.0006300800000000 ] - [ 0.0003973200000000, 0.0001137500000000, 0.0004358800000000 ] - [ 0.0003973200000000, -0.0001137500000000, 0.0004358800000000 ] - [ 0.0012243400000000, -0.0024142700000000, -0.0061989000000000 ] - [ 0.0012243400000000, 0.0024142700000000, -0.0061989000000000 ] - [ 0.0001785300000000, 0.0000000000000000, -0.0023725700000000 ] - [ -0.0054090300000000, 0.0000000000000000, -0.0003130000000000 ] - [ -0.0083823100000000, -0.0045312600000000, 0.0004955600000000 ] - [ -0.0083823100000000, 0.0045312600000000, 0.0004955600000000 ] - [ 0.0023919100000000, 0.0000669000000000, 0.0004710900000000 ] - [ 0.0023919100000000, -0.0000669000000000, 0.0004710900000000 ] - [ 0.0008273100000000, 0.0000000000000000, -0.0001632500000000 ]- atom: 73 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0003493500000000, 0.0000177200000000, 0.0007671400000000 ] - [ -0.0003493500000000, -0.0000177200000000, 0.0007671400000000 ] - [ -0.0002663100000000, 0.0000000000000000, 0.0005766800000000 ] - [ -0.0003762100000000, 0.0000000000000000, 0.0007890900000000 ] - [ -0.0003771900000000, 0.0002384700000000, 0.0006082200000000 ] - [ -0.0003771900000000, -0.0002384700000000, 0.0006082200000000 ] - [ 0.0000688700000000, -0.0001860600000000, -0.0001249200000000 ] - [ 0.0000688700000000, 0.0001860600000000, -0.0001249200000000 ] - [ 0.0001049600000000, 0.0000000000000000, -0.0002958800000000 ] - [ 0.0010989500000000, 0.0000000000000000, -0.0012429300000000 ] - [ 0.0000122500000000, 0.0001447000000000, -0.0012339600000000 ] - [ 0.0000122500000000, -0.0001447000000000, -0.0012339600000000 ] - [ -0.0003802100000000, -0.0036096300000000, 0.0038940500000000 ] - [ -0.0003802100000000, 0.0036096300000000, 0.0038940500000000 ] - [ 0.0001225500000000, 0.0000000000000000, 0.0010278400000000 ] - [ 0.0124264200000000, -0.0110252000000000, -0.0215867700000000 ] - [ 0.0124264200000000, 0.0110252000000000, -0.0215867700000000 ] - [ 0.0007854400000000, 0.0000000000000000, -0.0009008900000000 ] - [ -0.0020515100000000, 0.0000000000000000, 0.0120060300000000 ] - [ -0.0001533300000000, 0.0047169000000000, -0.0033764700000000 ] - [ -0.0001533300000000, -0.0047169000000000, -0.0033764700000000 ] - [ 0.0030472100000000, 0.0000000000000000, -0.0091269600000000 ] - [ 0.0021538500000000, -0.0007174100000000, -0.0015843200000000 ] - [ 0.0021538500000000, 0.0007174100000000, -0.0015843200000000 ] - [ 0.0009149200000000, 0.0000000000000000, 0.0023137200000000 ] - [ 0.0007218700000000, -0.0002694400000000, 0.0017051300000000 ] - [ 0.0007218700000000, 0.0002694400000000, 0.0017051300000000 ] - [ -0.0018946800000000, -0.0021728800000000, -0.0037846300000000 ] - [ -0.0018946800000000, 0.0021728800000000, -0.0037846300000000 ] - [ -0.0010465300000000, 0.0000000000000000, -0.0021501300000000 ] - [ -0.0006746100000000, -0.0001434700000000, 0.0014046400000000 ] - [ -0.0006746100000000, 0.0001434700000000, 0.0014046400000000 ] - [ -0.0009852000000000, 0.0000000000000000, 0.0011120700000000 ] - [ 0.0003014600000000, -0.0002510600000000, 0.0015987500000000 ] - [ 0.0003014600000000, 0.0002510600000000, 0.0015987500000000 ] - [ 0.0002250700000000, 0.0000000000000000, 0.0010165900000000 ] - [ -0.0013830700000000, 0.0000000000000000, 0.0022635300000000 ] - [ -0.0007531000000000, -0.0003198900000000, 0.0023851200000000 ] - [ -0.0007531000000000, 0.0003198900000000, 0.0023851200000000 ] - [ 0.0035965000000000, 0.0000000000000000, 0.0014874700000000 ] - [ 0.0007044600000000, 0.0011930500000000, 0.0004123200000000 ] - [ 0.0007044600000000, -0.0011930500000000, 0.0004123200000000 ] - [ 0.0002251200000000, 0.0000000000000000, 0.0021824800000000 ] - [ 0.0002587100000000, -0.0001047900000000, 0.0018588300000000 ] - [ 0.0002587100000000, 0.0001047900000000, 0.0018588300000000 ] - [ -0.0011816600000000, -0.0000354300000000, 0.0032492600000000 ] - [ -0.0011816600000000, 0.0000354300000000, 0.0032492600000000 ] - [ -0.0003558900000000, 0.0000000000000000, 0.0010516300000000 ] - [ 0.0004965400000000, 0.0000000000000000, 0.0018307300000000 ] - [ 0.0004669500000000, 0.0000140000000000, 0.0011139200000000 ] - [ 0.0004669500000000, -0.0000140000000000, 0.0011139200000000 ] - [ -0.0044064600000000, 0.0011257000000000, 0.0004036500000000 ] - [ -0.0044064600000000, -0.0011257000000000, 0.0004036500000000 ] - [ -0.0010268200000000, 0.0000000000000000, -0.0006679500000000 ] - [ -0.0030887400000000, 0.0000000000000000, -0.0018970900000000 ] - [ -0.0039167400000000, 0.0011841000000000, -0.0017652300000000 ] - [ -0.0039167400000000, -0.0011841000000000, -0.0017652300000000 ] - [ 0.0068168200000000, 0.0000578800000000, -0.0016637800000000 ] - [ 0.0068168200000000, -0.0000578800000000, -0.0016637800000000 ] - [ 0.0010329200000000, 0.0000000000000000, -0.0016989400000000 ] - [ -0.0008841900000000, 0.0000000000000000, -0.0025312500000000 ] - [ -0.0008686300000000, -0.0007982300000000, -0.0024846300000000 ] - [ -0.0008686300000000, 0.0007982300000000, -0.0024846300000000 ] - [ 0.0016931700000000, 0.0001510300000000, -0.0015417900000000 ] - [ 0.0016931700000000, -0.0001510300000000, -0.0015417900000000 ] - [ 0.0012360800000000, 0.0000000000000000, -0.0004392400000000 ] - [ 0.0002242400000000, 0.0000000000000000, -0.0013443300000000 ] - [ 0.0001084000000000, 0.0001296300000000, -0.0011913900000000 ] - [ 0.0001084000000000, -0.0001296300000000, -0.0011913900000000 ] - [ -0.0033997100000000, 0.0055277200000000, -0.0026307500000000 ] - [ -0.0033997100000000, -0.0055277200000000, -0.0026307500000000 ] - [ -0.0015598300000000, 0.0000000000000000, 0.0011364700000000 ] - [ -0.0268504700000000, 0.0000000000000000, 0.0507252600000000 ] - [ -0.0055429000000000, 0.0032883300000000, 0.0046655300000000 ] - [ -0.0055429000000000, -0.0032883300000000, 0.0046655300000000 ] - [ -0.0017646100000000, -0.0023501200000000, -0.0018956300000000 ] - [ -0.0017646100000000, 0.0023501200000000, -0.0018956300000000 ] - [ -0.0005653400000000, 0.0000000000000000, 0.0000919900000000 ] - [ -0.0012683200000000, 0.0001031800000000, -0.0034899400000000 ] - [ -0.0012683200000000, -0.0001031800000000, -0.0034899400000000 ] - [ -0.0008612600000000, 0.0000000000000000, -0.0022201100000000 ] - [ -0.0054602900000000, 0.0000000000000000, -0.0138600200000000 ] - [ -0.0010552000000000, -0.0011274800000000, 0.0011479900000000 ] - [ -0.0010552000000000, 0.0011274800000000, 0.0011479900000000 ] - [ -0.0001131000000000, 0.0000000000000000, -0.0021173500000000 ] - [ 0.0000217400000000, -0.0000465400000000, -0.0015854400000000 ] - [ 0.0000217400000000, 0.0000465400000000, -0.0015854400000000 ] - [ -0.0013233800000000, 0.0000000000000000, -0.0007512300000000 ] - [ -0.0005220400000000, -0.0001482700000000, -0.0001459600000000 ] - [ -0.0005220400000000, 0.0001482700000000, -0.0001459600000000 ] - [ 0.0051688600000000, 0.0072465300000000, -0.0026709000000000 ] - [ 0.0051688600000000, -0.0072465300000000, -0.0026709000000000 ] - [ 0.0010783700000000, 0.0000000000000000, 0.0000662500000000 ] - [ 0.0057504600000000, 0.0000000000000000, 0.0057399300000000 ] - [ 0.0005242700000000, -0.0006712700000000, 0.0021679100000000 ] - [ 0.0005242700000000, 0.0006712700000000, 0.0021679100000000 ] - [ 0.0000731400000000, 0.0000000000000000, -0.0014895400000000 ] - [ -0.0003352000000000, 0.0001218500000000, -0.0006353400000000 ] - [ -0.0003352000000000, -0.0001218500000000, -0.0006353400000000 ] - [ -0.0012307800000000, -0.0025085900000000, 0.0011543600000000 ] - [ -0.0012307800000000, 0.0025085900000000, 0.0011543600000000 ] - [ -0.0002794500000000, 0.0000000000000000, 0.0005797500000000 ] - [ -0.0007781100000000, -0.0001311800000000, -0.0012215700000000 ] - [ -0.0007781100000000, 0.0001311800000000, -0.0012215700000000 ] - [ -0.0006926500000000, 0.0000000000000000, -0.0010898800000000 ] - [ -0.0004912400000000, 0.0000000000000000, -0.0013041600000000 ] - [ -0.0006453500000000, -0.0001288100000000, -0.0008116600000000 ] - [ -0.0006453500000000, 0.0001288100000000, -0.0008116600000000 ] - [ 0.0013150200000000, -0.0003077100000000, -0.0015878600000000 ] - [ 0.0013150200000000, 0.0003077100000000, -0.0015878600000000 ] - [ 0.0005769600000000, 0.0000000000000000, -0.0004063700000000 ] - [ 0.0014061800000000, -0.0000521400000000, 0.0021775600000000 ] - [ 0.0014061800000000, 0.0000521400000000, 0.0021775600000000 ] - [ 0.0001807600000000, 0.0000000000000000, 0.0014870600000000 ] - [ -0.0001555100000000, 0.0008706100000000, -0.0019877100000000 ] - [ -0.0001555100000000, -0.0008706100000000, -0.0019877100000000 ] - [ 0.0006604500000000, 0.0000000000000000, -0.0016287000000000 ] - [ 0.0021514300000000, 0.0000000000000000, 0.0034688100000000 ] - [ 0.0024805300000000, -0.0007322000000000, 0.0038668400000000 ] - [ 0.0024805300000000, 0.0007322000000000, 0.0038668400000000 ] - [ 0.0014105800000000, 0.0000000000000000, -0.0010431700000000 ] - [ 0.0017221800000000, -0.0003361200000000, -0.0014680900000000 ] - [ 0.0017221800000000, 0.0003361200000000, -0.0014680900000000 ] - [ 0.0002540300000000, -0.0000304000000000, -0.0009596800000000 ] - [ 0.0002540300000000, 0.0000304000000000, -0.0009596800000000 ] - [ 0.0002144300000000, 0.0000000000000000, -0.0008859600000000 ] - [ -0.0000081000000000, 0.0000000000000000, -0.0010019000000000 ] - [ 0.0000932100000000, -0.0001134500000000, -0.0008094800000000 ] - [ 0.0000932100000000, 0.0001134500000000, -0.0008094800000000 ] - [ -0.0014007400000000, 0.0024396200000000, 0.0051832900000000 ] - [ -0.0014007400000000, -0.0024396200000000, 0.0051832900000000 ] - [ -0.0003641800000000, 0.0000000000000000, 0.0013610800000000 ] - [ 0.0029096300000000, 0.0000000000000000, 0.0003521200000000 ] - [ 0.0058173300000000, 0.0045021200000000, -0.0004561600000000 ] - [ 0.0058173300000000, -0.0045021200000000, -0.0004561600000000 ] - [ -0.0008672400000000, -0.0000656400000000, 0.0008844100000000 ] - [ -0.0008672400000000, 0.0000656400000000, 0.0008844100000000 ] - [ 0.0006871500000000, 0.0000000000000000, 0.0015176500000000 ]- atom: 76 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0007210200000000, 0.0000000000000000, 0.0030481200000000 ] - [ 0.0000701400000000, -0.0003559200000000, 0.0001202600000000 ] - [ 0.0000701400000000, 0.0003559200000000, 0.0001202600000000 ] - [ -0.0000388500000000, -0.0000088100000000, 0.0004095700000000 ] - [ -0.0000583000000000, 0.0000000000000000, 0.0003255800000000 ] - [ -0.0000388500000000, 0.0000088100000000, 0.0004095700000000 ] - [ -0.0004833600000000, 0.0000000000000000, -0.0002473100000000 ] - [ -0.0001174900000000, -0.0000551200000000, -0.0000824200000000 ] - [ -0.0001174900000000, 0.0000551200000000, -0.0000824200000000 ] - [ -0.0005510200000000, -0.0012651700000000, -0.0002136300000000 ] - [ -0.0001117500000000, 0.0000000000000000, -0.0000496300000000 ] - [ -0.0005510200000000, 0.0012651700000000, -0.0002136300000000 ] - [ 0.0006164000000000, 0.0000000000000000, 0.0011627200000000 ] - [ 0.0005354200000000, -0.0002392800000000, 0.0010583400000000 ] - [ 0.0005354200000000, 0.0002392800000000, 0.0010583400000000 ] - [ 0.0133894500000000, 0.0000000000000000, -0.0075740700000000 ] - [ 0.0018835200000000, -0.0017998400000000, -0.0002133400000000 ] - [ 0.0018835200000000, 0.0017998400000000, -0.0002133400000000 ] - [ 0.0025969400000000, -0.0004156900000000, 0.0018139200000000 ] - [ 0.0009779500000000, 0.0000000000000000, 0.0017401200000000 ] - [ 0.0025969400000000, 0.0004156900000000, 0.0018139200000000 ] - [ 0.0006788400000000, 0.0023454100000000, -0.0000960500000000 ] - [ 0.0041584400000000, 0.0000000000000000, -0.0007020500000000 ] - [ 0.0006788400000000, -0.0023454100000000, -0.0000960500000000 ] - [ 0.0023582500000000, -0.0010526600000000, -0.0018589300000000 ] - [ 0.0007465700000000, 0.0000000000000000, -0.0009614100000000 ] - [ 0.0023582500000000, 0.0010526600000000, -0.0018589300000000 ] - [ -0.0038498800000000, 0.0000000000000000, 0.0023576200000000 ] - [ -0.0021552100000000, 0.0004944700000000, 0.0021527800000000 ] - [ -0.0021552100000000, -0.0004944700000000, 0.0021527800000000 ] - [ -0.0070083100000000, 0.0000000000000000, -0.0032212000000000 ] - [ -0.0036147000000000, 0.0004759900000000, -0.0031829200000000 ] - [ -0.0036147000000000, -0.0004759900000000, -0.0031829200000000 ] - [ -0.0010170500000000, 0.0000000000000000, -0.0003859500000000 ] - [ -0.0008242500000000, -0.0000679000000000, -0.0005231600000000 ] - [ -0.0008242500000000, 0.0000679000000000, -0.0005231600000000 ] - [ -0.0078083500000000, -0.0079750900000000, 0.0014952900000000 ] - [ -0.0003094500000000, 0.0000000000000000, -0.0012391900000000 ] - [ -0.0078083500000000, 0.0079750900000000, 0.0014952900000000 ] - [ 0.0001421600000000, -0.0008605900000000, -0.0008377300000000 ] - [ -0.0002519700000000, 0.0000000000000000, -0.0001519000000000 ] - [ 0.0001421600000000, 0.0008605900000000, -0.0008377300000000 ] - [ -0.0006345100000000, 0.0001423700000000, 0.0015757300000000 ] - [ 0.0002713600000000, 0.0000000000000000, 0.0000721300000000 ] - [ -0.0006345100000000, -0.0001423700000000, 0.0015757300000000 ] - [ 0.0897175400000000, 0.0000000000000000, -0.0794605000000000 ] - [ 0.0015309700000000, -0.0003921000000000, -0.0012596700000000 ] - [ 0.0015309700000000, 0.0003921000000000, -0.0012596700000000 ] - [ -0.0003235700000000, 0.0000055100000000, 0.0002968500000000 ] - [ -0.0003683400000000, 0.0000000000000000, 0.0003129100000000 ] - [ -0.0003235700000000, -0.0000055100000000, 0.0002968500000000 ] - [ 0.0010052700000000, 0.0000000000000000, 0.0006058000000000 ] - [ 0.0005827300000000, 0.0000821100000000, 0.0003766000000000 ] - [ 0.0005827300000000, -0.0000821100000000, 0.0003766000000000 ] - [ -0.0030906200000000, 0.0003222100000000, -0.0013494400000000 ] - [ -0.0011225200000000, 0.0000000000000000, -0.0004527700000000 ] - [ -0.0030906200000000, -0.0003222100000000, -0.0013494400000000 ] - [ 0.0052873000000000, 0.0000000000000000, -0.0051940300000000 ] - [ 0.0004365300000000, -0.0001240100000000, 0.0002013700000000 ] - [ 0.0004365300000000, 0.0001240100000000, 0.0002013700000000 ] - [ -0.0009077300000000, -0.0000177200000000, -0.0016993100000000 ] - [ -0.0009150200000000, 0.0000000000000000, -0.0008960400000000 ] - [ -0.0009077300000000, 0.0000177200000000, -0.0016993100000000 ] - [ 0.0575185300000000, 0.0000000000000000, -0.0364738600000000 ] - [ -0.0005154500000000, 0.0007856100000000, 0.0004583600000000 ] - [ -0.0005154500000000, -0.0007856100000000, 0.0004583600000000 ] - [ 0.0006319400000000, 0.0012407400000000, -0.0013281100000000 ] - [ 0.0000781000000000, 0.0000000000000000, 0.0006015900000000 ] - [ 0.0006319400000000, -0.0012407400000000, -0.0013281100000000 ] - [ -0.0031799700000000, 0.0000000000000000, 0.0009388800000000 ] - [ -0.0006647300000000, 0.0000249400000000, 0.0001752900000000 ] - [ -0.0006647300000000, -0.0000249400000000, 0.0001752900000000 ] - [ -0.0050152300000000, 0.0026873900000000, -0.0000058400000000 ] - [ -0.0009875600000000, 0.0000000000000000, -0.0002594900000000 ] - [ -0.0050152300000000, -0.0026873900000000, -0.0000058400000000 ] - [ -0.1600724300000000, 0.0000000000000000, 0.1179994400000000 ] - [ -0.0032653600000000, -0.0005819000000000, 0.0028507900000000 ] - [ -0.0032653600000000, 0.0005819000000000, 0.0028507900000000 ] - [ -0.0140065900000000, 0.0000000000000000, -0.0016645800000000 ] - [ -0.0010521400000000, 0.0001982100000000, -0.0011132100000000 ] - [ -0.0010521400000000, -0.0001982100000000, -0.0011132100000000 ] - [ -0.0009809200000000, 0.0001440600000000, 0.0001800900000000 ] - [ -0.0008860100000000, 0.0000000000000000, 0.0000731300000000 ] - [ -0.0009809200000000, -0.0001440600000000, 0.0001800900000000 ] - [ 0.0004302000000000, -0.0000299800000000, -0.0002004900000000 ] - [ 0.0003523300000000, 0.0000000000000000, -0.0001586400000000 ] - [ 0.0004302000000000, 0.0000299800000000, -0.0002004900000000 ] - [ -0.0000265600000000, 0.0000711900000000, 0.0005111800000000 ] - [ -0.0000725300000000, 0.0000000000000000, 0.0004307000000000 ] - [ -0.0000265600000000, -0.0000711900000000, 0.0005111800000000 ] - [ -0.0003433100000000, 0.0000000000000000, -0.0003292800000000 ] - [ -0.0000447200000000, 0.0000855400000000, -0.0002229300000000 ] - [ -0.0000447200000000, -0.0000855400000000, -0.0002229300000000 ] - [ 0.0025052300000000, 0.0011546200000000, -0.0046812600000000 ] - [ -0.0001324000000000, 0.0000000000000000, -0.0004828500000000 ] - [ 0.0025052300000000, -0.0011546200000000, -0.0046812600000000 ] - [ 0.0026472900000000, -0.0021009200000000, 0.0024297700000000 ] - [ -0.0007679900000000, 0.0000000000000000, 0.0013876900000000 ] - [ 0.0026472900000000, 0.0021009200000000, 0.0024297700000000 ] - [ 0.0060616200000000, 0.0000000000000000, -0.0028463700000000 ] - [ 0.0066784300000000, -0.0070695600000000, 0.0018608300000000 ] - [ 0.0066784300000000, 0.0070695600000000, 0.0018608300000000 ] - [ -0.0005572600000000, 0.0000000000000000, 0.0006520200000000 ] - [ -0.0007718200000000, 0.0004888400000000, 0.0006677100000000 ] - [ -0.0007718200000000, -0.0004888400000000, 0.0006677100000000 ] - [ -0.0000886500000000, 0.0000247800000000, -0.0001937300000000 ] - [ -0.0000870800000000, 0.0000000000000000, -0.0002820200000000 ] - [ -0.0000886500000000, -0.0000247800000000, -0.0001937300000000 ] - [ -0.0001477400000000, 0.0000000000000000, -0.0012302000000000 ] - [ -0.0000183200000000, 0.0000124400000000, -0.0010194600000000 ] - [ -0.0000183200000000, -0.0000124400000000, -0.0010194600000000 ] - [ -0.0004398900000000, 0.0000000000000000, -0.0012250400000000 ] - [ -0.0004777800000000, -0.0000756400000000, -0.0005805400000000 ] - [ -0.0004777800000000, 0.0000756400000000, -0.0005805400000000 ] - [ 0.0005255400000000, 0.0000000000000000, -0.0007765500000000 ] - [ 0.0004959300000000, 0.0003886100000000, -0.0006881600000000 ] - [ 0.0004959300000000, -0.0003886100000000, -0.0006881600000000 ] - [ 0.0026546300000000, -0.0001469800000000, 0.0029972500000000 ] - [ 0.0016025600000000, 0.0000000000000000, 0.0019837100000000 ] - [ 0.0026546300000000, 0.0001469800000000, 0.0029972500000000 ] - [ 0.0032339600000000, -0.0004351800000000, -0.0003307800000000 ] - [ 0.0022040400000000, 0.0000000000000000, -0.0003217400000000 ] - [ 0.0032339600000000, 0.0004351800000000, -0.0003307800000000 ] - [ 0.0030671900000000, 0.0000000000000000, -0.0001004500000000 ] - [ 0.0022552300000000, 0.0031199600000000, -0.0006139200000000 ] - [ 0.0022552300000000, -0.0031199600000000, -0.0006139200000000 ] - [ 0.0008003600000000, 0.0000491000000000, -0.0005516100000000 ] - [ 0.0001038300000000, 0.0000000000000000, -0.0004206200000000 ] - [ 0.0008003600000000, -0.0000491000000000, -0.0005516100000000 ] - [ 0.0027931100000000, 0.0000000000000000, 0.0116913100000000 ] - [ -0.0001818200000000, 0.0004004800000000, -0.0005516200000000 ] - [ -0.0001818200000000, -0.0004004800000000, -0.0005516200000000 ] - [ 0.0021346700000000, 0.0035531100000000, -0.0002027500000000 ] - [ -0.0002372000000000, 0.0000000000000000, 0.0003001100000000 ] - [ 0.0021346700000000, -0.0035531100000000, -0.0002027500000000 ] - [ 0.0005090600000000, 0.0000000000000000, 0.0044348900000000 ] - [ 0.0007398000000000, 0.0001357600000000, 0.0004636600000000 ] - [ 0.0007398000000000, -0.0001357600000000, 0.0004636600000000 ]- atom: 76 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0010859200000000, 0.0000000000000000, -0.0028073500000000 ] - [ -0.0004738700000000, 0.0003586200000000, 0.0001244100000000 ] - [ -0.0004738700000000, -0.0003586200000000, 0.0001244100000000 ] - [ -0.0001854600000000, 0.0000103100000000, 0.0000523900000000 ] - [ -0.0001672800000000, 0.0000000000000000, 0.0001360500000000 ] - [ -0.0001854600000000, -0.0000103100000000, 0.0000523900000000 ] - [ 0.0007130400000000, 0.0000000000000000, -0.0002231000000000 ] - [ 0.0003468200000000, 0.0000552700000000, -0.0003890500000000 ] - [ 0.0003468200000000, -0.0000552700000000, -0.0003890500000000 ] - [ 0.0009590200000000, 0.0012589900000000, -0.0000287300000000 ] - [ 0.0005210400000000, 0.0000000000000000, -0.0001951200000000 ] - [ 0.0009590200000000, -0.0012589900000000, -0.0000287300000000 ] - [ -0.0004273300000000, 0.0000000000000000, -0.0002954900000000 ] - [ -0.0003469000000000, 0.0002405300000000, -0.0001892900000000 ] - [ -0.0003469000000000, -0.0002405300000000, -0.0001892900000000 ] - [ -0.0117394300000000, 0.0000000000000000, 0.0079162200000000 ] - [ -0.0008606100000000, 0.0018204800000000, -0.0000201900000000 ] - [ -0.0008606100000000, -0.0018204800000000, -0.0000201900000000 ] - [ -0.0024964800000000, 0.0004114400000000, 0.0000339900000000 ] - [ -0.0008722400000000, 0.0000000000000000, 0.0001008400000000 ] - [ -0.0024964800000000, -0.0004114400000000, 0.0000339900000000 ] - [ 0.0002583600000000, -0.0022333800000000, -0.0006262900000000 ] - [ -0.0031584100000000, 0.0000000000000000, -0.0001639800000000 ] - [ 0.0002583600000000, 0.0022333800000000, -0.0006262900000000 ] - [ -0.0014223500000000, 0.0011284100000000, 0.0019528400000000 ] - [ 0.0002706700000000, 0.0000000000000000, 0.0010746600000000 ] - [ -0.0014223500000000, -0.0011284100000000, 0.0019528400000000 ] - [ 0.0028390900000000, 0.0000000000000000, -0.0025023700000000 ] - [ 0.0011456900000000, -0.0004973600000000, -0.0022769300000000 ] - [ 0.0011456900000000, 0.0004973600000000, -0.0022769300000000 ] - [ 0.0060077000000000, 0.0000000000000000, 0.0041423900000000 ] - [ 0.0025934900000000, -0.0004841300000000, 0.0040844300000000 ] - [ 0.0025934900000000, 0.0004841300000000, 0.0040844300000000 ] - [ 0.0008988900000000, 0.0000000000000000, -0.0014609200000000 ] - [ 0.0007067000000000, 0.0000685900000000, -0.0013250300000000 ] - [ 0.0007067000000000, -0.0000685900000000, -0.0013250300000000 ] - [ 0.0067901300000000, 0.0079509200000000, -0.0012628900000000 ] - [ -0.0006995400000000, 0.0000000000000000, 0.0014776100000000 ] - [ 0.0067901300000000, -0.0079509200000000, -0.0012628900000000 ] - [ -0.0003321000000000, 0.0008568500000000, -0.0000410600000000 ] - [ 0.0000626100000000, 0.0000000000000000, -0.0007234900000000 ] - [ -0.0003321000000000, -0.0008568500000000, -0.0000410600000000 ] - [ 0.0005084100000000, -0.0001415200000000, -0.0018724600000000 ] - [ -0.0003984900000000, 0.0000000000000000, -0.0003644100000000 ] - [ 0.0005084100000000, 0.0001415200000000, -0.0018724600000000 ] - [ -0.0898261400000000, 0.0000000000000000, 0.0762741900000000 ] - [ -0.0025119200000000, 0.0004053200000000, 0.0018046600000000 ] - [ -0.0025119200000000, -0.0004053200000000, 0.0018046600000000 ] - [ 0.0005393800000000, -0.0000050000000000, 0.0002941500000000 ] - [ 0.0005946200000000, 0.0000000000000000, 0.0002864100000000 ] - [ 0.0005393800000000, 0.0000050000000000, 0.0002941500000000 ] - [ -0.0012453400000000, 0.0000000000000000, -0.0012180300000000 ] - [ -0.0008142700000000, -0.0000822900000000, -0.0009828600000000 ] - [ -0.0008142700000000, 0.0000822900000000, -0.0009828600000000 ] - [ 0.0040974300000000, -0.0003254400000000, 0.0008261300000000 ] - [ 0.0021175800000000, 0.0000000000000000, -0.0000749400000000 ] - [ 0.0040974300000000, 0.0003254400000000, 0.0008261300000000 ] - [ -0.0051414500000000, 0.0000000000000000, 0.0054583500000000 ] - [ -0.0003094500000000, 0.0001236700000000, 0.0000906900000000 ] - [ -0.0003094500000000, -0.0001236700000000, 0.0000906900000000 ] - [ -0.0005956800000000, 0.0000163200000000, 0.0003474300000000 ] - [ -0.0005878200000000, 0.0000000000000000, -0.0004594300000000 ] - [ -0.0005956800000000, -0.0000163200000000, 0.0003474300000000 ] - [ -0.0541426200000000, 0.0000000000000000, 0.0356919400000000 ] - [ 0.0030405200000000, -0.0007907100000000, -0.0004992300000000 ] - [ 0.0030405200000000, 0.0007907100000000, -0.0004992300000000 ] - [ -0.0004444700000000, -0.0012406800000000, 0.0023122800000000 ] - [ 0.0001188000000000, 0.0000000000000000, 0.0003873900000000 ] - [ -0.0004444700000000, 0.0012406800000000, 0.0023122800000000 ] - [ 0.0026796100000000, 0.0000000000000000, -0.0005577300000000 ] - [ 0.0001757000000000, -0.0000254400000000, 0.0002026500000000 ] - [ 0.0001757000000000, 0.0000254400000000, 0.0002026500000000 ] - [ 0.0054571900000000, -0.0027229500000000, -0.0000561400000000 ] - [ 0.0014287500000000, 0.0000000000000000, 0.0002387500000000 ] - [ 0.0054571900000000, 0.0027229500000000, -0.0000561400000000 ] - [ 0.1570980300000000, 0.0000000000000000, -0.1136817900000000 ] - [ 0.0022299100000000, 0.0005837900000000, -0.0016882800000000 ] - [ 0.0022299100000000, -0.0005837900000000, -0.0016882800000000 ] - [ 0.0129120800000000, 0.0000000000000000, -0.0008934200000000 ] - [ -0.0000510700000000, -0.0002071300000000, -0.0020107600000000 ] - [ -0.0000510700000000, 0.0002071300000000, -0.0020107600000000 ] - [ -0.0006518500000000, -0.0001434700000000, 0.0010430400000000 ] - [ -0.0007474700000000, 0.0000000000000000, 0.0011509200000000 ] - [ -0.0006518500000000, 0.0001434700000000, 0.0010430400000000 ] - [ -0.0000864200000000, 0.0000309500000000, -0.0007900700000000 ] - [ -0.0000080400000000, 0.0000000000000000, -0.0008479600000000 ] - [ -0.0000864200000000, -0.0000309500000000, -0.0007900700000000 ] - [ -0.0005654700000000, -0.0000693200000000, 0.0004924200000000 ] - [ -0.0005224300000000, 0.0000000000000000, 0.0005645000000000 ] - [ -0.0005654700000000, 0.0000693200000000, 0.0004924200000000 ] - [ 0.0014144400000000, 0.0000000000000000, 0.0005997800000000 ] - [ 0.0011111300000000, -0.0000856600000000, 0.0004945800000000 ] - [ 0.0011111300000000, 0.0000856600000000, 0.0004945800000000 ] - [ -0.0018216500000000, -0.0011633600000000, 0.0054624100000000 ] - [ 0.0008209300000000, 0.0000000000000000, 0.0012510400000000 ] - [ -0.0018216500000000, 0.0011633600000000, 0.0054624100000000 ] - [ -0.0035825800000000, 0.0021421200000000, -0.0024598000000000 ] - [ -0.0001319800000000, 0.0000000000000000, -0.0013804900000000 ] - [ -0.0035825800000000, -0.0021421200000000, -0.0024598000000000 ] - [ -0.0052997700000000, 0.0000000000000000, 0.0029112200000000 ] - [ -0.0058322300000000, 0.0071328900000000, -0.0018937200000000 ] - [ -0.0058322300000000, -0.0071328900000000, -0.0018937200000000 ] - [ -0.0001003500000000, 0.0000000000000000, -0.0014269400000000 ] - [ 0.0001157800000000, -0.0005138200000000, -0.0014479100000000 ] - [ 0.0001157800000000, 0.0005138200000000, -0.0014479100000000 ] - [ -0.0009707800000000, -0.0000249400000000, -0.0000716900000000 ] - [ -0.0009753900000000, 0.0000000000000000, 0.0000163800000000 ] - [ -0.0009707800000000, 0.0000249400000000, -0.0000716900000000 ] - [ 0.0007457800000000, 0.0000000000000000, 0.0002441900000000 ] - [ 0.0006144700000000, -0.0000118100000000, 0.0000270800000000 ] - [ 0.0006144700000000, 0.0000118100000000, 0.0000270800000000 ] - [ 0.0001038800000000, 0.0000000000000000, 0.0022543100000000 ] - [ 0.0001352000000000, 0.0000761000000000, 0.0015966400000000 ] - [ 0.0001352000000000, -0.0000761000000000, 0.0015966400000000 ] - [ 0.0011091600000000, 0.0000000000000000, -0.0004403500000000 ] - [ 0.0011378800000000, -0.0003873600000000, -0.0005292100000000 ] - [ 0.0011378800000000, 0.0003873600000000, -0.0005292100000000 ] - [ -0.0015649100000000, 0.0001524300000000, 0.0001107300000000 ] - [ -0.0005090800000000, 0.0000000000000000, 0.0011302200000000 ] - [ -0.0015649100000000, -0.0001524300000000, 0.0001107300000000 ] - [ -0.0021798400000000, 0.0004346700000000, -0.0008571700000000 ] - [ -0.0011553500000000, 0.0000000000000000, -0.0008648500000000 ] - [ -0.0021798400000000, -0.0004346700000000, -0.0008571700000000 ] - [ -0.0034896800000000, 0.0000000000000000, 0.0001138100000000 ] - [ -0.0026891200000000, -0.0031133200000000, 0.0006259300000000 ] - [ -0.0026891200000000, 0.0031133200000000, 0.0006259300000000 ] - [ -0.0003095700000000, -0.0000489100000000, 0.0001737400000000 ] - [ 0.0003876700000000, 0.0000000000000000, 0.0000412600000000 ] - [ -0.0003095700000000, 0.0000489100000000, 0.0001737400000000 ] - [ -0.0029462500000000, 0.0000000000000000, -0.0125965200000000 ] - [ -0.0000200300000000, -0.0004005500000000, -0.0004397700000000 ] - [ -0.0000200300000000, 0.0004005500000000, -0.0004397700000000 ] - [ -0.0046847900000000, -0.0035626200000000, 0.0002324500000000 ] - [ -0.0023021100000000, 0.0000000000000000, -0.0002630900000000 ] - [ -0.0046847900000000, 0.0035626200000000, 0.0002324500000000 ] - [ 0.0009912700000000, 0.0000000000000000, -0.0030612100000000 ] - [ 0.0007628000000000, -0.0001354400000000, 0.0008937300000000 ] - [ 0.0007628000000000, 0.0001354400000000, 0.0008937300000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001939800000000, -0.0004212700000000, 0.0001163000000000 ] - [ -0.0003156000000000, 0.0000168200000000, 0.0002922700000000 ] - [ -0.0000917900000000, 0.0000115800000000, -0.0000418600000000 ] - [ -0.0001437200000000, 0.0000622400000000, 0.0002064500000000 ] - [ -0.0001140600000000, -0.0001139700000000, 0.0002236600000000 ] - [ -0.0000850100000000, 0.0000612600000000, 0.0002441300000000 ] - [ 0.0001188300000000, 0.0000772100000000, -0.0002210600000000 ] - [ 0.0002090300000000, -0.0000410100000000, -0.0003242700000000 ] - [ 0.0000241300000000, -0.0000422400000000, -0.0001338600000000 ] - [ 0.0001096600000000, 0.0001270000000000, -0.0000622300000000 ] - [ 0.0002053800000000, -0.0002506500000000, -0.0001212400000000 ] - [ 0.0003019300000000, 0.0001164200000000, -0.0001801100000000 ] - [ 0.0000928400000000, 0.0004783100000000, 0.0004287800000000 ] - [ -0.0000862100000000, -0.0002342700000000, 0.0001346400000000 ] - [ 0.0002708100000000, -0.0002368100000000, 0.0007265700000000 ] - [ 0.0004749900000000, 0.0086801400000000, -0.0000751400000000 ] - [ -0.0014771800000000, -0.0023808200000000, -0.0005677100000000 ] - [ 0.0024650000000000, -0.0023784700000000, 0.0003257200000000 ] - [ -0.0010739700000000, 0.0005705400000000, -0.0018149400000000 ] - [ 0.0000528400000000, -0.0010203100000000, 0.0009154500000000 ] - [ 0.0011675900000000, 0.0005675900000000, 0.0036314800000000 ] - [ 0.0057779800000000, 0.0060102100000000, -0.0004977600000000 ] - [ 0.0005088000000000, -0.0076612200000000, -0.0004380200000000 ] - [ -0.0049884100000000, 0.0056646700000000, -0.0001714000000000 ] - [ 0.0003223900000000, 0.0005779300000000, 0.0024919300000000 ] - [ 0.0005127900000000, -0.0009770600000000, 0.0000603000000000 ] - [ 0.0006498700000000, 0.0005150200000000, -0.0023821700000000 ] - [ -0.0004923700000000, 0.0053007600000000, -0.0000478600000000 ] - [ 0.0011571200000000, -0.0022731500000000, -0.0020361100000000 ] - [ -0.0021556400000000, -0.0022645900000000, 0.0019174200000000 ] - [ -0.0005095900000000, 0.0026687700000000, 0.0004507900000000 ] - [ 0.0014762500000000, -0.0013836700000000, 0.0035830300000000 ] - [ -0.0024822500000000, -0.0013870800000000, -0.0026696200000000 ] - [ -0.0000547200000000, 0.0000389600000000, -0.0009296200000000 ] - [ 0.0000681100000000, -0.0000454400000000, -0.0009838000000000 ] - [ -0.0001776900000000, -0.0000471900000000, -0.0008706900000000 ] - [ -0.0001061700000000, 0.0011878800000000, 0.0001849300000000 ] - [ -0.0005168100000000, -0.0005201500000000, 0.0001260300000000 ] - [ -0.0008624900000000, 0.0011136100000000, 0.0000507000000000 ] - [ -0.0001456400000000, 0.0001841400000000, -0.0005743100000000 ] - [ -0.0000942700000000, -0.0003420000000000, -0.0004411200000000 ] - [ -0.0000496900000000, 0.0001762800000000, -0.0003029400000000 ] - [ -0.0000168100000000, -0.0000779200000000, -0.0003584100000000 ] - [ -0.0000665700000000, 0.0000423200000000, -0.0001472000000000 ] - [ -0.0001060800000000, -0.0000767600000000, 0.0000441900000000 ] - [ -0.0008549800000000, 0.0500996900000000, 0.0007925900000000 ] - [ -0.0015026300000000, -0.0007044900000000, 0.0022638800000000 ] - [ 0.0004978600000000, -0.0006908300000000, -0.0016920400000000 ] - [ 0.0002972300000000, 0.0000153300000000, 0.0002528400000000 ] - [ 0.0001160900000000, -0.0000204900000000, 0.0003000700000000 ] - [ -0.0000731500000000, 0.0000149600000000, 0.0003404300000000 ] - [ -0.0001137400000000, 0.0000769900000000, -0.0003080600000000 ] - [ -0.0004443300000000, -0.0000483400000000, -0.0007692600000000 ] - [ 0.0002133100000000, -0.0000477700000000, 0.0001566300000000 ] - [ 0.0010108000000000, -0.0004036800000000, 0.0000440600000000 ] - [ 0.0004940700000000, 0.0004173700000000, -0.0002593300000000 ] - [ -0.0000066600000000, -0.0004009400000000, -0.0005570000000000 ] - [ 0.0000392300000000, 0.0001223200000000, 0.0001647200000000 ] - [ -0.0000749800000000, 0.0000086100000000, -0.0002376000000000 ] - [ 0.0001957700000000, 0.0000075300000000, 0.0005228100000000 ] - [ -0.0007189600000000, -0.0000694200000000, -0.0005886200000000 ] - [ -0.0007492500000000, 0.0001529800000000, -0.0006759500000000 ] - [ -0.0007821700000000, -0.0000687300000000, -0.0007532900000000 ] - [ 0.0010639800000000, -0.0180001300000000, 0.0000930200000000 ] - [ 0.0022359800000000, 0.0001433400000000, -0.0004810500000000 ] - [ 0.0003140000000000, 0.0001457700000000, 0.0004333100000000 ] - [ -0.0000519800000000, -0.0002754000000000, 0.0007972300000000 ] - [ 0.0001002700000000, 0.0001479200000000, 0.0004938300000000 ] - [ 0.0002398200000000, -0.0002570900000000, 0.0002088800000000 ] - [ -0.0002323400000000, -0.0009938800000000, 0.0001879100000000 ] - [ -0.0002227100000000, 0.0005563500000000, 0.0004311400000000 ] - [ -0.0002640900000000, 0.0005536400000000, -0.0000478900000000 ] - [ 0.0032533300000000, 0.0004282100000000, 0.0031426600000000 ] - [ 0.0002206700000000, 0.0009379600000000, -0.0000073000000000 ] - [ -0.0027915100000000, 0.0004165700000000, -0.0031027100000000 ] - [ 0.0004381900000000, -0.0479772600000000, -0.0005046600000000 ] - [ 0.0000635500000000, 0.0023694700000000, 0.0000575300000000 ] - [ -0.0011155800000000, 0.0023370400000000, 0.0011232300000000 ] - [ -0.0005454800000000, -0.0145771500000000, -0.0013853400000000 ] - [ -0.0008264400000000, 0.0002632200000000, -0.0024937900000000 ] - [ -0.0002802300000000, 0.0002671200000000, -0.0006411900000000 ] - [ -0.0007446600000000, -0.0001562000000000, 0.0014108500000000 ] - [ -0.0008161000000000, 0.0002831900000000, 0.0006154300000000 ] - [ -0.0008835000000000, -0.0001543800000000, -0.0001758700000000 ] - [ 0.0000264900000000, 0.0000059700000000, -0.0007412500000000 ] - [ 0.0001694000000000, 0.0000593500000000, -0.0005055000000000 ] - [ 0.0003144100000000, 0.0000055900000000, -0.0002578200000000 ] - [ -0.0003455600000000, -0.0000519200000000, 0.0005049400000000 ] - [ -0.0002982900000000, 0.0000902400000000, 0.0004983400000000 ] - [ -0.0002482200000000, -0.0000522200000000, 0.0004986300000000 ] - [ 0.0005325600000000, -0.0010037000000000, 0.0001402400000000 ] - [ 0.0007569800000000, 0.0004973400000000, 0.0004264500000000 ] - [ 0.0003087200000000, 0.0004952300000000, -0.0001496600000000 ] - [ -0.0037495800000000, -0.0018183300000000, 0.0080075000000000 ] - [ 0.0003428600000000, 0.0014882000000000, 0.0003874700000000 ] - [ 0.0043995400000000, -0.0018062200000000, -0.0071589400000000 ] - [ -0.0034153300000000, 0.0005966100000000, -0.0023272700000000 ] - [ -0.0004555600000000, 0.0013457900000000, -0.0000001900000000 ] - [ 0.0024864700000000, 0.0005985300000000, 0.0023135900000000 ] - [ 0.0004435900000000, -0.0057355700000000, -0.0000367600000000 ] - [ -0.0059187900000000, 0.0109475900000000, -0.0018226300000000 ] - [ 0.0067646800000000, 0.0108655300000000, 0.0017723400000000 ] - [ -0.0003348100000000, -0.0004665600000000, -0.0003855600000000 ] - [ 0.0002958300000000, -0.0000378400000000, -0.0010035200000000 ] - [ -0.0009642400000000, -0.0000167600000000, 0.0002250700000000 ] - [ -0.0006406200000000, -0.0000023000000000, -0.0000631900000000 ] - [ -0.0005337800000000, 0.0000185400000000, -0.0001318600000000 ] - [ -0.0004249500000000, -0.0000013000000000, -0.0002015500000000 ] - [ 0.0002973500000000, 0.0000119700000000, -0.0004928000000000 ] - [ 0.0004364500000000, -0.0000050500000000, -0.0001328200000000 ] - [ 0.0001601200000000, -0.0000031500000000, -0.0008569300000000 ] - [ -0.0001701200000000, -0.0004134100000000, 0.0005081700000000 ] - [ 0.0000100300000000, 0.0001614600000000, 0.0013337300000000 ] - [ -0.0003503000000000, 0.0001606100000000, -0.0003134100000000 ] - [ 0.0008184000000000, -0.0001820400000000, -0.0006068700000000 ] - [ 0.0009390800000000, 0.0000853000000000, -0.0005623200000000 ] - [ 0.0006979300000000, 0.0000891000000000, -0.0006539800000000 ] - [ 0.0003857000000000, -0.0005608800000000, 0.0015130200000000 ] - [ 0.0005453100000000, 0.0012078000000000, 0.0015537400000000 ] - [ 0.0006983800000000, -0.0005617600000000, 0.0015855500000000 ] - [ 0.0000891900000000, -0.0002387200000000, -0.0008777000000000 ] - [ 0.0005271500000000, 0.0012289400000000, -0.0005999700000000 ] - [ 0.0009518100000000, -0.0002412000000000, -0.0003198900000000 ] - [ -0.0002288700000000, 0.0002298700000000, 0.0000108000000000 ] - [ -0.0011403500000000, -0.0007297400000000, 0.0001359400000000 ] - [ 0.0006899700000000, -0.0007013300000000, -0.0001112400000000 ] - [ 0.0001890000000000, -0.0000023700000000, -0.0001515900000000 ] - [ 0.0002480900000000, 0.0000266900000000, -0.0001884900000000 ] - [ 0.0002989900000000, -0.0000013000000000, -0.0002232800000000 ] - [ -0.0001092600000000, 0.0002157900000000, -0.0005424000000000 ] - [ 0.0001433100000000, 0.0001957700000000, -0.0001260900000000 ] - [ -0.0003399400000000, 0.0001972800000000, -0.0008589200000000 ] - [ -0.0022237600000000, -0.0008519800000000, -0.0000276100000000 ] - [ -0.0012637900000000, 0.0005552100000000, 0.0000154600000000 ] - [ -0.0003249200000000, -0.0008194000000000, 0.0000607300000000 ] - [ 0.0007522500000000, -0.0000962700000000, 0.0006642200000000 ] - [ 0.0008103600000000, 0.0000131800000000, 0.0009965400000000 ] - [ 0.0006923700000000, 0.0000148700000000, 0.0003661600000000 ]- atom: 76 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0031659000000000, 0.0000000000000000, -0.0031416800000000 ] - [ -0.0001501600000000, 0.0007104400000000, 0.0001917400000000 ] - [ -0.0001501600000000, -0.0007104400000000, 0.0001917400000000 ] - [ 0.0001086200000000, 0.0001621500000000, -0.0005755000000000 ] - [ 0.0000018600000000, 0.0000000000000000, -0.0001456200000000 ] - [ 0.0001086200000000, -0.0001621500000000, -0.0005755000000000 ] - [ 0.0002506400000000, 0.0000000000000000, -0.0008738000000000 ] - [ 0.0003081900000000, 0.0000354000000000, -0.0007255900000000 ] - [ 0.0003081900000000, -0.0000354000000000, -0.0007255900000000 ] - [ 0.0000306700000000, -0.0003912800000000, -0.0001728200000000 ] - [ 0.0003350100000000, 0.0000000000000000, -0.0001961200000000 ] - [ 0.0000306700000000, 0.0003912800000000, -0.0001728200000000 ] - [ 0.0000455500000000, 0.0000000000000000, -0.0018727900000000 ] - [ -0.0001638100000000, 0.0002851200000000, -0.0013093200000000 ] - [ -0.0001638100000000, -0.0002851200000000, -0.0013093200000000 ] - [ -0.0023499800000000, 0.0000000000000000, 0.0078196200000000 ] - [ -0.0009904400000000, -0.0017616900000000, 0.0019276600000000 ] - [ -0.0009904400000000, 0.0017616900000000, 0.0019276600000000 ] - [ -0.0003246400000000, -0.0002646600000000, -0.0026433600000000 ] - [ -0.0003256500000000, 0.0000000000000000, -0.0008343500000000 ] - [ -0.0003246400000000, 0.0002646600000000, -0.0026433600000000 ] - [ 0.0029333300000000, 0.0001270400000000, 0.0091451600000000 ] - [ -0.0033384100000000, 0.0000000000000000, 0.0017274600000000 ] - [ 0.0029333300000000, -0.0001270400000000, 0.0091451600000000 ] - [ -0.0082949400000000, 0.0100503100000000, -0.0027601600000000 ] - [ 0.0012562200000000, 0.0000000000000000, 0.0011847000000000 ] - [ -0.0082949400000000, -0.0100503100000000, -0.0027601600000000 ] - [ 0.0011845800000000, 0.0000000000000000, -0.0015339900000000 ] - [ 0.0007863500000000, -0.0005021800000000, -0.0028395500000000 ] - [ 0.0007863500000000, 0.0005021800000000, -0.0028395500000000 ] - [ -0.0003623400000000, 0.0000000000000000, 0.0061248800000000 ] - [ 0.0009860700000000, 0.0010947000000000, 0.0070500200000000 ] - [ 0.0009860700000000, -0.0010947000000000, 0.0070500200000000 ] - [ -0.0003017800000000, 0.0000000000000000, -0.0031587400000000 ] - [ -0.0003517200000000, 0.0001806200000000, -0.0029091400000000 ] - [ -0.0003517200000000, -0.0001806200000000, -0.0029091400000000 ] - [ 0.0076177500000000, 0.0082027500000000, 0.0013292500000000 ] - [ -0.0012228800000000, 0.0000000000000000, 0.0024401500000000 ] - [ 0.0076177500000000, -0.0082027500000000, 0.0013292500000000 ] - [ -0.0004661500000000, -0.0001978900000000, -0.0023134300000000 ] - [ -0.0003020100000000, 0.0000000000000000, -0.0019022500000000 ] - [ -0.0004661500000000, 0.0001978900000000, -0.0023134300000000 ] - [ 0.0005044000000000, -0.0000936100000000, -0.0030874600000000 ] - [ -0.0007962700000000, 0.0000000000000000, -0.0008398600000000 ] - [ 0.0005044000000000, 0.0000936100000000, -0.0030874600000000 ] - [ -0.0891927300000000, 0.0000000000000000, 0.1840428200000000 ] - [ -0.0016168900000000, 0.0008588500000000, 0.0044450500000000 ] - [ -0.0016168900000000, -0.0008588500000000, 0.0044450500000000 ] - [ -0.0010364400000000, 0.0000220600000000, -0.0015347400000000 ] - [ 0.0003066500000000, 0.0000000000000000, -0.0006121700000000 ] - [ -0.0010364400000000, -0.0000220600000000, -0.0015347400000000 ] - [ -0.0005174700000000, 0.0000000000000000, -0.0020509800000000 ] - [ -0.0004683700000000, -0.0000044100000000, -0.0015965500000000 ] - [ -0.0004683700000000, 0.0000044100000000, -0.0015965500000000 ] - [ -0.0006208900000000, 0.0005299500000000, 0.0022131100000000 ] - [ 0.0007166500000000, 0.0000000000000000, 0.0016021100000000 ] - [ -0.0006208900000000, -0.0005299500000000, 0.0022131100000000 ] - [ 0.0008316000000000, 0.0000000000000000, -0.0025377700000000 ] - [ -0.0006353500000000, -0.0000504100000000, -0.0010199300000000 ] - [ -0.0006353500000000, 0.0000504100000000, -0.0010199300000000 ] - [ -0.0007574900000000, -0.0001221400000000, 0.0013066500000000 ] - [ -0.0005481000000000, 0.0000000000000000, 0.0001281000000000 ] - [ -0.0007574900000000, 0.0001221400000000, 0.0013066500000000 ] - [ -0.0560307700000000, 0.0000000000000000, 0.0172064600000000 ] - [ 0.0026646200000000, -0.0009064500000000, -0.0018545000000000 ] - [ 0.0026646200000000, 0.0009064500000000, -0.0018545000000000 ] - [ -0.0019716200000000, -0.0020322000000000, 0.0023295500000000 ] - [ -0.0000701000000000, 0.0000000000000000, 0.0004314400000000 ] - [ -0.0019716200000000, 0.0020322000000000, 0.0023295500000000 ] - [ -0.0004932500000000, 0.0000000000000000, 0.0010532200000000 ] - [ 0.0001602000000000, 0.0003359700000000, 0.0008218000000000 ] - [ 0.0001602000000000, -0.0003359700000000, 0.0008218000000000 ] - [ 0.0028456700000000, 0.0026160900000000, 0.0028173300000000 ] - [ 0.0005012200000000, 0.0000000000000000, 0.0005532500000000 ] - [ 0.0028456700000000, -0.0026160900000000, 0.0028173300000000 ] - [ 0.1484425100000000, 0.0000000000000000, -0.2924393700000000 ] - [ 0.0023794600000000, 0.0006558100000000, -0.0035468500000000 ] - [ 0.0023794600000000, -0.0006558100000000, -0.0035468500000000 ] - [ 0.0044841300000000, 0.0000000000000000, 0.0683311100000000 ] - [ -0.0010961300000000, -0.0010483600000000, -0.0035595800000000 ] - [ -0.0010961300000000, 0.0010483600000000, -0.0035595800000000 ] - [ -0.0004641600000000, -0.0000865900000000, 0.0023612300000000 ] - [ -0.0006437900000000, 0.0000000000000000, 0.0019537000000000 ] - [ -0.0004641600000000, 0.0000865900000000, 0.0023612300000000 ] - [ 0.0004768400000000, 0.0000726800000000, 0.0016866200000000 ] - [ 0.0001813100000000, 0.0000000000000000, -0.0001636900000000 ] - [ 0.0004768400000000, -0.0000726800000000, 0.0016866200000000 ] - [ 0.0000788800000000, 0.0000010600000000, 0.0018991400000000 ] - [ -0.0003553300000000, 0.0000000000000000, 0.0013086400000000 ] - [ 0.0000788800000000, -0.0000010600000000, 0.0018991400000000 ] - [ 0.0005126900000000, 0.0000000000000000, 0.0015788400000000 ] - [ 0.0005369400000000, 0.0002636900000000, 0.0012196800000000 ] - [ 0.0005369400000000, -0.0002636900000000, 0.0012196800000000 ] - [ -0.0009558900000000, -0.0011514500000000, 0.0043204500000000 ] - [ 0.0010572400000000, 0.0000000000000000, 0.0009742600000000 ] - [ -0.0009558900000000, 0.0011514500000000, 0.0043204500000000 ] - [ 0.0010084900000000, -0.0020619000000000, -0.0050367400000000 ] - [ -0.0009176400000000, 0.0000000000000000, -0.0029259100000000 ] - [ 0.0010084900000000, 0.0020619000000000, -0.0050367400000000 ] - [ -0.0047874900000000, 0.0000000000000000, -0.0009494000000000 ] - [ -0.0077693000000000, 0.0098296300000000, -0.0026866800000000 ] - [ -0.0077693000000000, -0.0098296300000000, -0.0026866800000000 ] - [ 0.0025043400000000, 0.0000000000000000, -0.0012910100000000 ] - [ 0.0028139300000000, -0.0036970600000000, -0.0019561000000000 ] - [ 0.0028139300000000, 0.0036970600000000, -0.0019561000000000 ] - [ -0.0002602600000000, -0.0000918700000000, 0.0008487100000000 ] - [ -0.0007245600000000, 0.0000000000000000, 0.0008606100000000 ] - [ -0.0002602600000000, 0.0000918700000000, 0.0008487100000000 ] - [ 0.0004261400000000, 0.0000000000000000, 0.0010625500000000 ] - [ 0.0004553000000000, -0.0000958200000000, 0.0006684300000000 ] - [ 0.0004553000000000, 0.0000958200000000, 0.0006684300000000 ] - [ 0.0000813300000000, 0.0000000000000000, 0.0022002400000000 ] - [ 0.0001112500000000, 0.0000406000000000, 0.0019247800000000 ] - [ 0.0001112500000000, -0.0000406000000000, 0.0019247800000000 ] - [ 0.0010858600000000, 0.0000000000000000, 0.0009908600000000 ] - [ 0.0010868600000000, 0.0000177500000000, 0.0007834000000000 ] - [ 0.0010868600000000, -0.0000177500000000, 0.0007834000000000 ] - [ -0.0000795700000000, 0.0001608600000000, 0.0003712100000000 ] - [ -0.0003673900000000, 0.0000000000000000, 0.0007397600000000 ] - [ -0.0000795700000000, -0.0001608600000000, 0.0003712100000000 ] - [ 0.0001864700000000, -0.0001695500000000, -0.0036253100000000 ] - [ 0.0004301000000000, 0.0000000000000000, -0.0029340600000000 ] - [ 0.0001864700000000, 0.0001695500000000, -0.0036253100000000 ] - [ -0.0027626400000000, 0.0000000000000000, 0.0000534300000000 ] - [ -0.0024089500000000, -0.0031949400000000, 0.0006423900000000 ] - [ -0.0024089500000000, 0.0031949400000000, 0.0006423900000000 ] - [ -0.0003737600000000, -0.0000688600000000, 0.0005417500000000 ] - [ 0.0007500600000000, 0.0000000000000000, 0.0002880100000000 ] - [ -0.0003737600000000, 0.0000688600000000, 0.0005417500000000 ] - [ -0.0001514400000000, 0.0000000000000000, 0.0044888900000000 ] - [ -0.0001065500000000, 0.0002271300000000, -0.0000272800000000 ] - [ -0.0001065500000000, -0.0002271300000000, -0.0000272800000000 ] - [ 0.0010934100000000, 0.0022541100000000, -0.0022373900000000 ] - [ -0.0005979200000000, 0.0000000000000000, -0.0010875900000000 ] - [ 0.0010934100000000, -0.0022541100000000, -0.0022373900000000 ] - [ 0.0010185900000000, 0.0000000000000000, 0.0031257600000000 ] - [ 0.0009846700000000, -0.0000276700000000, 0.0017830000000000 ] - [ 0.0009846700000000, 0.0000276700000000, 0.0017830000000000 ]- atom: 76 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0035958500000000, 0.0000000000000000, 0.0033987800000000 ] - [ -0.0002578700000000, -0.0007139100000000, 0.0000521600000000 ] - [ -0.0002578700000000, 0.0007139100000000, 0.0000521600000000 ] - [ -0.0003355500000000, -0.0001634700000000, 0.0010501600000000 ] - [ -0.0002277500000000, 0.0000000000000000, 0.0006235800000000 ] - [ -0.0003355500000000, 0.0001634700000000, 0.0010501600000000 ] - [ -0.0000266100000000, 0.0000000000000000, 0.0004070100000000 ] - [ -0.0000836900000000, -0.0000351800000000, 0.0002519900000000 ] - [ -0.0000836900000000, 0.0000351800000000, 0.0002519900000000 ] - [ 0.0003792900000000, 0.0004011200000000, -0.0000720900000000 ] - [ 0.0000722300000000, 0.0000000000000000, -0.0000466600000000 ] - [ 0.0003792900000000, -0.0004011200000000, -0.0000720900000000 ] - [ 0.0001445600000000, 0.0000000000000000, 0.0027616800000000 ] - [ 0.0003550700000000, -0.0002853000000000, 0.0021929200000000 ] - [ 0.0003550700000000, 0.0002853000000000, 0.0021929200000000 ] - [ 0.0035658700000000, 0.0000000000000000, -0.0078727300000000 ] - [ 0.0020129000000000, 0.0017721400000000, -0.0021608300000000 ] - [ 0.0020129000000000, -0.0017721400000000, -0.0021608300000000 ] - [ 0.0004485000000000, 0.0002718400000000, 0.0045081100000000 ] - [ 0.0004412800000000, 0.0000000000000000, 0.0026844600000000 ] - [ 0.0004485000000000, -0.0002718400000000, 0.0045081100000000 ] - [ -0.0021050600000000, 0.0001158500000000, -0.0098471000000000 ] - [ 0.0043606200000000, 0.0000000000000000, -0.0026088400000000 ] - [ -0.0021050600000000, -0.0001158500000000, -0.0098471000000000 ] - [ 0.0093861500000000, -0.0101293100000000, 0.0028536500000000 ] - [ -0.0002503600000000, 0.0000000000000000, -0.0010842000000000 ] - [ 0.0093861500000000, 0.0101293100000000, 0.0028536500000000 ] - [ -0.0022164500000000, 0.0000000000000000, 0.0014210200000000 ] - [ -0.0018094400000000, 0.0005244100000000, 0.0027228700000000 ] - [ -0.0018094400000000, -0.0005244100000000, 0.0027228700000000 ] - [ -0.0006998600000000, 0.0000000000000000, -0.0052795800000000 ] - [ -0.0020214100000000, -0.0010817100000000, -0.0061986000000000 ] - [ -0.0020214100000000, 0.0010817100000000, -0.0061986000000000 ] - [ 0.0001959400000000, 0.0000000000000000, 0.0013269700000000 ] - [ 0.0002457900000000, -0.0001808200000000, 0.0010777100000000 ] - [ 0.0002457900000000, 0.0001808200000000, 0.0010777100000000 ] - [ -0.0086712300000000, -0.0082389900000000, -0.0010988400000000 ] - [ 0.0002072500000000, 0.0000000000000000, -0.0022151400000000 ] - [ -0.0086712300000000, 0.0082389900000000, -0.0010988400000000 ] - [ 0.0002774500000000, 0.0002048100000000, 0.0014572700000000 ] - [ 0.0001147500000000, 0.0000000000000000, 0.0010382500000000 ] - [ 0.0002774500000000, -0.0002048100000000, 0.0014572700000000 ] - [ -0.0006326900000000, 0.0000930100000000, 0.0028070200000000 ] - [ 0.0006749800000000, 0.0000000000000000, 0.0005525800000000 ] - [ -0.0006326900000000, -0.0000930100000000, 0.0028070200000000 ] - [ 0.0975098600000000, 0.0000000000000000, -0.1983480800000000 ] - [ 0.0006413600000000, -0.0008480400000000, -0.0039387800000000 ] - [ 0.0006413600000000, 0.0008480400000000, -0.0039387800000000 ] - [ 0.0012736900000000, -0.0000218600000000, 0.0021529600000000 ] - [ -0.0000799200000000, 0.0000000000000000, 0.0012220500000000 ] - [ 0.0012736900000000, 0.0000218600000000, 0.0021529600000000 ] - [ 0.0002953600000000, 0.0000000000000000, 0.0014627300000000 ] - [ 0.0002418700000000, 0.0000049500000000, 0.0010028700000000 ] - [ 0.0002418700000000, -0.0000049500000000, 0.0010028700000000 ] - [ 0.0016105300000000, -0.0005326000000000, -0.0027585800000000 ] - [ 0.0002614400000000, 0.0000000000000000, -0.0021376900000000 ] - [ 0.0016105300000000, 0.0005326000000000, -0.0027585800000000 ] - [ -0.0007400400000000, 0.0000000000000000, 0.0028779400000000 ] - [ 0.0007644600000000, 0.0000510100000000, 0.0013161700000000 ] - [ 0.0007644600000000, -0.0000510100000000, 0.0013161700000000 ] - [ -0.0007432000000000, 0.0001231400000000, -0.0026722200000000 ] - [ -0.0009565000000000, 0.0000000000000000, -0.0014900600000000 ] - [ -0.0007432000000000, -0.0001231400000000, -0.0026722200000000 ] - [ 0.0591543000000000, 0.0000000000000000, -0.0172590400000000 ] - [ -0.0001405600000000, 0.0009042500000000, 0.0018226900000000 ] - [ -0.0001405600000000, -0.0009042500000000, 0.0018226900000000 ] - [ 0.0021804500000000, 0.0020411200000000, -0.0013437300000000 ] - [ 0.0002690600000000, 0.0000000000000000, 0.0005584300000000 ] - [ 0.0021804500000000, -0.0020411200000000, -0.0013437300000000 ] - [ 0.0000181100000000, 0.0000000000000000, -0.0006817300000000 ] - [ -0.0006537600000000, -0.0003382100000000, -0.0004427500000000 ] - [ -0.0006537600000000, 0.0003382100000000, -0.0004427500000000 ] - [ -0.0023761000000000, -0.0025648600000000, -0.0028189300000000 ] - [ -0.0000675400000000, 0.0000000000000000, -0.0005726300000000 ] - [ -0.0023761000000000, 0.0025648600000000, -0.0028189300000000 ] - [ -0.1591365000000000, 0.0000000000000000, 0.3093389100000000 ] - [ -0.0034295000000000, -0.0006579100000000, 0.0047391000000000 ] - [ -0.0034295000000000, 0.0006579100000000, 0.0047391000000000 ] - [ -0.0057246000000000, 0.0000000000000000, -0.0727421400000000 ] - [ 0.0000005900000000, 0.0010509000000000, 0.0004573100000000 ] - [ 0.0000005900000000, -0.0010509000000000, 0.0004573100000000 ] - [ -0.0011710600000000, 0.0000858900000000, -0.0011522000000000 ] - [ -0.0009922200000000, 0.0000000000000000, -0.0007384900000000 ] - [ -0.0011710600000000, -0.0000858900000000, -0.0011522000000000 ] - [ -0.0001390300000000, -0.0000728000000000, -0.0027116400000000 ] - [ 0.0001613100000000, 0.0000000000000000, -0.0008484400000000 ] - [ -0.0001390300000000, 0.0000728000000000, -0.0027116400000000 ] - [ -0.0006770100000000, -0.0000005900000000, -0.0009151300000000 ] - [ -0.0002398200000000, 0.0000000000000000, -0.0003220500000000 ] - [ -0.0006770100000000, 0.0000005900000000, -0.0009151300000000 ] - [ 0.0005475300000000, 0.0000000000000000, -0.0013202700000000 ] - [ 0.0005251400000000, -0.0002674100000000, -0.0009580300000000 ] - [ 0.0005251400000000, 0.0002674100000000, -0.0009580300000000 ] - [ 0.0016714500000000, 0.0011471100000000, -0.0036110000000000 ] - [ -0.0003787100000000, 0.0000000000000000, -0.0002073700000000 ] - [ 0.0016714500000000, -0.0011471100000000, -0.0036110000000000 ] - [ -0.0018949200000000, 0.0020313100000000, 0.0050804900000000 ] - [ 0.0000106100000000, 0.0000000000000000, 0.0029611900000000 ] - [ -0.0018949200000000, -0.0020313100000000, 0.0050804900000000 ] - [ 0.0056528200000000, 0.0000000000000000, 0.0009211000000000 ] - [ 0.0086487100000000, -0.0098035300000000, 0.0026909300000000 ] - [ 0.0086487100000000, 0.0098035300000000, 0.0026909300000000 ] - [ -0.0032056300000000, 0.0000000000000000, 0.0005327000000000 ] - [ -0.0035238000000000, 0.0037315000000000, 0.0012023600000000 ] - [ -0.0035238000000000, -0.0037315000000000, 0.0012023600000000 ] - [ -0.0008074200000000, 0.0000921700000000, -0.0011250100000000 ] - [ -0.0003380300000000, 0.0000000000000000, -0.0011362300000000 ] - [ -0.0008074200000000, -0.0000921700000000, -0.0011250100000000 ] - [ 0.0001681800000000, 0.0000000000000000, -0.0020687800000000 ] - [ 0.0001397900000000, 0.0000974600000000, -0.0016708800000000 ] - [ 0.0001397900000000, -0.0000974600000000, -0.0016708800000000 ] - [ -0.0004261900000000, 0.0000000000000000, -0.0012034100000000 ] - [ -0.0004559400000000, -0.0000420900000000, -0.0009202600000000 ] - [ -0.0004559400000000, 0.0000420900000000, -0.0009202600000000 ] - [ 0.0005462900000000, 0.0000000000000000, -0.0022230000000000 ] - [ 0.0005457500000000, -0.0000202200000000, -0.0020146300000000 ] - [ 0.0005457500000000, 0.0000202200000000, -0.0020146300000000 ] - [ 0.0011831600000000, -0.0001662900000000, 0.0027549600000000 ] - [ 0.0014728800000000, 0.0000000000000000, 0.0023862900000000 ] - [ 0.0011831600000000, 0.0001662900000000, 0.0027549600000000 ] - [ 0.0008729800000000, 0.0001695300000000, 0.0024527200000000 ] - [ 0.0006339400000000, 0.0000000000000000, 0.0017490800000000 ] - [ 0.0008729800000000, -0.0001695300000000, 0.0024527200000000 ] - [ 0.0023468100000000, 0.0000000000000000, -0.0000345800000000 ] - [ 0.0019864100000000, 0.0032129200000000, -0.0006247200000000 ] - [ 0.0019864100000000, -0.0032129200000000, -0.0006247200000000 ] - [ 0.0008659400000000, 0.0000689500000000, -0.0009237600000000 ] - [ -0.0002638300000000, 0.0000000000000000, -0.0006698200000000 ] - [ 0.0008659400000000, -0.0000689500000000, -0.0009237600000000 ] - [ -0.0000702600000000, 0.0000000000000000, -0.0055545500000000 ] - [ -0.0000899200000000, -0.0002291700000000, -0.0009628700000000 ] - [ -0.0000899200000000, 0.0002291700000000, -0.0009628700000000 ] - [ -0.0036312300000000, -0.0022611700000000, 0.0022883400000000 ] - [ -0.0019241200000000, 0.0000000000000000, 0.0011298500000000 ] - [ -0.0036312300000000, 0.0022611700000000, 0.0022883400000000 ] - [ 0.0004851900000000, 0.0000000000000000, -0.0018082500000000 ] - [ 0.0005177600000000, 0.0000269600000000, -0.0004326200000000 ] - [ 0.0005177600000000, -0.0000269600000000, -0.0004326200000000 ]- atom: 79 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ 0.0242100500000000, 0.0000000000000000, -0.0063950500000000 ] - [ 0.0004570100000000, -0.0008366200000000, 0.0002458300000000 ] - [ 0.0004570100000000, 0.0008366200000000, 0.0002458300000000 ] - [ 0.0007542300000000, 0.0000418600000000, -0.0000565200000000 ] - [ 0.0001865800000000, 0.0000000000000000, 0.0000546800000000 ] - [ 0.0007542300000000, -0.0000418600000000, -0.0000565200000000 ] - [ 0.0001493700000000, 0.0000000000000000, -0.0006647700000000 ] - [ 0.0001769700000000, 0.0000869200000000, -0.0005340400000000 ] - [ 0.0001769700000000, -0.0000869200000000, -0.0005340400000000 ] - [ 0.0000782000000000, -0.0001926000000000, -0.0004330800000000 ] - [ 0.0001519500000000, 0.0000000000000000, -0.0002467600000000 ] - [ 0.0000782000000000, 0.0001926000000000, -0.0004330800000000 ] - [ -0.0003120100000000, 0.0000000000000000, 0.0007643600000000 ] - [ -0.0001119700000000, -0.0002990500000000, 0.0004706100000000 ] - [ -0.0001119700000000, 0.0002990500000000, 0.0004706100000000 ] - [ 0.0012079000000000, 0.0000000000000000, -0.0082147900000000 ] - [ 0.0005289600000000, -0.0012820400000000, -0.0003452900000000 ] - [ 0.0005289600000000, 0.0012820400000000, -0.0003452900000000 ] - [ 0.0003683400000000, -0.0000899600000000, -0.0001553600000000 ] - [ 0.0002412300000000, 0.0000000000000000, 0.0004226100000000 ] - [ 0.0003683400000000, 0.0000899600000000, -0.0001553600000000 ] - [ 0.0036848900000000, -0.0016892400000000, 0.0008078800000000 ] - [ 0.0011904900000000, 0.0000000000000000, 0.0006351800000000 ] - [ 0.0036848900000000, 0.0016892400000000, 0.0008078800000000 ] - [ 0.0039753700000000, 0.0002724500000000, 0.0023904200000000 ] - [ 0.0036906700000000, 0.0000000000000000, 0.0011695200000000 ] - [ 0.0039753700000000, -0.0002724500000000, 0.0023904200000000 ] - [ -0.0008323000000000, 0.0000000000000000, -0.0003066900000000 ] - [ -0.0006533900000000, -0.0003034700000000, -0.0002592500000000 ] - [ -0.0006533900000000, 0.0003034700000000, -0.0002592500000000 ] - [ -0.0054442400000000, 0.0000000000000000, 0.0038965200000000 ] - [ -0.0031983500000000, 0.0003100200000000, 0.0034554900000000 ] - [ -0.0031983500000000, -0.0003100200000000, 0.0034554900000000 ] - [ -0.0042383400000000, 0.0000000000000000, -0.0015829800000000 ] - [ -0.0032469800000000, -0.0002081800000000, -0.0014449600000000 ] - [ -0.0032469800000000, 0.0002081800000000, -0.0014449600000000 ] - [ -0.0089275700000000, -0.0077627300000000, 0.0012990000000000 ] - [ -0.0002865700000000, 0.0000000000000000, -0.0002263500000000 ] - [ -0.0089275700000000, 0.0077627300000000, 0.0012990000000000 ] - [ -0.0011022400000000, -0.0000419100000000, -0.0013340700000000 ] - [ -0.0006929900000000, 0.0000000000000000, -0.0011631300000000 ] - [ -0.0011022400000000, 0.0000419100000000, -0.0013340700000000 ] - [ -0.0023261900000000, 0.0000212300000000, 0.0036857700000000 ] - [ -0.0006497700000000, 0.0000000000000000, 0.0003560600000000 ] - [ -0.0023261900000000, -0.0000212300000000, 0.0036857700000000 ] - [ 0.0803041300000000, 0.0000000000000000, 0.0729714400000000 ] - [ 0.0015955000000000, -0.0006166700000000, 0.0022436400000000 ] - [ 0.0015955000000000, 0.0006166700000000, 0.0022436400000000 ] - [ -0.0029616000000000, 0.0002584600000000, -0.0016024100000000 ] - [ -0.0003504700000000, 0.0000000000000000, -0.0004306100000000 ] - [ -0.0029616000000000, -0.0002584600000000, -0.0016024100000000 ] - [ 0.0000457100000000, 0.0000000000000000, -0.0007979100000000 ] - [ 0.0000540900000000, 0.0000108500000000, -0.0006658000000000 ] - [ 0.0000540900000000, -0.0000108500000000, -0.0006658000000000 ] - [ -0.0009839600000000, -0.0000004200000000, -0.0000796400000000 ] - [ -0.0002564400000000, 0.0000000000000000, 0.0003130300000000 ] - [ -0.0009839600000000, 0.0000004200000000, -0.0000796400000000 ] - [ 0.0003890200000000, 0.0000000000000000, -0.0016114600000000 ] - [ -0.0001792600000000, -0.0000163400000000, -0.0006342000000000 ] - [ -0.0001792600000000, 0.0000163400000000, -0.0006342000000000 ] - [ -0.0008356000000000, 0.0001158600000000, -0.0021218900000000 ] - [ -0.0007821200000000, 0.0000000000000000, -0.0007329800000000 ] - [ -0.0008356000000000, -0.0001158600000000, -0.0021218900000000 ] - [ 0.0587598400000000, 0.0000000000000000, 0.0431149900000000 ] - [ -0.0002834100000000, 0.0008785900000000, -0.0003559200000000 ] - [ -0.0002834100000000, -0.0008785900000000, -0.0003559200000000 ] - [ 0.0029897900000000, 0.0031459800000000, -0.0025472100000000 ] - [ 0.0000909200000000, 0.0000000000000000, 0.0000266500000000 ] - [ 0.0029897900000000, -0.0031459800000000, -0.0025472100000000 ] - [ -0.0004560400000000, 0.0000000000000000, 0.0006419500000000 ] - [ -0.0001102600000000, 0.0000903500000000, 0.0004795100000000 ] - [ -0.0001102600000000, -0.0000903500000000, 0.0004795100000000 ] - [ -0.0010020200000000, 0.0021016900000000, 0.0004565000000000 ] - [ -0.0003575300000000, 0.0000000000000000, 0.0001789600000000 ] - [ -0.0010020200000000, -0.0021016900000000, 0.0004565000000000 ] - [ -0.0140302000000000, 0.0000000000000000, 0.0031944500000000 ] - [ -0.0010175900000000, 0.0002799500000000, -0.0001091200000000 ] - [ -0.0010175900000000, -0.0002799500000000, -0.0001091200000000 ] - [ -0.1669334600000000, 0.0000000000000000, -0.1147494000000000 ] - [ -0.0034833700000000, -0.0002331300000000, -0.0044330400000000 ] - [ -0.0034833700000000, 0.0002331300000000, -0.0044330400000000 ] - [ -0.0002291100000000, 0.0001470500000000, 0.0009715300000000 ] - [ -0.0004198600000000, 0.0000000000000000, 0.0007778500000000 ] - [ -0.0002291100000000, -0.0001470500000000, 0.0009715300000000 ] - [ 0.0004124100000000, 0.0009563700000000, 0.0045345400000000 ] - [ 0.0004239800000000, 0.0000000000000000, -0.0000132700000000 ] - [ 0.0004124100000000, -0.0009563700000000, 0.0045345400000000 ] - [ 0.0007478000000000, -0.0001168400000000, 0.0020021100000000 ] - [ -0.0001107300000000, 0.0000000000000000, 0.0010326800000000 ] - [ 0.0007478000000000, 0.0001168400000000, 0.0020021100000000 ] - [ 0.0002098200000000, 0.0000000000000000, 0.0004842600000000 ] - [ 0.0002706000000000, 0.0000695100000000, 0.0004187500000000 ] - [ 0.0002706000000000, -0.0000695100000000, 0.0004187500000000 ] - [ 0.0003302200000000, 0.0000230500000000, 0.0005351900000000 ] - [ 0.0005271600000000, 0.0000000000000000, 0.0002315400000000 ] - [ 0.0003302200000000, -0.0000230500000000, 0.0005351900000000 ] - [ 0.0015768400000000, -0.0012440600000000, -0.0033843100000000 ] - [ -0.0007401100000000, 0.0000000000000000, -0.0018496500000000 ] - [ 0.0015768400000000, 0.0012440600000000, -0.0033843100000000 ] - [ -0.0002353700000000, 0.0000000000000000, -0.0006862300000000 ] - [ -0.0004413300000000, 0.0007255900000000, -0.0008196400000000 ] - [ -0.0004413300000000, -0.0007255900000000, -0.0008196400000000 ] - [ 0.0062951400000000, 0.0000000000000000, 0.0009778300000000 ] - [ 0.0063300400000000, -0.0077589100000000, -0.0021032900000000 ] - [ 0.0063300400000000, 0.0077589100000000, -0.0021032900000000 ] - [ 0.0010852200000000, -0.0000321400000000, 0.0002181500000000 ] - [ 0.0001998600000000, 0.0000000000000000, 0.0004713600000000 ] - [ 0.0010852200000000, 0.0000321400000000, 0.0002181500000000 ] - [ -0.0000299100000000, 0.0000000000000000, -0.0000594100000000 ] - [ 0.0000653200000000, -0.0000521500000000, -0.0001701500000000 ] - [ 0.0000653200000000, 0.0000521500000000, -0.0001701500000000 ] - [ -0.0002546800000000, 0.0000000000000000, 0.0008946100000000 ] - [ -0.0002600300000000, -0.0000098100000000, 0.0007698300000000 ] - [ -0.0002600300000000, 0.0000098100000000, 0.0007698300000000 ] - [ 0.0011102800000000, 0.0000000000000000, 0.0002935900000000 ] - [ 0.0010436100000000, -0.0000072800000000, -0.0000793200000000 ] - [ 0.0010436100000000, 0.0000072800000000, -0.0000793200000000 ] - [ 0.0012283200000000, 0.0000525000000000, 0.0020647000000000 ] - [ 0.0007067400000000, 0.0000000000000000, 0.0015270000000000 ] - [ 0.0012283200000000, -0.0000525000000000, 0.0020647000000000 ] - [ 0.0026541800000000, -0.0001562200000000, -0.0007407000000000 ] - [ 0.0015974600000000, 0.0000000000000000, -0.0012877600000000 ] - [ 0.0026541800000000, 0.0001562200000000, -0.0007407000000000 ] - [ 0.0026622800000000, 0.0000000000000000, -0.0009682500000000 ] - [ 0.0025956700000000, 0.0032687400000000, -0.0013302900000000 ] - [ 0.0025956700000000, -0.0032687400000000, -0.0013302900000000 ] - [ 0.0030544100000000, -0.0003392400000000, -0.0011118700000000 ] - [ 0.0010550300000000, 0.0000000000000000, -0.0005634900000000 ] - [ 0.0030544100000000, 0.0003392400000000, -0.0011118700000000 ] - [ 0.0007822300000000, 0.0000000000000000, 0.0016073000000000 ] - [ -0.0001046700000000, 0.0001588100000000, 0.0000522100000000 ] - [ -0.0001046700000000, -0.0001588100000000, 0.0000522100000000 ] - [ -0.0001226100000000, 0.0008520000000000, 0.0006922400000000 ] - [ -0.0005124300000000, 0.0000000000000000, 0.0000023200000000 ] - [ -0.0001226100000000, -0.0008520000000000, 0.0006922400000000 ] - [ 0.0009300800000000, 0.0000000000000000, 0.0019422900000000 ] - [ 0.0009273300000000, -0.0000712500000000, 0.0013414500000000 ] - [ 0.0009273300000000, 0.0000712500000000, 0.0013414500000000 ]- atom: 79 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0232119700000000, 0.0000000000000000, 0.0058428400000000 ] - [ -0.0008644200000000, 0.0008426000000000, -0.0000006500000000 ] - [ -0.0008644200000000, -0.0008426000000000, -0.0000006500000000 ] - [ -0.0009839800000000, -0.0000408200000000, 0.0005241400000000 ] - [ -0.0004155400000000, 0.0000000000000000, 0.0004137800000000 ] - [ -0.0009839800000000, 0.0000408200000000, 0.0005241400000000 ] - [ 0.0000771500000000, 0.0000000000000000, 0.0002048800000000 ] - [ 0.0000481100000000, -0.0000871100000000, 0.0000661500000000 ] - [ 0.0000481100000000, 0.0000871100000000, 0.0000661500000000 ] - [ 0.0003291000000000, 0.0001951400000000, 0.0001867800000000 ] - [ 0.0002547700000000, 0.0000000000000000, 0.0000013200000000 ] - [ 0.0003291000000000, -0.0001951400000000, 0.0001867800000000 ] - [ 0.0005106900000000, 0.0000000000000000, 0.0001095100000000 ] - [ 0.0003073300000000, 0.0003015200000000, 0.0004043800000000 ] - [ 0.0003073300000000, -0.0003015200000000, 0.0004043800000000 ] - [ -0.0000996800000000, 0.0000000000000000, 0.0080284500000000 ] - [ 0.0004982000000000, 0.0012906700000000, 0.0001125400000000 ] - [ 0.0004982000000000, -0.0012906700000000, 0.0001125400000000 ] - [ -0.0002550800000000, 0.0000916800000000, 0.0020151600000000 ] - [ -0.0001285700000000, 0.0000000000000000, 0.0014292900000000 ] - [ -0.0002550800000000, -0.0000916800000000, 0.0020151600000000 ] - [ -0.0027354700000000, 0.0017537200000000, -0.0016635300000000 ] - [ -0.0001673800000000, 0.0000000000000000, -0.0015157500000000 ] - [ -0.0027354700000000, -0.0017537200000000, -0.0016635300000000 ] - [ -0.0030973900000000, -0.0001007100000000, -0.0024589900000000 ] - [ -0.0027021600000000, 0.0000000000000000, -0.0010739400000000 ] - [ -0.0030973900000000, 0.0001007100000000, -0.0024589900000000 ] - [ -0.0001857700000000, 0.0000000000000000, 0.0002022900000000 ] - [ -0.0003626000000000, 0.0003080700000000, 0.0001551500000000 ] - [ -0.0003626000000000, -0.0003080700000000, 0.0001551500000000 ] - [ 0.0044342800000000, 0.0000000000000000, -0.0030585100000000 ] - [ 0.0021781900000000, -0.0003097000000000, -0.0026104900000000 ] - [ 0.0021781900000000, 0.0003097000000000, -0.0026104900000000 ] - [ 0.0041545500000000, 0.0000000000000000, -0.0002447000000000 ] - [ 0.0031523800000000, 0.0002114000000000, -0.0003904300000000 ] - [ 0.0031523800000000, -0.0002114000000000, -0.0003904300000000 ] - [ 0.0079321900000000, 0.0077630500000000, -0.0010527300000000 ] - [ -0.0007259100000000, 0.0000000000000000, 0.0004558300000000 ] - [ 0.0079321900000000, -0.0077630500000000, -0.0010527300000000 ] - [ 0.0009143300000000, 0.0000419800000000, 0.0004732200000000 ] - [ 0.0005049900000000, 0.0000000000000000, 0.0002994200000000 ] - [ 0.0009143300000000, -0.0000419800000000, 0.0004732200000000 ] - [ 0.0022219700000000, -0.0000219000000000, -0.0039956200000000 ] - [ 0.0005351000000000, 0.0000000000000000, -0.0006506400000000 ] - [ 0.0022219700000000, 0.0000219000000000, -0.0039956200000000 ] - [ -0.0807834600000000, 0.0000000000000000, -0.0689454100000000 ] - [ -0.0025802400000000, 0.0006281000000000, -0.0017285000000000 ] - [ -0.0025802400000000, -0.0006281000000000, -0.0017285000000000 ] - [ 0.0031914100000000, -0.0002589800000000, 0.0022203200000000 ] - [ 0.0005739000000000, 0.0000000000000000, 0.0010414600000000 ] - [ 0.0031914100000000, 0.0002589800000000, 0.0022203200000000 ] - [ -0.0002693300000000, 0.0000000000000000, 0.0001978000000000 ] - [ -0.0002779200000000, -0.0000107000000000, 0.0000658800000000 ] - [ -0.0002779200000000, 0.0000107000000000, 0.0000658800000000 ] - [ 0.0019701000000000, -0.0000014500000000, -0.0004568200000000 ] - [ 0.0012425800000000, 0.0000000000000000, -0.0008516700000000 ] - [ 0.0019701000000000, 0.0000014500000000, -0.0004568200000000 ] - [ -0.0002734800000000, 0.0000000000000000, 0.0019197800000000 ] - [ 0.0003041900000000, 0.0000166000000000, 0.0009341500000000 ] - [ 0.0003041900000000, -0.0000166000000000, 0.0009341500000000 ] - [ -0.0006809100000000, -0.0001179900000000, 0.0007666400000000 ] - [ -0.0007332000000000, 0.0000000000000000, -0.0006298200000000 ] - [ -0.0006809100000000, 0.0001179900000000, 0.0007666400000000 ] - [ -0.0555221700000000, 0.0000000000000000, -0.0424458900000000 ] - [ 0.0028061900000000, -0.0008838700000000, 0.0003170400000000 ] - [ 0.0028061900000000, 0.0008838700000000, 0.0003170400000000 ] - [ -0.0028236700000000, -0.0031549000000000, 0.0035532800000000 ] - [ 0.0000984100000000, 0.0000000000000000, 0.0009716300000000 ] - [ -0.0028236700000000, 0.0031549000000000, 0.0035532800000000 ] - [ -0.0000307000000000, 0.0000000000000000, -0.0002667900000000 ] - [ -0.0003805100000000, -0.0000917100000000, -0.0001031900000000 ] - [ -0.0003805100000000, 0.0000917100000000, -0.0001031900000000 ] - [ 0.0014315400000000, -0.0021065300000000, -0.0004912200000000 ] - [ 0.0007946800000000, 0.0000000000000000, -0.0002029600000000 ] - [ 0.0014315400000000, 0.0021065300000000, -0.0004912200000000 ] - [ 0.0129757400000000, 0.0000000000000000, -0.0025978200000000 ] - [ -0.0000401300000000, -0.0002890000000000, 0.0012932300000000 ] - [ -0.0000401300000000, 0.0002890000000000, 0.0012932300000000 ] - [ 0.1637257400000000, 0.0000000000000000, 0.1090734600000000 ] - [ 0.0024175800000000, 0.0002328600000000, 0.0013483300000000 ] - [ 0.0024175800000000, -0.0002328600000000, 0.0013483300000000 ] - [ -0.0014077700000000, -0.0001478900000000, 0.0002432200000000 ] - [ -0.0012170300000000, 0.0000000000000000, 0.0004393400000000 ] - [ -0.0014077700000000, 0.0001478900000000, 0.0002432200000000 ] - [ -0.0000574600000000, -0.0009676900000000, -0.0055626400000000 ] - [ -0.0000689100000000, 0.0000000000000000, -0.0009971500000000 ] - [ -0.0000574600000000, 0.0009676900000000, -0.0055626400000000 ] - [ -0.0013341800000000, 0.0001184700000000, -0.0010292800000000 ] - [ -0.0004744200000000, 0.0000000000000000, -0.0000597600000000 ] - [ -0.0013341800000000, -0.0001184700000000, -0.0010292800000000 ] - [ 0.0008528100000000, 0.0000000000000000, -0.0002209000000000 ] - [ 0.0007919600000000, -0.0000706400000000, -0.0001544900000000 ] - [ 0.0007919600000000, 0.0000706400000000, -0.0001544900000000 ] - [ 0.0003554600000000, -0.0000219100000000, 0.0002153900000000 ] - [ 0.0001502800000000, 0.0000000000000000, 0.0005315400000000 ] - [ 0.0003554600000000, 0.0000219100000000, 0.0002153900000000 ] - [ -0.0024949200000000, 0.0012674000000000, 0.0034380500000000 ] - [ -0.0001618900000000, 0.0000000000000000, 0.0018854000000000 ] - [ -0.0024949200000000, -0.0012674000000000, 0.0034380500000000 ] - [ 0.0011569400000000, 0.0000000000000000, 0.0006733100000000 ] - [ 0.0013691000000000, -0.0007436200000000, 0.0008150700000000 ] - [ 0.0013691000000000, 0.0007436200000000, 0.0008150700000000 ] - [ -0.0070941100000000, 0.0000000000000000, -0.0017966300000000 ] - [ -0.0070734600000000, 0.0078332500000000, 0.0013514600000000 ] - [ -0.0070734600000000, -0.0078332500000000, 0.0013514600000000 ] - [ -0.0021534800000000, 0.0000322800000000, -0.0004936200000000 ] - [ -0.0012641000000000, 0.0000000000000000, -0.0007461500000000 ] - [ -0.0021534800000000, -0.0000322800000000, -0.0004936200000000 ] - [ 0.0006150200000000, 0.0000000000000000, -0.0009236900000000 ] - [ 0.0005204400000000, 0.0000530200000000, -0.0008142900000000 ] - [ 0.0005204400000000, -0.0000530200000000, -0.0008142900000000 ] - [ -0.0000997400000000, 0.0000000000000000, 0.0001073600000000 ] - [ -0.0000971100000000, 0.0000095300000000, 0.0002344800000000 ] - [ -0.0000971100000000, -0.0000095300000000, 0.0002344800000000 ] - [ 0.0005203100000000, 0.0000000000000000, -0.0015295400000000 ] - [ 0.0005868400000000, 0.0000074300000000, -0.0011492400000000 ] - [ 0.0005868400000000, -0.0000074300000000, -0.0011492400000000 ] - [ -0.0001367500000000, -0.0000543000000000, 0.0010474500000000 ] - [ 0.0003845800000000, 0.0000000000000000, 0.0015862100000000 ] - [ -0.0001367500000000, 0.0000543000000000, 0.0010474500000000 ] - [ -0.0016107600000000, 0.0001568800000000, -0.0004301900000000 ] - [ -0.0005481200000000, 0.0000000000000000, 0.0001211400000000 ] - [ -0.0016107600000000, -0.0001568800000000, -0.0004301900000000 ] - [ -0.0031048300000000, 0.0000000000000000, 0.0009933600000000 ] - [ -0.0030359400000000, -0.0032689200000000, 0.0013571900000000 ] - [ -0.0030359400000000, 0.0032689200000000, 0.0013571900000000 ] - [ -0.0025855600000000, 0.0003431300000000, 0.0007373800000000 ] - [ -0.0005746300000000, 0.0000000000000000, 0.0001854300000000 ] - [ -0.0025855600000000, -0.0003431300000000, 0.0007373800000000 ] - [ -0.0009717700000000, 0.0000000000000000, -0.0026297900000000 ] - [ -0.0000862000000000, -0.0001598500000000, -0.0010518500000000 ] - [ -0.0000862000000000, 0.0001598500000000, -0.0010518500000000 ] - [ -0.0024063900000000, -0.0008543000000000, -0.0006376100000000 ] - [ -0.0020148200000000, 0.0000000000000000, 0.0000440600000000 ] - [ -0.0024063900000000, 0.0008543000000000, -0.0006376100000000 ] - [ 0.0005820000000000, 0.0000000000000000, -0.0005971600000000 ] - [ 0.0005852800000000, 0.0000715800000000, 0.0000122100000000 ] - [ 0.0005852800000000, -0.0000715800000000, 0.0000122100000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002628500000000, 0.0056766800000000, 0.0001273900000000 ] - [ -0.0007053300000000, -0.0009020200000000, 0.0002308800000000 ] - [ 0.0002863300000000, -0.0008998900000000, 0.0000132300000000 ] - [ -0.0008053700000000, 0.0001045600000000, 0.0008416700000000 ] - [ -0.0001148200000000, -0.0003023000000000, 0.0002352400000000 ] - [ 0.0005743700000000, 0.0001039400000000, -0.0003686300000000 ] - [ 0.0001161800000000, 0.0004162700000000, -0.0002238400000000 ] - [ 0.0001160400000000, -0.0002094000000000, -0.0000728600000000 ] - [ 0.0001125200000000, -0.0002092300000000, -0.0003754500000000 ] - [ 0.0001975300000000, 0.0000376300000000, -0.0001422000000000 ] - [ 0.0002032700000000, -0.0000806400000000, -0.0001230400000000 ] - [ 0.0002107000000000, 0.0000331100000000, -0.0001014500000000 ] - [ 0.0000949500000000, 0.0010936500000000, 0.0004390600000000 ] - [ -0.0000120100000000, -0.0005431000000000, 0.0007783300000000 ] - [ 0.0002018200000000, -0.0005453700000000, 0.0001004900000000 ] - [ 0.0005342700000000, -0.0002888800000000, -0.0000604500000000 ] - [ 0.0003407400000000, -0.0001937800000000, -0.0006081800000000 ] - [ 0.0006806100000000, -0.0002151800000000, 0.0003649400000000 ] - [ 0.0000187500000000, 0.0001194000000000, 0.0009925600000000 ] - [ 0.0000548900000000, -0.0002362100000000, 0.0009264200000000 ] - [ 0.0000889100000000, 0.0001166700000000, 0.0008728300000000 ] - [ -0.0001939300000000, 0.0006393900000000, -0.0029155000000000 ] - [ 0.0005131100000000, -0.0011157100000000, -0.0004470500000000 ] - [ 0.0011635100000000, 0.0005819000000000, 0.0020340400000000 ] - [ 0.0034608900000000, 0.0041878900000000, 0.0006140700000000 ] - [ 0.0004997900000000, -0.0091989800000000, 0.0000509800000000 ] - [ -0.0027234200000000, 0.0038900300000000, -0.0006771400000000 ] - [ -0.0005079600000000, 0.0003501800000000, -0.0000506000000000 ] - [ -0.0004773600000000, -0.0001900700000000, -0.0001313100000000 ] - [ -0.0005385600000000, -0.0001964500000000, 0.0000285600000000 ] - [ -0.0005104100000000, 0.0030323500000000, 0.0004246500000000 ] - [ 0.0009460700000000, -0.0013897400000000, -0.0030450400000000 ] - [ -0.0019527800000000, -0.0013951800000000, 0.0038838800000000 ] - [ -0.0000446500000000, 0.0018582200000000, -0.0009251900000000 ] - [ 0.0023177800000000, -0.0007102000000000, 0.0011503900000000 ] - [ -0.0024008500000000, -0.0007137400000000, -0.0029870200000000 ] - [ -0.0016508700000000, 0.0011921200000000, -0.0016862400000000 ] - [ -0.0005158900000000, -0.0013204200000000, 0.0001162200000000 ] - [ 0.0006794300000000, 0.0011206300000000, 0.0018919100000000 ] - [ 0.0007390900000000, 0.0005173800000000, 0.0000461200000000 ] - [ -0.0000909600000000, -0.0009491300000000, -0.0004308400000000 ] - [ -0.0009200400000000, 0.0005133500000000, -0.0009052900000000 ] - [ -0.0004538300000000, 0.0000676000000000, 0.0019093800000000 ] - [ -0.0000616500000000, 0.0000852300000000, -0.0001455600000000 ] - [ 0.0003384200000000, 0.0000670900000000, -0.0022094500000000 ] - [ -0.0008154800000000, 0.0532620500000000, -0.0002660800000000 ] - [ -0.0014802700000000, -0.0007952400000000, -0.0018442400000000 ] - [ 0.0004722800000000, -0.0007827800000000, 0.0023282600000000 ] - [ 0.0042541800000000, -0.0000501000000000, 0.0027872700000000 ] - [ 0.0001176200000000, -0.0002841500000000, 0.0003076900000000 ] - [ -0.0040037500000000, -0.0000495800000000, -0.0021610300000000 ] - [ -0.0001144600000000, 0.0000054800000000, -0.0002974200000000 ] - [ -0.0001890800000000, -0.0000050200000000, -0.0000405100000000 ] - [ -0.0000400200000000, -0.0000049800000000, -0.0005549600000000 ] - [ 0.0005697100000000, -0.0001069100000000, -0.0006496300000000 ] - [ 0.0004944200000000, 0.0002119300000000, -0.0002684200000000 ] - [ 0.0004305000000000, -0.0001048600000000, 0.0001145700000000 ] - [ 0.0000585200000000, -0.0000416700000000, 0.0001600900000000 ] - [ 0.0001875100000000, 0.0000188300000000, 0.0001826000000000 ] - [ -0.0000561300000000, 0.0000184100000000, 0.0001187000000000 ] - [ -0.0005830800000000, -0.0000830700000000, -0.0016234800000000 ] - [ -0.0007508400000000, 0.0002324200000000, -0.0006795800000000 ] - [ -0.0009186200000000, -0.0000820600000000, 0.0002709800000000 ] - [ 0.0010534500000000, -0.0183336500000000, -0.0001627300000000 ] - [ 0.0021398600000000, 0.0003419600000000, 0.0004977600000000 ] - [ 0.0004073500000000, 0.0003437900000000, -0.0005257500000000 ] - [ 0.0033334900000000, 0.0009976800000000, -0.0008413200000000 ] - [ 0.0001019500000000, 0.0004817400000000, 0.0004961600000000 ] - [ -0.0031084400000000, 0.0010063800000000, 0.0018320000000000 ] - [ -0.0002429100000000, -0.0001306200000000, 0.0001858200000000 ] - [ -0.0003647100000000, 0.0000613200000000, 0.0001681700000000 ] - [ -0.0001289200000000, 0.0000634800000000, 0.0002066300000000 ] - [ 0.0004314000000000, -0.0002154500000000, -0.0000690200000000 ] - [ 0.0002204000000000, 0.0003547700000000, -0.0000113100000000 ] - [ 0.0000112000000000, -0.0001816900000000, 0.0000360300000000 ] - [ -0.0005270900000000, -0.0145771000000000, 0.0003938000000000 ] - [ -0.0007467000000000, 0.0002632400000000, 0.0016329900000000 ] - [ -0.0003155500000000, 0.0002671300000000, -0.0004226900000000 ] - [ 0.0003443700000000, -0.0459291000000000, -0.0005417200000000 ] - [ -0.0003224500000000, 0.0022774000000000, -0.0010396800000000 ] - [ -0.0007753200000000, 0.0022528100000000, -0.0020634000000000 ] - [ -0.0012524600000000, -0.0002440500000000, 0.0005953300000000 ] - [ -0.0008189800000000, 0.0004731600000000, 0.0006079600000000 ] - [ -0.0003856000000000, -0.0002427300000000, 0.0006168500000000 ] - [ 0.0009727900000000, -0.0015344900000000, -0.0079758000000000 ] - [ 0.0001692400000000, 0.0005335200000000, -0.0005104300000000 ] - [ -0.0006110400000000, -0.0015265900000000, 0.0069046600000000 ] - [ -0.0016169800000000, 0.0000283300000000, -0.0011498000000000 ] - [ -0.0002984400000000, 0.0001520800000000, 0.0004914500000000 ] - [ 0.0010153300000000, 0.0000266200000000, 0.0021320600000000 ] - [ 0.0005338700000000, -0.0000912000000000, 0.0001306500000000 ] - [ 0.0006773500000000, 0.0000447000000000, -0.0000554600000000 ] - [ 0.0003888800000000, 0.0000465100000000, 0.0003182700000000 ] - [ 0.0001023600000000, -0.0000828900000000, 0.0005218600000000 ] - [ 0.0003392900000000, 0.0002617600000000, 0.0003833000000000 ] - [ 0.0005846700000000, -0.0000827200000000, 0.0002336100000000 ] - [ -0.0030449800000000, -0.0000490200000000, 0.0034640000000000 ] - [ -0.0004538800000000, 0.0016874100000000, 0.0000258800000000 ] - [ 0.0021262900000000, -0.0000471200000000, -0.0033983800000000 ] - [ 0.0004591900000000, -0.0007343600000000, -0.0000078800000000 ] - [ 0.0012888700000000, 0.0001316100000000, 0.0008014700000000 ] - [ -0.0003672200000000, 0.0001481200000000, -0.0008086200000000 ] - [ -0.0003511000000000, -0.0095320000000000, -0.0003627900000000 ] - [ -0.0081755600000000, 0.0137935900000000, 0.0015709900000000 ] - [ 0.0074271000000000, 0.0136936600000000, -0.0023130000000000 ] - [ -0.0023097300000000, -0.0004300500000000, -0.0002251100000000 ] - [ -0.0005364400000000, 0.0008807600000000, -0.0001397100000000 ] - [ 0.0012292600000000, -0.0004290200000000, -0.0000527500000000 ] - [ 0.0002983400000000, -0.0004210400000000, -0.0005009400000000 ] - [ 0.0004375100000000, 0.0002052000000000, -0.0007776000000000 ] - [ 0.0001588800000000, 0.0002046400000000, -0.0002250100000000 ] - [ -0.0001700900000000, -0.0000899600000000, 0.0005005900000000 ] - [ -0.0001554600000000, 0.0000481800000000, 0.0004084100000000 ] - [ -0.0001878100000000, 0.0000484400000000, 0.0005965100000000 ] - [ 0.0008153700000000, -0.0007296000000000, -0.0006121400000000 ] - [ 0.0008587000000000, 0.0003510000000000, -0.0016194300000000 ] - [ 0.0007724400000000, 0.0003520700000000, 0.0003892500000000 ] - [ 0.0005984200000000, -0.0000381800000000, 0.0016972500000000 ] - [ 0.0005498500000000, 0.0000916000000000, 0.0015588000000000 ] - [ 0.0004959600000000, -0.0000367100000000, 0.0014147800000000 ] - [ 0.0003691000000000, -0.0005613200000000, -0.0004587700000000 ] - [ 0.0005268500000000, 0.0012079100000000, -0.0005900400000000 ] - [ 0.0006716900000000, -0.0005610700000000, -0.0007220900000000 ] - [ -0.0002269400000000, -0.0003299700000000, 0.0000149400000000 ] - [ -0.0011950800000000, -0.0004190800000000, 0.0005387700000000 ] - [ 0.0007413900000000, -0.0003899800000000, -0.0005036300000000 ] - [ 0.0011257000000000, -0.0007843500000000, -0.0006756500000000 ] - [ 0.0002430400000000, 0.0011437700000000, -0.0001887700000000 ] - [ -0.0006406700000000, -0.0007801200000000, 0.0002971900000000 ] - [ -0.0001063000000000, -0.0000959500000000, -0.0005159500000000 ] - [ -0.0000524000000000, 0.0000260400000000, -0.0003894500000000 ] - [ -0.0001463700000000, 0.0000281200000000, -0.0006044800000000 ] - [ -0.0014057200000000, -0.0000744400000000, 0.0002810600000000 ] - [ -0.0012686500000000, 0.0000706600000000, 0.0000200900000000 ] - [ -0.0011405400000000, -0.0000581600000000, -0.0002423500000000 ] - [ 0.0007497600000000, -0.0004110100000000, 0.0006661000000000 ] - [ 0.0006865600000000, 0.0002124800000000, 0.0006388900000000 ] - [ 0.0008135800000000, 0.0002128100000000, 0.0007075500000000 ]- atom: 79 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0143982300000000, 0.0000000000000000, 0.0122131500000000 ] - [ 0.0001361400000000, 0.0005271000000000, 0.0005290900000000 ] - [ 0.0001361400000000, -0.0005271000000000, 0.0005290900000000 ] - [ 0.0001677100000000, 0.0003216200000000, -0.0006692300000000 ] - [ 0.0000825600000000, 0.0000000000000000, -0.0000637800000000 ] - [ 0.0001677100000000, -0.0003216200000000, -0.0006692300000000 ] - [ 0.0001307300000000, 0.0000000000000000, -0.0007751200000000 ] - [ 0.0002073000000000, 0.0000244900000000, -0.0006328900000000 ] - [ 0.0002073000000000, -0.0000244900000000, -0.0006328900000000 ] - [ 0.0000134200000000, -0.0003606300000000, -0.0003922700000000 ] - [ 0.0002080000000000, 0.0000000000000000, -0.0002863000000000 ] - [ 0.0000134200000000, 0.0003606300000000, -0.0003922700000000 ] - [ 0.0004719300000000, 0.0000000000000000, -0.0013146100000000 ] - [ 0.0000626800000000, 0.0003152600000000, -0.0007413000000000 ] - [ 0.0000626800000000, -0.0003152600000000, -0.0007413000000000 ] - [ -0.0081257200000000, 0.0000000000000000, -0.0102999600000000 ] - [ -0.0001800800000000, -0.0018494200000000, 0.0001755500000000 ] - [ -0.0001800800000000, 0.0018494200000000, 0.0001755500000000 ] - [ 0.0002404300000000, -0.0002412900000000, -0.0016885100000000 ] - [ 0.0000508000000000, 0.0000000000000000, -0.0004926400000000 ] - [ 0.0002404300000000, 0.0002412900000000, -0.0016885100000000 ] - [ 0.0083674200000000, -0.0074914100000000, -0.0029065200000000 ] - [ 0.0004161400000000, 0.0000000000000000, 0.0006342800000000 ] - [ 0.0083674200000000, 0.0074914100000000, -0.0029065200000000 ] - [ -0.0046758700000000, 0.0053975900000000, 0.0078291600000000 ] - [ 0.0035226900000000, 0.0000000000000000, 0.0017849800000000 ] - [ -0.0046758700000000, -0.0053975900000000, 0.0078291600000000 ] - [ -0.0001871000000000, 0.0000000000000000, -0.0011416600000000 ] - [ -0.0002863900000000, -0.0005264000000000, -0.0010579900000000 ] - [ -0.0002863900000000, 0.0005264000000000, -0.0010579900000000 ] - [ 0.0005684500000000, 0.0000000000000000, 0.0039202300000000 ] - [ -0.0012147600000000, -0.0011095500000000, 0.0046567100000000 ] - [ -0.0012147600000000, 0.0011095500000000, 0.0046567100000000 ] - [ -0.0014566200000000, 0.0000000000000000, -0.0013213400000000 ] - [ -0.0022218700000000, 0.0000876800000000, -0.0019080900000000 ] - [ -0.0022218700000000, -0.0000876800000000, -0.0019080900000000 ] - [ -0.0030198400000000, -0.0037580400000000, 0.0046206800000000 ] - [ -0.0000455400000000, 0.0000000000000000, 0.0011169500000000 ] - [ -0.0030198400000000, 0.0037580400000000, 0.0046206800000000 ] - [ -0.0005573800000000, -0.0002569900000000, -0.0019316800000000 ] - [ -0.0004486200000000, 0.0000000000000000, -0.0016432300000000 ] - [ -0.0005573800000000, 0.0002569900000000, -0.0019316800000000 ] - [ 0.0002861700000000, 0.0002044100000000, -0.0014521800000000 ] - [ -0.0005987000000000, 0.0000000000000000, 0.0000226200000000 ] - [ 0.0002861700000000, -0.0002044100000000, -0.0014521800000000 ] - [ 0.0574277600000000, 0.0000000000000000, 0.1762589800000000 ] - [ 0.0001739600000000, -0.0003812800000000, 0.0039217000000000 ] - [ 0.0001739600000000, 0.0003812800000000, 0.0039217000000000 ] - [ -0.0015298300000000, -0.0000579000000000, -0.0018749000000000 ] - [ -0.0000167600000000, 0.0000000000000000, -0.0006168700000000 ] - [ -0.0015298300000000, 0.0000579000000000, -0.0018749000000000 ] - [ -0.0002677100000000, 0.0000000000000000, -0.0016337500000000 ] - [ -0.0001873100000000, 0.0000070900000000, -0.0012230000000000 ] - [ -0.0001873100000000, -0.0000070900000000, -0.0012230000000000 ] - [ -0.0008606700000000, 0.0002773900000000, 0.0003293300000000 ] - [ 0.0000871700000000, 0.0000000000000000, 0.0002902600000000 ] - [ -0.0008606700000000, -0.0002773900000000, 0.0003293300000000 ] - [ 0.0008542400000000, 0.0000000000000000, -0.0024786800000000 ] - [ -0.0002680500000000, -0.0000362400000000, -0.0010155600000000 ] - [ -0.0002680500000000, 0.0000362400000000, -0.0010155600000000 ] - [ -0.0012112200000000, -0.0004290400000000, 0.0003285700000000 ] - [ -0.0007646600000000, 0.0000000000000000, -0.0004727700000000 ] - [ -0.0012112200000000, 0.0004290400000000, 0.0003285700000000 ] - [ 0.0323709200000000, 0.0000000000000000, 0.0021035600000000 ] - [ 0.0006615200000000, 0.0002536500000000, -0.0013061500000000 ] - [ 0.0006615200000000, -0.0002536500000000, -0.0013061500000000 ] - [ -0.0032276500000000, -0.0022140400000000, -0.0005889000000000 ] - [ -0.0000981500000000, 0.0000000000000000, -0.0001409000000000 ] - [ -0.0032276500000000, 0.0022140400000000, -0.0005889000000000 ] - [ -0.0006849900000000, 0.0000000000000000, 0.0009477600000000 ] - [ -0.0000855000000000, 0.0002131500000000, 0.0007304000000000 ] - [ -0.0000855000000000, -0.0002131500000000, 0.0007304000000000 ] - [ 0.0000728500000000, 0.0026593800000000, 0.0017228400000000 ] - [ -0.0002596400000000, 0.0000000000000000, 0.0004641000000000 ] - [ 0.0000728500000000, -0.0026593800000000, 0.0017228400000000 ] - [ 0.0014371300000000, 0.0000000000000000, 0.0710237400000000 ] - [ 0.0000483200000000, 0.0008373900000000, -0.0011478500000000 ] - [ 0.0000483200000000, -0.0008373900000000, -0.0011478500000000 ] - [ -0.0707607000000000, 0.0000000000000000, -0.2604865200000000 ] - [ -0.0026272300000000, -0.0004448700000000, -0.0045917200000000 ] - [ -0.0026272300000000, 0.0004448700000000, -0.0045917200000000 ] - [ -0.0005170600000000, -0.0000822600000000, 0.0019333900000000 ] - [ -0.0006645500000000, 0.0000000000000000, 0.0016119900000000 ] - [ -0.0005170600000000, 0.0000822600000000, 0.0019333900000000 ] - [ 0.0003628500000000, 0.0004781700000000, 0.0017208800000000 ] - [ 0.0003751100000000, 0.0000000000000000, -0.0000796300000000 ] - [ 0.0003628500000000, -0.0004781700000000, 0.0017208800000000 ] - [ 0.0001371600000000, -0.0000356400000000, 0.0017049100000000 ] - [ -0.0002559700000000, 0.0000000000000000, 0.0012517100000000 ] - [ 0.0001371600000000, 0.0000356400000000, 0.0017049100000000 ] - [ 0.0002674100000000, 0.0000000000000000, 0.0011868200000000 ] - [ 0.0003580900000000, 0.0001974500000000, 0.0009437100000000 ] - [ 0.0003580900000000, -0.0001974500000000, 0.0009437100000000 ] - [ -0.0001020600000000, -0.0000748100000000, 0.0018469500000000 ] - [ 0.0007524500000000, 0.0000000000000000, 0.0006140600000000 ] - [ -0.0001020600000000, 0.0000748100000000, 0.0018469500000000 ] - [ -0.0023055000000000, 0.0025325500000000, -0.0046971100000000 ] - [ -0.0000974700000000, 0.0000000000000000, -0.0023814500000000 ] - [ -0.0023055000000000, -0.0025325500000000, -0.0046971100000000 ] - [ -0.0013442400000000, 0.0000000000000000, -0.0004545600000000 ] - [ -0.0018902500000000, 0.0024257500000000, -0.0011747100000000 ] - [ -0.0018902500000000, -0.0024257500000000, -0.0011747100000000 ] - [ 0.0040430300000000, 0.0000000000000000, -0.0026343800000000 ] - [ 0.0062900900000000, -0.0084645400000000, -0.0021088000000000 ] - [ 0.0062900900000000, 0.0084645400000000, -0.0021088000000000 ] - [ 0.0004082600000000, 0.0000052600000000, 0.0005668600000000 ] - [ -0.0001455900000000, 0.0000000000000000, 0.0008520000000000 ] - [ 0.0004082600000000, -0.0000052600000000, 0.0005668600000000 ] - [ 0.0002034600000000, 0.0000000000000000, 0.0007868400000000 ] - [ 0.0002792600000000, -0.0001008800000000, 0.0003334100000000 ] - [ 0.0002792600000000, 0.0001008800000000, 0.0003334100000000 ] - [ 0.0000251000000000, 0.0000000000000000, 0.0016516200000000 ] - [ -0.0000587000000000, 0.0000225800000000, 0.0013241700000000 ] - [ -0.0000587000000000, -0.0000225800000000, 0.0013241700000000 ] - [ 0.0008786700000000, 0.0000000000000000, 0.0002649800000000 ] - [ 0.0009182300000000, 0.0000542700000000, 0.0003900900000000 ] - [ 0.0009182300000000, -0.0000542700000000, 0.0003900900000000 ] - [ 0.0008812700000000, 0.0001257700000000, 0.0016756500000000 ] - [ 0.0004827800000000, 0.0000000000000000, 0.0014351000000000 ] - [ 0.0008812700000000, -0.0001257700000000, 0.0016756500000000 ] - [ 0.0014478900000000, 0.0000016000000000, -0.0014146500000000 ] - [ 0.0007037100000000, 0.0000000000000000, -0.0011552300000000 ] - [ 0.0014478900000000, -0.0000016000000000, -0.0014146500000000 ] - [ 0.0005078700000000, 0.0000000000000000, -0.0013449600000000 ] - [ 0.0008265800000000, 0.0015535700000000, -0.0015863700000000 ] - [ 0.0008265800000000, -0.0015535700000000, -0.0015863700000000 ] - [ -0.0000455100000000, 0.0002408700000000, 0.0000526600000000 ] - [ 0.0008981500000000, 0.0000000000000000, -0.0003857000000000 ] - [ -0.0000455100000000, -0.0002408700000000, 0.0000526600000000 ] - [ 0.0006642100000000, 0.0000000000000000, 0.0036373200000000 ] - [ -0.0001316200000000, 0.0002173800000000, 0.0002493800000000 ] - [ -0.0001316200000000, -0.0002173800000000, 0.0002493800000000 ] - [ 0.0003357100000000, 0.0014927900000000, -0.0006096800000000 ] - [ -0.0006090400000000, 0.0000000000000000, -0.0003126100000000 ] - [ 0.0003357100000000, -0.0014927900000000, -0.0006096800000000 ] - [ 0.0009491900000000, 0.0000000000000000, 0.0027737200000000 ] - [ 0.0009462300000000, -0.0000008800000000, 0.0016689100000000 ] - [ 0.0009462300000000, 0.0000008800000000, 0.0016689100000000 ]- atom: 79 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0147472200000000, 0.0000000000000000, -0.0121693800000000 ] - [ -0.0005413000000000, -0.0005275100000000, -0.0002853200000000 ] - [ -0.0005413000000000, 0.0005275100000000, -0.0002853200000000 ] - [ -0.0003900600000000, -0.0003258500000000, 0.0011353000000000 ] - [ -0.0003094600000000, 0.0000000000000000, 0.0005205400000000 ] - [ -0.0003900600000000, 0.0003258500000000, 0.0011353000000000 ] - [ 0.0000960400000000, 0.0000000000000000, 0.0003087400000000 ] - [ 0.0000198600000000, -0.0000239700000000, 0.0001585700000000 ] - [ 0.0000198600000000, 0.0000239700000000, 0.0001585700000000 ] - [ 0.0003933400000000, 0.0003596200000000, 0.0001475500000000 ] - [ 0.0002012400000000, 0.0000000000000000, 0.0000449800000000 ] - [ 0.0003933400000000, -0.0003596200000000, 0.0001475500000000 ] - [ -0.0002891000000000, 0.0000000000000000, 0.0021881300000000 ] - [ 0.0001251700000000, -0.0003177100000000, 0.0016117600000000 ] - [ 0.0001251700000000, 0.0003177100000000, 0.0016117600000000 ] - [ 0.0090577800000000, 0.0000000000000000, 0.0100289500000000 ] - [ 0.0011960400000000, 0.0018392700000000, -0.0004047300000000 ] - [ 0.0011960400000000, -0.0018392700000000, -0.0004047300000000 ] - [ -0.0001287800000000, 0.0002400700000000, 0.0035218000000000 ] - [ 0.0000610600000000, 0.0000000000000000, 0.0023344800000000 ] - [ -0.0001287800000000, -0.0002400700000000, 0.0035218000000000 ] - [ -0.0072869900000000, 0.0074406500000000, 0.0020341000000000 ] - [ 0.0006058900000000, 0.0000000000000000, -0.0015009000000000 ] - [ -0.0072869900000000, -0.0074406500000000, 0.0020341000000000 ] - [ 0.0057266200000000, -0.0054295100000000, -0.0078240500000000 ] - [ -0.0024996500000000, 0.0000000000000000, -0.0016725100000000 ] - [ 0.0057266200000000, 0.0054295100000000, -0.0078240500000000 ] - [ -0.0008236500000000, 0.0000000000000000, 0.0010304200000000 ] - [ -0.0007266400000000, 0.0005234300000000, 0.0009466200000000 ] - [ -0.0007266400000000, -0.0005234300000000, 0.0009466200000000 ] - [ -0.0016002300000000, 0.0000000000000000, -0.0030196400000000 ] - [ 0.0001848400000000, 0.0011097600000000, -0.0037548800000000 ] - [ 0.0001848400000000, -0.0011097600000000, -0.0037548800000000 ] - [ 0.0013290900000000, 0.0000000000000000, -0.0005347900000000 ] - [ 0.0021002600000000, -0.0000862600000000, 0.0000560500000000 ] - [ 0.0021002600000000, 0.0000862600000000, 0.0000560500000000 ] - [ 0.0020081800000000, 0.0037688100000000, -0.0043858500000000 ] - [ -0.0009761500000000, 0.0000000000000000, -0.0008757000000000 ] - [ 0.0020081800000000, -0.0037688100000000, -0.0043858500000000 ] - [ 0.0003609600000000, 0.0002569100000000, 0.0010530800000000 ] - [ 0.0002560800000000, 0.0000000000000000, 0.0007656400000000 ] - [ 0.0003609600000000, -0.0002569100000000, 0.0010530800000000 ] - [ -0.0004269900000000, -0.0002079400000000, 0.0011559000000000 ] - [ 0.0004688600000000, 0.0000000000000000, -0.0003159700000000 ] - [ -0.0004269900000000, 0.0002079400000000, 0.0011559000000000 ] - [ -0.0522568700000000, 0.0000000000000000, -0.1670581100000000 ] - [ -0.0011547200000000, 0.0003873600000000, -0.0033736800000000 ] - [ -0.0011547200000000, -0.0003873600000000, -0.0033736800000000 ] - [ 0.0017350200000000, 0.0000637600000000, 0.0024665100000000 ] - [ 0.0002416700000000, 0.0000000000000000, 0.0012146800000000 ] - [ 0.0017350200000000, -0.0000637600000000, 0.0024665100000000 ] - [ 0.0000409900000000, 0.0000000000000000, 0.0010279900000000 ] - [ -0.0000391900000000, -0.0000069000000000, 0.0006180200000000 ] - [ -0.0000391900000000, 0.0000069000000000, 0.0006180200000000 ] - [ 0.0018361100000000, -0.0002742600000000, -0.0008524100000000 ] - [ 0.0008932600000000, 0.0000000000000000, -0.0008140300000000 ] - [ 0.0018361100000000, 0.0002742600000000, -0.0008524100000000 ] - [ -0.0007291500000000, 0.0000000000000000, 0.0027628000000000 ] - [ 0.0003915700000000, 0.0000362000000000, 0.0013027100000000 ] - [ 0.0003915700000000, -0.0000362000000000, 0.0013027100000000 ] - [ -0.0002835000000000, 0.0004344500000000, -0.0016838600000000 ] - [ -0.0007374800000000, 0.0000000000000000, -0.0008808900000000 ] - [ -0.0002835000000000, -0.0004344500000000, -0.0016838600000000 ] - [ -0.0299364400000000, 0.0000000000000000, -0.0024281400000000 ] - [ 0.0018672600000000, -0.0002551000000000, 0.0012616900000000 ] - [ 0.0018672600000000, 0.0002551000000000, 0.0012616900000000 ] - [ 0.0034399200000000, 0.0022235000000000, 0.0015900100000000 ] - [ 0.0002965900000000, 0.0000000000000000, 0.0011307700000000 ] - [ 0.0034399200000000, -0.0022235000000000, 0.0015900100000000 ] - [ 0.0001954300000000, 0.0000000000000000, -0.0005654600000000 ] - [ -0.0004032000000000, -0.0002114900000000, -0.0003483200000000 ] - [ -0.0004032000000000, 0.0002114900000000, -0.0003483200000000 ] - [ 0.0003702500000000, -0.0026419200000000, -0.0017280400000000 ] - [ 0.0006915100000000, 0.0000000000000000, -0.0004832600000000 ] - [ 0.0003702500000000, 0.0026419200000000, -0.0017280400000000 ] - [ -0.0024033500000000, 0.0000000000000000, -0.0685071100000000 ] - [ -0.0011031500000000, -0.0008342900000000, 0.0023236800000000 ] - [ -0.0011031500000000, 0.0008342900000000, 0.0023236800000000 ] - [ 0.0626638800000000, 0.0000000000000000, 0.2478941000000000 ] - [ 0.0015248400000000, 0.0004440300000000, 0.0014652600000000 ] - [ 0.0015248400000000, -0.0004440300000000, 0.0014652600000000 ] - [ -0.0011113400000000, 0.0000834500000000, -0.0007072700000000 ] - [ -0.0009668800000000, 0.0000000000000000, -0.0003883400000000 ] - [ -0.0011113400000000, -0.0000834500000000, -0.0007072700000000 ] - [ -0.0000398500000000, -0.0004592700000000, -0.0026605600000000 ] - [ -0.0000305700000000, 0.0000000000000000, -0.0009265700000000 ] - [ -0.0000398500000000, 0.0004592700000000, -0.0026605600000000 ] - [ -0.0007225900000000, 0.0000348300000000, -0.0006965800000000 ] - [ -0.0003379200000000, 0.0000000000000000, -0.0002548200000000 ] - [ -0.0007225900000000, -0.0000348300000000, -0.0006965800000000 ] - [ 0.0007959200000000, 0.0000000000000000, -0.0009149200000000 ] - [ 0.0007040000000000, -0.0001962000000000, -0.0006714400000000 ] - [ 0.0007040000000000, 0.0001962000000000, -0.0006714400000000 ] - [ 0.0007822300000000, 0.0000740400000000, -0.0010730700000000 ] - [ -0.0000670700000000, 0.0000000000000000, 0.0001507700000000 ] - [ 0.0007822300000000, -0.0000740400000000, -0.0010730700000000 ] - [ 0.0013893600000000, -0.0025354200000000, 0.0047181200000000 ] - [ -0.0008096300000000, 0.0000000000000000, 0.0023894800000000 ] - [ 0.0013893600000000, 0.0025354200000000, 0.0047181200000000 ] - [ 0.0022418100000000, 0.0000000000000000, 0.0004298900000000 ] - [ 0.0027784600000000, -0.0024060900000000, 0.0011442300000000 ] - [ 0.0027784600000000, 0.0024060900000000, 0.0011442300000000 ] - [ -0.0046927000000000, 0.0000000000000000, 0.0018950700000000 ] - [ -0.0069559600000000, 0.0084504000000000, 0.0013196700000000 ] - [ -0.0069559600000000, -0.0084504000000000, 0.0013196700000000 ] - [ -0.0014657900000000, -0.0000059400000000, -0.0008330700000000 ] - [ -0.0009165900000000, 0.0000000000000000, -0.0011179400000000 ] - [ -0.0014657900000000, 0.0000059400000000, -0.0008330700000000 ] - [ 0.0003908100000000, 0.0000000000000000, -0.0017799300000000 ] - [ 0.0003146600000000, 0.0001012800000000, -0.0013269300000000 ] - [ 0.0003146600000000, -0.0001012800000000, -0.0013269300000000 ] - [ -0.0003676900000000, 0.0000000000000000, -0.0006387100000000 ] - [ -0.0002857700000000, -0.0000224700000000, -0.0003110300000000 ] - [ -0.0002857700000000, 0.0000224700000000, -0.0003110300000000 ] - [ 0.0007578800000000, 0.0000000000000000, -0.0014768000000000 ] - [ 0.0007168600000000, -0.0000543200000000, -0.0016070400000000 ] - [ 0.0007168600000000, 0.0000543200000000, -0.0016070400000000 ] - [ 0.0002185200000000, -0.0001253900000000, 0.0014377700000000 ] - [ 0.0006153200000000, 0.0000000000000000, 0.0016777300000000 ] - [ 0.0002185200000000, 0.0001253900000000, 0.0014377700000000 ] - [ -0.0003848300000000, -0.0000018000000000, 0.0002192100000000 ] - [ 0.0003574100000000, 0.0000000000000000, -0.0000383600000000 ] - [ -0.0003848300000000, 0.0000018000000000, 0.0002192100000000 ] - [ -0.0009403500000000, 0.0000000000000000, 0.0013623700000000 ] - [ -0.0012589700000000, -0.0015556700000000, 0.0016064300000000 ] - [ -0.0012589700000000, 0.0015556700000000, 0.0016064300000000 ] - [ 0.0005463000000000, -0.0002449300000000, -0.0004304000000000 ] - [ -0.0004044900000000, 0.0000000000000000, 0.0000075200000000 ] - [ 0.0005463000000000, 0.0002449300000000, -0.0004304000000000 ] - [ -0.0008657200000000, 0.0000000000000000, -0.0046067100000000 ] - [ -0.0000673100000000, -0.0002161900000000, -0.0012360200000000 ] - [ -0.0000673100000000, 0.0002161900000000, -0.0012360200000000 ] - [ -0.0028535400000000, -0.0014800900000000, 0.0006419800000000 ] - [ -0.0019152400000000, 0.0000000000000000, 0.0003475600000000 ] - [ -0.0028535400000000, 0.0014800900000000, 0.0006419800000000 ] - [ 0.0005548100000000, 0.0000000000000000, -0.0014102700000000 ] - [ 0.0005577500000000, 0.0000000700000000, -0.0003081500000000 ] - [ 0.0005577500000000, -0.0000000700000000, -0.0003081500000000 ]- atom: 82 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0004334200000000, 0.0001289600000000, 0.0004471200000000 ] - [ -0.0004334200000000, -0.0001289600000000, 0.0004471200000000 ] - [ -0.0004008000000000, 0.0000000000000000, 0.0007138800000000 ] - [ -0.0029126100000000, 0.0000000000000000, 0.0005172000000000 ] - [ -0.0011620400000000, 0.0000010100000000, 0.0002081100000000 ] - [ -0.0011620400000000, -0.0000010100000000, 0.0002081100000000 ] - [ -0.0011226800000000, 0.0019004000000000, 0.0010304500000000 ] - [ -0.0011226800000000, -0.0019004000000000, 0.0010304500000000 ] - [ -0.0003093000000000, 0.0000000000000000, -0.0000376200000000 ] - [ 0.0000844100000000, 0.0000000000000000, 0.0003538900000000 ] - [ 0.0000496800000000, -0.0002212100000000, 0.0002028200000000 ] - [ 0.0000496800000000, 0.0002212100000000, 0.0002028200000000 ] - [ 0.0152008400000000, 0.0063916000000000, -0.0070923700000000 ] - [ 0.0152008400000000, -0.0063916000000000, -0.0070923700000000 ] - [ 0.0017271200000000, 0.0000000000000000, -0.0006788300000000 ] - [ 0.0015696500000000, -0.0010608300000000, 0.0007073100000000 ] - [ 0.0015696500000000, 0.0010608300000000, 0.0007073100000000 ] - [ 0.0007190000000000, 0.0000000000000000, -0.0001228500000000 ] - [ 0.0160103500000000, 0.0000000000000000, 0.0091367300000000 ] - [ 0.0030989000000000, 0.0004808200000000, -0.0013138400000000 ] - [ 0.0030989000000000, -0.0004808200000000, -0.0013138400000000 ] - [ -0.0003312300000000, 0.0000000000000000, -0.0017455000000000 ] - [ 0.0004855000000000, -0.0000369100000000, -0.0011242500000000 ] - [ 0.0004855000000000, 0.0000369100000000, -0.0011242500000000 ] - [ 0.0002228600000000, 0.0000000000000000, -0.0034001000000000 ] - [ 0.0000096900000000, -0.0006841300000000, -0.0004525600000000 ] - [ 0.0000096900000000, 0.0006841300000000, -0.0004525600000000 ] - [ -0.0012863700000000, 0.0000169400000000, -0.0011751100000000 ] - [ -0.0012863700000000, -0.0000169400000000, -0.0011751100000000 ] - [ -0.0008348000000000, 0.0000000000000000, -0.0004411900000000 ] - [ -0.0003193400000000, 0.0002711800000000, -0.0005314800000000 ] - [ -0.0003193400000000, -0.0002711800000000, -0.0005314800000000 ] - [ -0.0003449900000000, 0.0000000000000000, -0.0000555500000000 ] - [ 0.0023669400000000, 0.0023756000000000, -0.0049587100000000 ] - [ 0.0023669400000000, -0.0023756000000000, -0.0049587100000000 ] - [ 0.0010532400000000, 0.0000000000000000, -0.0016252200000000 ] - [ 0.0001723300000000, 0.0000000000000000, 0.0002511300000000 ] - [ 0.0001924400000000, -0.0002869700000000, 0.0005516800000000 ] - [ 0.0001924400000000, 0.0002869700000000, 0.0005516800000000 ] - [ 0.0013808900000000, 0.0000000000000000, -0.0021297800000000 ] - [ 0.0011789500000000, -0.0038786400000000, 0.0003805400000000 ] - [ 0.0011789500000000, 0.0038786400000000, 0.0003805400000000 ] - [ 0.0037383300000000, 0.0000000000000000, 0.0021671400000000 ] - [ 0.0039457400000000, -0.0005178700000000, 0.0033815500000000 ] - [ 0.0039457400000000, 0.0005178700000000, 0.0033815500000000 ] - [ -0.0007280600000000, -0.0000722700000000, -0.0004177600000000 ] - [ -0.0007280600000000, 0.0000722700000000, -0.0004177600000000 ] - [ -0.0006053000000000, 0.0000000000000000, -0.0000641000000000 ] - [ -0.0005616700000000, 0.0000000000000000, -0.0107453100000000 ] - [ -0.0005816400000000, -0.0002198500000000, -0.0000141400000000 ] - [ -0.0005816400000000, 0.0002198500000000, -0.0000141400000000 ] - [ -0.0050932800000000, 0.0001479500000000, 0.0014451900000000 ] - [ -0.0050932800000000, -0.0001479500000000, 0.0014451900000000 ] - [ -0.0005009800000000, 0.0000000000000000, -0.0006643400000000 ] - [ 0.0006235300000000, 0.0000000000000000, -0.0005436100000000 ] - [ 0.0006130900000000, -0.0000669800000000, -0.0005536400000000 ] - [ 0.0006130900000000, 0.0000669800000000, -0.0005536400000000 ] - [ 0.0004723500000000, -0.0002241400000000, 0.0026869700000000 ] - [ 0.0004723500000000, 0.0002241400000000, 0.0026869700000000 ] - [ 0.0019626600000000, 0.0000000000000000, 0.0010828700000000 ] - [ -0.0020334400000000, 0.0000000000000000, -0.0039070300000000 ] - [ -0.0003481000000000, -0.0050097200000000, -0.0056706900000000 ] - [ -0.0003481000000000, 0.0050097200000000, -0.0056706900000000 ] - [ 0.0013300600000000, -0.0000872300000000, 0.0000896600000000 ] - [ 0.0013300600000000, 0.0000872300000000, 0.0000896600000000 ] - [ 0.0012327800000000, 0.0000000000000000, -0.0000332600000000 ] - [ -0.0004945300000000, 0.0000000000000000, -0.0008103000000000 ] - [ -0.0004220300000000, 0.0004105300000000, -0.0014001800000000 ] - [ -0.0004220300000000, -0.0004105300000000, -0.0014001800000000 ] - [ -0.0027067300000000, -0.0035609800000000, -0.0043982000000000 ] - [ -0.0027067300000000, 0.0035609800000000, -0.0043982000000000 ] - [ -0.0021513400000000, 0.0000000000000000, 0.0003707500000000 ] - [ -0.0026093700000000, 0.0000000000000000, 0.0043328300000000 ] - [ 0.0000580700000000, 0.0000178700000000, 0.0001906300000000 ] - [ 0.0000580700000000, -0.0000178700000000, 0.0001906300000000 ] - [ -0.0007046200000000, 0.0000811000000000, 0.0009401000000000 ] - [ -0.0007046200000000, -0.0000811000000000, 0.0009401000000000 ] - [ -0.0006080800000000, 0.0000000000000000, 0.0007723200000000 ] - [ 0.0000416400000000, -0.0004357400000000, -0.0010893600000000 ] - [ 0.0000416400000000, 0.0004357400000000, -0.0010893600000000 ] - [ -0.0001497700000000, 0.0000000000000000, -0.0012910200000000 ] - [ -0.0594847800000000, 0.0000000000000000, -0.0046921800000000 ] - [ -0.0036977900000000, -0.0021163100000000, 0.0043267200000000 ] - [ -0.0036977900000000, 0.0021163100000000, 0.0043267200000000 ] - [ 0.0032144200000000, 0.0000000000000000, 0.0052791800000000 ] - [ 0.0009586400000000, 0.0001899800000000, -0.0002294500000000 ] - [ 0.0009586400000000, -0.0001899800000000, -0.0002294500000000 ] - [ 0.0186474000000000, 0.0000000000000000, 0.0082920800000000 ] - [ -0.0003069200000000, 0.0005831600000000, 0.0006402800000000 ] - [ -0.0003069200000000, -0.0005831600000000, 0.0006402800000000 ] - [ 0.0048868100000000, 0.0079215000000000, 0.0038594400000000 ] - [ 0.0048868100000000, -0.0079215000000000, 0.0038594400000000 ] - [ 0.0004370000000000, 0.0000000000000000, 0.0006942300000000 ] - [ 0.0008964000000000, 0.0000000000000000, 0.0006721200000000 ] - [ 0.0005009400000000, -0.0003409200000000, 0.0010270000000000 ] - [ 0.0005009400000000, 0.0003409200000000, 0.0010270000000000 ] - [ -0.0008876700000000, 0.0000000000000000, 0.0014901600000000 ] - [ -0.0003907000000000, 0.0001564400000000, 0.0005005900000000 ] - [ -0.0003907000000000, -0.0001564400000000, 0.0005005900000000 ] - [ 0.0005909200000000, 0.0000250000000000, 0.0005367900000000 ] - [ 0.0005909200000000, -0.0000250000000000, 0.0005367900000000 ] - [ 0.0004635000000000, 0.0000000000000000, 0.0004044400000000 ] - [ -0.0000271400000000, -0.0007007600000000, 0.0005179600000000 ] - [ -0.0000271400000000, 0.0007007600000000, 0.0005179600000000 ] - [ -0.0004864000000000, 0.0000000000000000, -0.0000911700000000 ] - [ -0.0018341500000000, 0.0000000000000000, 0.0083236100000000 ] - [ -0.0001083400000000, 0.0007738700000000, 0.0001465500000000 ] - [ -0.0001083400000000, -0.0007738700000000, 0.0001465500000000 ] - [ 0.0003690300000000, 0.0000824500000000, -0.0013426100000000 ] - [ 0.0003690300000000, -0.0000824500000000, -0.0013426100000000 ] - [ 0.0004965400000000, 0.0000000000000000, -0.0000784300000000 ] - [ 0.0026869200000000, -0.0006546000000000, 0.0007141900000000 ] - [ 0.0026869200000000, 0.0006546000000000, 0.0007141900000000 ] - [ 0.0003070200000000, 0.0000000000000000, 0.0007210000000000 ] - [ -0.0023115700000000, -0.0078005100000000, 0.0044556200000000 ] - [ -0.0023115700000000, 0.0078005100000000, 0.0044556200000000 ] - [ -0.0005281000000000, 0.0000000000000000, -0.0001586800000000 ] - [ 0.0008581900000000, 0.0000000000000000, 0.0017059200000000 ] - [ 0.0007845300000000, 0.0000291400000000, 0.0017319700000000 ] - [ 0.0007845300000000, -0.0000291400000000, 0.0017319700000000 ] - [ 0.0002314000000000, 0.0000000000000000, -0.0003646800000000 ] - [ 0.0002029400000000, 0.0001218300000000, -0.0003743400000000 ] - [ 0.0002029400000000, -0.0001218300000000, -0.0003743400000000 ] - [ -0.0009144600000000, -0.0001141300000000, 0.0008695000000000 ] - [ -0.0009144600000000, 0.0001141300000000, 0.0008695000000000 ] - [ -0.0004131300000000, 0.0000000000000000, 0.0001395100000000 ] - [ -0.0021441100000000, 0.0000000000000000, 0.0000816100000000 ] - [ -0.0027068300000000, 0.0007270100000000, -0.0003233700000000 ] - [ -0.0027068300000000, -0.0007270100000000, -0.0003233700000000 ] - [ 0.0002151900000000, 0.0002693500000000, -0.0025954900000000 ] - [ 0.0002151900000000, -0.0002693500000000, -0.0025954900000000 ] - [ -0.0004798200000000, 0.0000000000000000, -0.0008673300000000 ] - [ -0.0015678800000000, 0.0000000000000000, -0.0000164400000000 ] - [ -0.0015743200000000, -0.0001764200000000, -0.0000064900000000 ] - [ -0.0015743200000000, 0.0001764200000000, -0.0000064900000000 ] - [ -0.0009174700000000, -0.0029299300000000, -0.0026436400000000 ] - [ -0.0009174700000000, 0.0029299300000000, -0.0026436400000000 ] - [ 0.0003036500000000, 0.0000000000000000, -0.0007001700000000 ]- atom: 82 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0000282100000000, -0.0001264000000000, -0.0001901200000000 ] - [ 0.0000282100000000, 0.0001264000000000, -0.0001901200000000 ] - [ -0.0000023900000000, 0.0000000000000000, -0.0004485200000000 ] - [ 0.0026711300000000, 0.0000000000000000, -0.0000633300000000 ] - [ 0.0009218400000000, -0.0000056800000000, 0.0002491800000000 ] - [ 0.0009218400000000, 0.0000056800000000, 0.0002491800000000 ] - [ 0.0013383100000000, -0.0018792200000000, -0.0014799300000000 ] - [ 0.0013383100000000, 0.0018792200000000, -0.0014799300000000 ] - [ 0.0005330600000000, 0.0000000000000000, -0.0004263100000000 ] - [ 0.0003176900000000, 0.0000000000000000, -0.0006040000000000 ] - [ 0.0003513800000000, 0.0002205600000000, -0.0004539300000000 ] - [ 0.0003513800000000, -0.0002205600000000, -0.0004539300000000 ] - [ -0.0150003800000000, -0.0066025600000000, 0.0080959000000000 ] - [ -0.0150003800000000, 0.0066025600000000, 0.0080959000000000 ] - [ -0.0015169000000000, 0.0000000000000000, 0.0015256400000000 ] - [ -0.0005386900000000, 0.0010455900000000, -0.0009411200000000 ] - [ -0.0005386900000000, -0.0010455900000000, -0.0009411200000000 ] - [ 0.0003027400000000, 0.0000000000000000, -0.0001103700000000 ] - [ -0.0158244800000000, 0.0000000000000000, -0.0073938900000000 ] - [ -0.0029936500000000, -0.0004760500000000, 0.0031532000000000 ] - [ -0.0029936500000000, 0.0004760500000000, 0.0031532000000000 ] - [ 0.0013528300000000, 0.0000000000000000, 0.0008407400000000 ] - [ 0.0005398400000000, 0.0000390500000000, 0.0002434300000000 ] - [ 0.0005398400000000, -0.0000390500000000, 0.0002434300000000 ] - [ 0.0007877500000000, 0.0000000000000000, 0.0034638900000000 ] - [ 0.0010000900000000, 0.0006764600000000, 0.0005514800000000 ] - [ 0.0010000900000000, -0.0006764600000000, 0.0005514800000000 ] - [ 0.0002584000000000, -0.0000410200000000, 0.0010718900000000 ] - [ 0.0002584000000000, 0.0000410200000000, 0.0010718900000000 ] - [ -0.0001816600000000, 0.0000000000000000, 0.0003354100000000 ] - [ -0.0007039000000000, -0.0002691800000000, 0.0013938400000000 ] - [ -0.0007039000000000, 0.0002691800000000, 0.0013938400000000 ] - [ -0.0006779200000000, 0.0000000000000000, 0.0009252100000000 ] - [ -0.0024476600000000, -0.0023472800000000, 0.0030745800000000 ] - [ -0.0024476600000000, 0.0023472800000000, 0.0030745800000000 ] - [ -0.0011513600000000, 0.0000000000000000, -0.0002301800000000 ] - [ -0.0011868000000000, 0.0000000000000000, -0.0000171400000000 ] - [ -0.0012034400000000, 0.0002848800000000, -0.0003112400000000 ] - [ -0.0012034400000000, -0.0002848800000000, -0.0003112400000000 ] - [ -0.0006940100000000, 0.0000000000000000, 0.0014798800000000 ] - [ -0.0013537300000000, 0.0038457000000000, -0.0012446100000000 ] - [ -0.0013537300000000, -0.0038457000000000, -0.0012446100000000 ] - [ -0.0038391100000000, 0.0000000000000000, -0.0024338200000000 ] - [ -0.0040159000000000, 0.0005081400000000, -0.0036295400000000 ] - [ -0.0040159000000000, -0.0005081400000000, -0.0036295400000000 ] - [ -0.0002575000000000, 0.0000718500000000, 0.0009383100000000 ] - [ -0.0002575000000000, -0.0000718500000000, 0.0009383100000000 ] - [ -0.0003793900000000, 0.0000000000000000, 0.0005901900000000 ] - [ 0.0007625100000000, 0.0000000000000000, 0.0112272900000000 ] - [ 0.0008030800000000, 0.0002168000000000, 0.0006099100000000 ] - [ 0.0008030800000000, -0.0002168000000000, 0.0006099100000000 ] - [ 0.0048633500000000, -0.0001435100000000, -0.0020331200000000 ] - [ 0.0048633500000000, 0.0001435100000000, -0.0020331200000000 ] - [ 0.0002706200000000, 0.0000000000000000, 0.0000590500000000 ] - [ 0.0003609200000000, 0.0000000000000000, 0.0000064100000000 ] - [ 0.0003718100000000, 0.0000654300000000, 0.0000201600000000 ] - [ 0.0003718100000000, -0.0000654300000000, 0.0000201600000000 ] - [ -0.0003086200000000, 0.0002228200000000, -0.0023593900000000 ] - [ -0.0003086200000000, -0.0002228200000000, -0.0023593900000000 ] - [ -0.0018238600000000, 0.0000000000000000, -0.0007781700000000 ] - [ 0.0005406100000000, 0.0000000000000000, 0.0025501400000000 ] - [ -0.0011657100000000, 0.0049443500000000, 0.0042526300000000 ] - [ -0.0011657100000000, -0.0049443500000000, 0.0042526300000000 ] - [ 0.0011981700000000, 0.0000859400000000, -0.0001244600000000 ] - [ 0.0011981700000000, -0.0000859400000000, -0.0001244600000000 ] - [ 0.0012952900000000, 0.0000000000000000, -0.0000044900000000 ] - [ 0.0006907900000000, 0.0000000000000000, 0.0017963300000000 ] - [ 0.0006139200000000, -0.0004042500000000, 0.0023649400000000 ] - [ 0.0006139200000000, 0.0004042500000000, 0.0023649400000000 ] - [ 0.0021708400000000, 0.0035416400000000, 0.0047593500000000 ] - [ 0.0021708400000000, -0.0035416400000000, 0.0047593500000000 ] - [ 0.0016556900000000, 0.0000000000000000, 0.0000092300000000 ] - [ 0.0030030300000000, 0.0000000000000000, -0.0043106500000000 ] - [ 0.0003769100000000, -0.0000205900000000, -0.0002150400000000 ] - [ 0.0003769100000000, 0.0000205900000000, -0.0002150400000000 ] - [ -0.0003561900000000, -0.0000783800000000, 0.0002518100000000 ] - [ -0.0003561900000000, 0.0000783800000000, 0.0002518100000000 ] - [ -0.0004515600000000, 0.0000000000000000, 0.0004166300000000 ] - [ -0.0011346900000000, 0.0004305600000000, -0.0020198400000000 ] - [ -0.0011346900000000, -0.0004305600000000, -0.0020198400000000 ] - [ -0.0009452400000000, 0.0000000000000000, -0.0018207100000000 ] - [ 0.0565144500000000, 0.0000000000000000, 0.0054433900000000 ] - [ 0.0020360000000000, 0.0021145200000000, -0.0030856400000000 ] - [ 0.0020360000000000, -0.0021145200000000, -0.0030856400000000 ] - [ -0.0028340800000000, 0.0000000000000000, -0.0062231900000000 ] - [ -0.0006081900000000, -0.0001869100000000, -0.0007719200000000 ] - [ -0.0006081900000000, 0.0001869100000000, -0.0007719200000000 ] - [ -0.0189454700000000, 0.0000000000000000, -0.0072077800000000 ] - [ -0.0002906700000000, -0.0005748600000000, 0.0003582800000000 ] - [ -0.0002906700000000, 0.0005748600000000, 0.0003582800000000 ] - [ -0.0038208300000000, -0.0080261400000000, -0.0036692800000000 ] - [ -0.0038208300000000, 0.0080261400000000, -0.0036692800000000 ] - [ 0.0006276800000000, 0.0000000000000000, -0.0004216300000000 ] - [ -0.0001255100000000, 0.0000000000000000, 0.0001362500000000 ] - [ 0.0001816300000000, 0.0003388200000000, -0.0002610400000000 ] - [ 0.0001816300000000, -0.0003388200000000, -0.0002610400000000 ] - [ -0.0000212200000000, 0.0000000000000000, -0.0014497300000000 ] - [ -0.0005147900000000, -0.0001553300000000, -0.0004733300000000 ] - [ -0.0005147900000000, 0.0001553300000000, -0.0004733300000000 ] - [ 0.0003175700000000, -0.0000203900000000, -0.0005500200000000 ] - [ 0.0003175700000000, 0.0000203900000000, -0.0005500200000000 ] - [ 0.0004429200000000, 0.0000000000000000, -0.0004223300000000 ] - [ -0.0006537900000000, 0.0006928600000000, -0.0012707800000000 ] - [ -0.0006537900000000, -0.0006928600000000, -0.0012707800000000 ] - [ -0.0001984500000000, 0.0000000000000000, -0.0006694300000000 ] - [ 0.0007708800000000, 0.0000000000000000, -0.0084602500000000 ] - [ -0.0009526700000000, -0.0007658000000000, -0.0004106000000000 ] - [ -0.0009526700000000, 0.0007658000000000, -0.0004106000000000 ] - [ 0.0002616700000000, -0.0001270000000000, 0.0003701000000000 ] - [ 0.0002616700000000, 0.0001270000000000, 0.0003701000000000 ] - [ 0.0001032500000000, 0.0000000000000000, -0.0009127100000000 ] - [ -0.0030149300000000, 0.0006569600000000, 0.0002840400000000 ] - [ -0.0030149300000000, -0.0006569600000000, 0.0002840400000000 ] - [ -0.0006459500000000, 0.0000000000000000, 0.0002867200000000 ] - [ 0.0039442600000000, 0.0077288700000000, -0.0056289300000000 ] - [ 0.0039442600000000, -0.0077288700000000, -0.0056289300000000 ] - [ 0.0021496800000000, 0.0000000000000000, -0.0010576500000000 ] - [ 0.0002493600000000, 0.0000000000000000, 0.0014120800000000 ] - [ 0.0003186500000000, -0.0000316700000000, 0.0013865000000000 ] - [ 0.0003186500000000, 0.0000316700000000, 0.0013865000000000 ] - [ 0.0008243100000000, 0.0000000000000000, -0.0008172300000000 ] - [ 0.0008517400000000, -0.0001203700000000, -0.0008095700000000 ] - [ 0.0008517400000000, 0.0001203700000000, -0.0008095700000000 ] - [ 0.0004743500000000, 0.0001130300000000, -0.0008394700000000 ] - [ 0.0004743500000000, -0.0001130300000000, -0.0008394700000000 ] - [ -0.0000232700000000, 0.0000000000000000, -0.0001156100000000 ] - [ 0.0026143600000000, 0.0000000000000000, -0.0004582200000000 ] - [ 0.0031593100000000, -0.0007168200000000, -0.0000555600000000 ] - [ 0.0031593100000000, 0.0007168200000000, -0.0000555600000000 ] - [ -0.0004209300000000, -0.0002651600000000, 0.0015892600000000 ] - [ -0.0004209300000000, 0.0002651600000000, 0.0015892600000000 ] - [ 0.0002788500000000, 0.0000000000000000, -0.0001289200000000 ] - [ -0.0009621500000000, 0.0000000000000000, 0.0000561800000000 ] - [ -0.0009572600000000, 0.0001737000000000, 0.0000438000000000 ] - [ -0.0009572600000000, -0.0001737000000000, 0.0000438000000000 ] - [ 0.0023900000000000, 0.0029056800000000, 0.0039579300000000 ] - [ 0.0023900000000000, -0.0029056800000000, 0.0039579300000000 ] - [ 0.0011960500000000, 0.0000000000000000, 0.0020415400000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003471000000000, 0.0006055600000000, 0.0005068300000000 ] - [ -0.0000529600000000, 0.0006049900000000, -0.0002604300000000 ] - [ -0.0002014000000000, -0.0013430100000000, 0.0001197000000000 ] - [ -0.0001062700000000, 0.0020788700000000, 0.0002338600000000 ] - [ 0.0014841200000000, -0.0010610300000000, 0.0004958000000000 ] - [ -0.0016998000000000, -0.0010589300000000, -0.0000296500000000 ] - [ -0.0005772700000000, 0.0002168100000000, -0.0001792700000000 ] - [ 0.0008071300000000, 0.0002277500000000, -0.0002896600000000 ] - [ 0.0001139400000000, -0.0005092500000000, -0.0002312200000000 ] - [ 0.0002042300000000, 0.0004792900000000, -0.0001231500000000 ] - [ 0.0001620600000000, -0.0002302800000000, -0.0000862400000000 ] - [ 0.0002430100000000, -0.0002319800000000, -0.0001632300000000 ] - [ 0.0054416700000000, 0.0227290500000000, -0.0137537300000000 ] - [ -0.0059084900000000, 0.0240988800000000, 0.0156535500000000 ] - [ 0.0000898400000000, -0.0123988100000000, 0.0004510600000000 ] - [ 0.0003654600000000, 0.0006077900000000, -0.0009134900000000 ] - [ 0.0006654600000000, 0.0006379700000000, 0.0006718400000000 ] - [ 0.0005107000000000, -0.0012533000000000, -0.0001186400000000 ] - [ 0.0000505600000000, 0.0130019300000000, 0.0009608700000000 ] - [ -0.0002329500000000, -0.0047581500000000, 0.0043054800000000 ] - [ 0.0003390100000000, -0.0047646500000000, -0.0024318800000000 ] - [ 0.0005093200000000, 0.0007176000000000, -0.0004539200000000 ] - [ 0.0005031100000000, -0.0003535500000000, 0.0001174600000000 ] - [ 0.0005212300000000, -0.0003593200000000, -0.0009969600000000 ] - [ 0.0005089100000000, 0.0009852200000000, 0.0000570200000000 ] - [ 0.0008422700000000, -0.0005079200000000, -0.0007057600000000 ] - [ 0.0001766600000000, -0.0005116800000000, 0.0008057300000000 ] - [ -0.0006572800000000, 0.0007829600000000, -0.0026117500000000 ] - [ -0.0003641300000000, 0.0008131000000000, 0.0025118900000000 ] - [ -0.0005070100000000, -0.0017156400000000, -0.0000494700000000 ] - [ -0.0004020300000000, 0.0003088200000000, 0.0005588200000000 ] - [ -0.0006285500000000, 0.0003121200000000, 0.0003077800000000 ] - [ -0.0005139700000000, -0.0006268900000000, 0.0004340500000000 ] - [ 0.0013288600000000, 0.0016802000000000, 0.0021756300000000 ] - [ -0.0014654800000000, 0.0016926000000000, -0.0040264100000000 ] - [ -0.0000627400000000, -0.0031920100000000, -0.0009249000000000 ] - [ -0.0005124200000000, 0.0012734200000000, 0.0001087800000000 ] - [ -0.0015231900000000, -0.0006999700000000, -0.0013309300000000 ] - [ 0.0004991200000000, -0.0007012900000000, 0.0015497000000000 ] - [ -0.0000986000000000, 0.0093974000000000, -0.0004242800000000 ] - [ -0.0024886300000000, -0.0032960300000000, 0.0000848400000000 ] - [ 0.0022831300000000, -0.0033008100000000, -0.0009520900000000 ] - [ -0.0000740500000000, -0.0005272500000000, -0.0001636200000000 ] - [ -0.0061799000000000, 0.0018357300000000, -0.0078346300000000 ] - [ 0.0060430100000000, 0.0018228200000000, 0.0075138600000000 ] - [ -0.0005555800000000, -0.0000464000000000, 0.0003445300000000 ] - [ -0.0004224100000000, -0.0000470700000000, 0.0001754800000000 ] - [ -0.0004900900000000, 0.0000918700000000, 0.0002613100000000 ] - [ 0.0001121000000000, 0.0001243800000000, 0.0003342400000000 ] - [ 0.0002270800000000, 0.0000011600000000, 0.0001340100000000 ] - [ -0.0000018600000000, -0.0000006400000000, 0.0004712700000000 ] - [ -0.0031371000000000, 0.0006390300000000, -0.0015849900000000 ] - [ 0.0029150800000000, 0.0006442300000000, 0.0009770200000000 ] - [ -0.0001109200000000, -0.0002602700000000, -0.0002944500000000 ] - [ 0.0004925900000000, -0.0001260200000000, -0.0002696300000000 ] - [ 0.0005325400000000, 0.0000714900000000, -0.0002788600000000 ] - [ 0.0004530800000000, 0.0000745100000000, -0.0002586000000000 ] - [ 0.0041272700000000, 0.0000518900000000, 0.0008804100000000 ] - [ -0.0039969800000000, 0.0000552500000000, -0.0005911300000000 ] - [ 0.0000633700000000, 0.0003965200000000, 0.0001495800000000 ] - [ -0.0007576000000000, -0.0095533900000000, -0.0006586100000000 ] - [ -0.0013494400000000, 0.0153648100000000, 0.0104528200000000 ] - [ -0.0001712300000000, 0.0152709400000000, -0.0117454200000000 ] - [ 0.0011991200000000, -0.0002288900000000, -0.0001781900000000 ] - [ 0.0013228300000000, -0.0002287300000000, 0.0001488100000000 ] - [ 0.0012622000000000, 0.0004459600000000, -0.0000163000000000 ] - [ 0.0001008000000000, 0.0001895000000000, 0.0005075500000000 ] - [ 0.0005564500000000, -0.0008248400000000, 0.0050728000000000 ] - [ -0.0003573100000000, -0.0008184800000000, -0.0040610700000000 ] - [ -0.0025475900000000, 0.0031265200000000, 0.0062299100000000 ] - [ 0.0020946800000000, 0.0031398900000000, -0.0059252200000000 ] - [ -0.0002442000000000, 0.0025512300000000, 0.0001874400000000 ] - [ 0.0001866800000000, -0.0003824600000000, 0.0000317700000000 ] - [ 0.0006906400000000, 0.0004890100000000, -0.0010635800000000 ] - [ -0.0002509200000000, 0.0004964100000000, 0.0010368900000000 ] - [ -0.0003859300000000, -0.0001524600000000, 0.0005437400000000 ] - [ -0.0006750000000000, -0.0001579500000000, 0.0006513600000000 ] - [ -0.0005307300000000, 0.0002833500000000, 0.0005962200000000 ] - [ -0.0004025800000000, -0.0002422300000000, -0.0016041000000000 ] - [ -0.0006989000000000, -0.0002443900000000, -0.0015056200000000 ] - [ -0.0005504400000000, 0.0004732700000000, -0.0015552200000000 ] - [ -0.0000150300000000, -0.0949260900000000, -0.0004517700000000 ] - [ 0.0013370900000000, 0.0049118000000000, -0.0028690400000000 ] - [ -0.0029800400000000, 0.0049180900000000, 0.0040974300000000 ] - [ 0.0001642100000000, -0.0004373800000000, -0.0005186900000000 ] - [ -0.0002298300000000, 0.0001672400000000, 0.0000018400000000 ] - [ 0.0005706000000000, 0.0001686400000000, -0.0010071100000000 ] - [ -0.0003498800000000, 0.0001717800000000, 0.0004737600000000 ] - [ -0.0000564000000000, 0.0002828300000000, 0.0007362700000000 ] - [ -0.0005363200000000, 0.0002861300000000, 0.0002566900000000 ] - [ 0.0061103400000000, 0.0049333400000000, 0.0052347800000000 ] - [ -0.0051613500000000, 0.0049725900000000, -0.0050515600000000 ] - [ 0.0005313700000000, 0.0016968000000000, 0.0001273800000000 ] - [ 0.0003918300000000, -0.0006057500000000, 0.0004040500000000 ] - [ -0.0005358200000000, 0.0007834700000000, -0.0006303200000000 ] - [ 0.0012121500000000, 0.0007879600000000, 0.0013919500000000 ] - [ -0.0004489200000000, -0.0004456000000000, 0.0000139800000000 ] - [ -0.0007133200000000, 0.0002370300000000, 0.0000348200000000 ] - [ -0.0001923400000000, 0.0002387500000000, -0.0000086200000000 ] - [ 0.0000031900000000, -0.0002296300000000, 0.0005103200000000 ] - [ 0.0009046100000000, -0.0002365900000000, -0.0005253100000000 ] - [ 0.0004544400000000, 0.0005565300000000, -0.0000093600000000 ] - [ -0.0010592500000000, -0.0001956300000000, -0.0007068400000000 ] - [ 0.0003797000000000, -0.0002000600000000, -0.0000539100000000 ] - [ -0.0003405500000000, 0.0004943300000000, -0.0003798800000000 ] - [ -0.0005257000000000, -0.0010184000000000, -0.0001586600000000 ] - [ -0.0006209600000000, 0.0008882100000000, 0.0005984500000000 ] - [ -0.0004382900000000, 0.0008871800000000, -0.0008690500000000 ] - [ 0.0056409700000000, -0.0024016400000000, 0.0035136900000000 ] - [ -0.0050743300000000, -0.0024125200000000, -0.0045398700000000 ] - [ 0.0002953600000000, 0.0013155700000000, -0.0005044600000000 ] - [ 0.0032285200000000, -0.0003684100000000, 0.0033193000000000 ] - [ -0.0035916300000000, -0.0003725400000000, -0.0023196000000000 ] - [ -0.0001749300000000, 0.0003460700000000, 0.0004993300000000 ] - [ -0.0068880200000000, 0.0005390900000000, -0.0033284300000000 ] - [ 0.0085736300000000, 0.0005429200000000, 0.0021595000000000 ] - [ 0.0008210500000000, 0.0016369300000000, -0.0006108200000000 ] - [ 0.0005520900000000, -0.0007296000000000, 0.0015600400000000 ] - [ 0.0005436300000000, 0.0003481500000000, 0.0016148200000000 ] - [ 0.0005601700000000, 0.0003550300000000, 0.0015071200000000 ] - [ 0.0005300900000000, -0.0001818400000000, -0.0005891800000000 ] - [ 0.0009162000000000, 0.0000873200000000, -0.0004765500000000 ] - [ 0.0001429100000000, 0.0000873500000000, -0.0007030700000000 ] - [ 0.0001168200000000, -0.0004840900000000, -0.0008038200000000 ] - [ -0.0005472900000000, -0.0004840600000000, 0.0008321000000000 ] - [ -0.0002159000000000, 0.0009635200000000, 0.0000139800000000 ] - [ 0.0002554200000000, -0.0013543200000000, -0.0001873900000000 ] - [ 0.0041139000000000, 0.0005429200000000, 0.0008082100000000 ] - [ -0.0036067500000000, 0.0005452900000000, -0.0011804500000000 ] - [ -0.0014969200000000, -0.0003544400000000, 0.0004215000000000 ] - [ 0.0013010500000000, -0.0003600500000000, -0.0014149600000000 ] - [ -0.0000987800000000, 0.0000599400000000, -0.0004965200000000 ] - [ -0.0012658700000000, -0.0002658200000000, 0.0000222800000000 ] - [ -0.0014018900000000, 0.0001517900000000, 0.0002040400000000 ] - [ -0.0011312800000000, 0.0001566000000000, -0.0001605100000000 ] - [ 0.0004446000000000, -0.0011848300000000, -0.0009730700000000 ] - [ 0.0010623900000000, -0.0011963500000000, 0.0023321400000000 ] - [ 0.0007509700000000, 0.0012083800000000, 0.0006737000000000 ]- atom: 82 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0001525600000000, -0.0000403000000000, -0.0008934400000000 ] - [ 0.0001525600000000, 0.0000403000000000, -0.0008934400000000 ] - [ 0.0001346700000000, 0.0000000000000000, -0.0010724100000000 ] - [ 0.0014436100000000, 0.0000000000000000, 0.0004079400000000 ] - [ 0.0011807400000000, -0.0002831700000000, 0.0006295100000000 ] - [ 0.0011807400000000, 0.0002831700000000, 0.0006295100000000 ] - [ 0.0004170300000000, -0.0003306700000000, 0.0004256900000000 ] - [ 0.0004170300000000, 0.0003306700000000, 0.0004256900000000 ] - [ 0.0000494000000000, 0.0000000000000000, 0.0001770500000000 ] - [ 0.0004847900000000, 0.0000000000000000, -0.0000785200000000 ] - [ 0.0002531200000000, 0.0004380600000000, 0.0000464100000000 ] - [ 0.0002531200000000, -0.0004380600000000, 0.0000464100000000 ] - [ -0.0085757800000000, -0.0116466400000000, 0.0251424300000000 ] - [ -0.0085757800000000, 0.0116466400000000, 0.0251424300000000 ] - [ -0.0006447300000000, 0.0000000000000000, 0.0039699900000000 ] - [ 0.0021891900000000, -0.0041535800000000, -0.0022752000000000 ] - [ 0.0021891900000000, 0.0041535800000000, -0.0022752000000000 ] - [ 0.0009993000000000, 0.0000000000000000, -0.0006256200000000 ] - [ 0.0009934900000000, 0.0000000000000000, 0.0349681100000000 ] - [ -0.0007942700000000, 0.0050858600000000, 0.0059923400000000 ] - [ -0.0007942700000000, -0.0050858600000000, 0.0059923400000000 ] - [ -0.0007103600000000, 0.0000000000000000, -0.0061300500000000 ] - [ 0.0001833400000000, 0.0008430000000000, -0.0016566800000000 ] - [ 0.0001833400000000, -0.0008430000000000, -0.0016566800000000 ] - [ 0.0009333000000000, 0.0000000000000000, -0.0014972900000000 ] - [ 0.0008574500000000, 0.0002778300000000, -0.0017155300000000 ] - [ 0.0008574500000000, -0.0002778300000000, -0.0017155300000000 ] - [ -0.0021619200000000, -0.0046413500000000, 0.0005553700000000 ] - [ -0.0021619200000000, 0.0046413500000000, 0.0005553700000000 ] - [ -0.0005570500000000, 0.0000000000000000, 0.0009995800000000 ] - [ -0.0011314700000000, -0.0003966900000000, -0.0015140400000000 ] - [ -0.0011314700000000, 0.0003966900000000, -0.0015140400000000 ] - [ -0.0008049500000000, 0.0000000000000000, -0.0010832500000000 ] - [ -0.0025869600000000, -0.0003899700000000, -0.0031200800000000 ] - [ -0.0025869600000000, 0.0003899700000000, -0.0031200800000000 ] - [ -0.0014825700000000, 0.0000000000000000, -0.0020792100000000 ] - [ -0.0010148700000000, 0.0000000000000000, -0.0030213400000000 ] - [ -0.0012538100000000, 0.0001787300000000, -0.0027674800000000 ] - [ -0.0012538100000000, -0.0001787300000000, -0.0027674800000000 ] - [ -0.0033136100000000, 0.0000000000000000, 0.0073595300000000 ] - [ -0.0022457700000000, 0.0001604400000000, 0.0018851600000000 ] - [ -0.0022457700000000, -0.0001604400000000, 0.0018851600000000 ] - [ -0.0033048800000000, 0.0000000000000000, -0.0056624000000000 ] - [ -0.0042697900000000, 0.0010897900000000, -0.0059037100000000 ] - [ -0.0042697900000000, -0.0010897900000000, -0.0059037100000000 ] - [ 0.0000297400000000, 0.0000583900000000, -0.0018169600000000 ] - [ 0.0000297400000000, -0.0000583900000000, -0.0018169600000000 ] - [ -0.0001133100000000, 0.0000000000000000, -0.0012411800000000 ] - [ 0.0004563800000000, 0.0000000000000000, 0.0015781200000000 ] - [ -0.0003795500000000, 0.0000609900000000, 0.0006149500000000 ] - [ -0.0003795500000000, -0.0000609900000000, 0.0006149500000000 ] - [ -0.0022672900000000, 0.0010864900000000, 0.0065678200000000 ] - [ -0.0022672900000000, -0.0010864900000000, 0.0065678200000000 ] - [ -0.0000766600000000, 0.0000000000000000, 0.0019623400000000 ] - [ 0.0009533700000000, 0.0000000000000000, -0.0021713800000000 ] - [ 0.0010493000000000, -0.0004143000000000, -0.0017081600000000 ] - [ 0.0010493000000000, 0.0004143000000000, -0.0017081600000000 ] - [ 0.0066739000000000, 0.0004770200000000, 0.0023547800000000 ] - [ 0.0066739000000000, -0.0004770200000000, 0.0023547800000000 ] - [ 0.0004265500000000, 0.0000000000000000, 0.0018413100000000 ] - [ -0.0007473100000000, 0.0000000000000000, 0.0051659200000000 ] - [ -0.0010681500000000, 0.0079095000000000, 0.0075728600000000 ] - [ -0.0010681500000000, -0.0079095000000000, 0.0075728600000000 ] - [ 0.0005727800000000, -0.0000022900000000, 0.0014738100000000 ] - [ 0.0005727800000000, 0.0000022900000000, 0.0014738100000000 ] - [ 0.0008066700000000, 0.0000000000000000, 0.0009778100000000 ] - [ 0.0004292100000000, 0.0000000000000000, 0.0044807500000000 ] - [ 0.0005384600000000, -0.0006338900000000, 0.0046330100000000 ] - [ 0.0005384600000000, 0.0006338900000000, 0.0046330100000000 ] - [ -0.0047317700000000, 0.0083759600000000, 0.0035929400000000 ] - [ -0.0047317700000000, -0.0083759600000000, 0.0035929400000000 ] - [ -0.0006020300000000, 0.0000000000000000, -0.0013407100000000 ] - [ -0.0077540400000000, 0.0000000000000000, 0.0114363400000000 ] - [ 0.0012414000000000, -0.0013765800000000, -0.0003579000000000 ] - [ 0.0012414000000000, 0.0013765800000000, -0.0003579000000000 ] - [ -0.0009288300000000, 0.0007524100000000, 0.0021640900000000 ] - [ -0.0009288300000000, -0.0007524100000000, 0.0021640900000000 ] - [ -0.0010505800000000, 0.0000000000000000, 0.0017678200000000 ] - [ -0.0003545400000000, 0.0000923000000000, -0.0002657800000000 ] - [ -0.0003545400000000, -0.0000923000000000, -0.0002657800000000 ] - [ -0.0004933100000000, 0.0000000000000000, -0.0005834200000000 ] - [ 0.0099450100000000, 0.0000000000000000, -0.1041280800000000 ] - [ 0.0035908800000000, 0.0039151100000000, -0.0086788600000000 ] - [ 0.0035908800000000, -0.0039151100000000, -0.0086788600000000 ] - [ -0.0006134100000000, 0.0000000000000000, -0.0002703000000000 ] - [ -0.0000644100000000, -0.0000418700000000, 0.0001720400000000 ] - [ -0.0000644100000000, 0.0000418700000000, 0.0001720400000000 ] - [ -0.0025988900000000, 0.0000000000000000, -0.0000781800000000 ] - [ 0.0001238200000000, -0.0001390500000000, 0.0001450900000000 ] - [ 0.0001238200000000, 0.0001390500000000, 0.0001450900000000 ] - [ 0.0054153500000000, 0.0043612700000000, -0.0049661000000000 ] - [ 0.0054153500000000, -0.0043612700000000, -0.0049661000000000 ] - [ 0.0010944600000000, 0.0000000000000000, -0.0024718500000000 ] - [ 0.0150235300000000, 0.0000000000000000, 0.0076750200000000 ] - [ -0.0006021400000000, -0.0008732700000000, 0.0004399700000000 ] - [ -0.0006021400000000, 0.0008732700000000, 0.0004399700000000 ] - [ 0.0003030200000000, 0.0000000000000000, 0.0021182400000000 ] - [ -0.0004868000000000, -0.0002261400000000, 0.0012637800000000 ] - [ -0.0004868000000000, 0.0002261400000000, 0.0012637800000000 ] - [ 0.0009570100000000, 0.0011242900000000, 0.0012592200000000 ] - [ 0.0009570100000000, -0.0011242900000000, 0.0012592200000000 ] - [ 0.0010172400000000, 0.0000000000000000, 0.0005898000000000 ] - [ 0.0000030400000000, 0.0002795700000000, 0.0007009600000000 ] - [ 0.0000030400000000, -0.0002795700000000, 0.0007009600000000 ] - [ -0.0000316500000000, 0.0000000000000000, 0.0006365800000000 ] - [ -0.0004207300000000, 0.0000000000000000, -0.0028086600000000 ] - [ 0.0001542800000000, 0.0003310600000000, -0.0001444300000000 ] - [ 0.0001542800000000, -0.0003310600000000, -0.0001444300000000 ] - [ -0.0036922100000000, 0.0012391700000000, -0.0062423600000000 ] - [ -0.0036922100000000, -0.0012391700000000, -0.0062423600000000 ] - [ -0.0000961500000000, 0.0000000000000000, -0.0026121600000000 ] - [ -0.0003027700000000, -0.0001829100000000, -0.0024404200000000 ] - [ -0.0003027700000000, 0.0001829100000000, -0.0024404200000000 ] - [ -0.0006539400000000, 0.0000000000000000, -0.0010025400000000 ] - [ 0.0064529100000000, -0.0008497600000000, -0.0006349200000000 ] - [ 0.0064529100000000, 0.0008497600000000, -0.0006349200000000 ] - [ 0.0015697900000000, 0.0000000000000000, -0.0006494500000000 ] - [ 0.0013491900000000, 0.0000000000000000, 0.0026040000000000 ] - [ 0.0010010900000000, -0.0009828200000000, 0.0026371800000000 ] - [ 0.0010010900000000, 0.0009828200000000, 0.0026371800000000 ] - [ 0.0004184400000000, 0.0000000000000000, 0.0009155600000000 ] - [ 0.0005119100000000, 0.0000160100000000, 0.0007301100000000 ] - [ 0.0005119100000000, -0.0000160100000000, 0.0007301100000000 ] - [ 0.0000309700000000, 0.0000694800000000, 0.0012103600000000 ] - [ 0.0000309700000000, -0.0000694800000000, 0.0012103600000000 ] - [ -0.0000151900000000, 0.0000000000000000, 0.0010402400000000 ] - [ 0.0025559600000000, 0.0000000000000000, 0.0015332700000000 ] - [ 0.0028073800000000, -0.0000149600000000, 0.0006730900000000 ] - [ 0.0028073800000000, 0.0000149600000000, 0.0006730900000000 ] - [ -0.0017922500000000, -0.0000465900000000, -0.0003396400000000 ] - [ -0.0017922500000000, 0.0000465900000000, -0.0003396400000000 ] - [ 0.0002146200000000, 0.0000000000000000, -0.0015774800000000 ] - [ -0.0019948400000000, 0.0000000000000000, 0.0013188800000000 ] - [ -0.0023681700000000, -0.0007731600000000, 0.0010220400000000 ] - [ -0.0023681700000000, 0.0007731600000000, 0.0010220400000000 ] - [ -0.0008924100000000, -0.0008780100000000, -0.0026248100000000 ] - [ -0.0008924100000000, 0.0008780100000000, -0.0026248100000000 ] - [ 0.0006200100000000, 0.0000000000000000, -0.0010157000000000 ]- atom: 82 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0005557300000000, 0.0000444000000000, 0.0011501300000000 ] - [ -0.0005557300000000, -0.0000444000000000, 0.0011501300000000 ] - [ -0.0005377600000000, 0.0000000000000000, 0.0013359000000000 ] - [ -0.0016528000000000, 0.0000000000000000, 0.0000704700000000 ] - [ -0.0014121500000000, 0.0002842000000000, -0.0001704500000000 ] - [ -0.0014121500000000, -0.0002842000000000, -0.0001704500000000 ] - [ -0.0001876000000000, 0.0003152100000000, -0.0009030600000000 ] - [ -0.0001876000000000, -0.0003152100000000, -0.0009030600000000 ] - [ 0.0001778700000000, 0.0000000000000000, -0.0006480100000000 ] - [ -0.0000844700000000, 0.0000000000000000, -0.0001805600000000 ] - [ 0.0001490300000000, -0.0004391200000000, -0.0003019900000000 ] - [ 0.0001490300000000, 0.0004391200000000, -0.0003019900000000 ] - [ 0.0084246000000000, 0.0108791100000000, -0.0239864400000000 ] - [ 0.0084246000000000, -0.0108791100000000, -0.0239864400000000 ] - [ 0.0008529100000000, 0.0000000000000000, -0.0031418400000000 ] - [ -0.0011776500000000, 0.0041692900000000, 0.0020461800000000 ] - [ -0.0011776500000000, -0.0041692900000000, 0.0020461800000000 ] - [ 0.0000174400000000, 0.0000000000000000, 0.0003956200000000 ] - [ -0.0015304200000000, 0.0000000000000000, -0.0358381300000000 ] - [ 0.0009335200000000, -0.0051005200000000, -0.0041656700000000 ] - [ 0.0009335200000000, 0.0051005200000000, -0.0041656700000000 ] - [ 0.0017419400000000, 0.0000000000000000, 0.0052999100000000 ] - [ 0.0008447500000000, -0.0008476900000000, 0.0007927700000000 ] - [ 0.0008447500000000, 0.0008476900000000, 0.0007927700000000 ] - [ 0.0000811300000000, 0.0000000000000000, 0.0016372300000000 ] - [ 0.0001569400000000, -0.0002758200000000, 0.0018358100000000 ] - [ 0.0001569400000000, 0.0002758200000000, 0.0018358100000000 ] - [ 0.0011571400000000, 0.0046701200000000, -0.0006759900000000 ] - [ 0.0011571400000000, -0.0046701200000000, -0.0006759900000000 ] - [ -0.0004577300000000, 0.0000000000000000, -0.0011112000000000 ] - [ 0.0001068400000000, 0.0003978700000000, 0.0024057600000000 ] - [ 0.0001068400000000, -0.0003978700000000, 0.0024057600000000 ] - [ -0.0002197100000000, 0.0000000000000000, 0.0019697400000000 ] - [ 0.0024693200000000, 0.0003882400000000, 0.0013096600000000 ] - [ 0.0024693200000000, -0.0003882400000000, 0.0013096600000000 ] - [ 0.0013784800000000, 0.0000000000000000, 0.0002384100000000 ] - [ -0.0000106900000000, 0.0000000000000000, 0.0032649800000000 ] - [ 0.0002376700000000, -0.0001796900000000, 0.0030211400000000 ] - [ 0.0002376700000000, 0.0001796900000000, 0.0030211400000000 ] - [ 0.0031711500000000, 0.0000000000000000, -0.0082504600000000 ] - [ 0.0020495300000000, -0.0001389600000000, -0.0027786500000000 ] - [ 0.0020495300000000, 0.0001389600000000, -0.0027786500000000 ] - [ 0.0031544800000000, 0.0000000000000000, 0.0053603600000000 ] - [ 0.0041691500000000, -0.0010973300000000, 0.0056507400000000 ] - [ 0.0041691500000000, 0.0010973300000000, 0.0056507400000000 ] - [ -0.0010128900000000, -0.0000581600000000, 0.0023621000000000 ] - [ -0.0010128900000000, 0.0000581600000000, 0.0023621000000000 ] - [ -0.0008708900000000, 0.0000000000000000, 0.0017826600000000 ] - [ -0.0002371600000000, 0.0000000000000000, -0.0008800300000000 ] - [ 0.0006096700000000, -0.0000583900000000, -0.0000136800000000 ] - [ 0.0006096700000000, 0.0000583900000000, -0.0000136800000000 ] - [ 0.0020389800000000, -0.0011006100000000, -0.0071857800000000 ] - [ 0.0020389800000000, 0.0011006100000000, -0.0071857800000000 ] - [ -0.0001456300000000, 0.0000000000000000, -0.0025759300000000 ] - [ 0.0000266400000000, 0.0000000000000000, 0.0016541500000000 ] - [ -0.0000693500000000, 0.0004168500000000, 0.0011890700000000 ] - [ -0.0000693500000000, -0.0004168500000000, 0.0011890700000000 ] - [ -0.0066070700000000, -0.0004905800000000, -0.0020927900000000 ] - [ -0.0066070700000000, 0.0004905800000000, -0.0020927900000000 ] - [ -0.0003095800000000, 0.0000000000000000, -0.0015578500000000 ] - [ -0.0008271900000000, 0.0000000000000000, -0.0064186300000000 ] - [ -0.0004379400000000, -0.0079605400000000, -0.0089486400000000 ] - [ -0.0004379400000000, 0.0079605400000000, -0.0089486400000000 ] - [ 0.0019587700000000, 0.0000013100000000, -0.0015191600000000 ] - [ 0.0019587700000000, -0.0000013100000000, -0.0015191600000000 ] - [ 0.0017250000000000, 0.0000000000000000, -0.0010222400000000 ] - [ -0.0002241100000000, 0.0000000000000000, -0.0034781100000000 ] - [ -0.0003422900000000, 0.0006390900000000, -0.0036671600000000 ] - [ -0.0003422900000000, -0.0006390900000000, -0.0036671600000000 ] - [ 0.0043071700000000, -0.0085023600000000, -0.0032698400000000 ] - [ 0.0043071700000000, 0.0085023600000000, -0.0032698400000000 ] - [ 0.0001143400000000, 0.0000000000000000, 0.0017200500000000 ] - [ 0.0082410600000000, 0.0000000000000000, -0.0115095600000000 ] - [ -0.0008120400000000, 0.0013841400000000, 0.0003360400000000 ] - [ -0.0008120400000000, -0.0013841400000000, 0.0003360400000000 ] - [ -0.0001275400000000, -0.0007568800000000, -0.0009856500000000 ] - [ -0.0001275400000000, 0.0007568800000000, -0.0009856500000000 ] - [ -0.0000058100000000, 0.0000000000000000, -0.0005882700000000 ] - [ -0.0007509200000000, -0.0000905700000000, -0.0028587200000000 ] - [ -0.0007509200000000, 0.0000905700000000, -0.0028587200000000 ] - [ -0.0006085600000000, 0.0000000000000000, -0.0025389100000000 ] - [ -0.0101627400000000, 0.0000000000000000, 0.1076001000000000 ] - [ -0.0051966200000000, -0.0038726100000000, 0.0098908300000000 ] - [ -0.0051966200000000, 0.0038726100000000, 0.0098908300000000 ] - [ 0.0009386000000000, 0.0000000000000000, -0.0007925200000000 ] - [ 0.0004071800000000, 0.0000404900000000, -0.0011854000000000 ] - [ 0.0004071800000000, -0.0000404900000000, -0.0011854000000000 ] - [ 0.0018588700000000, 0.0000000000000000, 0.0010053600000000 ] - [ -0.0007156100000000, 0.0001344700000000, 0.0008545900000000 ] - [ -0.0007156100000000, -0.0001344700000000, 0.0008545900000000 ] - [ -0.0043716700000000, -0.0043379700000000, 0.0052850100000000 ] - [ -0.0043716700000000, 0.0043379700000000, 0.0052850100000000 ] - [ -0.0000395400000000, 0.0000000000000000, 0.0027567100000000 ] - [ -0.0144812000000000, 0.0000000000000000, -0.0069697700000000 ] - [ 0.0012873100000000, 0.0008772300000000, 0.0003235000000000 ] - [ 0.0012873100000000, -0.0008772300000000, 0.0003235000000000 ] - [ -0.0012081800000000, 0.0000000000000000, -0.0021185100000000 ] - [ -0.0004182600000000, 0.0002270700000000, -0.0012524400000000 ] - [ -0.0004182600000000, -0.0002270700000000, -0.0012524400000000 ] - [ -0.0000555400000000, -0.0011308800000000, -0.0012900200000000 ] - [ -0.0000555400000000, 0.0011308800000000, -0.0012900200000000 ] - [ -0.0001153000000000, 0.0000000000000000, -0.0006157200000000 ] - [ -0.0006887000000000, -0.0002760900000000, -0.0014761500000000 ] - [ -0.0006887000000000, 0.0002760900000000, -0.0014761500000000 ] - [ -0.0006524400000000, 0.0000000000000000, -0.0014079200000000 ] - [ -0.0006231500000000, 0.0000000000000000, 0.0024995100000000 ] - [ -0.0012222800000000, -0.0003324300000000, -0.0001219400000000 ] - [ -0.0012222800000000, 0.0003324300000000, -0.0001219400000000 ] - [ 0.0042818400000000, -0.0012284200000000, 0.0052752900000000 ] - [ 0.0042818400000000, 0.0012284200000000, 0.0052752900000000 ] - [ 0.0006897300000000, 0.0000000000000000, 0.0016267700000000 ] - [ -0.0000323700000000, 0.0001867100000000, 0.0034735400000000 ] - [ -0.0000323700000000, -0.0001867100000000, 0.0034735400000000 ] - [ 0.0003111900000000, 0.0000000000000000, 0.0020200900000000 ] - [ -0.0048213600000000, 0.0008437500000000, -0.0006210500000000 ] - [ -0.0048213600000000, -0.0008437500000000, -0.0006210500000000 ] - [ 0.0000649200000000, 0.0000000000000000, -0.0005682600000000 ] - [ -0.0002586000000000, 0.0000000000000000, 0.0005020400000000 ] - [ 0.0000944400000000, 0.0009897100000000, 0.0004690200000000 ] - [ 0.0000944400000000, -0.0009897100000000, 0.0004690200000000 ] - [ 0.0006459300000000, 0.0000000000000000, -0.0021120700000000 ] - [ 0.0005485200000000, -0.0000164400000000, -0.0019273600000000 ] - [ 0.0005485200000000, 0.0000164400000000, -0.0019273600000000 ] - [ -0.0004614500000000, -0.0000730900000000, -0.0012003000000000 ] - [ -0.0004614500000000, 0.0000730900000000, -0.0012003000000000 ] - [ -0.0004196500000000, 0.0000000000000000, -0.0010253300000000 ] - [ -0.0020454600000000, 0.0000000000000000, -0.0018958800000000 ] - [ -0.0023258700000000, 0.0000124800000000, -0.0010564600000000 ] - [ -0.0023258700000000, -0.0000124800000000, -0.0010564600000000 ] - [ 0.0016048500000000, 0.0000530700000000, -0.0006456400000000 ] - [ 0.0016048500000000, -0.0000530700000000, -0.0006456400000000 ] - [ -0.0004135900000000, 0.0000000000000000, 0.0005922900000000 ] - [ -0.0005283200000000, 0.0000000000000000, -0.0012870200000000 ] - [ -0.0001548700000000, 0.0007768500000000, -0.0009912000000000 ] - [ -0.0001548700000000, -0.0007768500000000, -0.0009912000000000 ] - [ 0.0024177800000000, 0.0009092400000000, 0.0040297800000000 ] - [ 0.0024177800000000, -0.0009092400000000, 0.0040297800000000 ] - [ 0.0008845600000000, 0.0000000000000000, 0.0023816800000000 ]- atom: 85 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0011144100000000, 0.0006231900000000, -0.0009328600000000 ] - [ -0.0011144100000000, -0.0006231900000000, -0.0009328600000000 ] - [ -0.0003565000000000, 0.0000000000000000, 0.0001156400000000 ] - [ 0.0158370500000000, 0.0000000000000000, -0.0066309600000000 ] - [ -0.0002697800000000, -0.0011299200000000, 0.0006118100000000 ] - [ -0.0002697800000000, 0.0011299200000000, 0.0006118100000000 ] - [ 0.0014295000000000, -0.0018881600000000, -0.0009988000000000 ] - [ 0.0014295000000000, 0.0018881600000000, -0.0009988000000000 ] - [ 0.0003672400000000, 0.0000000000000000, -0.0002543900000000 ] - [ 0.0002592200000000, 0.0000000000000000, -0.0004807200000000 ] - [ 0.0002834900000000, 0.0000744400000000, -0.0003575500000000 ] - [ 0.0002834900000000, -0.0000744400000000, -0.0003575500000000 ] - [ -0.0047880400000000, 0.0010377100000000, 0.0016740700000000 ] - [ -0.0047880400000000, -0.0010377100000000, 0.0016740700000000 ] - [ -0.0008097100000000, 0.0000000000000000, 0.0002832300000000 ] - [ 0.0000266100000000, 0.0001392300000000, -0.0007470500000000 ] - [ 0.0000266100000000, -0.0001392300000000, -0.0007470500000000 ] - [ 0.0002852500000000, 0.0000000000000000, -0.0004242100000000 ] - [ -0.0010949900000000, 0.0000000000000000, 0.0000894900000000 ] - [ -0.0005529100000000, 0.0000215100000000, 0.0007737800000000 ] - [ -0.0005529100000000, -0.0000215100000000, 0.0007737800000000 ] - [ -0.0005552500000000, 0.0000000000000000, -0.0022982300000000 ] - [ 0.0003390500000000, -0.0002947500000000, -0.0007347900000000 ] - [ 0.0003390500000000, 0.0002947500000000, -0.0007347900000000 ] - [ 0.0130293100000000, 0.0000000000000000, -0.0138764200000000 ] - [ 0.0009640900000000, -0.0013320200000000, -0.0008307300000000 ] - [ 0.0009640900000000, 0.0013320200000000, -0.0008307300000000 ] - [ -0.0002169000000000, 0.0001010300000000, -0.0004097200000000 ] - [ -0.0002169000000000, -0.0001010300000000, -0.0004097200000000 ] - [ -0.0003804600000000, 0.0000000000000000, -0.0002747500000000 ] - [ 0.0008062700000000, 0.0012689400000000, 0.0006189300000000 ] - [ 0.0008062700000000, -0.0012689400000000, 0.0006189300000000 ] - [ -0.0001884500000000, 0.0000000000000000, 0.0004658100000000 ] - [ -0.0054284700000000, -0.0076166400000000, 0.0053451700000000 ] - [ -0.0054284700000000, 0.0076166400000000, 0.0053451700000000 ] - [ 0.0007439400000000, 0.0000000000000000, 0.0001214100000000 ] - [ -0.0015975900000000, 0.0000000000000000, -0.0004748800000000 ] - [ -0.0008042900000000, 0.0001242400000000, 0.0003807400000000 ] - [ -0.0008042900000000, -0.0001242400000000, 0.0003807400000000 ] - [ -0.0108972200000000, 0.0000000000000000, -0.0092650200000000 ] - [ -0.0001677700000000, 0.0019912200000000, -0.0007844400000000 ] - [ -0.0001677700000000, -0.0019912200000000, -0.0007844400000000 ] - [ -0.0045025400000000, 0.0000000000000000, -0.0023785000000000 ] - [ -0.0020382900000000, -0.0004815800000000, -0.0001099800000000 ] - [ -0.0020382900000000, 0.0004815800000000, -0.0001099800000000 ] - [ -0.0013237800000000, 0.0002584800000000, -0.0003055700000000 ] - [ -0.0013237800000000, -0.0002584800000000, -0.0003055700000000 ] - [ -0.0008185100000000, 0.0000000000000000, 0.0000111800000000 ] - [ 0.2222105600000000, 0.0000000000000000, 0.1182320800000000 ] - [ 0.0024819200000000, 0.0002117600000000, 0.0017206800000000 ] - [ 0.0024819200000000, -0.0002117600000000, 0.0017206800000000 ] - [ 0.0004050800000000, -0.0001936900000000, 0.0022313000000000 ] - [ 0.0004050800000000, 0.0001936900000000, 0.0022313000000000 ] - [ -0.0001326300000000, 0.0000000000000000, -0.0000781300000000 ] - [ 0.0006613100000000, 0.0000000000000000, -0.0006100600000000 ] - [ 0.0006476200000000, 0.0000554100000000, -0.0004807300000000 ] - [ 0.0006476200000000, -0.0000554100000000, -0.0004807300000000 ] - [ -0.0011248800000000, 0.0001689500000000, -0.0016733600000000 ] - [ -0.0011248800000000, -0.0001689500000000, -0.0016733600000000 ] - [ -0.0005691100000000, 0.0000000000000000, -0.0005933300000000 ] - [ 0.0057597300000000, 0.0000000000000000, -0.0007374600000000 ] - [ 0.0003813400000000, 0.0005243700000000, -0.0003563000000000 ] - [ 0.0003813400000000, -0.0005243700000000, -0.0003563000000000 ] - [ 0.0018109100000000, -0.0000783200000000, 0.0002088600000000 ] - [ 0.0018109100000000, 0.0000783200000000, 0.0002088600000000 ] - [ 0.0016486700000000, 0.0000000000000000, 0.0000447300000000 ] - [ 0.0019224000000000, 0.0000000000000000, 0.0016074100000000 ] - [ 0.0007410700000000, 0.0003002600000000, 0.0002746400000000 ] - [ 0.0007410700000000, -0.0003002600000000, 0.0002746400000000 ] - [ 0.0008354000000000, -0.0000045000000000, 0.0005647500000000 ] - [ 0.0008354000000000, 0.0000045000000000, 0.0005647500000000 ] - [ 0.0002621200000000, 0.0000000000000000, 0.0002846300000000 ] - [ 0.0007923900000000, 0.0000000000000000, 0.0004408800000000 ] - [ 0.0003597600000000, 0.0000059100000000, 0.0001880100000000 ] - [ 0.0003597600000000, -0.0000059100000000, 0.0001880100000000 ] - [ -0.0002740800000000, -0.0001466700000000, 0.0009962900000000 ] - [ -0.0002740800000000, 0.0001466700000000, 0.0009962900000000 ] - [ -0.0003473000000000, 0.0000000000000000, 0.0006533800000000 ] - [ -0.0002738600000000, 0.0007331000000000, -0.0012539300000000 ] - [ -0.0002738600000000, -0.0007331000000000, -0.0012539300000000 ] - [ -0.0002969500000000, 0.0000000000000000, -0.0012818500000000 ] - [ 0.0022861700000000, 0.0000000000000000, 0.0005625700000000 ] - [ -0.0000291900000000, 0.0003972300000000, 0.0005628200000000 ] - [ -0.0000291900000000, -0.0003972300000000, 0.0005628200000000 ] - [ -0.3080284500000000, 0.0000000000000000, -0.1317753800000000 ] - [ -0.0016147200000000, 0.0012096700000000, -0.0011692900000000 ] - [ -0.0016147200000000, -0.0012096700000000, -0.0011692900000000 ] - [ 0.0052656900000000, 0.0000000000000000, 0.0302858700000000 ] - [ -0.0009669200000000, -0.0004500100000000, -0.0002468200000000 ] - [ -0.0009669200000000, 0.0004500100000000, -0.0002468200000000 ] - [ 0.0014562600000000, 0.0002618200000000, -0.0008051600000000 ] - [ 0.0014562600000000, -0.0002618200000000, -0.0008051600000000 ] - [ 0.0007012300000000, 0.0000000000000000, 0.0000540800000000 ] - [ 0.0001670000000000, 0.0000000000000000, 0.0008247400000000 ] - [ 0.0003963100000000, 0.0000728400000000, 0.0005783800000000 ] - [ 0.0003963100000000, -0.0000728400000000, 0.0005783800000000 ] - [ -0.0030999400000000, 0.0000000000000000, 0.0073301900000000 ] - [ -0.0004819100000000, 0.0001108600000000, 0.0002440900000000 ] - [ -0.0004819100000000, -0.0001108600000000, 0.0002440900000000 ] - [ 0.0003538100000000, -0.0004231700000000, 0.0003681800000000 ] - [ 0.0003538100000000, 0.0004231700000000, 0.0003681800000000 ] - [ 0.0003558500000000, 0.0000000000000000, 0.0000694500000000 ] - [ -0.0036039600000000, -0.0029994900000000, -0.0025394700000000 ] - [ -0.0036039600000000, 0.0029994900000000, -0.0025394700000000 ] - [ -0.0010781700000000, 0.0000000000000000, -0.0006548400000000 ] - [ 0.0652379300000000, 0.0000000000000000, 0.0067545900000000 ] - [ -0.0017597100000000, -0.0006405400000000, -0.0003110400000000 ] - [ -0.0017597100000000, 0.0006405400000000, -0.0003110400000000 ] - [ 0.0023009800000000, -0.0019391700000000, -0.0038082500000000 ] - [ 0.0023009800000000, 0.0019391700000000, -0.0038082500000000 ] - [ 0.0005181700000000, 0.0000000000000000, -0.0006508400000000 ] - [ -0.0012288100000000, 0.0002406800000000, 0.0001127300000000 ] - [ -0.0012288100000000, -0.0002406800000000, 0.0001127300000000 ] - [ -0.0003008000000000, 0.0000000000000000, 0.0005613500000000 ] - [ 0.0036546700000000, 0.0034270900000000, -0.0001059400000000 ] - [ 0.0036546700000000, -0.0034270900000000, -0.0001059400000000 ] - [ 0.0013003900000000, 0.0000000000000000, -0.0010071700000000 ] - [ 0.0004687400000000, 0.0000000000000000, 0.0017521700000000 ] - [ 0.0004648600000000, 0.0000140800000000, 0.0016634200000000 ] - [ 0.0004648600000000, -0.0000140800000000, 0.0016634200000000 ] - [ 0.0002410800000000, 0.0000000000000000, -0.0003849800000000 ] - [ 0.0002098400000000, 0.0001868300000000, -0.0003646200000000 ] - [ 0.0002098400000000, -0.0001868300000000, -0.0003646200000000 ] - [ 0.0002980000000000, -0.0002488500000000, -0.0015071500000000 ] - [ 0.0002980000000000, 0.0002488500000000, -0.0015071500000000 ] - [ -0.0002738700000000, 0.0000000000000000, -0.0003765400000000 ] - [ 0.0046565700000000, 0.0000000000000000, -0.0002602300000000 ] - [ 0.0025854800000000, -0.0016016300000000, -0.0002508800000000 ] - [ 0.0025854800000000, 0.0016016300000000, -0.0002508800000000 ] - [ 0.0000450000000000, -0.0000920700000000, 0.0006508500000000 ] - [ 0.0000450000000000, 0.0000920700000000, 0.0006508500000000 ] - [ -0.0000017500000000, 0.0000000000000000, 0.0000066000000000 ] - [ -0.0014021800000000, 0.0000000000000000, 0.0002343100000000 ] - [ -0.0013766300000000, 0.0000015200000000, 0.0000971300000000 ] - [ -0.0013766300000000, -0.0000015200000000, 0.0000971300000000 ] - [ 0.0016111200000000, 0.0017384500000000, 0.0024642500000000 ] - [ 0.0016111200000000, -0.0017384500000000, 0.0024642500000000 ] - [ 0.0008561500000000, 0.0000000000000000, 0.0014901900000000 ]- atom: 85 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0007120500000000, -0.0006139900000000, 0.0011710400000000 ] - [ 0.0007120500000000, 0.0006139900000000, 0.0011710400000000 ] - [ -0.0000435400000000, 0.0000000000000000, 0.0001357200000000 ] - [ -0.0152079500000000, 0.0000000000000000, 0.0063459700000000 ] - [ 0.0000487400000000, 0.0011245600000000, -0.0001447800000000 ] - [ 0.0000487400000000, -0.0011245600000000, -0.0001447800000000 ] - [ -0.0012040400000000, 0.0018881100000000, 0.0005330000000000 ] - [ -0.0012040400000000, -0.0018881100000000, 0.0005330000000000 ] - [ -0.0001421900000000, 0.0000000000000000, -0.0002169800000000 ] - [ 0.0001423400000000, 0.0000000000000000, 0.0002287200000000 ] - [ 0.0001172000000000, -0.0000744300000000, 0.0001043200000000 ] - [ 0.0001172000000000, 0.0000744300000000, 0.0001043200000000 ] - [ 0.0049747200000000, -0.0010265000000000, -0.0007806800000000 ] - [ 0.0049747200000000, 0.0010265000000000, -0.0007806800000000 ] - [ 0.0010034200000000, 0.0000000000000000, 0.0005933700000000 ] - [ 0.0009990100000000, -0.0001423000000000, 0.0005210800000000 ] - [ 0.0009990100000000, 0.0001423000000000, 0.0005210800000000 ] - [ 0.0007371500000000, 0.0000000000000000, 0.0001940000000000 ] - [ 0.0012086500000000, 0.0000000000000000, 0.0017721300000000 ] - [ 0.0006671000000000, -0.0000229400000000, 0.0010867700000000 ] - [ 0.0006671000000000, 0.0000229400000000, 0.0010867700000000 ] - [ 0.0015996000000000, 0.0000000000000000, 0.0014670100000000 ] - [ 0.0006887600000000, 0.0003026400000000, -0.0001314900000000 ] - [ 0.0006887600000000, -0.0003026400000000, -0.0001314900000000 ] - [ -0.0119404000000000, 0.0000000000000000, 0.0139693300000000 ] - [ 0.0000459900000000, 0.0013503000000000, 0.0009320300000000 ] - [ 0.0000459900000000, -0.0013503000000000, 0.0009320300000000 ] - [ -0.0008012200000000, -0.0001030000000000, 0.0003182000000000 ] - [ -0.0008012200000000, 0.0001030000000000, 0.0003182000000000 ] - [ -0.0006358600000000, 0.0000000000000000, 0.0001759600000000 ] - [ -0.0018644300000000, -0.0013086900000000, 0.0002577800000000 ] - [ -0.0018644300000000, 0.0013086900000000, 0.0002577800000000 ] - [ -0.0008431700000000, 0.0000000000000000, 0.0004072000000000 ] - [ 0.0053271700000000, 0.0076841700000000, -0.0072501300000000 ] - [ 0.0053271700000000, -0.0076841700000000, -0.0072501300000000 ] - [ -0.0008692700000000, 0.0000000000000000, -0.0019798600000000 ] - [ 0.0005736200000000, 0.0000000000000000, 0.0006885600000000 ] - [ -0.0002151000000000, -0.0001234700000000, -0.0001546700000000 ] - [ -0.0002151000000000, 0.0001234700000000, -0.0001546700000000 ] - [ 0.0107000700000000, 0.0000000000000000, 0.0084899800000000 ] - [ -0.0000343500000000, -0.0020042400000000, -0.0000847700000000 ] - [ -0.0000343500000000, 0.0020042400000000, -0.0000847700000000 ] - [ 0.0043659600000000, 0.0000000000000000, 0.0020666100000000 ] - [ 0.0019192400000000, 0.0004835200000000, -0.0001933800000000 ] - [ 0.0019192400000000, -0.0004835200000000, -0.0001933800000000 ] - [ 0.0003625400000000, -0.0002520000000000, 0.0008686000000000 ] - [ 0.0003625400000000, 0.0002520000000000, 0.0008686000000000 ] - [ -0.0001593700000000, 0.0000000000000000, 0.0005206700000000 ] - [ -0.2334396900000000, 0.0000000000000000, -0.1276713100000000 ] - [ -0.0022767900000000, -0.0002040300000000, -0.0011313400000000 ] - [ -0.0022767900000000, 0.0002040300000000, -0.0011313400000000 ] - [ -0.0006290500000000, 0.0001935000000000, -0.0028224000000000 ] - [ -0.0006290500000000, -0.0001935000000000, -0.0028224000000000 ] - [ -0.0000909800000000, 0.0000000000000000, -0.0005203100000000 ] - [ 0.0003173200000000, 0.0000000000000000, 0.0000906300000000 ] - [ 0.0003320300000000, -0.0000567000000000, -0.0000432900000000 ] - [ 0.0003320300000000, 0.0000567000000000, -0.0000432900000000 ] - [ 0.0012541100000000, -0.0001710600000000, 0.0019788100000000 ] - [ 0.0012541100000000, 0.0001710600000000, 0.0019788100000000 ] - [ 0.0006969300000000, 0.0000000000000000, 0.0008954300000000 ] - [ -0.0072224000000000, 0.0000000000000000, -0.0006262200000000 ] - [ -0.0018856500000000, -0.0005214000000000, -0.0009975400000000 ] - [ -0.0018856500000000, 0.0005214000000000, -0.0009975400000000 ] - [ 0.0006954800000000, 0.0000728700000000, -0.0002505200000000 ] - [ 0.0006954800000000, -0.0000728700000000, -0.0002505200000000 ] - [ 0.0008735300000000, 0.0000000000000000, -0.0000812800000000 ] - [ -0.0017180200000000, 0.0000000000000000, -0.0005894400000000 ] - [ -0.0005470400000000, -0.0002997900000000, 0.0007265900000000 ] - [ -0.0005470400000000, 0.0002997900000000, 0.0007265900000000 ] - [ -0.0013284700000000, 0.0000045000000000, -0.0001901300000000 ] - [ -0.0013284700000000, -0.0000045000000000, -0.0001901300000000 ] - [ -0.0007528500000000, 0.0000000000000000, 0.0000905000000000 ] - [ -0.0003671600000000, 0.0000000000000000, -0.0004706800000000 ] - [ 0.0000725000000000, -0.0000073500000000, -0.0002152900000000 ] - [ 0.0000725000000000, 0.0000073500000000, -0.0002152900000000 ] - [ -0.0007884500000000, 0.0001492900000000, 0.0001808800000000 ] - [ -0.0007884500000000, -0.0001492900000000, 0.0001808800000000 ] - [ -0.0007154800000000, 0.0000000000000000, 0.0005339100000000 ] - [ -0.0008754400000000, -0.0006633400000000, -0.0018703600000000 ] - [ -0.0008754400000000, 0.0006633400000000, -0.0018703600000000 ] - [ -0.0008072400000000, 0.0000000000000000, -0.0018350800000000 ] - [ -0.0039075300000000, 0.0000000000000000, 0.0006508500000000 ] - [ -0.0016038000000000, -0.0003906900000000, 0.0006477200000000 ] - [ -0.0016038000000000, 0.0003906900000000, 0.0006477200000000 ] - [ 0.3200377700000000, 0.0000000000000000, 0.1420114600000000 ] - [ 0.0019608000000000, -0.0012222100000000, 0.0001710900000000 ] - [ 0.0019608000000000, 0.0012222100000000, 0.0001710900000000 ] - [ -0.0056468900000000, 0.0000000000000000, -0.0293617300000000 ] - [ 0.0003788700000000, 0.0004497700000000, 0.0012474000000000 ] - [ 0.0003788700000000, -0.0004497700000000, 0.0012474000000000 ] - [ -0.0003908500000000, -0.0002603500000000, 0.0010640000000000 ] - [ -0.0003908500000000, 0.0002603500000000, 0.0010640000000000 ] - [ 0.0003594900000000, 0.0000000000000000, 0.0002111500000000 ] - [ 0.0005188100000000, 0.0000000000000000, -0.0000732400000000 ] - [ 0.0002847700000000, -0.0000741100000000, 0.0001790200000000 ] - [ 0.0002847700000000, 0.0000741100000000, 0.0001790200000000 ] - [ 0.0023147400000000, 0.0000000000000000, -0.0074481800000000 ] - [ -0.0004269300000000, -0.0001169500000000, -0.0002250900000000 ] - [ -0.0004269300000000, 0.0001169500000000, -0.0002250900000000 ] - [ 0.0005522600000000, 0.0004325600000000, -0.0004021800000000 ] - [ 0.0005522600000000, -0.0004325600000000, -0.0004021800000000 ] - [ 0.0005526200000000, 0.0000000000000000, -0.0000930200000000 ] - [ 0.0029581800000000, 0.0029946700000000, 0.0017844300000000 ] - [ 0.0029581800000000, -0.0029946700000000, 0.0017844300000000 ] - [ 0.0004054600000000, 0.0000000000000000, -0.0001054700000000 ] - [ -0.0676746700000000, 0.0000000000000000, -0.0072389500000000 ] - [ 0.0007090900000000, 0.0006442800000000, 0.0000436300000000 ] - [ 0.0007090900000000, -0.0006442800000000, 0.0000436300000000 ] - [ -0.0017107300000000, 0.0019303700000000, 0.0028001900000000 ] - [ -0.0017107300000000, -0.0019303700000000, 0.0028001900000000 ] - [ 0.0000734700000000, 0.0000000000000000, -0.0003469500000000 ] - [ 0.0008822200000000, -0.0002408800000000, 0.0008829300000000 ] - [ 0.0008822200000000, 0.0002408800000000, 0.0008829300000000 ] - [ -0.0000447500000000, 0.0000000000000000, 0.0004412300000000 ] - [ -0.0020391800000000, -0.0034631800000000, -0.0011303400000000 ] - [ -0.0020391800000000, 0.0034631800000000, -0.0011303400000000 ] - [ 0.0003333300000000, 0.0000000000000000, -0.0002089500000000 ] - [ 0.0006310700000000, 0.0000000000000000, 0.0013583400000000 ] - [ 0.0006358300000000, -0.0000142000000000, 0.0014497000000000 ] - [ 0.0006358300000000, 0.0000142000000000, 0.0014497000000000 ] - [ 0.0008348700000000, 0.0000000000000000, -0.0008080200000000 ] - [ 0.0008569400000000, -0.0001925800000000, -0.0008286700000000 ] - [ 0.0008569400000000, 0.0001925800000000, -0.0008286700000000 ] - [ -0.0007294300000000, 0.0002497400000000, 0.0015480200000000 ] - [ -0.0007294300000000, -0.0002497400000000, 0.0015480200000000 ] - [ -0.0001579700000000, 0.0000000000000000, 0.0004046000000000 ] - [ -0.0041680700000000, 0.0000000000000000, -0.0001055800000000 ] - [ -0.0021074700000000, 0.0016164200000000, -0.0001255400000000 ] - [ -0.0021074700000000, -0.0016164200000000, -0.0001255400000000 ] - [ -0.0002442300000000, 0.0000936500000000, -0.0016513400000000 ] - [ -0.0002442300000000, -0.0000936500000000, -0.0016513400000000 ] - [ -0.0001964400000000, 0.0000000000000000, -0.0010036800000000 ] - [ -0.0011224300000000, 0.0000000000000000, -0.0001982500000000 ] - [ -0.0011492600000000, -0.0000017400000000, -0.0000612500000000 ] - [ -0.0011492600000000, 0.0000017400000000, -0.0000612500000000 ] - [ -0.0001100300000000, -0.0017505000000000, -0.0011200000000000 ] - [ -0.0001100300000000, 0.0017505000000000, -0.0011200000000000 ] - [ 0.0006467300000000, 0.0000000000000000, -0.0001442300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001104400000000, -0.0000140900000000, 0.0006228600000000 ] - [ -0.0005225800000000, -0.0000152100000000, -0.0003821400000000 ] - [ -0.0002074000000000, -0.0001067600000000, 0.0001175800000000 ] - [ -0.0001600200000000, 0.0051187200000000, 0.0002718500000000 ] - [ -0.0007711800000000, -0.0010654200000000, 0.0007411900000000 ] - [ 0.0005343600000000, -0.0010579500000000, -0.0002661200000000 ] - [ -0.0004379700000000, 0.0002532500000000, -0.0009062400000000 ] - [ 0.0006714800000000, 0.0002720400000000, 0.0004516900000000 ] - [ 0.0001131700000000, -0.0003754800000000, -0.0002304600000000 ] - [ 0.0002065200000000, 0.0000132900000000, -0.0001187600000000 ] - [ 0.0002169500000000, -0.0000088500000000, -0.0001198200000000 ] - [ 0.0001922500000000, -0.0000097900000000, -0.0001227900000000 ] - [ 0.0015325800000000, 0.0003174700000000, 0.0003811800000000 ] - [ -0.0013596000000000, 0.0003284100000000, 0.0004965000000000 ] - [ 0.0000926500000000, -0.0006077200000000, 0.0004374200000000 ] - [ 0.0004971100000000, 0.0000554100000000, -0.0001642700000000 ] - [ 0.0005212600000000, 0.0000572800000000, -0.0000750900000000 ] - [ 0.0005094700000000, -0.0001014600000000, -0.0001191100000000 ] - [ 0.0000530900000000, 0.0004150600000000, 0.0009179200000000 ] - [ -0.0001184800000000, -0.0002026500000000, 0.0010506300000000 ] - [ 0.0002272400000000, -0.0002058800000000, 0.0007947500000000 ] - [ 0.0005156700000000, 0.0002616100000000, -0.0004335900000000 ] - [ 0.0003255700000000, -0.0001373500000000, -0.0005424200000000 ] - [ 0.0006985300000000, -0.0001394500000000, -0.0003379600000000 ] - [ 0.0005245000000000, 0.0090051000000000, -0.0000881900000000 ] - [ 0.0008305600000000, -0.0017078200000000, -0.0028780200000000 ] - [ 0.0001864100000000, -0.0016885300000000, 0.0029481200000000 ] - [ -0.0005067900000000, 0.0001016800000000, -0.0002621000000000 ] - [ -0.0005071200000000, 0.0001036400000000, 0.0001507000000000 ] - [ -0.0005074400000000, -0.0002018600000000, -0.0000541300000000 ] - [ -0.0008445300000000, 0.0001053200000000, 0.0011924900000000 ] - [ -0.0001838500000000, 0.0001201800000000, -0.0003329500000000 ] - [ -0.0005111200000000, -0.0004426400000000, 0.0004346700000000 ] - [ -0.0012899100000000, 0.0007186600000000, -0.0012524500000000 ] - [ 0.0011761200000000, 0.0007563600000000, -0.0005671400000000 ] - [ -0.0000490300000000, -0.0007714700000000, -0.0009221600000000 ] - [ -0.0005106200000000, 0.0000380800000000, 0.0001167900000000 ] - [ -0.0004892100000000, -0.0000234400000000, 0.0000529600000000 ] - [ -0.0005314900000000, -0.0000267600000000, 0.0001809700000000 ] - [ -0.0001404400000000, -0.0010746000000000, -0.0004502500000000 ] - [ 0.0007132000000000, -0.0000652100000000, -0.0000918400000000 ] - [ -0.0008930000000000, -0.0000805800000000, -0.0007740500000000 ] - [ -0.0000668700000000, -0.0000289900000000, -0.0001447700000000 ] - [ -0.0004571800000000, -0.0000301200000000, -0.0003689000000000 ] - [ 0.0003262300000000, -0.0000284000000000, 0.0000775000000000 ] - [ -0.0004587400000000, -0.0003917800000000, -0.0002434200000000 ] - [ -0.0005259400000000, -0.0003941100000000, 0.0007722400000000 ] - [ -0.0004932800000000, 0.0001396600000000, 0.0002610600000000 ] - [ 0.0009425200000000, 0.0491966700000000, 0.0008699400000000 ] - [ 0.0025836600000000, -0.0010980000000000, 0.0018990900000000 ] - [ -0.0023262900000000, -0.0010835200000000, -0.0012737800000000 ] - [ -0.0002203200000000, 0.0001260500000000, -0.0017214400000000 ] - [ -0.0000030400000000, 0.0001268300000000, 0.0011250900000000 ] - [ -0.0001136300000000, -0.0000766300000000, -0.0002986600000000 ] - [ 0.0004921500000000, -0.0000872300000000, -0.0002668300000000 ] - [ 0.0005476400000000, 0.0000247700000000, -0.0003307000000000 ] - [ 0.0004360200000000, 0.0000251400000000, -0.0002030800000000 ] - [ 0.0000472500000000, -0.0000492200000000, 0.0001316900000000 ] - [ 0.0000729700000000, -0.0000504000000000, 0.0001495000000000 ] - [ 0.0000627500000000, 0.0000453400000000, 0.0001454600000000 ] - [ -0.0007508900000000, -0.0010150200000000, -0.0006801100000000 ] - [ -0.0002350000000000, 0.0003135300000000, -0.0006068800000000 ] - [ -0.0012619700000000, 0.0003137900000000, -0.0007506300000000 ] - [ 0.0015084300000000, 0.0001134900000000, 0.0000939900000000 ] - [ 0.0010176600000000, 0.0001142200000000, -0.0001298700000000 ] - [ 0.0012648700000000, -0.0000101400000000, -0.0000175000000000 ] - [ 0.0001023300000000, -0.0001956200000000, 0.0004946200000000 ] - [ 0.0002192200000000, 0.0000672800000000, 0.0006528000000000 ] - [ -0.0000178900000000, 0.0000659300000000, 0.0003365600000000 ] - [ -0.0002298500000000, -0.0000687700000000, 0.0002008200000000 ] - [ -0.0002548100000000, -0.0000705100000000, 0.0001800400000000 ] - [ -0.0002446400000000, 0.0001494000000000, 0.0001893300000000 ] - [ 0.0002154600000000, -0.0000194500000000, -0.0000099100000000 ] - [ 0.0003003900000000, 0.0000054000000000, -0.0000383000000000 ] - [ 0.0001340700000000, 0.0000065500000000, 0.0000176400000000 ] - [ -0.0005602700000000, 0.0000063400000000, 0.0006616200000000 ] - [ -0.0004977300000000, 0.0000054200000000, 0.0005271100000000 ] - [ -0.0005292300000000, 0.0000592900000000, 0.0005950600000000 ] - [ 0.0003990300000000, -0.0015196400000000, -0.0008437500000000 ] - [ -0.0015075300000000, -0.0015413600000000, -0.0022705200000000 ] - [ -0.0005475200000000, 0.0005335300000000, -0.0015546700000000 ] - [ -0.0008009200000000, -0.0004372400000000, 0.0006113600000000 ] - [ -0.0010060900000000, 0.0001663400000000, 0.0006069400000000 ] - [ -0.0006281400000000, 0.0001691000000000, 0.0006134000000000 ] - [ -0.0007976200000000, -0.0280838400000000, -0.0010906500000000 ] - [ -0.0010534600000000, 0.0031585200000000, -0.0002364400000000 ] - [ 0.0013851400000000, 0.0031198800000000, -0.0007701600000000 ] - [ -0.0002076500000000, -0.0160545700000000, 0.0006043700000000 ] - [ -0.0010431800000000, 0.0003441600000000, -0.0003003000000000 ] - [ 0.0004375700000000, 0.0003440900000000, 0.0012816300000000 ] - [ -0.0001543400000000, -0.0000999500000000, 0.0008513900000000 ] - [ 0.0012213400000000, -0.0001030200000000, -0.0005867000000000 ] - [ 0.0005331000000000, 0.0000815800000000, 0.0001325600000000 ] - [ 0.0003426800000000, -0.0001982000000000, 0.0003822600000000 ] - [ 0.0002963200000000, 0.0001102300000000, 0.0003855800000000 ] - [ 0.0003864500000000, 0.0001112900000000, 0.0003806200000000 ] - [ -0.0004360900000000, 0.0006496100000000, -0.0000092600000000 ] - [ -0.0007245700000000, 0.0001667900000000, 0.0005826700000000 ] - [ -0.0001847000000000, 0.0001678000000000, -0.0005518600000000 ] - [ 0.0001670700000000, 0.0000098800000000, -0.0002771300000000 ] - [ 0.0007412500000000, 0.0000069700000000, 0.0002599200000000 ] - [ 0.0004533100000000, 0.0001415000000000, -0.0000089500000000 ] - [ -0.0003420300000000, -0.0010703900000000, -0.0031292000000000 ] - [ -0.0003701400000000, -0.0010620900000000, 0.0024035900000000 ] - [ -0.0003454000000000, 0.0007150700000000, -0.0003811300000000 ] - [ -0.0004116400000000, -0.0146863700000000, -0.0001162900000000 ] - [ -0.0018853600000000, 0.0002332500000000, 0.0000373200000000 ] - [ 0.0008015800000000, 0.0002348300000000, -0.0003063200000000 ] - [ -0.0013082800000000, 0.0003755900000000, 0.0015052200000000 ] - [ 0.0019168700000000, 0.0003727500000000, -0.0025131500000000 ] - [ 0.0002996000000000, 0.0003988700000000, -0.0005008100000000 ] - [ 0.0000596700000000, -0.0000630700000000, 0.0010845000000000 ] - [ -0.0004080900000000, -0.0000658700000000, -0.0000783400000000 ] - [ -0.0001730900000000, 0.0001073500000000, 0.0005024500000000 ] - [ 0.0001701500000000, -0.0003591200000000, -0.0009619000000000 ] - [ 0.0014729400000000, -0.0003819000000000, -0.0002660200000000 ] - [ 0.0008169800000000, 0.0003460000000000, -0.0006134800000000 ] - [ 0.0005503800000000, -0.0000899000000000, 0.0015584400000000 ] - [ 0.0005408100000000, 0.0000478800000000, 0.0015796800000000 ] - [ 0.0005609400000000, 0.0000486200000000, 0.0015384200000000 ] - [ 0.0005279300000000, -0.0004133100000000, -0.0005920700000000 ] - [ 0.0004522600000000, 0.0001608900000000, -0.0005685900000000 ] - [ 0.0006045200000000, 0.0001613800000000, -0.0006168800000000 ] - [ -0.0001195300000000, 0.0000089400000000, 0.0000865000000000 ] - [ -0.0003112900000000, 0.0000091100000000, -0.0000688700000000 ] - [ -0.0002176300000000, 0.0000262600000000, 0.0000112200000000 ] - [ 0.0002484400000000, -0.0001063800000000, -0.0001916200000000 ] - [ 0.0006727800000000, -0.0000904500000000, -0.0001149100000000 ] - [ -0.0001769200000000, -0.0000835200000000, -0.0002651800000000 ] - [ -0.0000840700000000, 0.0000016300000000, -0.0004794600000000 ] - [ -0.0001143300000000, 0.0000014800000000, -0.0005038400000000 ] - [ -0.0000991000000000, 0.0000045400000000, -0.0004940300000000 ] - [ -0.0012641300000000, 0.0000255500000000, 0.0000191700000000 ] - [ -0.0013199700000000, -0.0000074500000000, 0.0000468800000000 ] - [ -0.0012078400000000, -0.0000070200000000, -0.0000090900000000 ] - [ 0.0006368400000000, -0.0001647100000000, 0.0005964600000000 ] - [ 0.0008705500000000, -0.0001784800000000, 0.0007669000000000 ] - [ 0.0007506900000000, 0.0001888100000000, 0.0006775000000000 ]- atom: 85 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0012555500000000, 0.0001032400000000, 0.0009269100000000 ] - [ -0.0012555500000000, -0.0001032400000000, 0.0009269100000000 ] - [ -0.0004608600000000, 0.0000000000000000, 0.0005142700000000 ] - [ -0.0092978200000000, 0.0000000000000000, 0.0121358500000000 ] - [ -0.0000485100000000, 0.0009494700000000, 0.0007802700000000 ] - [ -0.0000485100000000, -0.0009494700000000, 0.0007802700000000 ] - [ 0.0005786800000000, -0.0034016600000000, -0.0027046100000000 ] - [ 0.0005786800000000, 0.0034016600000000, -0.0027046100000000 ] - [ 0.0002318400000000, 0.0000000000000000, -0.0004892600000000 ] - [ 0.0001816200000000, 0.0000000000000000, -0.0008525000000000 ] - [ 0.0002631700000000, 0.0000845100000000, -0.0005948900000000 ] - [ 0.0002631700000000, -0.0000845100000000, -0.0005948900000000 ] - [ 0.0019620000000000, -0.0018762800000000, 0.0011083900000000 ] - [ 0.0019620000000000, 0.0018762800000000, 0.0011083900000000 ] - [ 0.0001275000000000, 0.0000000000000000, 0.0007501400000000 ] - [ -0.0003615900000000, 0.0003514000000000, -0.0022013900000000 ] - [ -0.0003615900000000, -0.0003514000000000, -0.0022013900000000 ] - [ 0.0001627200000000, 0.0000000000000000, -0.0012764400000000 ] - [ 0.0000257600000000, 0.0000000000000000, -0.0030472000000000 ] - [ 0.0000023000000000, 0.0007780900000000, -0.0011058600000000 ] - [ 0.0000023000000000, -0.0007780900000000, -0.0011058600000000 ] - [ -0.0016075300000000, 0.0000000000000000, -0.0065077500000000 ] - [ 0.0003754500000000, -0.0009519000000000, -0.0022006100000000 ] - [ 0.0003754500000000, 0.0009519000000000, -0.0022006100000000 ] - [ 0.0037849300000000, 0.0000000000000000, 0.0322164800000000 ] - [ 0.0004475400000000, -0.0036004200000000, 0.0027796200000000 ] - [ 0.0004475400000000, 0.0036004200000000, 0.0027796200000000 ] - [ 0.0001034100000000, 0.0000476400000000, -0.0036883600000000 ] - [ 0.0001034100000000, -0.0000476400000000, -0.0036883600000000 ] - [ -0.0003668200000000, 0.0000000000000000, -0.0018146200000000 ] - [ 0.0029096000000000, 0.0042750800000000, -0.0010604800000000 ] - [ 0.0029096000000000, -0.0042750800000000, -0.0010604800000000 ] - [ 0.0000063800000000, 0.0000000000000000, 0.0001717200000000 ] - [ 0.0005732400000000, -0.0014315400000000, 0.0046078900000000 ] - [ 0.0005732400000000, 0.0014315400000000, 0.0046078900000000 ] - [ 0.0004977200000000, 0.0000000000000000, 0.0017349400000000 ] - [ -0.0007787300000000, 0.0000000000000000, 0.0009402700000000 ] - [ -0.0005637800000000, -0.0005692100000000, 0.0006756000000000 ] - [ -0.0005637800000000, 0.0005692100000000, 0.0006756000000000 ] - [ -0.0162790700000000, 0.0000000000000000, 0.0020832800000000 ] - [ -0.0008366100000000, 0.0018505100000000, -0.0000761600000000 ] - [ -0.0008366100000000, -0.0018505100000000, -0.0000761600000000 ] - [ 0.0003050800000000, 0.0000000000000000, 0.0033181600000000 ] - [ -0.0001592200000000, -0.0001155500000000, 0.0018294700000000 ] - [ -0.0001592200000000, 0.0001155500000000, 0.0018294700000000 ] - [ -0.0031291200000000, -0.0009297500000000, -0.0046336000000000 ] - [ -0.0031291200000000, 0.0009297500000000, -0.0046336000000000 ] - [ -0.0009296000000000, 0.0000000000000000, -0.0003823300000000 ] - [ 0.0445066200000000, 0.0000000000000000, 0.0904357800000000 ] - [ 0.0003982900000000, 0.0006914200000000, 0.0024094800000000 ] - [ 0.0003982900000000, -0.0006914200000000, 0.0024094800000000 ] - [ 0.0000827400000000, -0.0000757000000000, -0.0034568300000000 ] - [ 0.0000827400000000, 0.0000757000000000, -0.0034568300000000 ] - [ -0.0003748800000000, 0.0000000000000000, -0.0008731400000000 ] - [ 0.0008401600000000, 0.0000000000000000, -0.0023696300000000 ] - [ 0.0007733200000000, 0.0001418300000000, -0.0016536500000000 ] - [ 0.0007733200000000, -0.0001418300000000, -0.0016536500000000 ] - [ -0.0004451600000000, 0.0001377800000000, -0.0025827600000000 ] - [ -0.0004451600000000, -0.0001377800000000, -0.0025827600000000 ] - [ 0.0001341700000000, 0.0000000000000000, -0.0011053400000000 ] - [ -0.0028510900000000, 0.0000000000000000, -0.0032009200000000 ] - [ -0.0010321600000000, -0.0004901100000000, -0.0020605800000000 ] - [ -0.0010321600000000, 0.0004901100000000, -0.0020605800000000 ] - [ 0.0035874800000000, 0.0003817800000000, 0.0011131900000000 ] - [ 0.0035874800000000, -0.0003817800000000, 0.0011131900000000 ] - [ 0.0016695100000000, 0.0000000000000000, 0.0002003600000000 ] - [ 0.0009906300000000, 0.0000000000000000, -0.0016074000000000 ] - [ 0.0006362500000000, 0.0002745700000000, -0.0009513100000000 ] - [ 0.0006362500000000, -0.0002745700000000, -0.0009513100000000 ] - [ 0.0003134300000000, 0.0003036300000000, 0.0010638000000000 ] - [ 0.0003134300000000, -0.0003036300000000, 0.0010638000000000 ] - [ -0.0004924700000000, 0.0000000000000000, 0.0006338600000000 ] - [ 0.0009797000000000, 0.0000000000000000, 0.0017306600000000 ] - [ 0.0002596400000000, 0.0001621700000000, 0.0010537700000000 ] - [ 0.0002596400000000, -0.0001621700000000, 0.0010537700000000 ] - [ -0.0003294900000000, -0.0002010100000000, 0.0027768000000000 ] - [ -0.0003294900000000, 0.0002010100000000, 0.0027768000000000 ] - [ -0.0002393200000000, 0.0000000000000000, 0.0010035100000000 ] - [ 0.0042868400000000, -0.0074638300000000, 0.0017656000000000 ] - [ 0.0042868400000000, 0.0074638300000000, 0.0017656000000000 ] - [ -0.0001356700000000, 0.0000000000000000, -0.0010822100000000 ] - [ 0.0040434900000000, 0.0000000000000000, 0.0022394200000000 ] - [ -0.0007435000000000, -0.0005862600000000, 0.0013688700000000 ] - [ -0.0007435000000000, 0.0005862600000000, 0.0013688700000000 ] - [ -0.0559094600000000, 0.0000000000000000, -0.1837889300000000 ] - [ -0.0000272500000000, -0.0005568800000000, -0.0031387200000000 ] - [ -0.0000272500000000, 0.0005568800000000, -0.0031387200000000 ] - [ 0.0442542800000000, 0.0000000000000000, 0.0474589500000000 ] - [ 0.0000132500000000, -0.0012865200000000, -0.0006641600000000 ] - [ 0.0000132500000000, 0.0012865200000000, -0.0006641600000000 ] - [ -0.0007225800000000, 0.0002444900000000, 0.0019259200000000 ] - [ -0.0007225800000000, -0.0002444900000000, 0.0019259200000000 ] - [ 0.0006297600000000, 0.0000000000000000, 0.0004612500000000 ] - [ -0.0000398200000000, 0.0000000000000000, 0.0025000500000000 ] - [ 0.0004170800000000, -0.0000202500000000, 0.0016613900000000 ] - [ 0.0004170800000000, 0.0000202500000000, 0.0016613900000000 ] - [ -0.0116763300000000, 0.0000000000000000, 0.0174754400000000 ] - [ 0.0002004900000000, 0.0008626600000000, 0.0005839600000000 ] - [ 0.0002004900000000, -0.0008626600000000, 0.0005839600000000 ] - [ 0.0001986400000000, -0.0011514800000000, 0.0023476300000000 ] - [ 0.0001986400000000, 0.0011514800000000, 0.0023476300000000 ] - [ -0.0000018500000000, 0.0000000000000000, 0.0008250400000000 ] - [ -0.0052979700000000, -0.0049316500000000, -0.0016938300000000 ] - [ -0.0052979700000000, 0.0049316500000000, -0.0016938300000000 ] - [ -0.0017152700000000, 0.0000000000000000, -0.0010040300000000 ] - [ -0.0035206700000000, 0.0000000000000000, -0.0185629300000000 ] - [ -0.0005118600000000, -0.0001981200000000, -0.0015029100000000 ] - [ -0.0005118600000000, 0.0001981200000000, -0.0015029100000000 ] - [ -0.0024616600000000, 0.0025806900000000, 0.0024241200000000 ] - [ -0.0024616600000000, -0.0025806900000000, 0.0024241200000000 ] - [ 0.0002638400000000, 0.0000000000000000, -0.0002304300000000 ] - [ -0.0003345700000000, 0.0005117400000000, 0.0034472000000000 ] - [ -0.0003345700000000, -0.0005117400000000, 0.0034472000000000 ] - [ -0.0000942900000000, 0.0000000000000000, 0.0014779300000000 ] - [ 0.0004040000000000, 0.0019503300000000, -0.0036352700000000 ] - [ 0.0004040000000000, -0.0019503300000000, -0.0036352700000000 ] - [ 0.0009342800000000, 0.0000000000000000, -0.0019812600000000 ] - [ 0.0009381900000000, 0.0000000000000000, 0.0027526500000000 ] - [ 0.0008201700000000, -0.0000943800000000, 0.0024159900000000 ] - [ 0.0008201700000000, 0.0000943800000000, 0.0024159900000000 ] - [ -0.0011221000000000, 0.0000000000000000, 0.0006537300000000 ] - [ -0.0004754500000000, 0.0007624200000000, 0.0005226100000000 ] - [ -0.0004754500000000, -0.0007624200000000, 0.0005226100000000 ] - [ -0.0004770600000000, -0.0002069300000000, -0.0013639500000000 ] - [ -0.0004770600000000, 0.0002069300000000, -0.0013639500000000 ] - [ -0.0001092800000000, 0.0000000000000000, -0.0008699500000000 ] - [ -0.0002296000000000, 0.0000000000000000, -0.0012973700000000 ] - [ 0.0006305900000000, -0.0003280800000000, -0.0009087400000000 ] - [ 0.0006305900000000, 0.0003280800000000, -0.0009087400000000 ] - [ -0.0000063200000000, -0.0000772200000000, 0.0016761300000000 ] - [ -0.0000063200000000, 0.0000772200000000, 0.0016761300000000 ] - [ -0.0001384100000000, 0.0000000000000000, 0.0006661400000000 ] - [ -0.0017308700000000, 0.0000000000000000, 0.0007429400000000 ] - [ -0.0015606200000000, 0.0000273100000000, 0.0004983200000000 ] - [ -0.0015606200000000, -0.0000273100000000, 0.0004983200000000 ] - [ 0.0023707900000000, 0.0014220900000000, 0.0029518600000000 ] - [ 0.0023707900000000, -0.0014220900000000, 0.0029518600000000 ] - [ 0.0009369000000000, 0.0000000000000000, 0.0015486300000000 ]- atom: 85 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0008385300000000, -0.0000978500000000, -0.0006658600000000 ] - [ 0.0008385300000000, 0.0000978500000000, -0.0006658600000000 ] - [ 0.0000542100000000, 0.0000000000000000, -0.0002568800000000 ] - [ 0.0099398000000000, 0.0000000000000000, -0.0120935100000000 ] - [ -0.0001741300000000, -0.0009425000000000, -0.0003218200000000 ] - [ -0.0001741300000000, 0.0009425000000000, -0.0003218200000000 ] - [ -0.0003483000000000, 0.0033782400000000, 0.0022173900000000 ] - [ -0.0003483000000000, -0.0033782400000000, 0.0022173900000000 ] - [ -0.0000041400000000, 0.0000000000000000, 0.0000223900000000 ] - [ 0.0002222500000000, 0.0000000000000000, 0.0005948100000000 ] - [ 0.0001400800000000, -0.0000845000000000, 0.0003363400000000 ] - [ 0.0001400800000000, 0.0000845000000000, 0.0003363400000000 ] - [ -0.0017779600000000, 0.0018727300000000, -0.0002423700000000 ] - [ -0.0017779600000000, -0.0018727300000000, -0.0002423700000000 ] - [ 0.0000590100000000, 0.0000000000000000, 0.0001182200000000 ] - [ 0.0013707500000000, -0.0003451400000000, 0.0019478800000000 ] - [ 0.0013707500000000, 0.0003451400000000, 0.0019478800000000 ] - [ 0.0008522200000000, 0.0000000000000000, 0.0010315500000000 ] - [ 0.0000826500000000, 0.0000000000000000, 0.0048646800000000 ] - [ 0.0001067700000000, -0.0007764300000000, 0.0029304800000000 ] - [ 0.0001067700000000, 0.0007764300000000, 0.0029304800000000 ] - [ 0.0026117600000000, 0.0000000000000000, 0.0055751600000000 ] - [ 0.0006496400000000, 0.0009400800000000, 0.0013107800000000 ] - [ 0.0006496400000000, -0.0009400800000000, 0.0013107800000000 ] - [ -0.0028256800000000, 0.0000000000000000, -0.0297303100000000 ] - [ 0.0005675100000000, 0.0035650500000000, -0.0026232300000000 ] - [ 0.0005675100000000, -0.0035650500000000, -0.0026232300000000 ] - [ -0.0011124200000000, -0.0000445800000000, 0.0035520400000000 ] - [ -0.0011124200000000, 0.0000445800000000, 0.0035520400000000 ] - [ -0.0006460200000000, 0.0000000000000000, 0.0016906000000000 ] - [ -0.0038981200000000, -0.0042326600000000, 0.0019268300000000 ] - [ -0.0038981200000000, 0.0042326600000000, 0.0019268300000000 ] - [ -0.0010255600000000, 0.0000000000000000, 0.0007056500000000 ] - [ -0.0007497400000000, 0.0013328300000000, -0.0063517800000000 ] - [ -0.0007497400000000, -0.0013328300000000, -0.0063517800000000 ] - [ -0.0006029400000000, 0.0000000000000000, -0.0035502300000000 ] - [ -0.0002521800000000, 0.0000000000000000, -0.0006932600000000 ] - [ -0.0004598500000000, 0.0005659300000000, -0.0004284800000000 ] - [ -0.0004598500000000, -0.0005659300000000, -0.0004284800000000 ] - [ 0.0160000700000000, 0.0000000000000000, -0.0030749500000000 ] - [ 0.0006378400000000, -0.0018349400000000, -0.0008058300000000 ] - [ 0.0006378400000000, 0.0018349400000000, -0.0008058300000000 ] - [ -0.0004503600000000, 0.0000000000000000, -0.0035764000000000 ] - [ 0.0000161100000000, 0.0001108300000000, -0.0021021900000000 ] - [ 0.0000161100000000, -0.0001108300000000, -0.0021021900000000 ] - [ 0.0021122700000000, 0.0009183200000000, 0.0051149500000000 ] - [ 0.0021122700000000, -0.0009183200000000, 0.0051149500000000 ] - [ -0.0000592800000000, 0.0000000000000000, 0.0009100600000000 ] - [ -0.0462512800000000, 0.0000000000000000, -0.0897874600000000 ] - [ -0.0001726800000000, -0.0006784100000000, -0.0018020600000000 ] - [ -0.0001726800000000, 0.0006784100000000, -0.0018020600000000 ] - [ -0.0003080800000000, 0.0000757400000000, 0.0028364000000000 ] - [ -0.0003080800000000, -0.0000757400000000, 0.0028364000000000 ] - [ 0.0001464100000000, 0.0000000000000000, 0.0002629500000000 ] - [ 0.0001466300000000, 0.0000000000000000, 0.0018241700000000 ] - [ 0.0002119700000000, -0.0001399700000000, 0.0011137300000000 ] - [ 0.0002119700000000, 0.0001399700000000, 0.0011137300000000 ] - [ 0.0005632200000000, -0.0001356900000000, 0.0028497700000000 ] - [ 0.0005632200000000, 0.0001356900000000, 0.0028497700000000 ] - [ -0.0000118700000000, 0.0000000000000000, 0.0013816400000000 ] - [ 0.0013381500000000, 0.0000000000000000, 0.0018334400000000 ] - [ -0.0004697400000000, 0.0004897700000000, 0.0006993400000000 ] - [ -0.0004697400000000, -0.0004897700000000, 0.0006993400000000 ] - [ -0.0010302200000000, -0.0003761500000000, -0.0011408800000000 ] - [ -0.0010302200000000, 0.0003761500000000, -0.0011408800000000 ] - [ 0.0008650600000000, 0.0000000000000000, -0.0002374700000000 ] - [ -0.0007704600000000, 0.0000000000000000, 0.0025760000000000 ] - [ -0.0004290800000000, -0.0002703300000000, 0.0019239100000000 ] - [ -0.0004290800000000, 0.0002703300000000, 0.0019239100000000 ] - [ -0.0007999100000000, -0.0003043300000000, -0.0006788000000000 ] - [ -0.0007999100000000, 0.0003043300000000, -0.0006788000000000 ] - [ 0.0000044700000000, 0.0000000000000000, -0.0002496900000000 ] - [ -0.0005353300000000, 0.0000000000000000, -0.0017373800000000 ] - [ 0.0001738300000000, -0.0001589400000000, -0.0010647500000000 ] - [ 0.0001738300000000, 0.0001589400000000, -0.0010647500000000 ] - [ -0.0007265900000000, 0.0001994600000000, -0.0015682900000000 ] - [ -0.0007265900000000, -0.0001994600000000, -0.0015682900000000 ] - [ -0.0008147800000000, 0.0000000000000000, 0.0001843200000000 ] - [ -0.0053322100000000, 0.0073704800000000, -0.0048484300000000 ] - [ -0.0053322100000000, -0.0073704800000000, -0.0048484300000000 ] - [ -0.0009624900000000, 0.0000000000000000, -0.0020311200000000 ] - [ -0.0056729600000000, 0.0000000000000000, -0.0010123000000000 ] - [ -0.0008844400000000, 0.0005827400000000, -0.0001367900000000 ] - [ -0.0008844400000000, -0.0005827400000000, -0.0001367900000000 ] - [ 0.0576167400000000, 0.0000000000000000, 0.1809582700000000 ] - [ 0.0003695800000000, 0.0005362500000000, 0.0021047400000000 ] - [ 0.0003695800000000, -0.0005362500000000, 0.0021047400000000 ] - [ -0.0453311800000000, 0.0000000000000000, -0.0468246700000000 ] - [ -0.0006047900000000, 0.0012768800000000, 0.0016557000000000 ] - [ -0.0006047900000000, -0.0012768800000000, 0.0016557000000000 ] - [ 0.0017801400000000, -0.0002452600000000, -0.0016456100000000 ] - [ 0.0017801400000000, 0.0002452600000000, -0.0016456100000000 ] - [ 0.0004339400000000, 0.0000000000000000, -0.0001862500000000 ] - [ 0.0007163300000000, 0.0000000000000000, -0.0017171700000000 ] - [ 0.0002675300000000, 0.0000217300000000, -0.0008851800000000 ] - [ 0.0002675300000000, -0.0000217300000000, -0.0008851800000000 ] - [ 0.0106198700000000, 0.0000000000000000, -0.0172102600000000 ] - [ -0.0010977100000000, -0.0008530600000000, -0.0005608100000000 ] - [ -0.0010977100000000, 0.0008530600000000, -0.0005608100000000 ] - [ 0.0007034900000000, 0.0011358500000000, -0.0023473500000000 ] - [ 0.0007034900000000, -0.0011358500000000, -0.0023473500000000 ] - [ 0.0009011400000000, 0.0000000000000000, -0.0008401700000000 ] - [ 0.0045499500000000, 0.0048609100000000, 0.0009073100000000 ] - [ 0.0045499500000000, -0.0048609100000000, 0.0009073100000000 ] - [ 0.0010175800000000, 0.0000000000000000, 0.0002289300000000 ] - [ 0.0030568000000000, 0.0000000000000000, 0.0182258300000000 ] - [ -0.0005515500000000, 0.0001890900000000, 0.0012268900000000 ] - [ -0.0005515500000000, -0.0001890900000000, 0.0012268900000000 ] - [ 0.0030532900000000, -0.0025797400000000, -0.0033980600000000 ] - [ 0.0030532900000000, 0.0025797400000000, -0.0033980600000000 ] - [ 0.0003300900000000, 0.0000000000000000, -0.0007579300000000 ] - [ -0.0000117700000000, -0.0005083400000000, -0.0024176600000000 ] - [ -0.0000117700000000, 0.0005083400000000, -0.0024176600000000 ] - [ -0.0002490700000000, 0.0000000000000000, -0.0004590000000000 ] - [ 0.0012533400000000, -0.0019244700000000, 0.0024193500000000 ] - [ 0.0012533400000000, 0.0019244700000000, 0.0024193500000000 ] - [ 0.0007023900000000, 0.0000000000000000, 0.0007521700000000 ] - [ 0.0001641700000000, 0.0000000000000000, 0.0003707600000000 ] - [ 0.0002816100000000, 0.0000946500000000, 0.0007059700000000 ] - [ 0.0002816100000000, -0.0000946500000000, 0.0007059700000000 ] - [ 0.0021627400000000, 0.0000000000000000, -0.0018312500000000 ] - [ 0.0015242200000000, -0.0007547900000000, -0.0017008800000000 ] - [ 0.0015242200000000, 0.0007547900000000, -0.0017008800000000 ] - [ 0.0000465700000000, 0.0002028400000000, 0.0013567000000000 ] - [ 0.0000465700000000, -0.0002028400000000, 0.0013567000000000 ] - [ -0.0003233000000000, 0.0000000000000000, 0.0008787800000000 ] - [ 0.0007460900000000, 0.0000000000000000, 0.0009053900000000 ] - [ -0.0001144800000000, 0.0003106000000000, 0.0005251600000000 ] - [ -0.0001144800000000, -0.0003106000000000, 0.0005251600000000 ] - [ -0.0001901100000000, 0.0000761100000000, -0.0026460700000000 ] - [ -0.0001901100000000, -0.0000761100000000, -0.0026460700000000 ] - [ -0.0000598300000000, 0.0000000000000000, -0.0016426500000000 ] - [ -0.0008014000000000, 0.0000000000000000, -0.0007009200000000 ] - [ -0.0009692000000000, -0.0000262900000000, -0.0004588900000000 ] - [ -0.0009692000000000, 0.0000262900000000, -0.0004588900000000 ] - [ -0.0008599000000000, -0.0014122200000000, -0.0015770500000000 ] - [ -0.0008599000000000, 0.0014122200000000, -0.0015770500000000 ] - [ 0.0005690400000000, 0.0000000000000000, -0.0001796400000000 ]- atom: 88 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0006829600000000, 0.0001374300000000, 0.0000735100000000 ] - [ -0.0006829600000000, -0.0001374300000000, 0.0000735100000000 ] - [ -0.0003690700000000, 0.0000000000000000, 0.0002307000000000 ] - [ -0.0080104800000000, 0.0000000000000000, -0.0024686500000000 ] - [ -0.0005468200000000, -0.0007170200000000, 0.0000112300000000 ] - [ -0.0005468200000000, 0.0007170200000000, 0.0000112300000000 ] - [ 0.0035812400000000, 0.0038396500000000, 0.0025054700000000 ] - [ 0.0035812400000000, -0.0038396500000000, 0.0025054700000000 ] - [ 0.0002972400000000, 0.0000000000000000, -0.0000520600000000 ] - [ 0.0005340600000000, 0.0000000000000000, -0.0001835700000000 ] - [ 0.0003708400000000, 0.0000638400000000, -0.0002809100000000 ] - [ 0.0003708400000000, -0.0000638400000000, -0.0002809100000000 ] - [ -0.0055729100000000, -0.0042220200000000, 0.0022032700000000 ] - [ -0.0055729100000000, 0.0042220200000000, 0.0022032700000000 ] - [ -0.0007437500000000, 0.0000000000000000, 0.0000854300000000 ] - [ 0.0002610800000000, -0.0001280900000000, -0.0008566800000000 ] - [ 0.0002610800000000, 0.0001280900000000, -0.0008566800000000 ] - [ 0.0003840700000000, 0.0000000000000000, -0.0004092600000000 ] - [ -0.0022596200000000, 0.0000000000000000, -0.0046283400000000 ] - [ -0.0009294000000000, 0.0004351800000000, 0.0003738700000000 ] - [ -0.0009294000000000, -0.0004351800000000, 0.0003738700000000 ] - [ -0.0003987800000000, 0.0000000000000000, -0.0016959300000000 ] - [ 0.0002002100000000, -0.0002991400000000, -0.0006792800000000 ] - [ 0.0002002100000000, 0.0002991400000000, -0.0006792800000000 ] - [ 0.0054197900000000, 0.0000000000000000, -0.0098494500000000 ] - [ 0.0008518000000000, -0.0008659000000000, -0.0004434800000000 ] - [ 0.0008518000000000, 0.0008659000000000, -0.0004434800000000 ] - [ -0.0009121300000000, 0.0001304700000000, 0.0014764200000000 ] - [ -0.0009121300000000, -0.0001304700000000, 0.0014764200000000 ] - [ -0.0004826700000000, 0.0000000000000000, 0.0000149800000000 ] - [ 0.0005373600000000, 0.0009387700000000, 0.0005827000000000 ] - [ 0.0005373600000000, -0.0009387700000000, 0.0005827000000000 ] - [ -0.0001783500000000, 0.0000000000000000, 0.0005273000000000 ] - [ -0.0009336100000000, -0.0037059800000000, 0.0025326000000000 ] - [ -0.0009336100000000, 0.0037059800000000, 0.0025326000000000 ] - [ 0.0010627100000000, 0.0000000000000000, -0.0002388300000000 ] - [ -0.0008280600000000, 0.0000000000000000, 0.0004531800000000 ] - [ -0.0005800500000000, 0.0000328000000000, 0.0005322500000000 ] - [ -0.0005800500000000, -0.0000328000000000, 0.0005322500000000 ] - [ 0.0299920800000000, 0.0000000000000000, 0.0080153800000000 ] - [ 0.0016848500000000, 0.0020776300000000, -0.0008294600000000 ] - [ 0.0016848500000000, -0.0020776300000000, -0.0008294600000000 ] - [ -0.0014392200000000, 0.0000000000000000, 0.0000794400000000 ] - [ -0.0009364400000000, -0.0003850900000000, 0.0003451600000000 ] - [ -0.0009364400000000, 0.0003850900000000, 0.0003451600000000 ] - [ -0.0013585800000000, -0.0001223300000000, -0.0008296500000000 ] - [ -0.0013585800000000, 0.0001223300000000, -0.0008296500000000 ] - [ -0.0007958800000000, 0.0000000000000000, 0.0001532700000000 ] - [ 0.0506605600000000, 0.0000000000000000, -0.0205065500000000 ] - [ 0.0018771000000000, -0.0006586900000000, -0.0001224800000000 ] - [ 0.0018771000000000, 0.0006586900000000, -0.0001224800000000 ] - [ -0.0036589300000000, 0.0006174900000000, 0.0015723900000000 ] - [ -0.0036589300000000, -0.0006174900000000, 0.0015723900000000 ] - [ -0.0006801300000000, 0.0000000000000000, -0.0002420100000000 ] - [ 0.0009393000000000, 0.0000000000000000, -0.0002300500000000 ] - [ 0.0008077000000000, 0.0000353800000000, -0.0002474900000000 ] - [ 0.0008077000000000, -0.0000353800000000, -0.0002474900000000 ] - [ -0.0000427200000000, 0.0000313100000000, -0.0015428500000000 ] - [ -0.0000427200000000, -0.0000313100000000, -0.0015428500000000 ] - [ -0.0001533100000000, 0.0000000000000000, -0.0003407900000000 ] - [ 0.0008411600000000, 0.0000000000000000, -0.0009171500000000 ] - [ 0.0000168100000000, -0.0004338800000000, -0.0010425900000000 ] - [ 0.0000168100000000, 0.0004338800000000, -0.0010425900000000 ] - [ 0.0019943500000000, 0.0000828800000000, 0.0002386400000000 ] - [ 0.0019943500000000, -0.0000828800000000, 0.0002386400000000 ] - [ 0.0015733100000000, 0.0000000000000000, -0.0000129600000000 ] - [ 0.0007685300000000, 0.0000000000000000, 0.0001560800000000 ] - [ 0.0004962100000000, 0.0001981800000000, -0.0000700100000000 ] - [ 0.0004962100000000, -0.0001981800000000, -0.0000700100000000 ] - [ 0.0001117100000000, 0.0006741600000000, 0.0008542300000000 ] - [ 0.0001117100000000, -0.0006741600000000, 0.0008542300000000 ] - [ -0.0000829100000000, 0.0000000000000000, 0.0003309000000000 ] - [ 0.0002008800000000, 0.0000000000000000, 0.0010542000000000 ] - [ 0.0003865500000000, -0.0000702700000000, 0.0002686300000000 ] - [ 0.0003865500000000, 0.0000702700000000, 0.0002686300000000 ] - [ -0.0002656800000000, -0.0000487800000000, 0.0010601700000000 ] - [ -0.0002656800000000, 0.0000487800000000, 0.0010601700000000 ] - [ -0.0003050700000000, 0.0000000000000000, 0.0005960600000000 ] - [ 0.0005020100000000, -0.0013338500000000, -0.0008498400000000 ] - [ 0.0005020100000000, 0.0013338500000000, -0.0008498400000000 ] - [ -0.0003600100000000, 0.0000000000000000, -0.0014619700000000 ] - [ 0.0179222100000000, 0.0000000000000000, 0.0028640300000000 ] - [ -0.0008249000000000, -0.0002401500000000, 0.0010346900000000 ] - [ -0.0008249000000000, 0.0002401500000000, 0.0010346900000000 ] - [ 0.0053049300000000, 0.0000000000000000, 0.0474527500000000 ] - [ -0.0005126500000000, 0.0007464300000000, -0.0003678600000000 ] - [ -0.0005126500000000, -0.0007464300000000, -0.0003678600000000 ] - [ -0.1142930200000000, 0.0000000000000000, 0.0096041500000000 ] - [ -0.0017178000000000, 0.0011608200000000, 0.0005659100000000 ] - [ -0.0017178000000000, -0.0011608200000000, 0.0005659100000000 ] - [ 0.0033644000000000, 0.0013207000000000, -0.0004029400000000 ] - [ 0.0033644000000000, -0.0013207000000000, -0.0004029400000000 ] - [ 0.0010992300000000, 0.0000000000000000, 0.0000474600000000 ] - [ 0.0013362200000000, 0.0000000000000000, 0.0008741700000000 ] - [ 0.0007452300000000, 0.0002158200000000, 0.0005706600000000 ] - [ 0.0007452300000000, -0.0002158200000000, 0.0005706600000000 ] - [ -0.0030013200000000, 0.0000000000000000, 0.0039839100000000 ] - [ -0.0004748800000000, 0.0001584800000000, 0.0002100100000000 ] - [ -0.0004748800000000, -0.0001584800000000, 0.0002100100000000 ] - [ 0.0007206500000000, -0.0002867600000000, -0.0001451700000000 ] - [ 0.0007206500000000, 0.0002867600000000, -0.0001451700000000 ] - [ 0.0003931500000000, 0.0000000000000000, -0.0000480700000000 ] - [ -0.0025687900000000, -0.0007897700000000, -0.0011499500000000 ] - [ -0.0025687900000000, 0.0007897700000000, -0.0011499500000000 ] - [ -0.0009309400000000, 0.0000000000000000, -0.0005780500000000 ] - [ 0.0124644900000000, 0.0000000000000000, -0.0364000900000000 ] - [ -0.0022163500000000, -0.0004515500000000, 0.0001656200000000 ] - [ -0.0022163500000000, 0.0004515500000000, 0.0001656200000000 ] - [ 0.0054338100000000, -0.0024463600000000, -0.0011991500000000 ] - [ 0.0054338100000000, 0.0024463600000000, -0.0011991500000000 ] - [ 0.0007924500000000, 0.0000000000000000, -0.0004875200000000 ] - [ 0.0018173300000000, -0.0015876400000000, -0.0018141000000000 ] - [ 0.0018173300000000, 0.0015876400000000, -0.0018141000000000 ] - [ 0.0000466200000000, 0.0000000000000000, 0.0005273800000000 ] - [ 0.0009318200000000, 0.0053970100000000, -0.0047387300000000 ] - [ 0.0009318200000000, -0.0053970100000000, -0.0047387300000000 ] - [ 0.0010245000000000, 0.0000000000000000, -0.0009877600000000 ] - [ 0.0002294300000000, 0.0000000000000000, 0.0013974500000000 ] - [ 0.0003223400000000, 0.0001363900000000, 0.0014934000000000 ] - [ 0.0003223400000000, -0.0001363900000000, 0.0014934000000000 ] - [ 0.0000747100000000, 0.0000000000000000, -0.0005539800000000 ] - [ 0.0002069700000000, 0.0001420000000000, -0.0004968600000000 ] - [ 0.0002069700000000, -0.0001420000000000, -0.0004968600000000 ] - [ -0.0000699300000000, -0.0000811400000000, -0.0009946900000000 ] - [ -0.0000699300000000, 0.0000811400000000, -0.0009946900000000 ] - [ -0.0003372800000000, 0.0000000000000000, -0.0003090300000000 ] - [ 0.0015092100000000, 0.0000000000000000, -0.0005878700000000 ] - [ 0.0014763400000000, -0.0011724900000000, -0.0005009200000000 ] - [ 0.0014763400000000, 0.0011724900000000, -0.0005009200000000 ] - [ -0.0002777100000000, -0.0001633500000000, 0.0005477700000000 ] - [ -0.0002777100000000, 0.0001633500000000, 0.0005477700000000 ] - [ -0.0001282500000000, 0.0000000000000000, -0.0000884100000000 ] - [ -0.0016510700000000, 0.0000000000000000, 0.0000833000000000 ] - [ -0.0015394700000000, -0.0000430000000000, 0.0000394800000000 ] - [ -0.0015394700000000, 0.0000430000000000, 0.0000394800000000 ] - [ -0.0010636000000000, 0.0015630100000000, 0.0021015500000000 ] - [ -0.0010636000000000, -0.0015630100000000, 0.0021015500000000 ] - [ 0.0005335200000000, 0.0000000000000000, 0.0012378600000000 ]- atom: 88 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0002830200000000, -0.0001384700000000, 0.0001799800000000 ] - [ 0.0002830200000000, 0.0001384700000000, 0.0001799800000000 ] - [ -0.0000336100000000, 0.0000000000000000, 0.0000216500000000 ] - [ 0.0077753000000000, 0.0000000000000000, 0.0028718100000000 ] - [ 0.0003269700000000, 0.0007169400000000, 0.0004486500000000 ] - [ 0.0003269700000000, -0.0007169400000000, 0.0004486500000000 ] - [ -0.0033492700000000, -0.0038636600000000, -0.0030202500000000 ] - [ -0.0033492700000000, 0.0038636600000000, -0.0030202500000000 ] - [ -0.0000718000000000, 0.0000000000000000, -0.0004307000000000 ] - [ -0.0001316800000000, 0.0000000000000000, -0.0000661700000000 ] - [ 0.0000308400000000, -0.0000653700000000, 0.0000286700000000 ] - [ 0.0000308400000000, 0.0000653700000000, 0.0000286700000000 ] - [ 0.0057695800000000, 0.0042723500000000, -0.0013634900000000 ] - [ 0.0057695800000000, -0.0042723500000000, -0.0013634900000000 ] - [ 0.0009324600000000, 0.0000000000000000, 0.0007808700000000 ] - [ 0.0007594800000000, 0.0001320100000000, 0.0006330300000000 ] - [ 0.0007594800000000, -0.0001320100000000, 0.0006330300000000 ] - [ 0.0006354300000000, 0.0000000000000000, 0.0001798600000000 ] - [ 0.0023823600000000, 0.0000000000000000, 0.0065319300000000 ] - [ 0.0010443300000000, -0.0004474400000000, 0.0014774600000000 ] - [ 0.0010443300000000, 0.0004474400000000, 0.0014774600000000 ] - [ 0.0014295800000000, 0.0000000000000000, 0.0008377300000000 ] - [ 0.0008272700000000, 0.0002992000000000, -0.0001869300000000 ] - [ 0.0008272700000000, -0.0002992000000000, -0.0001869300000000 ] - [ -0.0044264200000000, 0.0000000000000000, 0.0100828200000000 ] - [ 0.0001645200000000, 0.0008752800000000, 0.0005633400000000 ] - [ 0.0001645200000000, -0.0008752800000000, 0.0005633400000000 ] - [ -0.0001026900000000, -0.0001265800000000, -0.0015746800000000 ] - [ -0.0001026900000000, 0.0001265800000000, -0.0015746800000000 ] - [ -0.0005319100000000, 0.0000000000000000, -0.0001187100000000 ] - [ -0.0015665800000000, -0.0009417600000000, 0.0003047900000000 ] - [ -0.0015665800000000, 0.0009417600000000, 0.0003047900000000 ] - [ -0.0008491000000000, 0.0000000000000000, 0.0003548800000000 ] - [ 0.0007735400000000, 0.0036688100000000, -0.0043607800000000 ] - [ 0.0007735400000000, -0.0036688100000000, -0.0043607800000000 ] - [ -0.0011810700000000, 0.0000000000000000, -0.0016096400000000 ] - [ -0.0001941900000000, 0.0000000000000000, -0.0002134300000000 ] - [ -0.0004421900000000, -0.0000303300000000, -0.0002928400000000 ] - [ -0.0004421900000000, 0.0000303300000000, -0.0002928400000000 ] - [ -0.0325236400000000, 0.0000000000000000, -0.0094423000000000 ] - [ -0.0018987500000000, -0.0020832000000000, -0.0000576500000000 ] - [ -0.0018987500000000, 0.0020832000000000, -0.0000576500000000 ] - [ 0.0013036000000000, 0.0000000000000000, -0.0003814900000000 ] - [ 0.0007959100000000, 0.0003839800000000, -0.0006456500000000 ] - [ 0.0007959100000000, -0.0003839800000000, -0.0006456500000000 ] - [ 0.0003792100000000, 0.0001232400000000, 0.0013729200000000 ] - [ 0.0003792100000000, -0.0001232400000000, 0.0013729200000000 ] - [ -0.0001859400000000, 0.0000000000000000, 0.0003840800000000 ] - [ -0.0503627100000000, 0.0000000000000000, 0.0200199700000000 ] - [ -0.0016536600000000, 0.0006664500000000, 0.0007289300000000 ] - [ -0.0016536600000000, -0.0006664500000000, 0.0007289300000000 ] - [ 0.0034417200000000, -0.0006131300000000, -0.0021684300000000 ] - [ 0.0034417200000000, 0.0006131300000000, -0.0021684300000000 ] - [ 0.0004583900000000, 0.0000000000000000, -0.0003620500000000 ] - [ 0.0000415700000000, 0.0000000000000000, -0.0002902600000000 ] - [ 0.0001729400000000, -0.0000352100000000, -0.0002755800000000 ] - [ 0.0001729400000000, 0.0000352100000000, -0.0002755800000000 ] - [ 0.0001599300000000, -0.0000337100000000, 0.0018442900000000 ] - [ 0.0001599300000000, 0.0000337100000000, 0.0018442900000000 ] - [ 0.0002741700000000, 0.0000000000000000, 0.0006316700000000 ] - [ -0.0023472600000000, 0.0000000000000000, -0.0004198900000000 ] - [ -0.0015185700000000, 0.0004434500000000, -0.0002973400000000 ] - [ -0.0015185700000000, -0.0004434500000000, -0.0002973400000000 ] - [ 0.0005318200000000, -0.0000825200000000, -0.0002810600000000 ] - [ 0.0005318200000000, 0.0000825200000000, -0.0002810600000000 ] - [ 0.0009544900000000, 0.0000000000000000, -0.0000273600000000 ] - [ -0.0005722000000000, 0.0000000000000000, 0.0008369100000000 ] - [ -0.0002967100000000, -0.0001988100000000, 0.0010626600000000 ] - [ -0.0002967100000000, 0.0001988100000000, 0.0010626600000000 ] - [ -0.0006014200000000, -0.0006854300000000, -0.0004838700000000 ] - [ -0.0006014200000000, 0.0006854300000000, -0.0004838700000000 ] - [ -0.0004012100000000, 0.0000000000000000, 0.0000478900000000 ] - [ 0.0002361100000000, 0.0000000000000000, -0.0010900100000000 ] - [ 0.0000455300000000, 0.0000721000000000, -0.0002943000000000 ] - [ 0.0000455300000000, -0.0000721000000000, -0.0002943000000000 ] - [ -0.0007929900000000, 0.0000482400000000, 0.0001189400000000 ] - [ -0.0007929900000000, -0.0000482400000000, 0.0001189400000000 ] - [ -0.0007531700000000, 0.0000000000000000, 0.0005861100000000 ] - [ -0.0016095200000000, 0.0013391000000000, -0.0022764700000000 ] - [ -0.0016095200000000, -0.0013391000000000, -0.0022764700000000 ] - [ -0.0007441800000000, 0.0000000000000000, -0.0016583800000000 ] - [ -0.0198083800000000, 0.0000000000000000, -0.0016742200000000 ] - [ -0.0008012100000000, 0.0002459800000000, 0.0001861400000000 ] - [ -0.0008012100000000, -0.0002459800000000, 0.0001861400000000 ] - [ -0.0051548300000000, 0.0000000000000000, -0.0484605200000000 ] - [ 0.0008550100000000, -0.0007538100000000, -0.0006419700000000 ] - [ 0.0008550100000000, 0.0007538100000000, -0.0006419700000000 ] - [ 0.1162533800000000, 0.0000000000000000, -0.0073587200000000 ] - [ 0.0011299300000000, -0.0011756600000000, 0.0004322000000000 ] - [ 0.0011299300000000, 0.0011756600000000, 0.0004322000000000 ] - [ -0.0023100100000000, -0.0013349100000000, 0.0006659800000000 ] - [ -0.0023100100000000, 0.0013349100000000, 0.0006659800000000 ] - [ -0.0000413400000000, 0.0000000000000000, 0.0002254300000000 ] - [ -0.0006615500000000, 0.0000000000000000, -0.0001198700000000 ] - [ -0.0000630000000000, -0.0002144400000000, 0.0001887700000000 ] - [ -0.0000630000000000, 0.0002144400000000, 0.0001887700000000 ] - [ 0.0021030900000000, 0.0000000000000000, -0.0039859600000000 ] - [ -0.0004305200000000, -0.0001594600000000, -0.0001966500000000 ] - [ -0.0004305200000000, 0.0001594600000000, -0.0001966500000000 ] - [ 0.0001840500000000, 0.0002860200000000, 0.0001169400000000 ] - [ 0.0001840500000000, -0.0002860200000000, 0.0001169400000000 ] - [ 0.0005116100000000, 0.0000000000000000, 0.0000226400000000 ] - [ 0.0018962000000000, 0.0007966200000000, 0.0003775300000000 ] - [ 0.0018962000000000, -0.0007966200000000, 0.0003775300000000 ] - [ 0.0002513000000000, 0.0000000000000000, -0.0001893100000000 ] - [ -0.0133904200000000, 0.0000000000000000, 0.0364717000000000 ] - [ 0.0011607800000000, 0.0004484800000000, -0.0004298700000000 ] - [ 0.0011607800000000, -0.0004484800000000, -0.0004298700000000 ] - [ -0.0048289200000000, 0.0024277900000000, 0.0002114500000000 ] - [ -0.0048289200000000, -0.0024277900000000, 0.0002114500000000 ] - [ -0.0002011900000000, 0.0000000000000000, -0.0005050200000000 ] - [ -0.0021700300000000, 0.0015870400000000, 0.0028193000000000 ] - [ -0.0021700300000000, -0.0015870400000000, 0.0028193000000000 ] - [ -0.0003927200000000, 0.0000000000000000, 0.0004820600000000 ] - [ 0.0007426100000000, -0.0054181800000000, 0.0035678200000000 ] - [ 0.0007426100000000, 0.0054181800000000, 0.0035678200000000 ] - [ 0.0006109700000000, 0.0000000000000000, -0.0002246300000000 ] - [ 0.0008691000000000, 0.0000000000000000, 0.0017116500000000 ] - [ 0.0007769400000000, -0.0001352400000000, 0.0016181900000000 ] - [ 0.0007769400000000, 0.0001352400000000, 0.0016181900000000 ] - [ 0.0009873900000000, 0.0000000000000000, -0.0006394300000000 ] - [ 0.0008548900000000, -0.0001433500000000, -0.0006951900000000 ] - [ 0.0008548900000000, 0.0001433500000000, -0.0006951900000000 ] - [ -0.0003601100000000, 0.0000800400000000, 0.0010096700000000 ] - [ -0.0003601100000000, -0.0000800400000000, 0.0010096700000000 ] - [ -0.0000955300000000, 0.0000000000000000, 0.0003288600000000 ] - [ -0.0010055200000000, 0.0000000000000000, 0.0002125300000000 ] - [ -0.0009696700000000, 0.0011649700000000, 0.0001263300000000 ] - [ -0.0009696700000000, -0.0011649700000000, 0.0001263300000000 ] - [ 0.0000806600000000, 0.0001653800000000, -0.0015466900000000 ] - [ 0.0000806600000000, -0.0001653800000000, -0.0015466900000000 ] - [ -0.0000698100000000, 0.0000000000000000, -0.0009025700000000 ] - [ -0.0008746700000000, 0.0000000000000000, -0.0000505400000000 ] - [ -0.0009858100000000, 0.0000439100000000, -0.0000056000000000 ] - [ -0.0009858100000000, -0.0000439100000000, -0.0000056000000000 ] - [ 0.0025756300000000, -0.0015925100000000, -0.0007500000000000 ] - [ 0.0025756300000000, 0.0015925100000000, -0.0007500000000000 ] - [ 0.0009723900000000, 0.0000000000000000, 0.0001207500000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001716000000000, 0.0000105700000000, 0.0001156700000000 ] - [ -0.0002328200000000, 0.0000118600000000, 0.0001306600000000 ] - [ -0.0002045000000000, -0.0000067700000000, 0.0001207800000000 ] - [ -0.0001068100000000, 0.0019637900000000, 0.0002235000000000 ] - [ -0.0006195800000000, -0.0005170200000000, -0.0000135000000000 ] - [ 0.0003837800000000, -0.0005159600000000, 0.0004745300000000 ] - [ 0.0013986300000000, -0.0004190400000000, -0.0043019800000000 ] - [ -0.0011341400000000, -0.0001287300000000, 0.0036784100000000 ] - [ 0.0001124700000000, -0.0012535600000000, -0.0002262700000000 ] - [ 0.0002030500000000, 0.0003658600000000, -0.0001213900000000 ] - [ 0.0002236100000000, -0.0001763500000000, 0.0000418600000000 ] - [ 0.0001821100000000, -0.0001754400000000, -0.0002851400000000 ] - [ 0.0012342500000000, 0.0002422100000000, 0.0007971200000000 ] - [ -0.0010502500000000, 0.0002693200000000, 0.0000796500000000 ] - [ 0.0000958900000000, -0.0007207600000000, 0.0004329700000000 ] - [ 0.0002596800000000, 0.0001481500000000, -0.0004809000000000 ] - [ 0.0007649700000000, 0.0001498300000000, 0.0002549200000000 ] - [ 0.0005110100000000, -0.0002894600000000, -0.0001146700000000 ] - [ 0.0000554900000000, 0.0014416300000000, 0.0009106600000000 ] - [ 0.0000062800000000, -0.0006652600000000, 0.0012192300000000 ] - [ 0.0001069800000000, -0.0006665800000000, 0.0006302300000000 ] - [ 0.0005146700000000, 0.0002925300000000, -0.0004307200000000 ] - [ 0.0004784400000000, -0.0001454500000000, -0.0003372000000000 ] - [ 0.0005469200000000, -0.0001477300000000, -0.0005321200000000 ] - [ 0.0005016200000000, -0.0008639000000000, 0.0001007500000000 ] - [ 0.0006929800000000, -0.0000354600000000, -0.0008617500000000 ] - [ 0.0003251400000000, -0.0000501400000000, 0.0009549800000000 ] - [ -0.0001117500000000, 0.0002989600000000, -0.0016624400000000 ] - [ -0.0009082100000000, 0.0002997600000000, 0.0015707000000000 ] - [ -0.0005086600000000, -0.0005666100000000, -0.0000490200000000 ] - [ -0.0006246000000000, 0.0000822600000000, 0.0002499800000000 ] - [ -0.0004051800000000, 0.0000910000000000, 0.0006359400000000 ] - [ -0.0005127100000000, -0.0001632400000000, 0.0004383000000000 ] - [ -0.0000154300000000, 0.0010976500000000, -0.0001876700000000 ] - [ -0.0001212300000000, 0.0011542100000000, -0.0016690800000000 ] - [ -0.0000483500000000, -0.0004777900000000, -0.0009311800000000 ] - [ -0.0005102100000000, -0.0000695600000000, 0.0001201500000000 ] - [ -0.0005657500000000, 0.0000332100000000, 0.0002529200000000 ] - [ -0.0004545300000000, 0.0000283600000000, -0.0000141000000000 ] - [ 0.0000065900000000, 0.0147793400000000, -0.0004437200000000 ] - [ 0.0035997300000000, -0.0025591600000000, -0.0009614800000000 ] - [ -0.0037397400000000, -0.0025371400000000, 0.0000834200000000 ] - [ -0.0000650000000000, -0.0001118700000000, -0.0001467500000000 ] - [ -0.0006577600000000, -0.0001230400000000, -0.0002587200000000 ] - [ 0.0005256700000000, -0.0001187400000000, -0.0000358700000000 ] - [ -0.0004499100000000, 0.0000217400000000, 0.0003101300000000 ] - [ -0.0005290000000000, 0.0000199900000000, 0.0002311200000000 ] - [ -0.0004915700000000, 0.0000159200000000, 0.0002665900000000 ] - [ 0.0001563100000000, 0.0539991700000000, -0.0004948100000000 ] - [ 0.0004091300000000, -0.0012757800000000, -0.0030826100000000 ] - [ -0.0001801800000000, -0.0012572400000000, 0.0036373700000000 ] - [ 0.0016785600000000, -0.0000017400000000, -0.0008895900000000 ] - [ -0.0019214600000000, -0.0000015500000000, 0.0002861300000000 ] - [ -0.0001156900000000, -0.0001731900000000, -0.0003001900000000 ] - [ 0.0004912300000000, -0.0000475100000000, -0.0002601400000000 ] - [ 0.0005384300000000, 0.0000254100000000, -0.0000910900000000 ] - [ 0.0004441200000000, 0.0000257700000000, -0.0004325400000000 ] - [ -0.0011668500000000, 0.0003280800000000, -0.0016440100000000 ] - [ 0.0013111500000000, 0.0003308100000000, 0.0019518000000000 ] - [ 0.0000658700000000, 0.0000138300000000, 0.0001506200000000 ] - [ -0.0007526400000000, -0.0004110000000000, -0.0006760000000000 ] - [ -0.0003858700000000, 0.0002486000000000, -0.0004127000000000 ] - [ -0.0011112200000000, 0.0002522000000000, -0.0009399400000000 ] - [ 0.0011999600000000, 0.0000060300000000, 0.0000269600000000 ] - [ 0.0013259000000000, 0.0000057200000000, -0.0000685000000000 ] - [ 0.0012644900000000, -0.0000164600000000, -0.0000198600000000 ] - [ 0.0000984900000000, 0.0000189100000000, 0.0004949200000000 ] - [ 0.0002379600000000, 0.0000234800000000, 0.0004491500000000 ] - [ -0.0000391300000000, 0.0000228300000000, 0.0005417800000000 ] - [ 0.0012047300000000, -0.0002932900000000, 0.0006015200000000 ] - [ -0.0017108100000000, -0.0002976700000000, -0.0002248100000000 ] - [ -0.0002474600000000, 0.0003539400000000, 0.0001886900000000 ] - [ 0.0002143400000000, -0.0002421700000000, -0.0000107700000000 ] - [ 0.0002743800000000, 0.0001111500000000, -0.0001512700000000 ] - [ 0.0001589000000000, 0.0001117000000000, 0.0001273600000000 ] - [ -0.0004594100000000, -0.0000512400000000, 0.0006084200000000 ] - [ -0.0005996100000000, -0.0000518400000000, 0.0005728700000000 ] - [ -0.0005295600000000, 0.0000894200000000, 0.0005923900000000 ] - [ -0.0006711600000000, 0.0000340600000000, -0.0016256900000000 ] - [ -0.0004375800000000, 0.0000218100000000, -0.0014966700000000 ] - [ -0.0005507000000000, 0.0001512700000000, -0.0015590300000000 ] - [ -0.0007732500000000, 0.0001716400000000, 0.0006169400000000 ] - [ -0.0014011000000000, 0.0002829300000000, 0.0006118500000000 ] - [ -0.0002418900000000, 0.0002860400000000, 0.0006108900000000 ] - [ 0.0001308600000000, -0.0160548400000000, -0.0006438300000000 ] - [ 0.0006077800000000, 0.0003443400000000, 0.0009310000000000 ] - [ -0.0002574800000000, 0.0003442700000000, -0.0019157200000000 ] - [ -0.0005401900000000, -0.0354616800000000, 0.0017734400000000 ] - [ -0.0014889100000000, 0.0044124600000000, 0.0018692900000000 ] - [ 0.0008817900000000, 0.0043587800000000, -0.0008562000000000 ] - [ -0.0007624700000000, -0.0002172700000000, 0.0008655100000000 ] - [ 0.0018367500000000, -0.0002226600000000, -0.0005966200000000 ] - [ 0.0005337300000000, 0.0003285300000000, 0.0001338400000000 ] - [ 0.0003445600000000, -0.0004803400000000, 0.0003799800000000 ] - [ 0.0003339400000000, 0.0002434000000000, 0.0002257000000000 ] - [ 0.0003507200000000, 0.0002436800000000, 0.0005351900000000 ] - [ -0.0004437900000000, -0.0001666200000000, -0.0000059900000000 ] - [ -0.0006498500000000, 0.0000272100000000, 0.0001351600000000 ] - [ -0.0002588600000000, 0.0000303900000000, -0.0001152200000000 ] - [ 0.0001972500000000, -0.0000842500000000, 0.0003820100000000 ] - [ 0.0007090400000000, -0.0000870200000000, -0.0004119100000000 ] - [ 0.0004536700000000, 0.0001549600000000, -0.0000125200000000 ] - [ -0.0000814900000000, -0.0001609100000000, -0.0000319900000000 ] - [ -0.0005976800000000, -0.0001797800000000, -0.0007389200000000 ] - [ -0.0003400500000000, 0.0003190000000000, -0.0003807400000000 ] - [ -0.0004239500000000, -0.0189298800000000, -0.0002785200000000 ] - [ -0.0020072000000000, 0.0001499500000000, 0.0011093800000000 ] - [ 0.0009210500000000, 0.0001518600000000, -0.0013564300000000 ] - [ -0.0021330600000000, 0.0003779000000000, -0.0003871400000000 ] - [ 0.0027445600000000, 0.0003727200000000, -0.0006028300000000 ] - [ 0.0002996200000000, 0.0004281600000000, -0.0004986400000000 ] - [ -0.0021246100000000, 0.0003749400000000, 0.0026770900000000 ] - [ 0.0018000400000000, 0.0003734200000000, -0.0016825400000000 ] - [ -0.0001696000000000, 0.0003991300000000, 0.0005015000000000 ] - [ 0.0008922400000000, -0.0023975900000000, 0.0006836200000000 ] - [ 0.0007148500000000, -0.0024163200000000, -0.0018981100000000 ] - [ 0.0008134500000000, 0.0013156100000000, -0.0006046100000000 ] - [ 0.0005492600000000, -0.0004211900000000, 0.0015543500000000 ] - [ 0.0004986300000000, 0.0002053600000000, 0.0014393100000000 ] - [ 0.0006014000000000, 0.0002048800000000, 0.0016722100000000 ] - [ 0.0005314100000000, 0.0000111600000000, -0.0005967700000000 ] - [ 0.0005439800000000, -0.0000046400000000, -0.0006923200000000 ] - [ 0.0005171900000000, -0.0000021400000000, -0.0004997300000000 ] - [ -0.0003035100000000, 0.0000892300000000, 0.0003061200000000 ] - [ -0.0001273500000000, 0.0000888800000000, -0.0002894600000000 ] - [ -0.0002182300000000, -0.0000434700000000, 0.0000122100000000 ] - [ 0.0002482600000000, -0.0000509700000000, -0.0001894700000000 ] - [ 0.0011274100000000, -0.0005930300000000, -0.0001562100000000 ] - [ -0.0006254300000000, -0.0005780500000000, -0.0002198500000000 ] - [ -0.0000008300000000, -0.0000674100000000, 0.0005830700000000 ] - [ -0.0002011700000000, -0.0000682100000000, -0.0015890600000000 ] - [ -0.0001000300000000, 0.0000997800000000, -0.0004982300000000 ] - [ -0.0012637800000000, -0.0000936200000000, 0.0000166400000000 ] - [ -0.0013131400000000, 0.0000497500000000, -0.0000684400000000 ] - [ -0.0012147400000000, 0.0000497500000000, 0.0001025900000000 ] - [ 0.0054516000000000, 0.0001953500000000, 0.0035664300000000 ] - [ -0.0040043000000000, 0.0002106400000000, -0.0022608100000000 ] - [ 0.0007476000000000, 0.0007189000000000, 0.0006742400000000 ]- atom: 88 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0005748500000000, 0.0001660500000000, 0.0000034600000000 ] - [ -0.0005748500000000, -0.0001660500000000, 0.0000034600000000 ] - [ -0.0002501800000000, 0.0000000000000000, 0.0001581800000000 ] - [ -0.0008816100000000, 0.0000000000000000, 0.0049748000000000 ] - [ -0.0001911000000000, 0.0000741500000000, 0.0010326200000000 ] - [ -0.0001911000000000, -0.0000741500000000, 0.0010326200000000 ] - [ 0.0006793100000000, -0.0057787000000000, 0.0010465900000000 ] - [ 0.0006793100000000, 0.0057787000000000, 0.0010465900000000 ] - [ 0.0001396800000000, 0.0000000000000000, -0.0001070800000000 ] - [ -0.0000473100000000, 0.0000000000000000, -0.0013275800000000 ] - [ 0.0002165200000000, 0.0002813400000000, -0.0005926700000000 ] - [ 0.0002165200000000, -0.0002813400000000, -0.0005926700000000 ] - [ 0.0007867700000000, -0.0005729300000000, 0.0027258000000000 ] - [ 0.0007867700000000, 0.0005729300000000, 0.0027258000000000 ] - [ 0.0000935600000000, 0.0000000000000000, 0.0018253100000000 ] - [ -0.0001000600000000, -0.0001118000000000, -0.0020300000000000 ] - [ -0.0001000600000000, 0.0001118000000000, -0.0020300000000000 ] - [ 0.0003863900000000, 0.0000000000000000, -0.0011966400000000 ] - [ -0.0001210200000000, 0.0000000000000000, -0.0005981600000000 ] - [ -0.0000155300000000, 0.0009392700000000, 0.0004607500000000 ] - [ -0.0000155300000000, -0.0009392700000000, 0.0004607500000000 ] - [ 0.0000349400000000, 0.0000000000000000, -0.0030329000000000 ] - [ 0.0004583700000000, -0.0000771200000000, -0.0019103900000000 ] - [ 0.0004583700000000, 0.0000771200000000, -0.0019103900000000 ] - [ 0.0020984700000000, 0.0000000000000000, -0.0143894300000000 ] - [ 0.0001068600000000, -0.0019948200000000, -0.0002070700000000 ] - [ 0.0001068600000000, 0.0019948200000000, -0.0002070700000000 ] - [ 0.0004737200000000, -0.0005134900000000, -0.0040265000000000 ] - [ 0.0004737200000000, 0.0005134900000000, -0.0040265000000000 ] - [ -0.0004226000000000, 0.0000000000000000, -0.0012168300000000 ] - [ 0.0000146000000000, 0.0008618200000000, -0.0019380900000000 ] - [ 0.0000146000000000, -0.0008618200000000, -0.0019380900000000 ] - [ -0.0004240400000000, 0.0000000000000000, -0.0005403600000000 ] - [ 0.0074494500000000, 0.0088726200000000, -0.0006807900000000 ] - [ 0.0074494500000000, -0.0088726200000000, -0.0006807900000000 ] - [ -0.0005306100000000, 0.0000000000000000, 0.0006195800000000 ] - [ -0.0002143300000000, 0.0000000000000000, -0.0008675900000000 ] - [ -0.0002848300000000, -0.0005493300000000, -0.0006973700000000 ] - [ -0.0002848300000000, 0.0005493300000000, -0.0006973700000000 ] - [ -0.0173376800000000, 0.0000000000000000, 0.0161127700000000 ] - [ -0.0012918800000000, 0.0021544100000000, 0.0020432000000000 ] - [ -0.0012918800000000, -0.0021544100000000, 0.0020432000000000 ] - [ 0.0013604000000000, 0.0000000000000000, 0.0006950500000000 ] - [ 0.0017362400000000, 0.0005486200000000, 0.0005858700000000 ] - [ 0.0017362400000000, -0.0005486200000000, 0.0005858700000000 ] - [ -0.0009882000000000, -0.0001886100000000, -0.0018167800000000 ] - [ -0.0009882000000000, 0.0001886100000000, -0.0018167800000000 ] - [ -0.0005212500000000, 0.0000000000000000, -0.0008523900000000 ] - [ -0.0181229200000000, 0.0000000000000000, 0.2516901900000000 ] - [ 0.0001944900000000, -0.0001463800000000, 0.0033504300000000 ] - [ 0.0001944900000000, 0.0001463800000000, 0.0033504300000000 ] - [ 0.0031120600000000, -0.0004713700000000, 0.0012243400000000 ] - [ 0.0031120600000000, 0.0004713700000000, 0.0012243400000000 ] - [ -0.0000221200000000, 0.0000000000000000, 0.0001158100000000 ] - [ 0.0004898400000000, 0.0000000000000000, -0.0023532700000000 ] - [ 0.0005984900000000, 0.0000148700000000, -0.0016979000000000 ] - [ 0.0005984900000000, -0.0000148700000000, -0.0016979000000000 ] - [ -0.0017038500000000, 0.0004910700000000, -0.0032506400000000 ] - [ -0.0017038500000000, -0.0004910700000000, -0.0032506400000000 ] - [ 0.0001697000000000, 0.0000000000000000, -0.0003114200000000 ] - [ -0.0006212100000000, 0.0000000000000000, -0.0023417500000000 ] - [ -0.0013960400000000, -0.0003388100000000, -0.0021576900000000 ] - [ -0.0013960400000000, 0.0003388100000000, -0.0021576900000000 ] - [ 0.0014309300000000, -0.0000474400000000, 0.0008463000000000 ] - [ 0.0014309300000000, 0.0000474400000000, 0.0008463000000000 ] - [ 0.0011455900000000, 0.0000000000000000, 0.0005192600000000 ] - [ 0.0001804200000000, 0.0000000000000000, 0.0005472800000000 ] - [ -0.0000187800000000, 0.0000341100000000, 0.0004177100000000 ] - [ -0.0000187800000000, -0.0000341100000000, 0.0004177100000000 ] - [ 0.0017681100000000, 0.0000786100000000, 0.0009741400000000 ] - [ 0.0017681100000000, -0.0000786100000000, 0.0009741400000000 ] - [ -0.0004451300000000, 0.0000000000000000, 0.0002769700000000 ] - [ 0.0004225200000000, 0.0000000000000000, 0.0010520500000000 ] - [ 0.0003286100000000, -0.0001116100000000, 0.0006131200000000 ] - [ 0.0003286100000000, 0.0001116100000000, 0.0006131200000000 ] - [ -0.0006001800000000, 0.0000149400000000, 0.0018963100000000 ] - [ -0.0006001800000000, -0.0000149400000000, 0.0018963100000000 ] - [ -0.0006577800000000, 0.0000000000000000, 0.0013951600000000 ] - [ 0.0006543600000000, -0.0012866500000000, -0.0001664700000000 ] - [ 0.0006543600000000, 0.0012866500000000, -0.0001664700000000 ] - [ -0.0000798400000000, 0.0000000000000000, -0.0006981900000000 ] - [ 0.0023758800000000, 0.0000000000000000, 0.0013680300000000 ] - [ -0.0006722700000000, -0.0001803900000000, 0.0001898700000000 ] - [ -0.0006722700000000, 0.0001803900000000, 0.0001898700000000 ] - [ 0.0275647700000000, 0.0000000000000000, 0.0426091100000000 ] - [ -0.0003815400000000, 0.0005948900000000, -0.0018804500000000 ] - [ -0.0003815400000000, -0.0005948900000000, -0.0018804500000000 ] - [ 0.0395223500000000, 0.0000000000000000, -0.3560825800000000 ] - [ 0.0001347200000000, -0.0016181100000000, -0.0019116000000000 ] - [ 0.0001347200000000, 0.0016181100000000, -0.0019116000000000 ] - [ -0.0009374100000000, 0.0002764300000000, 0.0000347500000000 ] - [ -0.0009374100000000, -0.0002764300000000, 0.0000347500000000 ] - [ 0.0006016000000000, 0.0000000000000000, -0.0002489500000000 ] - [ -0.0000921400000000, 0.0000000000000000, 0.0016365800000000 ] - [ 0.0000166500000000, -0.0003330700000000, 0.0012426400000000 ] - [ 0.0000166500000000, 0.0003330700000000, 0.0012426400000000 ] - [ -0.0022983600000000, 0.0000000000000000, 0.0046116700000000 ] - [ -0.0001811500000000, 0.0003439800000000, 0.0010274700000000 ] - [ -0.0001811500000000, -0.0003439800000000, 0.0010274700000000 ] - [ 0.0002350500000000, -0.0001816200000000, 0.0019796400000000 ] - [ 0.0002350500000000, 0.0001816200000000, 0.0019796400000000 ] - [ 0.0004032000000000, 0.0000000000000000, 0.0009368800000000 ] - [ -0.0011064400000000, -0.0023783800000000, 0.0012775400000000 ] - [ -0.0011064400000000, 0.0023783800000000, 0.0012775400000000 ] - [ -0.0009250900000000, 0.0000000000000000, -0.0001751800000000 ] - [ -0.0492191400000000, 0.0000000000000000, 0.0507428600000000 ] - [ 0.0001146900000000, 0.0007421600000000, -0.0022605000000000 ] - [ 0.0001146900000000, -0.0007421600000000, -0.0022605000000000 ] - [ -0.0015752600000000, 0.0006808000000000, -0.0022753100000000 ] - [ -0.0015752600000000, -0.0006808000000000, -0.0022753100000000 ] - [ 0.0001946100000000, 0.0000000000000000, -0.0009865100000000 ] - [ -0.0038828200000000, 0.0023257500000000, 0.0031858000000000 ] - [ -0.0038828200000000, -0.0023257500000000, 0.0031858000000000 ] - [ -0.0003759300000000, 0.0000000000000000, 0.0007295400000000 ] - [ 0.0000311400000000, 0.0026710300000000, -0.0056281700000000 ] - [ 0.0000311400000000, -0.0026710300000000, -0.0056281700000000 ] - [ 0.0012015500000000, 0.0000000000000000, -0.0025486900000000 ] - [ 0.0010379400000000, 0.0000000000000000, 0.0029840200000000 ] - [ 0.0009153800000000, -0.0003017800000000, 0.0024841000000000 ] - [ 0.0009153800000000, 0.0003017800000000, 0.0024841000000000 ] - [ -0.0001010500000000, 0.0000000000000000, 0.0007917300000000 ] - [ 0.0000808800000000, 0.0003198800000000, 0.0004332100000000 ] - [ 0.0000808800000000, -0.0003198800000000, 0.0004332100000000 ] - [ -0.0007525800000000, 0.0000848900000000, 0.0012285800000000 ] - [ -0.0007525800000000, -0.0000848900000000, 0.0012285800000000 ] - [ -0.0000165900000000, 0.0000000000000000, 0.0000325900000000 ] - [ -0.0014815500000000, 0.0000000000000000, -0.0004619700000000 ] - [ -0.0023815900000000, 0.0022785200000000, -0.0009088900000000 ] - [ -0.0023815900000000, -0.0022785200000000, -0.0009088900000000 ] - [ 0.0002007100000000, 0.0000968700000000, 0.0017997600000000 ] - [ 0.0002007100000000, -0.0000968700000000, 0.0017997600000000 ] - [ -0.0000156000000000, 0.0000000000000000, 0.0001152700000000 ] - [ -0.0014218000000000, 0.0000000000000000, 0.0010227100000000 ] - [ -0.0014720500000000, -0.0000718700000000, 0.0007214200000000 ] - [ -0.0014720500000000, 0.0000718700000000, 0.0007214200000000 ] - [ 0.0069076300000000, 0.0030063400000000, 0.0042344000000000 ] - [ 0.0069076300000000, -0.0030063400000000, 0.0042344000000000 ] - [ 0.0009488100000000, 0.0000000000000000, 0.0007289900000000 ]- atom: 88 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ 0.0001705400000000, -0.0001647200000000, 0.0002521400000000 ] - [ 0.0001705400000000, 0.0001647200000000, 0.0002521400000000 ] - [ -0.0001520400000000, 0.0000000000000000, 0.0000987400000000 ] - [ 0.0006622400000000, 0.0000000000000000, -0.0044842100000000 ] - [ -0.0000350100000000, -0.0000734200000000, -0.0005638100000000 ] - [ -0.0000350100000000, 0.0000734200000000, -0.0005638100000000 ] - [ -0.0004113700000000, 0.0056099800000000, -0.0016415300000000 ] - [ -0.0004113700000000, -0.0056099800000000, -0.0016415300000000 ] - [ 0.0000898600000000, 0.0000000000000000, -0.0003589900000000 ] - [ 0.0004523400000000, 0.0000000000000000, 0.0010727900000000 ] - [ 0.0001856500000000, -0.0002810000000000, 0.0003341500000000 ] - [ 0.0001856500000000, 0.0002810000000000, 0.0003341500000000 ] - [ -0.0006156700000000, 0.0005272600000000, -0.0018208900000000 ] - [ -0.0006156700000000, -0.0005272600000000, -0.0018208900000000 ] - [ 0.0000965000000000, 0.0000000000000000, -0.0009419800000000 ] - [ 0.0011195500000000, 0.0001107500000000, 0.0017835200000000 ] - [ 0.0011195500000000, -0.0001107500000000, 0.0017835200000000 ] - [ 0.0006331300000000, 0.0000000000000000, 0.0009532800000000 ] - [ 0.0002203400000000, 0.0000000000000000, 0.0023797500000000 ] - [ 0.0001240700000000, -0.0009309900000000, 0.0013742700000000 ] - [ 0.0001240700000000, 0.0009309900000000, 0.0013742700000000 ] - [ 0.0009853300000000, 0.0000000000000000, 0.0021434600000000 ] - [ 0.0005652400000000, 0.0000755300000000, 0.0010267000000000 ] - [ 0.0005652400000000, -0.0000755300000000, 0.0010267000000000 ] - [ -0.0010719100000000, 0.0000000000000000, 0.0144071800000000 ] - [ 0.0009034500000000, 0.0019787600000000, 0.0003179600000000 ] - [ 0.0009034500000000, -0.0019787600000000, 0.0003179600000000 ] - [ -0.0014925900000000, 0.0005149200000000, 0.0039127400000000 ] - [ -0.0014925900000000, -0.0005149200000000, 0.0039127400000000 ] - [ -0.0005924100000000, 0.0000000000000000, 0.0011012700000000 ] - [ -0.0010384500000000, -0.0008571300000000, 0.0027989800000000 ] - [ -0.0010384500000000, 0.0008571300000000, 0.0027989800000000 ] - [ -0.0006015600000000, 0.0000000000000000, 0.0014108600000000 ] - [ -0.0074984300000000, -0.0087808800000000, -0.0011288700000000 ] - [ -0.0074984300000000, 0.0087808800000000, -0.0011288700000000 ] - [ 0.0004090200000000, 0.0000000000000000, -0.0024493500000000 ] - [ -0.0008009000000000, 0.0000000000000000, 0.0010991700000000 ] - [ -0.0007319800000000, 0.0005453500000000, 0.0009285200000000 ] - [ -0.0007319800000000, -0.0005453500000000, 0.0009285200000000 ] - [ 0.0170483100000000, 0.0000000000000000, -0.0169625600000000 ] - [ 0.0010881000000000, -0.0021268600000000, -0.0029141200000000 ] - [ 0.0010881000000000, 0.0021268600000000, -0.0029141200000000 ] - [ -0.0014701600000000, 0.0000000000000000, -0.0009752900000000 ] - [ -0.0018422300000000, -0.0005424800000000, -0.0008670800000000 ] - [ -0.0018422300000000, 0.0005424800000000, -0.0008670800000000 ] - [ 0.0000028800000000, 0.0001875700000000, 0.0023359400000000 ] - [ 0.0000028800000000, -0.0001875700000000, 0.0023359400000000 ] - [ -0.0004618400000000, 0.0000000000000000, 0.0013758200000000 ] - [ 0.0185177600000000, 0.0000000000000000, -0.2328974200000000 ] - [ 0.0000326200000000, 0.0001542900000000, -0.0027130300000000 ] - [ 0.0000326200000000, -0.0001542900000000, -0.0027130300000000 ] - [ -0.0033538200000000, 0.0004712000000000, -0.0018391600000000 ] - [ -0.0033538200000000, -0.0004712000000000, -0.0018391600000000 ] - [ -0.0002075800000000, 0.0000000000000000, -0.0007184200000000 ] - [ 0.0004973400000000, 0.0000000000000000, 0.0018162500000000 ] - [ 0.0003865200000000, -0.0000146700000000, 0.0011609200000000 ] - [ 0.0003865200000000, 0.0000146700000000, 0.0011609200000000 ] - [ 0.0018324200000000, -0.0004954100000000, 0.0035228900000000 ] - [ 0.0018324200000000, 0.0004954100000000, 0.0035228900000000 ] - [ -0.0000422900000000, 0.0000000000000000, 0.0005966800000000 ] - [ -0.0008833400000000, 0.0000000000000000, 0.0009662400000000 ] - [ -0.0001127300000000, 0.0003287500000000, 0.0007825000000000 ] - [ -0.0001127300000000, -0.0003287500000000, 0.0007825000000000 ] - [ 0.0010967600000000, 0.0000467400000000, -0.0008787600000000 ] - [ 0.0010967600000000, -0.0000467400000000, -0.0008787600000000 ] - [ 0.0013816800000000, 0.0000000000000000, -0.0005530600000000 ] - [ 0.0000176800000000, 0.0000000000000000, 0.0004401000000000 ] - [ 0.0002154800000000, -0.0000337300000000, 0.0005691000000000 ] - [ 0.0002154800000000, 0.0000337300000000, 0.0005691000000000 ] - [ -0.0022619000000000, -0.0000673500000000, -0.0005876100000000 ] - [ -0.0022619000000000, 0.0000673500000000, -0.0005876100000000 ] - [ -0.0000465500000000, 0.0000000000000000, 0.0001047600000000 ] - [ 0.0000080300000000, 0.0000000000000000, -0.0010593200000000 ] - [ 0.0001052200000000, 0.0001110100000000, -0.0006280200000000 ] - [ 0.0001052200000000, -0.0001110100000000, -0.0006280200000000 ] - [ -0.0004585800000000, -0.0000148400000000, -0.0007011600000000 ] - [ -0.0004585800000000, 0.0000148400000000, -0.0007011600000000 ] - [ -0.0004012200000000, 0.0000000000000000, -0.0002027600000000 ] - [ -0.0017489800000000, 0.0012820500000000, -0.0029412500000000 ] - [ -0.0017489800000000, -0.0012820500000000, -0.0029412500000000 ] - [ -0.0010175400000000, 0.0000000000000000, -0.0024112200000000 ] - [ -0.0038200600000000, 0.0000000000000000, -0.0001275700000000 ] - [ -0.0009592600000000, 0.0001751700000000, 0.0010344100000000 ] - [ -0.0009592600000000, -0.0001751700000000, 0.0010344100000000 ] - [ -0.0267732500000000, 0.0000000000000000, -0.0431373100000000 ] - [ 0.0007183300000000, -0.0005912800000000, 0.0008562200000000 ] - [ 0.0007183300000000, 0.0005912800000000, 0.0008562200000000 ] - [ -0.0399119900000000, 0.0000000000000000, 0.3376544400000000 ] - [ -0.0007255600000000, 0.0015907800000000, 0.0028917700000000 ] - [ -0.0007255600000000, -0.0015907800000000, 0.0028917700000000 ] - [ 0.0020098900000000, -0.0002646400000000, 0.0002420400000000 ] - [ 0.0020098900000000, 0.0002646400000000, 0.0002420400000000 ] - [ 0.0004638300000000, 0.0000000000000000, 0.0005177500000000 ] - [ 0.0007840700000000, 0.0000000000000000, -0.0008621500000000 ] - [ 0.0006697600000000, 0.0003338000000000, -0.0004716900000000 ] - [ 0.0006697600000000, -0.0003338000000000, -0.0004716900000000 ] - [ 0.0013872600000000, 0.0000000000000000, -0.0045667500000000 ] - [ -0.0007216700000000, -0.0003410200000000, -0.0010009100000000 ] - [ -0.0007216700000000, 0.0003410200000000, -0.0010009100000000 ] - [ 0.0006722400000000, 0.0001800000000000, -0.0019921200000000 ] - [ 0.0006722400000000, -0.0001800000000000, -0.0019921200000000 ] - [ 0.0005015600000000, 0.0000000000000000, -0.0009520000000000 ] - [ 0.0004221000000000, 0.0023563600000000, -0.0020306500000000 ] - [ 0.0004221000000000, -0.0023563600000000, -0.0020306500000000 ] - [ 0.0002376100000000, 0.0000000000000000, -0.0005895800000000 ] - [ 0.0472170500000000, 0.0000000000000000, -0.0499455800000000 ] - [ -0.0011656300000000, -0.0007396100000000, 0.0019724600000000 ] - [ -0.0011656300000000, 0.0007396100000000, 0.0019724600000000 ] - [ 0.0021673400000000, -0.0006764100000000, 0.0012839700000000 ] - [ 0.0021673400000000, 0.0006764100000000, 0.0012839700000000 ] - [ 0.0003996100000000, 0.0000000000000000, -0.0000110200000000 ] - [ 0.0035549500000000, -0.0023386800000000, -0.0021720300000000 ] - [ 0.0035549500000000, 0.0023386800000000, -0.0021720300000000 ] - [ 0.0000326400000000, 0.0000000000000000, 0.0002842600000000 ] - [ 0.0015956800000000, -0.0026330100000000, 0.0043356400000000 ] - [ 0.0015956800000000, 0.0026330100000000, 0.0043356400000000 ] - [ 0.0004336500000000, 0.0000000000000000, 0.0013127000000000 ] - [ 0.0000641100000000, 0.0000000000000000, 0.0001343900000000 ] - [ 0.0001867200000000, 0.0003019200000000, 0.0006368700000000 ] - [ 0.0001867200000000, -0.0003019200000000, 0.0006368700000000 ] - [ 0.0011560900000000, 0.0000000000000000, -0.0019728600000000 ] - [ 0.0009748600000000, -0.0003172500000000, -0.0016145000000000 ] - [ 0.0009748600000000, 0.0003172500000000, -0.0016145000000000 ] - [ 0.0003157900000000, -0.0000831400000000, -0.0011984200000000 ] - [ 0.0003157900000000, 0.0000831400000000, -0.0011984200000000 ] - [ -0.0004153100000000, 0.0000000000000000, -0.0000120300000000 ] - [ 0.0019456000000000, 0.0000000000000000, 0.0000775800000000 ] - [ 0.0028399300000000, -0.0022496500000000, 0.0005204800000000 ] - [ 0.0028399300000000, 0.0022496500000000, 0.0005204800000000 ] - [ -0.0004018300000000, -0.0000978400000000, -0.0027765800000000 ] - [ -0.0004018300000000, 0.0000978400000000, -0.0027765800000000 ] - [ -0.0001839000000000, 0.0000000000000000, -0.0010974800000000 ] - [ -0.0011110400000000, 0.0000000000000000, -0.0009801700000000 ] - [ -0.0010590500000000, 0.0000715500000000, -0.0006796700000000 ] - [ -0.0010590500000000, -0.0000715500000000, -0.0006796700000000 ] - [ -0.0054372000000000, -0.0030352500000000, -0.0028676700000000 ] - [ -0.0054372000000000, 0.0030352500000000, -0.0028676700000000 ] - [ 0.0005539500000000, 0.0000000000000000, 0.0006323200000000 ]- atom: 91 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0000406300000000, 0.0000000000000000, 0.0002618700000000 ] - [ -0.0001084100000000, 0.0000619200000000, 0.0000577400000000 ] - [ -0.0001084100000000, -0.0000619200000000, 0.0000577400000000 ] - [ -0.0000619400000000, 0.0036833400000000, 0.0026047200000000 ] - [ 0.0000879000000000, 0.0000000000000000, 0.0004282700000000 ] - [ -0.0000619400000000, -0.0036833400000000, 0.0026047200000000 ] - [ -0.0053572500000000, 0.0000000000000000, 0.0028096100000000 ] - [ -0.0005341500000000, 0.0007318800000000, -0.0002059100000000 ] - [ -0.0005341500000000, -0.0007318800000000, -0.0002059100000000 ] - [ -0.0008739300000000, 0.0002598600000000, -0.0003299400000000 ] - [ -0.0003266500000000, 0.0000000000000000, 0.0000628100000000 ] - [ -0.0008739300000000, -0.0002598600000000, -0.0003299400000000 ] - [ 0.0210033500000000, 0.0000000000000000, -0.0002074100000000 ] - [ 0.0027694300000000, -0.0009075400000000, -0.0008370800000000 ] - [ 0.0027694300000000, 0.0009075400000000, -0.0008370800000000 ] - [ -0.0008561600000000, 0.0000000000000000, 0.0009942900000000 ] - [ -0.0000942700000000, -0.0008245000000000, 0.0014791400000000 ] - [ -0.0000942700000000, 0.0008245000000000, 0.0014791400000000 ] - [ 0.0075942400000000, 0.0004954400000000, -0.0005136500000000 ] - [ 0.0040399300000000, 0.0000000000000000, 0.0012711100000000 ] - [ 0.0075942400000000, -0.0004954400000000, -0.0005136500000000 ] - [ 0.0031103300000000, 0.0009883100000000, -0.0008583600000000 ] - [ 0.0015576800000000, 0.0000000000000000, -0.0000428000000000 ] - [ 0.0031103300000000, -0.0009883100000000, -0.0008583600000000 ] - [ 0.0004594100000000, 0.0003097200000000, 0.0009034800000000 ] - [ 0.0006535900000000, 0.0000000000000000, 0.0000101300000000 ] - [ 0.0004594100000000, -0.0003097200000000, 0.0009034800000000 ] - [ 0.0008889000000000, 0.0000000000000000, -0.0230654000000000 ] - [ -0.0003959000000000, 0.0024858800000000, -0.0009114200000000 ] - [ -0.0003959000000000, -0.0024858800000000, -0.0009114200000000 ] - [ -0.0012671400000000, 0.0000000000000000, -0.0006990900000000 ] - [ -0.0007964600000000, 0.0003783700000000, 0.0001546700000000 ] - [ -0.0007964600000000, -0.0003783700000000, 0.0001546700000000 ] - [ -0.0009276500000000, 0.0000000000000000, -0.0010960900000000 ] - [ -0.0006614300000000, 0.0004143300000000, -0.0015867500000000 ] - [ -0.0006614300000000, -0.0004143300000000, -0.0015867500000000 ] - [ -0.0009776500000000, 0.0001935000000000, 0.0001052200000000 ] - [ -0.0008927800000000, 0.0000000000000000, 0.0001172100000000 ] - [ -0.0009776500000000, -0.0001935000000000, 0.0001052200000000 ] - [ -0.0044208300000000, 0.0011531800000000, -0.0019644200000000 ] - [ -0.0011080100000000, 0.0000000000000000, -0.0019779100000000 ] - [ -0.0044208300000000, -0.0011531800000000, -0.0019644200000000 ] - [ -0.0004957800000000, 0.0001398500000000, -0.0007489500000000 ] - [ -0.0007450400000000, 0.0000000000000000, -0.0009834200000000 ] - [ -0.0004957800000000, -0.0001398500000000, -0.0007489500000000 ] - [ -0.0001085300000000, 0.0000000000000000, 0.0004996600000000 ] - [ -0.0002389900000000, -0.0000751700000000, 0.0004737500000000 ] - [ -0.0002389900000000, 0.0000751700000000, 0.0004737500000000 ] - [ -0.0010938200000000, 0.0001424100000000, 0.0010427900000000 ] - [ -0.0002052800000000, 0.0000000000000000, 0.0001414000000000 ] - [ -0.0010938200000000, -0.0001424100000000, 0.0010427900000000 ] - [ 0.1219693200000000, 0.0000000000000000, -0.0353102200000000 ] - [ 0.0031205500000000, 0.0015008600000000, -0.0001709100000000 ] - [ 0.0031205500000000, -0.0015008600000000, -0.0001709100000000 ] - [ -0.0013967900000000, -0.0001846200000000, -0.0017967700000000 ] - [ -0.0005324000000000, 0.0000000000000000, -0.0006304800000000 ] - [ -0.0013967900000000, 0.0001846200000000, -0.0017967700000000 ] - [ -0.0057758600000000, 0.0000000000000000, -0.0011993500000000 ] - [ -0.0048564600000000, 0.0014727600000000, 0.0006545600000000 ] - [ -0.0048564600000000, -0.0014727600000000, 0.0006545600000000 ] - [ -0.0023699100000000, 0.0011645300000000, -0.0001399100000000 ] - [ -0.0009033400000000, 0.0000000000000000, 0.0004095000000000 ] - [ -0.0023699100000000, -0.0011645300000000, -0.0001399100000000 ] - [ 0.0010398000000000, 0.0000000000000000, -0.0003773100000000 ] - [ 0.0011554400000000, -0.0000329000000000, -0.0003040700000000 ] - [ 0.0011554400000000, 0.0000329000000000, -0.0003040700000000 ] - [ 0.0001152300000000, -0.0001626000000000, 0.0008231500000000 ] - [ 0.0001415400000000, 0.0000000000000000, 0.0009881500000000 ] - [ 0.0001152300000000, 0.0001626000000000, 0.0008231500000000 ] - [ 0.0075587200000000, 0.0000000000000000, -0.0009381500000000 ] - [ 0.0067366000000000, 0.0058094500000000, 0.0007298100000000 ] - [ 0.0067366000000000, -0.0058094500000000, 0.0007298100000000 ] - [ 0.0016025600000000, -0.0008552200000000, -0.0044190800000000 ] - [ -0.0003293900000000, 0.0000000000000000, -0.0007049200000000 ] - [ 0.0016025600000000, 0.0008552200000000, -0.0044190800000000 ] - [ -0.0014108000000000, 0.0000000000000000, 0.0003827400000000 ] - [ -0.0011095000000000, -0.0002279500000000, 0.0004741200000000 ] - [ -0.0011095000000000, 0.0002279500000000, 0.0004741200000000 ] - [ -0.0008635900000000, 0.0000000000000000, -0.0018909500000000 ] - [ -0.0008049300000000, -0.0001415300000000, -0.0017857100000000 ] - [ -0.0008049300000000, 0.0001415300000000, -0.0017857100000000 ] - [ 0.0035118900000000, 0.0057497700000000, 0.0066438500000000 ] - [ -0.0009110500000000, 0.0000000000000000, 0.0011337700000000 ] - [ 0.0035118900000000, -0.0057497700000000, 0.0066438500000000 ] - [ 0.0010956700000000, -0.0006792900000000, -0.0015442400000000 ] - [ 0.0003395200000000, 0.0000000000000000, -0.0003587600000000 ] - [ 0.0010956700000000, 0.0006792900000000, -0.0015442400000000 ] - [ 0.0025394300000000, -0.0012884000000000, -0.0003275600000000 ] - [ 0.0002688100000000, 0.0000000000000000, 0.0007000700000000 ] - [ 0.0025394300000000, 0.0012884000000000, -0.0003275600000000 ] - [ -0.2459605600000000, 0.0000000000000000, 0.0756217500000000 ] - [ -0.0035698700000000, 0.0005189300000000, 0.0021294000000000 ] - [ -0.0035698700000000, -0.0005189300000000, 0.0021294000000000 ] - [ -0.0033591800000000, -0.0045069100000000, 0.0023602500000000 ] - [ -0.0011539200000000, 0.0000000000000000, -0.0001281100000000 ] - [ -0.0033591800000000, 0.0045069100000000, 0.0023602500000000 ] - [ -0.0002569900000000, -0.0003711200000000, 0.0000072900000000 ] - [ -0.0006654800000000, 0.0000000000000000, -0.0000794300000000 ] - [ -0.0002569900000000, 0.0003711200000000, 0.0000072900000000 ] - [ -0.0025455400000000, 0.0000000000000000, 0.0045634600000000 ] - [ 0.0002543600000000, -0.0003809300000000, 0.0006256000000000 ] - [ 0.0002543600000000, 0.0003809300000000, 0.0006256000000000 ] - [ -0.0003378600000000, 0.0000000000000000, -0.0002106900000000 ] - [ -0.0001296200000000, -0.0002209400000000, -0.0002414400000000 ] - [ -0.0001296200000000, 0.0002209400000000, -0.0002414400000000 ] - [ 0.0007401500000000, -0.0000711500000000, -0.0004360100000000 ] - [ -0.0002241000000000, 0.0000000000000000, 0.0001687600000000 ] - [ 0.0007401500000000, 0.0000711500000000, -0.0004360100000000 ] - [ 0.0133935900000000, 0.0000000000000000, -0.0461243600000000 ] - [ -0.0013902400000000, -0.0014489200000000, -0.0002757900000000 ] - [ -0.0013902400000000, 0.0014489200000000, -0.0002757900000000 ] - [ 0.0655523100000000, 0.0000000000000000, 0.0128844000000000 ] - [ -0.0014016200000000, -0.0013383700000000, 0.0002083700000000 ] - [ -0.0014016200000000, 0.0013383700000000, 0.0002083700000000 ] - [ -0.0003858100000000, 0.0000000000000000, -0.0008283500000000 ] - [ 0.0012325500000000, -0.0000805500000000, 0.0001991800000000 ] - [ 0.0012325500000000, 0.0000805500000000, 0.0001991800000000 ] - [ 0.0021535100000000, -0.0017633200000000, 0.0029144200000000 ] - [ 0.0012832800000000, 0.0000000000000000, 0.0021455500000000 ] - [ 0.0021535100000000, 0.0017633200000000, 0.0029144200000000 ] - [ 0.0009639600000000, -0.0001071900000000, -0.0001962700000000 ] - [ 0.0009718500000000, 0.0000000000000000, -0.0006715000000000 ] - [ 0.0009639600000000, 0.0001071900000000, -0.0001962700000000 ] - [ 0.0003113100000000, 0.0000000000000000, 0.0001109700000000 ] - [ -0.0000405500000000, -0.0001023400000000, 0.0001776800000000 ] - [ -0.0000405500000000, 0.0001023400000000, 0.0001776800000000 ] - [ 0.0003436300000000, -0.0001626200000000, -0.0001355900000000 ] - [ 0.0007630700000000, 0.0000000000000000, 0.0000139800000000 ] - [ 0.0003436300000000, 0.0001626200000000, -0.0001355900000000 ] - [ 0.0021673400000000, 0.0000000000000000, -0.0011962400000000 ] - [ 0.0012268400000000, -0.0003339800000000, -0.0016035200000000 ] - [ 0.0012268400000000, 0.0003339800000000, -0.0016035200000000 ] - [ 0.0006605100000000, 0.0003284200000000, 0.0000504400000000 ] - [ -0.0000945900000000, 0.0000000000000000, -0.0001727000000000 ] - [ 0.0006605100000000, -0.0003284200000000, 0.0000504400000000 ] - [ 0.0043547700000000, 0.0000000000000000, 0.0017245500000000 ] - [ 0.0028443400000000, -0.0007628200000000, 0.0022385300000000 ] - [ 0.0028443400000000, 0.0007628200000000, 0.0022385300000000 ]- atom: 91 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0003653000000000, 0.0000000000000000, -0.0000125100000000 ] - [ -0.0002944200000000, -0.0000616900000000, 0.0001963900000000 ] - [ -0.0002944200000000, 0.0000616900000000, 0.0001963900000000 ] - [ -0.0001631000000000, -0.0036846600000000, -0.0021424200000000 ] - [ -0.0003133300000000, 0.0000000000000000, 0.0000368800000000 ] - [ -0.0001631000000000, 0.0036846600000000, -0.0021424200000000 ] - [ 0.0055977600000000, 0.0000000000000000, -0.0032971100000000 ] - [ 0.0007648100000000, -0.0007362700000000, -0.0002612600000000 ] - [ 0.0007648100000000, 0.0007362700000000, -0.0002612600000000 ] - [ 0.0012818400000000, -0.0002650100000000, 0.0000778400000000 ] - [ 0.0007307800000000, 0.0000000000000000, -0.0003173100000000 ] - [ 0.0012818400000000, 0.0002650100000000, 0.0000778400000000 ] - [ -0.0207141000000000, 0.0000000000000000, 0.0013537700000000 ] - [ -0.0025784400000000, 0.0009123600000000, 0.0017182500000000 ] - [ -0.0025784400000000, -0.0009123600000000, 0.0017182500000000 ] - [ 0.0018898900000000, 0.0000000000000000, -0.0012233900000000 ] - [ 0.0011189400000000, 0.0008298500000000, -0.0017206700000000 ] - [ 0.0011189400000000, -0.0008298500000000, -0.0017206700000000 ] - [ -0.0072332800000000, -0.0001929100000000, 0.0021629700000000 ] - [ -0.0039463500000000, 0.0000000000000000, 0.0005701200000000 ] - [ -0.0072332800000000, 0.0001929100000000, 0.0021629700000000 ] - [ -0.0020944500000000, -0.0009953900000000, -0.0000259700000000 ] - [ -0.0005345900000000, 0.0000000000000000, -0.0008331700000000 ] - [ -0.0020944500000000, 0.0009953900000000, -0.0000259700000000 ] - [ 0.0005550300000000, -0.0003105900000000, -0.0007971400000000 ] - [ 0.0003610800000000, 0.0000000000000000, 0.0000961900000000 ] - [ 0.0005550300000000, 0.0003105900000000, -0.0007971400000000 ] - [ -0.0019786000000000, 0.0000000000000000, 0.0230903400000000 ] - [ -0.0006288000000000, -0.0024922700000000, 0.0008104700000000 ] - [ -0.0006288000000000, 0.0024922700000000, 0.0008104700000000 ] - [ 0.0002442400000000, 0.0000000000000000, 0.0015819300000000 ] - [ -0.0002296600000000, -0.0003810300000000, 0.0007205800000000 ] - [ -0.0002296600000000, 0.0003810300000000, 0.0007205800000000 ] - [ 0.0008165300000000, 0.0000000000000000, -0.0007447800000000 ] - [ 0.0005497400000000, -0.0004141600000000, -0.0002595400000000 ] - [ 0.0005497400000000, 0.0004141600000000, -0.0002595400000000 ] - [ -0.0000399100000000, -0.0001941400000000, 0.0001315900000000 ] - [ -0.0001265700000000, 0.0000000000000000, 0.0001162800000000 ] - [ -0.0000399100000000, 0.0001941400000000, 0.0001315900000000 ] - [ 0.0042491000000000, -0.0011579700000000, 0.0010885400000000 ] - [ 0.0009197300000000, 0.0000000000000000, 0.0011131500000000 ] - [ 0.0042491000000000, 0.0011579700000000, 0.0010885400000000 ] - [ 0.0003727400000000, -0.0001415200000000, 0.0004600900000000 ] - [ 0.0006176100000000, 0.0000000000000000, 0.0006890900000000 ] - [ 0.0003727400000000, 0.0001415200000000, 0.0004600900000000 ] - [ -0.0008732300000000, 0.0000000000000000, 0.0000274100000000 ] - [ -0.0007435800000000, 0.0000752700000000, 0.0000536500000000 ] - [ -0.0007435800000000, -0.0000752700000000, 0.0000536500000000 ] - [ 0.0013225700000000, -0.0001420000000000, -0.0004437400000000 ] - [ 0.0004326000000000, 0.0000000000000000, 0.0004615400000000 ] - [ 0.0013225700000000, 0.0001420000000000, -0.0004437400000000 ] - [ -0.1329429500000000, 0.0000000000000000, 0.0401186700000000 ] - [ -0.0033632500000000, -0.0014980800000000, -0.0004301400000000 ] - [ -0.0033632500000000, 0.0014980800000000, -0.0004301400000000 ] - [ 0.0023899500000000, 0.0001860300000000, 0.0012790400000000 ] - [ 0.0015181400000000, 0.0000000000000000, 0.0000992400000000 ] - [ 0.0023899500000000, -0.0001860300000000, 0.0012790400000000 ] - [ 0.0059017000000000, 0.0000000000000000, 0.0014848600000000 ] - [ 0.0050111900000000, -0.0014812100000000, -0.0003626100000000 ] - [ 0.0050111900000000, 0.0014812100000000, -0.0003626100000000 ] - [ 0.0008720900000000, -0.0011679000000000, -0.0012196000000000 ] - [ -0.0005995100000000, 0.0000000000000000, -0.0017619100000000 ] - [ 0.0008720900000000, 0.0011679000000000, -0.0012196000000000 ] - [ 0.0014879900000000, 0.0000000000000000, 0.0003407200000000 ] - [ 0.0013724500000000, 0.0000331100000000, 0.0002686600000000 ] - [ 0.0013724500000000, -0.0000331100000000, 0.0002686600000000 ] - [ 0.0000830500000000, 0.0001629600000000, 0.0001638500000000 ] - [ 0.0000572600000000, 0.0000000000000000, 0.0000032200000000 ] - [ 0.0000830500000000, -0.0001629600000000, 0.0001638500000000 ] - [ -0.0078483500000000, 0.0000000000000000, 0.0012466800000000 ] - [ -0.0072465400000000, -0.0058346100000000, -0.0003447000000000 ] - [ -0.0072465400000000, 0.0058346100000000, -0.0003447000000000 ] - [ -0.0011760100000000, 0.0008527100000000, 0.0044261800000000 ] - [ 0.0007655800000000, 0.0000000000000000, 0.0006865000000000 ] - [ -0.0011760100000000, -0.0008527100000000, 0.0044261800000000 ] - [ 0.0003523800000000, 0.0000000000000000, 0.0008084000000000 ] - [ 0.0000514400000000, 0.0002276600000000, 0.0007155200000000 ] - [ 0.0000514400000000, -0.0002276600000000, 0.0007155200000000 ] - [ -0.0002351500000000, 0.0000000000000000, -0.0012220700000000 ] - [ -0.0002944500000000, 0.0001418200000000, -0.0013275400000000 ] - [ -0.0002944500000000, -0.0001418200000000, -0.0013275400000000 ] - [ -0.0051395000000000, -0.0056495500000000, -0.0053879100000000 ] - [ -0.0007203200000000, 0.0000000000000000, 0.0000810900000000 ] - [ -0.0051395000000000, 0.0056495500000000, -0.0053879100000000 ] - [ -0.0007547600000000, 0.0006792800000000, 0.0005374700000000 ] - [ 0.0000027000000000, 0.0000000000000000, -0.0006491700000000 ] - [ -0.0007547600000000, -0.0006792800000000, 0.0005374700000000 ] - [ -0.0031432700000000, 0.0012923300000000, 0.0013305400000000 ] - [ -0.0008656800000000, 0.0000000000000000, 0.0002934100000000 ] - [ -0.0031432700000000, -0.0012923300000000, 0.0013305400000000 ] - [ 0.2582115000000000, 0.0000000000000000, -0.0810335900000000 ] - [ 0.0046341700000000, -0.0005188400000000, -0.0018537000000000 ] - [ 0.0046341700000000, 0.0005188400000000, -0.0018537000000000 ] - [ 0.0040738200000000, 0.0044947500000000, -0.0015703300000000 ] - [ 0.0018417700000000, 0.0000000000000000, 0.0008950500000000 ] - [ 0.0040738200000000, -0.0044947500000000, -0.0015703300000000 ] - [ -0.0006475700000000, 0.0003740400000000, 0.0000130900000000 ] - [ -0.0002392600000000, 0.0000000000000000, 0.0001019900000000 ] - [ -0.0006475700000000, -0.0003740400000000, 0.0000130900000000 ] - [ 0.0034730700000000, 0.0000000000000000, -0.0046140600000000 ] - [ 0.0006528400000000, 0.0003801000000000, -0.0006461700000000 ] - [ 0.0006528400000000, -0.0003801000000000, -0.0006461700000000 ] - [ -0.0003448700000000, 0.0000000000000000, -0.0005554000000000 ] - [ -0.0005538600000000, 0.0002211900000000, -0.0005235200000000 ] - [ -0.0005538600000000, -0.0002211900000000, -0.0005235200000000 ] - [ -0.0018093300000000, 0.0000698200000000, 0.0001686500000000 ] - [ -0.0008406000000000, 0.0000000000000000, -0.0004376500000000 ] - [ -0.0018093300000000, -0.0000698200000000, 0.0001686500000000 ] - [ -0.0126939100000000, 0.0000000000000000, 0.0454630700000000 ] - [ 0.0019856500000000, 0.0014481600000000, -0.0007211200000000 ] - [ 0.0019856500000000, -0.0014481600000000, -0.0007211200000000 ] - [ -0.0672235300000000, 0.0000000000000000, -0.0120294900000000 ] - [ 0.0010647900000000, 0.0013446400000000, 0.0007996300000000 ] - [ 0.0010647900000000, -0.0013446400000000, 0.0007996300000000 ] - [ 0.0020037800000000, 0.0000000000000000, -0.0003910100000000 ] - [ 0.0004020900000000, 0.0000846300000000, -0.0014189800000000 ] - [ 0.0004020900000000, -0.0000846300000000, -0.0014189800000000 ] - [ -0.0010629600000000, 0.0017787300000000, 0.0001894000000000 ] - [ -0.0001835200000000, 0.0000000000000000, 0.0009711400000000 ] - [ -0.0010629600000000, -0.0017787300000000, 0.0001894000000000 ] - [ 0.0000943500000000, 0.0001076600000000, -0.0009960400000000 ] - [ 0.0000859700000000, 0.0000000000000000, -0.0005140400000000 ] - [ 0.0000943500000000, -0.0001076600000000, -0.0009960400000000 ] - [ -0.0007466900000000, 0.0000000000000000, -0.0000915200000000 ] - [ -0.0003932600000000, 0.0001028100000000, -0.0001565200000000 ] - [ -0.0003932600000000, -0.0001028100000000, -0.0001565200000000 ] - [ 0.0001479200000000, 0.0001632200000000, -0.0002435400000000 ] - [ -0.0002721200000000, 0.0000000000000000, -0.0003926000000000 ] - [ 0.0001479200000000, -0.0001632200000000, -0.0002435400000000 ] - [ -0.0023604900000000, 0.0000000000000000, 0.0001927400000000 ] - [ -0.0014326200000000, 0.0003369400000000, 0.0006174700000000 ] - [ -0.0014326200000000, -0.0003369400000000, 0.0006174700000000 ] - [ -0.0031994600000000, -0.0003298900000000, -0.0000152400000000 ] - [ -0.0024388700000000, 0.0000000000000000, 0.0002118100000000 ] - [ -0.0031994600000000, 0.0003298900000000, -0.0000152400000000 ] - [ -0.0028569900000000, 0.0000000000000000, -0.0003580100000000 ] - [ -0.0013516800000000, 0.0007659100000000, -0.0008897300000000 ] - [ -0.0013516800000000, -0.0007659100000000, -0.0008897300000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002030500000000, 0.0000171800000000, 0.0001265000000000 ] - [ -0.0002223100000000, -0.0000021100000000, 0.0001985900000000 ] - [ -0.0001831100000000, -0.0000042600000000, 0.0000536700000000 ] - [ 0.0000086300000000, 0.0005809500000000, 0.0000229100000000 ] - [ -0.0001139800000000, -0.0004360700000000, 0.0002282500000000 ] - [ -0.0002391800000000, 0.0005467300000000, 0.0004484300000000 ] - [ 0.0000976100000000, -0.0001196700000000, -0.0002224100000000 ] - [ 0.0000646700000000, -0.0001656200000000, -0.0004023700000000 ] - [ 0.0001629900000000, -0.0001704500000000, -0.0000631800000000 ] - [ 0.0000022800000000, 0.0003152400000000, -0.0000389400000000 ] - [ 0.0002002700000000, -0.0006159800000000, -0.0001260200000000 ] - [ 0.0003966200000000, 0.0003130100000000, -0.0002118800000000 ] - [ 0.0001716400000000, 0.0119332600000000, 0.0004472400000000 ] - [ 0.0009037800000000, -0.0033759700000000, -0.0023550500000000 ] - [ -0.0007058100000000, -0.0033872600000000, 0.0031932900000000 ] - [ 0.0005026300000000, 0.0045272900000000, -0.0001127500000000 ] - [ -0.0000993500000000, -0.0021997500000000, 0.0011496100000000 ] - [ 0.0011121900000000, -0.0021929200000000, -0.0013708900000000 ] - [ -0.0050768800000000, 0.0080574400000000, 0.0012154400000000 ] - [ 0.0000607000000000, -0.0074218600000000, 0.0009266200000000 ] - [ 0.0055335100000000, 0.0075812300000000, 0.0003311300000000 ] - [ 0.0012190500000000, 0.0006123600000000, 0.0018413900000000 ] - [ 0.0005153000000000, -0.0010457900000000, -0.0004327400000000 ] - [ -0.0001800000000000, 0.0006061300000000, -0.0027036000000000 ] - [ 0.0004812300000000, 0.0001707700000000, 0.0000473000000000 ] - [ 0.0005054200000000, -0.0003434600000000, 0.0000568900000000 ] - [ 0.0005270300000000, 0.0001673500000000, 0.0000760700000000 ] - [ -0.0004957900000000, 0.0044105500000000, -0.0001193100000000 ] - [ 0.0003726800000000, -0.0018163900000000, 0.0009140400000000 ] - [ -0.0013760800000000, -0.0018263200000000, -0.0010204200000000 ] - [ -0.0005128500000000, 0.0004405100000000, 0.0004374600000000 ] - [ -0.0003251800000000, -0.0002138800000000, 0.0006653900000000 ] - [ -0.0006984900000000, -0.0002167600000000, 0.0002136900000000 ] - [ -0.0000538400000000, 0.0004568400000000, -0.0009169200000000 ] - [ 0.0000032700000000, -0.0002183700000000, -0.0014951800000000 ] - [ -0.0001149000000000, -0.0002261200000000, -0.0003551900000000 ] - [ -0.0005532800000000, 0.0001807700000000, 0.0002357400000000 ] - [ -0.0005111500000000, -0.0003510900000000, 0.0001195800000000 ] - [ -0.0004671900000000, 0.0001773800000000, 0.0000072700000000 ] - [ -0.0031627400000000, 0.0013966200000000, -0.0019124200000000 ] - [ -0.0001002400000000, -0.0026938300000000, -0.0004427200000000 ] - [ 0.0029417000000000, 0.0013752000000000, 0.0010205400000000 ] - [ 0.0002315300000000, -0.0001905700000000, 0.0000587700000000 ] - [ -0.0000590400000000, 0.0002429800000000, -0.0001483800000000 ] - [ -0.0003359000000000, -0.0001873000000000, -0.0003320100000000 ] - [ -0.0004925800000000, -0.0001100600000000, 0.0002720900000000 ] - [ -0.0006012400000000, 0.0000483500000000, 0.0006553400000000 ] - [ -0.0003837300000000, 0.0000487300000000, -0.0001127300000000 ] - [ 0.0000468600000000, 0.0000222000000000, -0.0004762700000000 ] - [ 0.0001097500000000, -0.0000325700000000, 0.0003020000000000 ] - [ 0.0001647100000000, 0.0000204700000000, 0.0010843100000000 ] - [ 0.0002167200000000, 0.0533202300000000, -0.0005002100000000 ] - [ 0.0016613200000000, -0.0007169800000000, -0.0009346000000000 ] - [ -0.0018512700000000, -0.0007073800000000, 0.0003118500000000 ] - [ 0.0005297400000000, -0.0002038100000000, -0.0001069400000000 ] - [ 0.0004889100000000, 0.0003449100000000, -0.0002657200000000 ] - [ 0.0004437500000000, -0.0002025500000000, -0.0004317800000000 ] - [ 0.0000452000000000, -0.0004340300000000, 0.0001435200000000 ] - [ -0.0049525300000000, 0.0017683600000000, 0.0007222200000000 ] - [ 0.0050375200000000, 0.0017598300000000, -0.0004304700000000 ] - [ -0.0006742400000000, -0.0011407200000000, -0.0012040000000000 ] - [ -0.0007624500000000, 0.0015199800000000, -0.0006801200000000 ] - [ -0.0008559900000000, -0.0011015800000000, -0.0001793000000000 ] - [ 0.0012587700000000, 0.0000279200000000, -0.0000282200000000 ] - [ 0.0014128700000000, -0.0000047200000000, -0.0002907400000000 ] - [ 0.0011050100000000, -0.0000037100000000, 0.0002352400000000 ] - [ 0.0000539600000000, 0.0000708200000000, 0.0003295400000000 ] - [ 0.0000902100000000, -0.0000727600000000, 0.0005017400000000 ] - [ 0.0001254800000000, 0.0000699000000000, 0.0006616500000000 ] - [ -0.0002165800000000, -0.0043002300000000, 0.0001951500000000 ] - [ 0.0067894200000000, 0.0083690300000000, 0.0005617600000000 ] - [ -0.0072249000000000, 0.0083076200000000, -0.0001663500000000 ] - [ 0.0036551700000000, -0.0015286000000000, -0.0067130900000000 ] - [ 0.0002169400000000, 0.0015249000000000, -0.0000156300000000 ] - [ -0.0032010300000000, -0.0015220100000000, 0.0066357100000000 ] - [ -0.0005250800000000, -0.0010037800000000, 0.0005776200000000 ] - [ -0.0006066600000000, 0.0004966200000000, 0.0002852800000000 ] - [ -0.0004429900000000, 0.0004960900000000, 0.0008713800000000 ] - [ -0.0005414700000000, -0.0000913900000000, -0.0015574400000000 ] - [ -0.0006090400000000, 0.0000448700000000, -0.0017756300000000 ] - [ -0.0004742700000000, 0.0000464900000000, -0.0013376900000000 ] - [ 0.0071401600000000, 0.0049722800000000, 0.0070339000000000 ] - [ -0.0008161800000000, 0.0016968100000000, 0.0006186900000000 ] - [ -0.0086489800000000, 0.0049333300000000, -0.0057417900000000 ] - [ 0.0004460700000000, -0.0001050400000000, -0.0001945100000000 ] - [ 0.0001837100000000, 0.0000817000000000, -0.0005032200000000 ] - [ -0.0000687400000000, -0.0000981400000000, -0.0008223600000000 ] - [ 0.0010440200000000, -0.0002246100000000, 0.0010795000000000 ] - [ -0.0002865700000000, 0.0003284700000000, 0.0004830400000000 ] - [ -0.0015970500000000, -0.0002153900000000, -0.0001163500000000 ] - [ -0.0006346500000000, -0.0656884700000000, 0.0007900200000000 ] - [ 0.0000035300000000, 0.0027603100000000, 0.0007417000000000 ] - [ 0.0010570700000000, 0.0027306300000000, -0.0004676400000000 ] - [ -0.0016782000000000, 0.0006667700000000, -0.0034106700000000 ] - [ 0.0003339500000000, 0.0008583700000000, 0.0003785100000000 ] - [ 0.0023366400000000, 0.0006769400000000, 0.0041418600000000 ] - [ -0.0008764300000000, -0.0001302100000000, -0.0004762200000000 ] - [ -0.0004540300000000, 0.0002756100000000, 0.0000065000000000 ] - [ -0.0000298500000000, -0.0001273100000000, 0.0004880300000000 ] - [ 0.0004423100000000, -0.0011364000000000, 0.0000019700000000 ] - [ 0.0005011800000000, 0.0006640300000000, -0.0005161600000000 ] - [ 0.0004026000000000, 0.0006636200000000, 0.0004949900000000 ] - [ -0.0003392100000000, -0.0002713800000000, -0.0003835800000000 ] - [ -0.0001889400000000, 0.0001408700000000, -0.0003933000000000 ] - [ -0.0004861600000000, 0.0001431000000000, -0.0003727700000000 ] - [ -0.0006052100000000, -0.0000617100000000, 0.0005073800000000 ] - [ -0.0005297600000000, 0.0002429000000000, -0.0001308800000000 ] - [ -0.0004484600000000, -0.0000576300000000, -0.0007739000000000 ] - [ 0.0003856200000000, -0.0189293800000000, -0.0006419300000000 ] - [ -0.0001735500000000, 0.0001477200000000, 0.0001769400000000 ] - [ 0.0007432300000000, 0.0001534600000000, -0.0011272500000000 ] - [ -0.0000314400000000, -0.0146863000000000, 0.0005417400000000 ] - [ -0.0008267700000000, 0.0002321100000000, 0.0001496900000000 ] - [ 0.0004487900000000, 0.0002360300000000, 0.0008569300000000 ] - [ 0.0007855300000000, -0.0010185200000000, -0.0006064300000000 ] - [ 0.0015818800000000, 0.0008866400000000, -0.0000804800000000 ] - [ 0.0000550900000000, 0.0008888900000000, -0.0011329400000000 ] - [ 0.0005123900000000, -0.0004355100000000, 0.0015547800000000 ] - [ 0.0005411600000000, 0.0008808800000000, 0.0015537800000000 ] - [ 0.0005763500000000, -0.0004236000000000, 0.0015587600000000 ] - [ 0.0005513000000000, -0.0000021500000000, -0.0006704700000000 ] - [ 0.0005258000000000, 0.0000188100000000, -0.0005832700000000 ] - [ 0.0004993300000000, -0.0000012100000000, -0.0004937400000000 ] - [ -0.0002173400000000, -0.0001308800000000, 0.0000093400000000 ] - [ -0.0003729600000000, 0.0000646300000000, 0.0001061900000000 ] - [ -0.0000642000000000, 0.0000667300000000, -0.0000849600000000 ] - [ 0.0001762200000000, -0.0001300500000000, -0.0001373500000000 ] - [ 0.0002436500000000, 0.0002380500000000, -0.0001882100000000 ] - [ 0.0002997700000000, -0.0001263700000000, -0.0002436000000000 ] - [ -0.0000857500000000, -0.0000917800000000, -0.0005013200000000 ] - [ 0.0010929600000000, -0.0001571400000000, -0.0016540600000000 ] - [ -0.0012645500000000, -0.0001547900000000, 0.0006443200000000 ] - [ -0.0014503200000000, -0.0004570500000000, -0.0001291400000000 ] - [ -0.0012529000000000, 0.0007780100000000, 0.0000231900000000 ] - [ -0.0010518200000000, -0.0004587800000000, 0.0001765000000000 ] - [ 0.0007729400000000, -0.0004911100000000, 0.0006885300000000 ] - [ 0.0024128200000000, -0.0002214100000000, 0.0022800200000000 ] - [ -0.0008767300000000, -0.0002138200000000, -0.0009012600000000 ]- atom: 91 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ -0.0001532000000000, 0.0000000000000000, -0.0007249300000000 ] - [ -0.0001133000000000, -0.0002779900000000, -0.0004141800000000 ] - [ -0.0001133000000000, 0.0002779900000000, -0.0004141800000000 ] - [ 0.0005733800000000, -0.0044585200000000, -0.0016268200000000 ] - [ -0.0000026600000000, 0.0000000000000000, 0.0002727000000000 ] - [ 0.0005733800000000, 0.0044585200000000, -0.0016268200000000 ] - [ 0.0029244500000000, 0.0000000000000000, 0.0006252900000000 ] - [ 0.0003568200000000, -0.0004939500000000, 0.0003565300000000 ] - [ 0.0003568200000000, 0.0004939500000000, 0.0003565300000000 ] - [ 0.0005389800000000, -0.0001372200000000, 0.0000190700000000 ] - [ 0.0003561200000000, 0.0000000000000000, -0.0001350400000000 ] - [ 0.0005389800000000, 0.0001372200000000, 0.0000190700000000 ] - [ -0.0202770600000000, 0.0000000000000000, 0.0041770400000000 ] - [ -0.0009438100000000, -0.0031640000000000, 0.0030264500000000 ] - [ -0.0009438100000000, 0.0031640000000000, 0.0030264500000000 ] - [ 0.0020275200000000, 0.0000000000000000, -0.0011713700000000 ] - [ 0.0011727200000000, 0.0008976200000000, -0.0017407700000000 ] - [ 0.0011727200000000, -0.0008976200000000, -0.0017407700000000 ] - [ 0.0026285500000000, 0.0016745500000000, 0.0102469700000000 ] - [ -0.0029408500000000, 0.0000000000000000, 0.0027590300000000 ] - [ 0.0026285500000000, -0.0016745500000000, 0.0102469700000000 ] - [ -0.0001750800000000, -0.0003059500000000, -0.0033458300000000 ] - [ 0.0002603300000000, 0.0000000000000000, -0.0015730000000000 ] - [ -0.0001750800000000, 0.0003059500000000, -0.0033458300000000 ] - [ 0.0008988500000000, -0.0003979800000000, -0.0025571600000000 ] - [ 0.0005359200000000, 0.0000000000000000, -0.0010393600000000 ] - [ 0.0008988500000000, 0.0003979800000000, -0.0025571600000000 ] - [ -0.0086693200000000, 0.0000000000000000, 0.0022868100000000 ] - [ -0.0017284500000000, 0.0011082700000000, 0.0007256100000000 ] - [ -0.0017284500000000, -0.0011082700000000, 0.0007256100000000 ] - [ -0.0006573200000000, 0.0000000000000000, -0.0009248000000000 ] - [ -0.0006768300000000, -0.0001677800000000, -0.0009590200000000 ] - [ -0.0006768300000000, 0.0001677800000000, -0.0009590200000000 ] - [ -0.0008744800000000, 0.0000000000000000, -0.0040080200000000 ] - [ -0.0003449400000000, -0.0011145800000000, -0.0016182700000000 ] - [ -0.0003449400000000, 0.0011145800000000, -0.0016182700000000 ] - [ -0.0007839000000000, -0.0003032200000000, -0.0018363900000000 ] - [ -0.0005110800000000, 0.0000000000000000, -0.0011984300000000 ] - [ -0.0007839000000000, 0.0003032200000000, -0.0018363900000000 ] - [ -0.0003552700000000, -0.0028174800000000, 0.0024257200000000 ] - [ 0.0000409300000000, 0.0000000000000000, 0.0019871000000000 ] - [ -0.0003552700000000, 0.0028174800000000, 0.0024257200000000 ] - [ -0.0016969500000000, 0.0003725300000000, -0.0038528900000000 ] - [ 0.0000437400000000, 0.0000000000000000, -0.0007690500000000 ] - [ -0.0016969500000000, -0.0003725300000000, -0.0038528900000000 ] - [ -0.0002901900000000, 0.0000000000000000, -0.0016050500000000 ] - [ -0.0003189700000000, 0.0000204000000000, -0.0011566300000000 ] - [ -0.0003189700000000, -0.0000204000000000, -0.0011566300000000 ] - [ 0.0010035100000000, -0.0002435400000000, -0.0000560800000000 ] - [ -0.0000263000000000, 0.0000000000000000, 0.0006297000000000 ] - [ 0.0010035100000000, 0.0002435400000000, -0.0000560800000000 ] - [ -0.0720518900000000, 0.0000000000000000, 0.0790547800000000 ] - [ -0.0017208700000000, -0.0009095400000000, 0.0020224200000000 ] - [ -0.0017208700000000, 0.0009095400000000, 0.0020224200000000 ] - [ 0.0012073900000000, -0.0000782800000000, -0.0010681000000000 ] - [ 0.0007739000000000, 0.0000000000000000, -0.0014951400000000 ] - [ 0.0012073900000000, 0.0000782800000000, -0.0010681000000000 ] - [ 0.0045377200000000, 0.0000000000000000, 0.0020725300000000 ] - [ 0.0053795700000000, -0.0016278700000000, 0.0007935100000000 ] - [ 0.0053795700000000, 0.0016278700000000, 0.0007935100000000 ] - [ 0.0001148400000000, 0.0048866300000000, 0.0022793900000000 ] - [ -0.0005578400000000, 0.0000000000000000, -0.0005072300000000 ] - [ 0.0001148400000000, -0.0048866300000000, 0.0022793900000000 ] - [ 0.0009205300000000, 0.0000000000000000, 0.0010778000000000 ] - [ 0.0009377300000000, 0.0001034700000000, 0.0008238200000000 ] - [ 0.0009377300000000, -0.0001034700000000, 0.0008238200000000 ] - [ 0.0002451200000000, -0.0001679000000000, 0.0029139700000000 ] - [ 0.0001497500000000, 0.0000000000000000, 0.0012614900000000 ] - [ 0.0002451200000000, 0.0001679000000000, 0.0029139700000000 ] - [ -0.0051188600000000, 0.0000000000000000, 0.0000363700000000 ] - [ -0.0078776800000000, -0.0061963700000000, -0.0010678700000000 ] - [ -0.0078776800000000, 0.0061963700000000, -0.0010678700000000 ] - [ -0.0012799400000000, 0.0007609500000000, 0.0035791000000000 ] - [ 0.0006516800000000, 0.0000000000000000, 0.0002947100000000 ] - [ -0.0012799400000000, -0.0007609500000000, 0.0035791000000000 ] - [ -0.0007913900000000, 0.0000000000000000, 0.0019822400000000 ] - [ -0.0007551400000000, -0.0002274000000000, 0.0016246900000000 ] - [ -0.0007551400000000, 0.0002274000000000, 0.0016246900000000 ] - [ -0.0001474300000000, 0.0000000000000000, -0.0003468900000000 ] - [ -0.0002227900000000, 0.0002154600000000, -0.0006306400000000 ] - [ -0.0002227900000000, -0.0002154600000000, -0.0006306400000000 ] - [ 0.0018449300000000, 0.0036126300000000, -0.0050567900000000 ] - [ -0.0002222300000000, 0.0000000000000000, -0.0019877600000000 ] - [ 0.0018449300000000, -0.0036126300000000, -0.0050567900000000 ] - [ -0.0009792300000000, 0.0008623900000000, 0.0013056600000000 ] - [ 0.0000522200000000, 0.0000000000000000, -0.0002326800000000 ] - [ -0.0009792300000000, -0.0008623900000000, 0.0013056600000000 ] - [ -0.0014884700000000, 0.0010143100000000, 0.0004557300000000 ] - [ -0.0005118200000000, 0.0000000000000000, 0.0000445200000000 ] - [ -0.0014884700000000, -0.0010143100000000, 0.0004557300000000 ] - [ 0.1399879800000000, 0.0000000000000000, -0.1322245900000000 ] - [ 0.0034569800000000, -0.0007098300000000, -0.0032180800000000 ] - [ 0.0034569800000000, 0.0007098300000000, -0.0032180800000000 ] - [ 0.0028665300000000, -0.0027538900000000, 0.0040216400000000 ] - [ 0.0004651600000000, 0.0000000000000000, 0.0007420400000000 ] - [ 0.0028665300000000, 0.0027538900000000, 0.0040216400000000 ] - [ -0.0003746300000000, 0.0001527400000000, 0.0015504900000000 ] - [ -0.0003802500000000, 0.0000000000000000, 0.0010213300000000 ] - [ -0.0003746300000000, -0.0001527400000000, 0.0015504900000000 ] - [ 0.0018835700000000, 0.0000000000000000, -0.0003310200000000 ] - [ 0.0008740100000000, -0.0003567100000000, 0.0009561500000000 ] - [ 0.0008740100000000, 0.0003567100000000, 0.0009561500000000 ] - [ -0.0000629700000000, 0.0000000000000000, 0.0006671000000000 ] - [ -0.0004216400000000, 0.0002479400000000, 0.0004159800000000 ] - [ -0.0004216400000000, -0.0002479400000000, 0.0004159800000000 ] - [ -0.0011336300000000, 0.0006415000000000, 0.0004225100000000 ] - [ -0.0003055800000000, 0.0000000000000000, -0.0005902200000000 ] - [ -0.0011336300000000, -0.0006415000000000, 0.0004225100000000 ] - [ -0.0393298100000000, 0.0000000000000000, 0.0525494700000000 ] - [ 0.0010099500000000, 0.0015399300000000, -0.0025907100000000 ] - [ 0.0010099500000000, -0.0015399300000000, -0.0025907100000000 ] - [ -0.0084886800000000, 0.0000000000000000, -0.0191794000000000 ] - [ -0.0000386900000000, 0.0004779800000000, -0.0008291700000000 ] - [ -0.0000386900000000, -0.0004779800000000, -0.0008291700000000 ] - [ 0.0092996500000000, 0.0000000000000000, -0.0012390500000000 ] - [ 0.0009862000000000, 0.0007305900000000, -0.0007493700000000 ] - [ 0.0009862000000000, -0.0007305900000000, -0.0007493700000000 ] - [ 0.0005104300000000, 0.0003314000000000, 0.0020208700000000 ] - [ 0.0009548200000000, 0.0000000000000000, 0.0025428300000000 ] - [ 0.0005104300000000, -0.0003314000000000, 0.0020208700000000 ] - [ 0.0003559700000000, 0.0000926200000000, 0.0002841800000000 ] - [ 0.0002682600000000, 0.0000000000000000, 0.0003855900000000 ] - [ 0.0003559700000000, -0.0000926200000000, 0.0002841800000000 ] - [ -0.0003951900000000, 0.0000000000000000, 0.0011500200000000 ] - [ -0.0001242300000000, 0.0002014400000000, 0.0006843200000000 ] - [ -0.0001242300000000, -0.0002014400000000, 0.0006843200000000 ] - [ 0.0016505000000000, 0.0005291500000000, 0.0005661800000000 ] - [ 0.0000157700000000, 0.0000000000000000, -0.0000482000000000 ] - [ 0.0016505000000000, -0.0005291500000000, 0.0005661800000000 ] - [ -0.0012114500000000, 0.0000000000000000, -0.0006662600000000 ] - [ -0.0010589000000000, 0.0002048200000000, -0.0000793600000000 ] - [ -0.0010589000000000, -0.0002048200000000, -0.0000793600000000 ] - [ -0.0023001700000000, -0.0002186500000000, 0.0007660100000000 ] - [ -0.0017892600000000, 0.0000000000000000, 0.0007423500000000 ] - [ -0.0023001700000000, 0.0002186500000000, 0.0007660100000000 ] - [ -0.0012315000000000, 0.0000000000000000, -0.0017941700000000 ] - [ -0.0012751700000000, 0.0010795000000000, -0.0021184400000000 ] - [ -0.0012751700000000, -0.0010795000000000, -0.0021184400000000 ]- atom: 91 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0002527000000000, 0.0000000000000000, 0.0009770200000000 ] - [ -0.0002891200000000, 0.0002776400000000, 0.0006720200000000 ] - [ -0.0002891200000000, -0.0002776400000000, 0.0006720200000000 ] - [ -0.0008052800000000, 0.0044536600000000, 0.0020950300000000 ] - [ -0.0002278400000000, 0.0000000000000000, 0.0001886500000000 ] - [ -0.0008052800000000, -0.0044536600000000, 0.0020950300000000 ] - [ -0.0027200500000000, 0.0000000000000000, -0.0010569100000000 ] - [ -0.0001328600000000, 0.0004986600000000, -0.0008195600000000 ] - [ -0.0001328600000000, -0.0004986600000000, -0.0008195600000000 ] - [ -0.0001409500000000, 0.0001397400000000, -0.0002774100000000 ] - [ 0.0000472000000000, 0.0000000000000000, -0.0001162800000000 ] - [ -0.0001409500000000, -0.0001397400000000, -0.0002774100000000 ] - [ 0.0207404900000000, 0.0000000000000000, -0.0024647100000000 ] - [ 0.0011189100000000, 0.0031997100000000, -0.0021508100000000 ] - [ 0.0011189100000000, -0.0031997100000000, -0.0021508100000000 ] - [ -0.0010122300000000, 0.0000000000000000, 0.0009411200000000 ] - [ -0.0001537300000000, -0.0008948600000000, 0.0015162000000000 ] - [ -0.0001537300000000, 0.0008948600000000, 0.0015162000000000 ] - [ -0.0023478300000000, -0.0015404600000000, -0.0086390000000000 ] - [ 0.0030763400000000, 0.0000000000000000, -0.0009314500000000 ] - [ -0.0023478300000000, 0.0015404600000000, -0.0086390000000000 ] - [ 0.0012008300000000, 0.0003108800000000, 0.0024849400000000 ] - [ 0.0007653600000000, 0.0000000000000000, 0.0007045400000000 ] - [ 0.0012008300000000, -0.0003108800000000, 0.0024849400000000 ] - [ 0.0001168500000000, 0.0003978600000000, 0.0026687400000000 ] - [ 0.0004786800000000, 0.0000000000000000, 0.0011522100000000 ] - [ 0.0001168500000000, -0.0003978600000000, 0.0026687400000000 ] - [ 0.0077440400000000, 0.0000000000000000, -0.0025113600000000 ] - [ 0.0007238600000000, -0.0011128900000000, -0.0008471900000000 ] - [ 0.0007238600000000, 0.0011128900000000, -0.0008471900000000 ] - [ -0.0003694200000000, 0.0000000000000000, 0.0018011800000000 ] - [ -0.0003478000000000, 0.0001693100000000, 0.0018410100000000 ] - [ -0.0003478000000000, -0.0001693100000000, 0.0018410100000000 ] - [ 0.0007617600000000, 0.0000000000000000, 0.0021654600000000 ] - [ 0.0002356400000000, 0.0011141700000000, -0.0002192600000000 ] - [ 0.0002356400000000, -0.0011141700000000, -0.0002192600000000 ] - [ -0.0002360700000000, 0.0003040100000000, 0.0020775400000000 ] - [ -0.0005073500000000, 0.0000000000000000, 0.0014417300000000 ] - [ -0.0002360700000000, -0.0003040100000000, 0.0020775400000000 ] - [ 0.0001930000000000, 0.0028169500000000, -0.0032988500000000 ] - [ -0.0002278200000000, 0.0000000000000000, -0.0028771300000000 ] - [ 0.0001930000000000, -0.0028169500000000, -0.0032988500000000 ] - [ 0.0015768300000000, -0.0003733800000000, 0.0035684900000000 ] - [ -0.0001629500000000, 0.0000000000000000, 0.0004897000000000 ] - [ 0.0015768300000000, 0.0003733800000000, 0.0035684900000000 ] - [ -0.0006933600000000, 0.0000000000000000, 0.0021392000000000 ] - [ -0.0006643300000000, -0.0000206000000000, 0.0016912900000000 ] - [ -0.0006643300000000, 0.0000206000000000, 0.0016912900000000 ] - [ -0.0007701600000000, 0.0002417500000000, 0.0006717300000000 ] - [ 0.0002551600000000, 0.0000000000000000, -0.0000271700000000 ] - [ -0.0007701600000000, -0.0002417500000000, 0.0006717300000000 ] - [ 0.0668379900000000, 0.0000000000000000, -0.0780760900000000 ] - [ 0.0015081300000000, 0.0009259600000000, -0.0026294300000000 ] - [ 0.0015081300000000, -0.0009259600000000, -0.0026294300000000 ] - [ -0.0002275400000000, 0.0000786100000000, 0.0005396200000000 ] - [ 0.0002105300000000, 0.0000000000000000, 0.0009753400000000 ] - [ -0.0002275400000000, -0.0000786100000000, 0.0005396200000000 ] - [ -0.0044553500000000, 0.0000000000000000, -0.0017877900000000 ] - [ -0.0052867700000000, 0.0016440000000000, -0.0005040300000000 ] - [ -0.0052867700000000, -0.0016440000000000, -0.0005040300000000 ] - [ -0.0016261600000000, -0.0048809400000000, -0.0036388700000000 ] - [ -0.0009455200000000, 0.0000000000000000, -0.0008642100000000 ] - [ -0.0016261600000000, 0.0048809400000000, -0.0036388700000000 ] - [ 0.0016091500000000, 0.0000000000000000, -0.0011180400000000 ] - [ 0.0015919900000000, -0.0001035300000000, -0.0008643000000000 ] - [ 0.0015919900000000, 0.0001035300000000, -0.0008643000000000 ] - [ -0.0000466900000000, 0.0001679600000000, -0.0019307900000000 ] - [ 0.0000485200000000, 0.0000000000000000, -0.0002808500000000 ] - [ -0.0000466900000000, -0.0001679600000000, -0.0019307900000000 ] - [ 0.0047779900000000, 0.0000000000000000, 0.0003304800000000 ] - [ 0.0074702000000000, 0.0062654900000000, 0.0014669000000000 ] - [ 0.0074702000000000, -0.0062654900000000, 0.0014669000000000 ] - [ 0.0017118300000000, -0.0007716100000000, -0.0035976500000000 ] - [ -0.0002182700000000, 0.0000000000000000, -0.0003189800000000 ] - [ 0.0017118300000000, 0.0007716100000000, -0.0035976500000000 ] - [ -0.0002666400000000, 0.0000000000000000, -0.0007981000000000 ] - [ -0.0003034200000000, 0.0002270100000000, -0.0004405400000000 ] - [ -0.0003034200000000, -0.0002270100000000, -0.0004405400000000 ] - [ -0.0009532000000000, 0.0000000000000000, -0.0027709300000000 ] - [ -0.0008782500000000, -0.0002152900000000, -0.0024874800000000 ] - [ -0.0008782500000000, 0.0002152900000000, -0.0024874800000000 ] - [ -0.0035630900000000, -0.0037308800000000, 0.0062535200000000 ] - [ -0.0014167500000000, 0.0000000000000000, 0.0032261600000000 ] - [ -0.0035630900000000, 0.0037308800000000, 0.0062535200000000 ] - [ 0.0013167200000000, -0.0008595200000000, -0.0023170600000000 ] - [ 0.0002914300000000, 0.0000000000000000, -0.0007765800000000 ] - [ 0.0013167200000000, 0.0008595200000000, -0.0023170600000000 ] - [ 0.0008854400000000, -0.0010186700000000, 0.0005257000000000 ] - [ -0.0000819300000000, 0.0000000000000000, 0.0009501500000000 ] - [ 0.0008854400000000, 0.0010186700000000, 0.0005257000000000 ] - [ -0.1341572200000000, 0.0000000000000000, 0.1296137100000000 ] - [ -0.0024308900000000, 0.0007133700000000, 0.0035215700000000 ] - [ -0.0024308900000000, -0.0007133700000000, 0.0035215700000000 ] - [ -0.0022268100000000, 0.0028142400000000, -0.0032886300000000 ] - [ 0.0002160100000000, 0.0000000000000000, 0.0000209000000000 ] - [ -0.0022268100000000, -0.0028142400000000, -0.0032886300000000 ] - [ -0.0005315700000000, -0.0001541500000000, -0.0015329900000000 ] - [ -0.0005256800000000, 0.0000000000000000, -0.0010051400000000 ] - [ -0.0005315700000000, 0.0001541500000000, -0.0015329900000000 ] - [ -0.0009948300000000, 0.0000000000000000, 0.0003289800000000 ] - [ 0.0000299100000000, 0.0003591000000000, -0.0009830700000000 ] - [ 0.0000299100000000, -0.0003591000000000, -0.0009830700000000 ] - [ -0.0006220400000000, 0.0000000000000000, -0.0014340600000000 ] - [ -0.0002626200000000, -0.0002483800000000, -0.0011838600000000 ] - [ -0.0002626200000000, 0.0002483800000000, -0.0011838600000000 ] - [ 0.0000687300000000, -0.0006406700000000, -0.0006974900000000 ] - [ -0.0007615100000000, 0.0000000000000000, 0.0003224400000000 ] - [ 0.0000687300000000, 0.0006406700000000, -0.0006974900000000 ] - [ 0.0389139700000000, 0.0000000000000000, -0.0525475000000000 ] - [ -0.0004162300000000, -0.0015453300000000, 0.0016059100000000 ] - [ -0.0004162300000000, 0.0015453300000000, 0.0016059100000000 ] - [ 0.0087068800000000, 0.0000000000000000, 0.0201809600000000 ] - [ -0.0003074100000000, -0.0004888400000000, 0.0018459900000000 ] - [ -0.0003074100000000, 0.0004888400000000, 0.0018459900000000 ] - [ -0.0076421600000000, 0.0000000000000000, 0.0000149500000000 ] - [ 0.0006392800000000, -0.0007390000000000, -0.0004776500000000 ] - [ 0.0006392800000000, 0.0007390000000000, -0.0004776500000000 ] - [ 0.0005922300000000, -0.0003345600000000, 0.0010938600000000 ] - [ 0.0001399900000000, 0.0000000000000000, 0.0005617800000000 ] - [ 0.0005922300000000, 0.0003345600000000, 0.0010938600000000 ] - [ 0.0007038900000000, -0.0000929600000000, -0.0014732500000000 ] - [ 0.0007917600000000, 0.0000000000000000, -0.0015788400000000 ] - [ 0.0007038900000000, 0.0000929600000000, -0.0014732500000000 ] - [ -0.0000369400000000, 0.0000000000000000, -0.0011311600000000 ] - [ -0.0003092300000000, -0.0002015700000000, -0.0006665200000000 ] - [ -0.0003092300000000, 0.0002015700000000, -0.0006665200000000 ] - [ -0.0011611100000000, -0.0005286600000000, -0.0009460600000000 ] - [ 0.0004702900000000, 0.0000000000000000, -0.0003329700000000 ] - [ -0.0011611100000000, 0.0005286600000000, -0.0009460600000000 ] - [ 0.0010245600000000, 0.0000000000000000, -0.0003240900000000 ] - [ 0.0008674100000000, -0.0002088400000000, -0.0009166600000000 ] - [ 0.0008674100000000, 0.0002088400000000, -0.0009166600000000 ] - [ -0.0002242100000000, 0.0002185700000000, -0.0007307200000000 ] - [ -0.0007407500000000, 0.0000000000000000, -0.0007093800000000 ] - [ -0.0002242100000000, -0.0002185700000000, -0.0007307200000000 ] - [ 0.0027710100000000, 0.0000000000000000, 0.0031699800000000 ] - [ 0.0027951300000000, -0.0010861500000000, 0.0034906100000000 ] - [ 0.0027951300000000, 0.0010861500000000, 0.0034906100000000 ]- atom: 94 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0002997300000000, 0.0000759900000000, 0.0001005000000000 ] - [ -0.0002997300000000, -0.0000759900000000, 0.0001005000000000 ] - [ -0.0002160400000000, 0.0000000000000000, -0.0000415200000000 ] - [ -0.0000528800000000, 0.0000000000000000, 0.0004613900000000 ] - [ 0.0000087300000000, -0.0000712100000000, 0.0004097700000000 ] - [ 0.0000087300000000, 0.0000712100000000, 0.0004097700000000 ] - [ -0.0008082700000000, 0.0001082900000000, 0.0005590700000000 ] - [ -0.0008082700000000, -0.0001082900000000, 0.0005590700000000 ] - [ -0.0002185300000000, 0.0000000000000000, 0.0001714000000000 ] - [ -0.0018186900000000, 0.0000000000000000, 0.0004771600000000 ] - [ -0.0014252400000000, -0.0001527300000000, 0.0003984500000000 ] - [ -0.0014252400000000, 0.0001527300000000, 0.0003984500000000 ] - [ 0.0020361500000000, 0.0036872100000000, -0.0012973600000000 ] - [ 0.0020361500000000, -0.0036872100000000, -0.0012973600000000 ] - [ 0.0006695600000000, 0.0000000000000000, 0.0007191400000000 ] - [ -0.0030993700000000, 0.0030318100000000, 0.0005712100000000 ] - [ -0.0030993700000000, -0.0030318100000000, 0.0005712100000000 ] - [ -0.0010130000000000, 0.0000000000000000, 0.0000684800000000 ] - [ 0.0055556900000000, 0.0000000000000000, -0.0079016100000000 ] - [ 0.0031483200000000, -0.0033568500000000, 0.0031888000000000 ] - [ 0.0031483200000000, 0.0033568500000000, 0.0031888000000000 ] - [ 0.0146636700000000, 0.0000000000000000, 0.0020860000000000 ] - [ 0.0029231500000000, -0.0014176600000000, -0.0023815700000000 ] - [ 0.0029231500000000, 0.0014176600000000, -0.0023815700000000 ] - [ 0.0001017500000000, 0.0000000000000000, 0.0017032100000000 ] - [ 0.0007159000000000, -0.0007490800000000, -0.0004865800000000 ] - [ 0.0007159000000000, 0.0007490800000000, -0.0004865800000000 ] - [ 0.0246392800000000, 0.0055873300000000, -0.0031757200000000 ] - [ 0.0246392800000000, -0.0055873300000000, -0.0031757200000000 ] - [ 0.0017699600000000, 0.0000000000000000, 0.0013630400000000 ] - [ 0.0011959000000000, 0.0023391100000000, -0.0019057900000000 ] - [ 0.0011959000000000, -0.0023391100000000, -0.0019057900000000 ] - [ 0.0000472500000000, 0.0000000000000000, -0.0012081400000000 ] - [ -0.0000677400000000, 0.0002640300000000, -0.0016997900000000 ] - [ -0.0000677400000000, -0.0002640300000000, -0.0016997900000000 ] - [ -0.0002162800000000, 0.0000000000000000, -0.0015525100000000 ] - [ -0.0017259500000000, 0.0000000000000000, -0.0010743500000000 ] - [ -0.0014171500000000, -0.0004339000000000, -0.0010837200000000 ] - [ -0.0014171500000000, 0.0004339000000000, -0.0010837200000000 ] - [ -0.0033797200000000, 0.0000000000000000, -0.0014864600000000 ] - [ -0.0008349200000000, -0.0009399800000000, -0.0006448400000000 ] - [ -0.0008349200000000, 0.0009399800000000, -0.0006448400000000 ] - [ -0.0002852900000000, 0.0000000000000000, -0.0009432100000000 ] - [ -0.0002298200000000, 0.0001144000000000, -0.0008771400000000 ] - [ -0.0002298200000000, -0.0001144000000000, -0.0008771400000000 ] - [ -0.0015874400000000, -0.0004282300000000, 0.0017348100000000 ] - [ -0.0015874400000000, 0.0004282300000000, 0.0017348100000000 ] - [ -0.0004400500000000, 0.0000000000000000, -0.0004820000000000 ] - [ 0.0003798100000000, 0.0000000000000000, 0.0003030900000000 ] - [ -0.0000457000000000, -0.0000259700000000, 0.0004769600000000 ] - [ -0.0000457000000000, 0.0000259700000000, 0.0004769600000000 ] - [ 0.0070475000000000, -0.0009944900000000, 0.0024343100000000 ] - [ 0.0070475000000000, 0.0009944900000000, 0.0024343100000000 ] - [ 0.0017620900000000, 0.0000000000000000, 0.0009533200000000 ] - [ -0.0027863500000000, 0.0000000000000000, -0.0084942500000000 ] - [ -0.0029802700000000, -0.0016983300000000, -0.0075611700000000 ] - [ -0.0029802700000000, 0.0016983300000000, -0.0075611700000000 ] - [ -0.0046388700000000, -0.0012758900000000, 0.0011500200000000 ] - [ -0.0046388700000000, 0.0012758900000000, 0.0011500200000000 ] - [ -0.0005331700000000, 0.0000000000000000, 0.0012128800000000 ] - [ -0.0009046700000000, 0.0000000000000000, 0.0000308400000000 ] - [ -0.0008448000000000, 0.0007133400000000, 0.0001190300000000 ] - [ -0.0008448000000000, -0.0007133400000000, 0.0001190300000000 ] - [ 0.0024322400000000, 0.0002264100000000, -0.0004934500000000 ] - [ 0.0024322400000000, -0.0002264100000000, -0.0004934500000000 ] - [ 0.0012786500000000, 0.0000000000000000, 0.0001933800000000 ] - [ 0.0003559500000000, 0.0000000000000000, 0.0012312500000000 ] - [ 0.0002903200000000, 0.0000357300000000, 0.0012684400000000 ] - [ 0.0002903200000000, -0.0000357300000000, 0.0012684400000000 ] - [ 0.0053546700000000, -0.0077654900000000, -0.0000424200000000 ] - [ 0.0053546700000000, 0.0077654900000000, -0.0000424200000000 ] - [ 0.0001789900000000, 0.0000000000000000, -0.0001084700000000 ] - [ 0.0057457100000000, 0.0000000000000000, -0.0043719000000000 ] - [ -0.0002164700000000, 0.0011090900000000, -0.0003320500000000 ] - [ -0.0002164700000000, -0.0011090900000000, -0.0003320500000000 ] - [ 0.0015653100000000, -0.0039534700000000, -0.0001824000000000 ] - [ 0.0015653100000000, 0.0039534700000000, -0.0001824000000000 ] - [ -0.0010269100000000, 0.0000000000000000, 0.0012211500000000 ] - [ -0.0005568200000000, -0.0002395500000000, -0.0019904000000000 ] - [ -0.0005568200000000, 0.0002395500000000, -0.0019904000000000 ] - [ -0.0003715600000000, 0.0000000000000000, -0.0010889100000000 ] - [ -0.0004947200000000, 0.0000000000000000, 0.0160455400000000 ] - [ -0.0006372800000000, 0.0008879900000000, -0.0003171200000000 ] - [ -0.0006372800000000, -0.0008879900000000, -0.0003171200000000 ] - [ 0.0000081500000000, 0.0000000000000000, -0.0009029100000000 ] - [ 0.0002287900000000, 0.0000449200000000, -0.0003940200000000 ] - [ 0.0002287900000000, -0.0000449200000000, -0.0003940200000000 ] - [ 0.0007136200000000, 0.0000000000000000, 0.0003095800000000 ] - [ 0.0001127200000000, 0.0000109300000000, 0.0002736300000000 ] - [ 0.0001127200000000, -0.0000109300000000, 0.0002736300000000 ] - [ -0.0032023600000000, -0.0020560400000000, 0.0018974400000000 ] - [ -0.0032023600000000, 0.0020560400000000, 0.0018974400000000 ] - [ -0.0009729000000000, 0.0000000000000000, -0.0000938800000000 ] - [ -0.0724743400000000, 0.0000000000000000, -0.0046908800000000 ] - [ -0.0082484300000000, -0.0029640000000000, 0.0007491900000000 ] - [ -0.0082484300000000, 0.0029640000000000, 0.0007491900000000 ] - [ -0.0074366400000000, 0.0000000000000000, -0.0076285100000000 ] - [ -0.0004576400000000, 0.0002640600000000, 0.0009882600000000 ] - [ -0.0004576400000000, -0.0002640600000000, 0.0009882600000000 ] - [ -0.0036851200000000, -0.0004258700000000, 0.0039217700000000 ] - [ -0.0036851200000000, 0.0004258700000000, 0.0039217700000000 ] - [ -0.0003352900000000, 0.0000000000000000, 0.0013008200000000 ] - [ -0.0005223100000000, -0.0008255800000000, -0.0001497700000000 ] - [ -0.0005223100000000, 0.0008255800000000, -0.0001497700000000 ] - [ -0.0006758100000000, 0.0000000000000000, 0.0002889900000000 ] - [ -0.0005289700000000, 0.0000000000000000, 0.0001699400000000 ] - [ -0.0003168700000000, 0.0001486800000000, -0.0001526200000000 ] - [ -0.0003168700000000, -0.0001486800000000, -0.0001526200000000 ] - [ -0.0019310700000000, 0.0002649100000000, -0.0018025700000000 ] - [ -0.0019310700000000, -0.0002649100000000, -0.0018025700000000 ] - [ -0.0002881400000000, 0.0000000000000000, -0.0012358000000000 ] - [ -0.0034146500000000, -0.0000199800000000, -0.0053674000000000 ] - [ -0.0034146500000000, 0.0000199800000000, -0.0053674000000000 ] - [ -0.0008987800000000, 0.0000000000000000, -0.0010884400000000 ] - [ 0.0011377600000000, -0.0007261100000000, -0.0001591300000000 ] - [ 0.0011377600000000, 0.0007261100000000, -0.0001591300000000 ] - [ 0.0006728900000000, 0.0000000000000000, -0.0003100800000000 ] - [ 0.0071228900000000, 0.0000000000000000, 0.0075958700000000 ] - [ 0.0071246000000000, -0.0077852300000000, 0.0099501600000000 ] - [ 0.0071246000000000, 0.0077852300000000, 0.0099501600000000 ] - [ 0.0002834900000000, 0.0000000000000000, 0.0022659300000000 ] - [ 0.0000620000000000, 0.0006218200000000, 0.0025349300000000 ] - [ 0.0000620000000000, -0.0006218200000000, 0.0025349300000000 ] - [ -0.0002571800000000, -0.0001459700000000, 0.0004637600000000 ] - [ -0.0002571800000000, 0.0001459700000000, 0.0004637600000000 ] - [ 0.0000050000000000, 0.0000000000000000, 0.0004380400000000 ] - [ 0.0004538200000000, 0.0000000000000000, 0.0001465500000000 ] - [ 0.0003070100000000, 0.0001419300000000, 0.0000214900000000 ] - [ 0.0003070100000000, -0.0001419300000000, 0.0000214900000000 ] - [ 0.0023114200000000, 0.0000489100000000, -0.0017333300000000 ] - [ 0.0023114200000000, -0.0000489100000000, -0.0017333300000000 ] - [ 0.0008863800000000, 0.0000000000000000, -0.0012127900000000 ] - [ 0.0029193100000000, 0.0000000000000000, 0.0017792900000000 ] - [ 0.0027661700000000, 0.0011659500000000, 0.0015009600000000 ] - [ 0.0027661700000000, -0.0011659500000000, 0.0015009600000000 ] - [ 0.0025522200000000, 0.0000860500000000, 0.0011890700000000 ] - [ 0.0025522200000000, -0.0000860500000000, 0.0011890700000000 ] - [ 0.0010507500000000, 0.0000000000000000, 0.0000370500000000 ]- atom: 94 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ -0.0001049000000000, -0.0000759400000000, 0.0001432100000000 ] - [ -0.0001049000000000, 0.0000759400000000, 0.0001432100000000 ] - [ -0.0001898500000000, 0.0000000000000000, 0.0002844500000000 ] - [ -0.0001709500000000, 0.0000000000000000, 0.0000112000000000 ] - [ -0.0002319700000000, 0.0000709600000000, 0.0000591200000000 ] - [ -0.0002319700000000, -0.0000709600000000, 0.0000591200000000 ] - [ 0.0010340300000000, -0.0001076900000000, -0.0010177100000000 ] - [ 0.0010340300000000, 0.0001076900000000, -0.0010177100000000 ] - [ 0.0004470200000000, 0.0000000000000000, -0.0006355300000000 ] - [ 0.0022247100000000, 0.0000000000000000, -0.0007226000000000 ] - [ 0.0018261600000000, 0.0001509000000000, -0.0006404200000000 ] - [ 0.0018261600000000, -0.0001509000000000, -0.0006404200000000 ] - [ -0.0018316200000000, -0.0036617800000000, 0.0021653900000000 ] - [ -0.0018316200000000, 0.0036617800000000, 0.0021653900000000 ] - [ -0.0004796200000000, 0.0000000000000000, 0.0001496200000000 ] - [ 0.0041252600000000, -0.0030076100000000, -0.0007837000000000 ] - [ 0.0041252600000000, 0.0030076100000000, -0.0007837000000000 ] - [ 0.0020289300000000, 0.0000000000000000, -0.0002959300000000 ] - [ -0.0048496600000000, 0.0000000000000000, 0.0100255800000000 ] - [ -0.0030259000000000, 0.0033490500000000, -0.0013462300000000 ] - [ -0.0030259000000000, -0.0033490500000000, -0.0013462300000000 ] - [ -0.0134919700000000, 0.0000000000000000, -0.0031984300000000 ] - [ -0.0018869300000000, 0.0014425600000000, 0.0015283900000000 ] - [ -0.0018869300000000, -0.0014425600000000, 0.0015283900000000 ] - [ 0.0009124500000000, 0.0000000000000000, -0.0016089200000000 ] - [ 0.0002999800000000, 0.0007517100000000, 0.0005834200000000 ] - [ 0.0002999800000000, -0.0007517100000000, 0.0005834200000000 ] - [ -0.0262160600000000, -0.0064121100000000, 0.0030702900000000 ] - [ -0.0262160600000000, 0.0064121100000000, 0.0030702900000000 ] - [ -0.0027630500000000, 0.0000000000000000, -0.0014491100000000 ] - [ -0.0022344200000000, -0.0023398300000000, 0.0027563100000000 ] - [ -0.0022344200000000, 0.0023398300000000, 0.0027563100000000 ] - [ -0.0010737900000000, 0.0000000000000000, 0.0020791700000000 ] - [ -0.0000473000000000, -0.0002629000000000, -0.0001606300000000 ] - [ -0.0000473000000000, 0.0002629000000000, -0.0001606300000000 ] - [ 0.0001019300000000, 0.0000000000000000, -0.0003037100000000 ] - [ 0.0007052200000000, 0.0000000000000000, 0.0013110100000000 ] - [ 0.0003942800000000, 0.0004358400000000, 0.0013141300000000 ] - [ 0.0003942800000000, -0.0004358400000000, 0.0013141300000000 ] - [ 0.0031663000000000, 0.0000000000000000, 0.0006021300000000 ] - [ 0.0006405600000000, 0.0009343500000000, -0.0002336300000000 ] - [ 0.0006405600000000, -0.0009343500000000, -0.0002336300000000 ] - [ 0.0001560200000000, 0.0000000000000000, 0.0006405200000000 ] - [ 0.0001007500000000, -0.0001135800000000, 0.0005752400000000 ] - [ 0.0001007500000000, 0.0001135800000000, 0.0005752400000000 ] - [ 0.0006218900000000, 0.0004368400000000, -0.0012334600000000 ] - [ 0.0006218900000000, -0.0004368400000000, -0.0012334600000000 ] - [ -0.0005404000000000, 0.0000000000000000, 0.0010088900000000 ] - [ -0.0001556600000000, 0.0000000000000000, 0.0002914900000000 ] - [ 0.0002704700000000, 0.0000260100000000, 0.0001204800000000 ] - [ 0.0002704700000000, -0.0000260100000000, 0.0001204800000000 ] - [ -0.0072665500000000, 0.0009792500000000, -0.0030261200000000 ] - [ -0.0072665500000000, -0.0009792500000000, -0.0030261200000000 ] - [ -0.0019817300000000, 0.0000000000000000, -0.0015535300000000 ] - [ 0.0037415200000000, 0.0000000000000000, 0.0079955400000000 ] - [ 0.0039449700000000, 0.0016900200000000, 0.0070090400000000 ] - [ 0.0039449700000000, -0.0016900200000000, 0.0070090400000000 ] - [ 0.0047408200000000, 0.0012690900000000, -0.0008525600000000 ] - [ 0.0047408200000000, -0.0012690900000000, -0.0008525600000000 ] - [ 0.0006544000000000, 0.0000000000000000, -0.0009141100000000 ] - [ -0.0005988200000000, 0.0000000000000000, -0.0013778000000000 ] - [ -0.0006570500000000, -0.0007086100000000, -0.0014651600000000 ] - [ -0.0006570500000000, 0.0007086100000000, -0.0014651600000000 ] - [ 0.0000830200000000, -0.0002290000000000, 0.0004565100000000 ] - [ 0.0000830200000000, 0.0002290000000000, 0.0004565100000000 ] - [ 0.0012486300000000, 0.0000000000000000, -0.0002315400000000 ] - [ -0.0001582300000000, 0.0000000000000000, -0.0002344000000000 ] - [ -0.0000911900000000, -0.0000361500000000, -0.0002712100000000 ] - [ -0.0000911900000000, 0.0000361500000000, -0.0002712100000000 ] - [ -0.0058126000000000, 0.0077099800000000, 0.0004140700000000 ] - [ -0.0058126000000000, -0.0077099800000000, 0.0004140700000000 ] - [ -0.0006655100000000, 0.0000000000000000, 0.0004854700000000 ] - [ -0.0052232200000000, 0.0000000000000000, 0.0042872900000000 ] - [ 0.0006450400000000, -0.0011028300000000, 0.0003039700000000 ] - [ 0.0006450400000000, 0.0011028300000000, 0.0003039700000000 ] - [ -0.0026542300000000, 0.0040042000000000, 0.0013972100000000 ] - [ -0.0026542300000000, -0.0040042000000000, 0.0013972100000000 ] - [ -0.0000361700000000, 0.0000000000000000, -0.0000311500000000 ] - [ -0.0005427900000000, 0.0002387800000000, -0.0011145800000000 ] - [ -0.0005427900000000, -0.0002387800000000, -0.0011145800000000 ] - [ -0.0007290500000000, 0.0000000000000000, -0.0020244100000000 ] - [ -0.0011375700000000, 0.0000000000000000, -0.0146550600000000 ] - [ -0.0009950800000000, -0.0008849000000000, 0.0015388100000000 ] - [ -0.0009950800000000, 0.0008849000000000, 0.0015388100000000 ] - [ 0.0003371600000000, 0.0000000000000000, -0.0000987700000000 ] - [ 0.0001142000000000, -0.0000449500000000, -0.0006079600000000 ] - [ 0.0001142000000000, 0.0000449500000000, -0.0006079600000000 ] - [ -0.0013010000000000, 0.0000000000000000, 0.0006907900000000 ] - [ -0.0007053400000000, -0.0000098500000000, 0.0007253000000000 ] - [ -0.0007053400000000, 0.0000098500000000, 0.0007253000000000 ] - [ 0.0042268400000000, 0.0020532900000000, -0.0016385400000000 ] - [ 0.0042268400000000, -0.0020532900000000, -0.0016385400000000 ] - [ 0.0020311700000000, 0.0000000000000000, 0.0003675100000000 ] - [ 0.0735658000000000, 0.0000000000000000, 0.0052679300000000 ] - [ 0.0089753700000000, 0.0030054100000000, 0.0000071000000000 ] - [ 0.0089753700000000, -0.0030054100000000, 0.0000071000000000 ] - [ 0.0065436400000000, 0.0000000000000000, 0.0076389700000000 ] - [ -0.0004517100000000, -0.0002690700000000, -0.0009622000000000 ] - [ -0.0004517100000000, 0.0002690700000000, -0.0009622000000000 ] - [ 0.0045986000000000, 0.0004595500000000, -0.0038975200000000 ] - [ 0.0045986000000000, -0.0004595500000000, -0.0038975200000000 ] - [ 0.0012431100000000, 0.0000000000000000, -0.0013258400000000 ] - [ -0.0001605300000000, 0.0008272000000000, -0.0006083700000000 ] - [ -0.0001605300000000, -0.0008272000000000, -0.0006083700000000 ] - [ -0.0000051300000000, 0.0000000000000000, -0.0010493000000000 ] - [ -0.0005339200000000, 0.0000000000000000, -0.0004327500000000 ] - [ -0.0007464700000000, -0.0001482200000000, -0.0001126800000000 ] - [ -0.0007464700000000, 0.0001482200000000, -0.0001126800000000 ] - [ 0.0025200800000000, -0.0002605800000000, 0.0008055000000000 ] - [ 0.0025200800000000, 0.0002605800000000, 0.0008055000000000 ] - [ 0.0008803700000000, 0.0000000000000000, 0.0002381200000000 ] - [ 0.0030553700000000, 0.0000212200000000, 0.0063653300000000 ] - [ 0.0030553700000000, -0.0000212200000000, 0.0063653300000000 ] - [ 0.0005530300000000, 0.0000000000000000, 0.0020911500000000 ] - [ 0.0004997100000000, 0.0007209500000000, -0.0010535800000000 ] - [ 0.0004997100000000, -0.0007209500000000, -0.0010535800000000 ] - [ 0.0009609400000000, 0.0000000000000000, -0.0009054200000000 ] - [ -0.0061534100000000, 0.0000000000000000, -0.0045498100000000 ] - [ -0.0060291000000000, 0.0077669300000000, -0.0068201400000000 ] - [ -0.0060291000000000, -0.0077669300000000, -0.0068201400000000 ] - [ 0.0007860100000000, 0.0000000000000000, -0.0034632400000000 ] - [ 0.0010013700000000, -0.0006226800000000, -0.0037173400000000 ] - [ 0.0010013700000000, 0.0006226800000000, -0.0037173400000000 ] - [ -0.0001728500000000, 0.0001451600000000, -0.0004373200000000 ] - [ -0.0001728500000000, -0.0001451600000000, -0.0004373200000000 ] - [ -0.0004387000000000, 0.0000000000000000, -0.0004121600000000 ] - [ 0.0000400300000000, 0.0000000000000000, -0.0005217900000000 ] - [ 0.0001861500000000, -0.0001415800000000, -0.0003977700000000 ] - [ 0.0001861500000000, 0.0001415800000000, -0.0003977700000000 ] - [ -0.0025025400000000, -0.0000493500000000, 0.0007299300000000 ] - [ -0.0025025400000000, 0.0000493500000000, 0.0007299300000000 ] - [ -0.0010818800000000, 0.0000000000000000, 0.0002160800000000 ] - [ -0.0054579500000000, 0.0000000000000000, -0.0017612500000000 ] - [ -0.0052778800000000, -0.0011601000000000, -0.0014616000000000 ] - [ -0.0052778800000000, 0.0011601000000000, -0.0014616000000000 ] - [ -0.0010417700000000, -0.0000855000000000, 0.0001705700000000 ] - [ -0.0010417700000000, 0.0000855000000000, 0.0001705700000000 ] - [ 0.0004526000000000, 0.0000000000000000, 0.0013157800000000 ]- atom: 94 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002594100000000, 0.0000958100000000, 0.0001315100000000 ] - [ -0.0001479500000000, 0.0000966300000000, 0.0001096800000000 ] - [ -0.0002076200000000, -0.0001813300000000, 0.0001156000000000 ] - [ -0.0001137000000000, 0.0007483700000000, 0.0002295700000000 ] - [ -0.0001045900000000, -0.0003650600000000, 0.0000042700000000 ] - [ -0.0001232500000000, -0.0003658200000000, 0.0004499700000000 ] - [ -0.0007958300000000, 0.0002823800000000, 0.0006206300000000 ] - [ 0.0010274400000000, 0.0002837200000000, -0.0010929400000000 ] - [ 0.0001150500000000, -0.0004829900000000, -0.0002338000000000 ] - [ 0.0002090500000000, 0.0010221700000000, -0.0001214500000000 ] - [ 0.0019880700000000, -0.0005041000000000, -0.0005837100000000 ] - [ -0.0015694900000000, -0.0005026100000000, 0.0003386500000000 ] - [ 0.0020188200000000, 0.0006849100000000, 0.0021832800000000 ] - [ -0.0018446900000000, 0.0007129200000000, -0.0013086800000000 ] - [ 0.0000927300000000, -0.0014720100000000, 0.0004336800000000 ] - [ -0.0004960700000000, 0.0014291100000000, -0.0006016300000000 ] - [ 0.0015380600000000, 0.0014523000000000, 0.0003767600000000 ] - [ 0.0005137100000000, -0.0026395700000000, -0.0001157200000000 ] - [ 0.0000527900000000, 0.0098386100000000, 0.0009534600000000 ] - [ -0.0032112400000000, -0.0020607200000000, -0.0006835700000000 ] - [ 0.0032884700000000, -0.0020669500000000, 0.0025123200000000 ] - [ 0.0004946400000000, 0.0137527300000000, -0.0004545000000000 ] - [ -0.0023342800000000, -0.0035027300000000, 0.0022969200000000 ] - [ 0.0033395800000000, -0.0035110000000000, -0.0031383300000000 ] - [ 0.0005085600000000, 0.0009262700000000, 0.0000426500000000 ] - [ 0.0001904100000000, -0.0004900800000000, 0.0003609400000000 ] - [ 0.0008220100000000, -0.0004966300000000, -0.0002529500000000 ] - [ 0.0107242900000000, 0.0137267800000000, -0.0063286600000000 ] - [ -0.0127567100000000, 0.0149591100000000, 0.0062423200000000 ] - [ -0.0005058400000000, -0.0136275000000000, -0.0000511200000000 ] - [ -0.0014231200000000, 0.0013178900000000, -0.0036526500000000 ] - [ 0.0003870300000000, 0.0013439400000000, 0.0045520300000000 ] - [ -0.0005137100000000, -0.0028052300000000, 0.0004445200000000 ] - [ -0.0001465000000000, 0.0002492500000000, -0.0011939600000000 ] - [ 0.0000346000000000, 0.0002510800000000, -0.0006511100000000 ] - [ -0.0000553700000000, -0.0004962200000000, -0.0009227900000000 ] - [ -0.0005045800000000, 0.0012549300000000, 0.0001180200000000 ] - [ 0.0002193300000000, -0.0006682300000000, 0.0012596200000000 ] - [ -0.0012319600000000, -0.0006729600000000, -0.0010194000000000 ] - [ -0.0000841200000000, 0.0010506600000000, -0.0004332100000000 ] - [ -0.0000625200000000, -0.0005123300000000, -0.0005351300000000 ] - [ -0.0001239100000000, -0.0005182600000000, -0.0003373800000000 ] - [ -0.0000619800000000, -0.0000629500000000, -0.0001457200000000 ] - [ -0.0003026900000000, 0.0000332600000000, -0.0001112000000000 ] - [ 0.0001779600000000, 0.0000340500000000, -0.0001789700000000 ] - [ -0.0007287000000000, -0.0005275000000000, 0.0007161200000000 ] - [ -0.0002380800000000, -0.0005351100000000, -0.0002120900000000 ] - [ -0.0004914400000000, 0.0004051300000000, 0.0002674400000000 ] - [ 0.0001117800000000, 0.0000408800000000, 0.0003005900000000 ] - [ 0.0002972800000000, -0.0000145900000000, 0.0000544200000000 ] - [ -0.0000697500000000, -0.0000148200000000, 0.0005447700000000 ] - [ 0.0025125100000000, -0.0004632900000000, 0.0029689700000000 ] - [ -0.0027538600000000, -0.0004581600000000, -0.0035766200000000 ] - [ -0.0001200900000000, -0.0003998700000000, -0.0003069600000000 ] - [ 0.0004987800000000, -0.0013560000000000, -0.0002606700000000 ] - [ 0.0045089300000000, 0.0029275200000000, 0.0082797800000000 ] - [ -0.0035076300000000, 0.0029199600000000, -0.0087872600000000 ] - [ -0.0012807000000000, -0.0005565400000000, 0.0009967700000000 ] - [ 0.0014338000000000, -0.0005647800000000, -0.0007077800000000 ] - [ 0.0000634400000000, 0.0002939000000000, 0.0001443400000000 ] - [ -0.0007509000000000, -0.0008434700000000, -0.0006784700000000 ] - [ -0.0006272600000000, 0.0004057800000000, -0.0006822200000000 ] - [ -0.0008735600000000, 0.0004103700000000, -0.0006765300000000 ] - [ 0.0015824600000000, -0.0000521100000000, -0.0000728000000000 ] - [ 0.0009297400000000, -0.0000496100000000, 0.0000417500000000 ] - [ 0.0012641400000000, 0.0003235300000000, -0.0000197200000000 ] - [ 0.0000985400000000, -0.0001163400000000, 0.0004954700000000 ] - [ -0.0000737800000000, 0.0000625900000000, 0.0001647300000000 ] - [ 0.0002715300000000, 0.0000622100000000, 0.0008238800000000 ] - [ 0.0019893600000000, -0.0020158400000000, 0.0000905800000000 ] - [ -0.0025148200000000, -0.0020738800000000, 0.0002899000000000 ] - [ -0.0002432800000000, 0.0014497200000000, 0.0001905100000000 ] - [ 0.0001988800000000, -0.0020967100000000, -0.0000056500000000 ] - [ 0.0012119100000000, 0.0005028900000000, -0.0004635000000000 ] - [ -0.0007735800000000, 0.0005081900000000, 0.0004396800000000 ] - [ 0.0006258100000000, -0.0017794400000000, -0.0002964800000000 ] - [ -0.0017148700000000, -0.0018448700000000, 0.0015017600000000 ] - [ -0.0005272200000000, 0.0014882900000000, 0.0005913900000000 ] - [ -0.0005258500000000, -0.0000819800000000, -0.0016232700000000 ] - [ -0.0005730800000000, -0.0000836200000000, -0.0014815300000000 ] - [ -0.0005501500000000, 0.0002617600000000, -0.0015581800000000 ] - [ -0.0008153700000000, -0.0006058300000000, 0.0005551900000000 ] - [ -0.0004889800000000, 0.0007823900000000, 0.0015949900000000 ] - [ -0.0011434000000000, 0.0007887900000000, -0.0003648900000000 ] - [ 0.0001726100000000, -0.0001983700000000, -0.0005012100000000 ] - [ 0.0000983300000000, 0.0001107100000000, -0.0004994800000000 ] - [ 0.0002445500000000, 0.0001109500000000, -0.0005070000000000 ] - [ -0.0003004400000000, -0.0004803300000000, 0.0004994300000000 ] - [ -0.0005174300000000, 0.0002435100000000, 0.0007892000000000 ] - [ -0.0000798200000000, 0.0002434000000000, 0.0002114900000000 ] - [ -0.0039061500000000, 0.0006725400000000, -0.0037842100000000 ] - [ 0.0049977800000000, 0.0006712500000000, 0.0041014500000000 ] - [ 0.0005372200000000, 0.0008582900000000, 0.0001370000000000 ] - [ 0.0014991000000000, -0.0641353500000000, 0.0004277100000000 ] - [ 0.0033172500000000, 0.0066729200000000, 0.0000727800000000 ] - [ -0.0026594000000000, 0.0066451700000000, 0.0006846800000000 ] - [ -0.0004118800000000, -0.0008259400000000, 0.0000505300000000 ] - [ -0.0008061200000000, 0.0012093600000000, -0.0013746100000000 ] - [ -0.0001004900000000, 0.0012117700000000, 0.0013888800000000 ] - [ -0.0010491700000000, 0.0024839500000000, 0.0109923100000000 ] - [ 0.0019179700000000, 0.0024954400000000, -0.0111307500000000 ] - [ 0.0004564900000000, 0.0020241100000000, -0.0000193100000000 ] - [ -0.0011762800000000, -0.0000458100000000, 0.0005053300000000 ] - [ 0.0004990400000000, -0.0000537400000000, -0.0012730300000000 ] - [ -0.0003399400000000, 0.0004814500000000, -0.0003842400000000 ] - [ -0.0005318800000000, -0.0002713300000000, -0.0001344600000000 ] - [ -0.0007559800000000, 0.0001413800000000, 0.0000679100000000 ] - [ -0.0003101800000000, 0.0001423700000000, -0.0003342100000000 ] - [ -0.0004600700000000, -0.0001700100000000, -0.0031145700000000 ] - [ 0.0010608200000000, -0.0001705500000000, 0.0021246400000000 ] - [ 0.0003000200000000, 0.0003186000000000, -0.0004949300000000 ] - [ -0.0030945200000000, -0.0010643800000000, -0.0052291400000000 ] - [ 0.0027562100000000, -0.0010679300000000, 0.0062630800000000 ] - [ -0.0001681100000000, 0.0007149100000000, 0.0005116800000000 ] - [ 0.0001189500000000, -0.0001953300000000, -0.0004940700000000 ] - [ 0.0015153600000000, -0.0002002600000000, -0.0007275400000000 ] - [ 0.0008177000000000, 0.0004941200000000, -0.0006101000000000 ] - [ 0.0005549900000000, -0.0095317700000000, 0.0015450600000000 ] - [ -0.0071359400000000, 0.0137791500000000, -0.0090234200000000 ] - [ 0.0081930100000000, 0.0137075400000000, 0.0120943500000000 ] - [ 0.0005292000000000, -0.0004663300000000, -0.0005970400000000 ] - [ 0.0010789300000000, -0.0000306200000000, -0.0042911600000000 ] - [ -0.0000165500000000, -0.0000239000000000, 0.0030864800000000 ] - [ 0.0008526400000000, -0.0003836100000000, 0.0004069300000000 ] - [ -0.0012920000000000, -0.0003857800000000, -0.0003877100000000 ] - [ -0.0002185000000000, 0.0008811000000000, 0.0000104800000000 ] - [ 0.0002447900000000, -0.0003329700000000, -0.0001898500000000 ] - [ 0.0004680000000000, 0.0001607600000000, -0.0001914600000000 ] - [ 0.0000226400000000, 0.0001620300000000, -0.0001876100000000 ] - [ 0.0011621700000000, -0.0004133100000000, -0.0007932800000000 ] - [ -0.0013806200000000, -0.0004144100000000, -0.0001943500000000 ] - [ -0.0001027700000000, 0.0009438300000000, -0.0004943200000000 ] - [ -0.0012684500000000, 0.0002907200000000, 0.0000193500000000 ] - [ -0.0054713600000000, -0.0009195700000000, -0.0017852300000000 ] - [ 0.0029248200000000, -0.0009113800000000, 0.0018182100000000 ] - [ 0.0015097000000000, -0.0000658400000000, 0.0003779900000000 ] - [ -0.0000200200000000, -0.0000659600000000, 0.0009750000000000 ] - [ 0.0007497600000000, 0.0003123700000000, 0.0006800900000000 ]- atom: 94 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0000557900000000, -0.0000730400000000, -0.0003747300000000 ] - [ 0.0000557900000000, 0.0000730400000000, -0.0003747300000000 ] - [ -0.0000429200000000, 0.0000000000000000, -0.0001735500000000 ] - [ 0.0002419700000000, 0.0000000000000000, -0.0005622100000000 ] - [ 0.0001349700000000, -0.0002136200000000, -0.0003005900000000 ] - [ 0.0001349700000000, 0.0002136200000000, -0.0003005900000000 ] - [ 0.0007713900000000, 0.0000393000000000, -0.0008430700000000 ] - [ 0.0007713900000000, -0.0000393000000000, -0.0008430700000000 ] - [ 0.0002544900000000, 0.0000000000000000, -0.0004326600000000 ] - [ 0.0006277900000000, 0.0000000000000000, 0.0003931100000000 ] - [ 0.0007183600000000, 0.0000190600000000, 0.0000451500000000 ] - [ 0.0007183600000000, -0.0000190600000000, 0.0000451500000000 ] - [ -0.0012449200000000, 0.0008141600000000, -0.0023755300000000 ] - [ -0.0012449200000000, -0.0008141600000000, -0.0023755300000000 ] - [ -0.0000773700000000, 0.0000000000000000, -0.0005666100000000 ] - [ 0.0035275500000000, -0.0012569700000000, 0.0029056400000000 ] - [ 0.0035275500000000, 0.0012569700000000, 0.0029056400000000 ] - [ 0.0017428200000000, 0.0000000000000000, 0.0012073900000000 ] - [ -0.0072324200000000, 0.0000000000000000, 0.0051145000000000 ] - [ -0.0006741100000000, -0.0020536500000000, 0.0028400300000000 ] - [ -0.0006741100000000, 0.0020536500000000, 0.0028400300000000 ] - [ -0.0057677300000000, 0.0000000000000000, 0.0062514900000000 ] - [ 0.0006518000000000, 0.0040675400000000, 0.0026285600000000 ] - [ 0.0006518000000000, -0.0040675400000000, 0.0026285600000000 ] - [ 0.0013193100000000, 0.0000000000000000, -0.0045626300000000 ] - [ 0.0005863700000000, 0.0010014900000000, -0.0016432000000000 ] - [ 0.0005863700000000, -0.0010014900000000, -0.0016432000000000 ] - [ -0.0047162200000000, 0.0023971200000000, 0.0159733700000000 ] - [ -0.0047162200000000, -0.0023971200000000, 0.0159733700000000 ] - [ -0.0017369800000000, 0.0000000000000000, 0.0014232400000000 ] - [ -0.0037879700000000, -0.0030710700000000, -0.0012209900000000 ] - [ -0.0037879700000000, 0.0030710700000000, -0.0012209900000000 ] - [ -0.0014899100000000, 0.0000000000000000, 0.0007188700000000 ] - [ -0.0007717500000000, -0.0000272500000000, -0.0032674200000000 ] - [ -0.0007717500000000, 0.0000272500000000, -0.0032674200000000 ] - [ -0.0004949000000000, 0.0000000000000000, -0.0025655400000000 ] - [ -0.0001549200000000, 0.0000000000000000, -0.0003627400000000 ] - [ -0.0003465900000000, 0.0007351400000000, 0.0000407300000000 ] - [ -0.0003465900000000, -0.0007351400000000, 0.0000407300000000 ] - [ -0.0010898400000000, 0.0000000000000000, -0.0017351700000000 ] - [ -0.0006429600000000, -0.0003500800000000, -0.0014403500000000 ] - [ -0.0006429600000000, 0.0003500800000000, -0.0014403500000000 ] - [ -0.0004937100000000, 0.0000000000000000, -0.0020949100000000 ] - [ -0.0004998600000000, 0.0000293800000000, -0.0016275700000000 ] - [ -0.0004998600000000, -0.0000293800000000, -0.0016275700000000 ] - [ 0.0020532800000000, 0.0011128100000000, -0.0039865500000000 ] - [ 0.0020532800000000, -0.0011128100000000, -0.0039865500000000 ] - [ -0.0000087700000000, 0.0000000000000000, -0.0000008800000000 ] - [ -0.0007077000000000, 0.0000000000000000, -0.0012629600000000 ] - [ -0.0002842200000000, 0.0000093800000000, -0.0008306100000000 ] - [ -0.0002842200000000, -0.0000093800000000, -0.0008306100000000 ] - [ 0.0004481700000000, 0.0008886300000000, -0.0040305500000000 ] - [ 0.0004481700000000, -0.0008886300000000, -0.0040305500000000 ] - [ 0.0000874900000000, 0.0000000000000000, -0.0005701700000000 ] - [ 0.0009053700000000, 0.0000000000000000, 0.0028558900000000 ] - [ 0.0014731000000000, 0.0007455100000000, 0.0042604000000000 ] - [ 0.0014731000000000, -0.0007455100000000, 0.0042604000000000 ] - [ -0.0024964100000000, -0.0007176900000000, 0.0012217700000000 ] - [ -0.0024964100000000, 0.0007176900000000, 0.0012217700000000 ] - [ -0.0007595900000000, 0.0000000000000000, 0.0006174100000000 ] - [ -0.0005508600000000, 0.0000000000000000, 0.0009713300000000 ] - [ -0.0005653700000000, 0.0003551600000000, 0.0006308900000000 ] - [ -0.0005653700000000, -0.0003551600000000, 0.0006308900000000 ] - [ -0.0010670100000000, -0.0003686300000000, 0.0006848200000000 ] - [ -0.0010670100000000, 0.0003686300000000, 0.0006848200000000 ] - [ 0.0008505400000000, 0.0000000000000000, -0.0001075100000000 ] - [ -0.0001243400000000, 0.0000000000000000, 0.0018797600000000 ] - [ -0.0000906100000000, -0.0001602500000000, 0.0014688200000000 ] - [ -0.0000906100000000, 0.0001602500000000, 0.0014688200000000 ] - [ 0.0027575500000000, -0.0037383900000000, -0.0002777500000000 ] - [ 0.0027575500000000, 0.0037383900000000, -0.0002777500000000 ] - [ 0.0006675200000000, 0.0000000000000000, -0.0000910100000000 ] - [ -0.0029657900000000, 0.0000000000000000, -0.0048312100000000 ] - [ -0.0001540900000000, -0.0003841400000000, -0.0018432200000000 ] - [ -0.0001540900000000, 0.0003841400000000, -0.0018432200000000 ] - [ -0.0059729500000000, 0.0082724400000000, 0.0035380800000000 ] - [ -0.0059729500000000, -0.0082724400000000, 0.0035380800000000 ] - [ -0.0012607000000000, 0.0000000000000000, 0.0008327900000000 ] - [ -0.0004128300000000, 0.0001965600000000, 0.0000351800000000 ] - [ -0.0004128300000000, -0.0001965600000000, 0.0000351800000000 ] - [ -0.0007398100000000, 0.0000000000000000, -0.0014705200000000 ] - [ -0.0007261100000000, 0.0000000000000000, 0.0043426400000000 ] - [ -0.0002333000000000, 0.0007769600000000, 0.0010364800000000 ] - [ -0.0002333000000000, -0.0007769600000000, 0.0010364800000000 ] - [ 0.0006195500000000, 0.0000000000000000, 0.0017972300000000 ] - [ 0.0003349700000000, -0.0000128900000000, 0.0007886800000000 ] - [ 0.0003349700000000, 0.0000128900000000, 0.0007886800000000 ] - [ -0.0000704500000000, 0.0000000000000000, 0.0019041400000000 ] - [ -0.0002199300000000, 0.0001488200000000, 0.0014500100000000 ] - [ -0.0002199300000000, -0.0001488200000000, 0.0014500100000000 ] - [ 0.0032834900000000, -0.0032223800000000, 0.0038486900000000 ] - [ 0.0032834900000000, 0.0032223800000000, 0.0038486900000000 ] - [ 0.0003825000000000, 0.0000000000000000, 0.0004261900000000 ] - [ 0.0129517700000000, 0.0000000000000000, -0.0523785800000000 ] - [ 0.0027255800000000, 0.0009933200000000, -0.0012804700000000 ] - [ 0.0027255800000000, -0.0009933200000000, -0.0012804700000000 ] - [ 0.0087238800000000, 0.0000000000000000, 0.0105252900000000 ] - [ -0.0009916400000000, -0.0012000700000000, 0.0005812700000000 ] - [ -0.0009916400000000, 0.0012000700000000, 0.0005812700000000 ] - [ 0.0040997700000000, 0.0078514300000000, 0.0024942500000000 ] - [ 0.0040997700000000, -0.0078514300000000, 0.0024942500000000 ] - [ 0.0019607800000000, 0.0000000000000000, -0.0011963600000000 ] - [ -0.0000948600000000, 0.0010565400000000, 0.0009782000000000 ] - [ -0.0000948600000000, -0.0010565400000000, 0.0009782000000000 ] - [ 0.0003782000000000, 0.0000000000000000, 0.0000928200000000 ] - [ -0.0003792100000000, 0.0000000000000000, 0.0008833100000000 ] - [ -0.0004564400000000, -0.0000448500000000, 0.0007013500000000 ] - [ -0.0004564400000000, 0.0000448500000000, 0.0007013500000000 ] - [ 0.0000592900000000, 0.0002860300000000, 0.0012840100000000 ] - [ 0.0000592900000000, -0.0002860300000000, 0.0012840100000000 ] - [ 0.0002434200000000, 0.0000000000000000, -0.0001669200000000 ] - [ -0.0015135500000000, -0.0027200600000000, 0.0000710900000000 ] - [ -0.0015135500000000, 0.0027200600000000, 0.0000710900000000 ] - [ -0.0002619800000000, 0.0000000000000000, 0.0001921500000000 ] - [ 0.0015963700000000, -0.0001467600000000, 0.0005790600000000 ] - [ 0.0015963700000000, 0.0001467600000000, 0.0005790600000000 ] - [ 0.0011183000000000, 0.0000000000000000, 0.0004070000000000 ] - [ 0.0003786500000000, 0.0000000000000000, -0.0017835900000000 ] - [ -0.0026298000000000, 0.0036913100000000, -0.0024954800000000 ] - [ -0.0026298000000000, -0.0036913100000000, -0.0024954800000000 ] - [ 0.0016060300000000, 0.0000000000000000, -0.0019226100000000 ] - [ 0.0016814800000000, -0.0007404800000000, -0.0026432300000000 ] - [ 0.0016814800000000, 0.0007404800000000, -0.0026432300000000 ] - [ 0.0003649500000000, 0.0003358900000000, 0.0008879100000000 ] - [ 0.0003649500000000, -0.0003358900000000, 0.0008879100000000 ] - [ -0.0003441800000000, 0.0000000000000000, 0.0006032900000000 ] - [ 0.0005680500000000, 0.0000000000000000, 0.0004162500000000 ] - [ 0.0005413200000000, -0.0000575500000000, 0.0003007300000000 ] - [ 0.0005413200000000, 0.0000575500000000, 0.0003007300000000 ] - [ -0.0001018400000000, 0.0003525200000000, -0.0024762400000000 ] - [ -0.0001018400000000, -0.0003525200000000, -0.0024762400000000 ] - [ -0.0003398800000000, 0.0000000000000000, -0.0013268100000000 ] - [ -0.0017125800000000, 0.0000000000000000, -0.0006180600000000 ] - [ -0.0025514700000000, -0.0005055400000000, -0.0011332900000000 ] - [ -0.0025514700000000, 0.0005055400000000, -0.0011332900000000 ] - [ 0.0011886400000000, 0.0001332300000000, 0.0009230900000000 ] - [ 0.0011886400000000, -0.0001332300000000, 0.0009230900000000 ] - [ 0.0008372500000000, 0.0000000000000000, 0.0007121800000000 ]- atom: 94 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0004649800000000, 0.0000738100000000, 0.0006227000000000 ] - [ -0.0004649800000000, -0.0000738100000000, 0.0006227000000000 ] - [ -0.0003652700000000, 0.0000000000000000, 0.0004213300000000 ] - [ -0.0004700700000000, 0.0000000000000000, 0.0010374500000000 ] - [ -0.0003599300000000, 0.0002131600000000, 0.0007760400000000 ] - [ -0.0003599300000000, -0.0002131600000000, 0.0007760400000000 ] - [ -0.0005453900000000, -0.0000388700000000, 0.0003778200000000 ] - [ -0.0005453900000000, 0.0000388700000000, 0.0003778200000000 ] - [ -0.0000299200000000, 0.0000000000000000, -0.0000380100000000 ] - [ -0.0002296200000000, 0.0000000000000000, -0.0006331200000000 ] - [ -0.0003237600000000, -0.0000188300000000, -0.0002885100000000 ] - [ -0.0003237600000000, 0.0000188300000000, -0.0002885100000000 ] - [ 0.0014241500000000, -0.0008319900000000, 0.0032542200000000 ] - [ 0.0014241500000000, 0.0008319900000000, 0.0032542200000000 ] - [ 0.0002687000000000, 0.0000000000000000, 0.0014443500000000 ] - [ -0.0025439200000000, 0.0012724000000000, -0.0031669900000000 ] - [ -0.0025439200000000, -0.0012724000000000, -0.0031669900000000 ] - [ -0.0007406300000000, 0.0000000000000000, -0.0014518000000000 ] - [ 0.0074444400000000, 0.0000000000000000, -0.0031689300000000 ] - [ 0.0007879800000000, 0.0020535800000000, -0.0009832400000000 ] - [ 0.0007879800000000, -0.0020535800000000, -0.0009832400000000 ] - [ 0.0074037300000000, 0.0000000000000000, -0.0083841200000000 ] - [ 0.0003820100000000, -0.0041012900000000, -0.0035394800000000 ] - [ 0.0003820100000000, 0.0041012900000000, -0.0035394800000000 ] - [ -0.0003084800000000, 0.0000000000000000, 0.0047044100000000 ] - [ 0.0004306300000000, -0.0010111400000000, 0.0017584800000000 ] - [ 0.0004306300000000, 0.0010111400000000, 0.0017584800000000 ] - [ 0.0037941100000000, -0.0024008600000000, -0.0161293200000000 ] - [ 0.0037941100000000, 0.0024008600000000, -0.0161293200000000 ] - [ 0.0007467500000000, 0.0000000000000000, -0.0015271500000000 ] - [ 0.0027872800000000, 0.0030929800000000, 0.0020964800000000 ] - [ 0.0027872800000000, -0.0030929800000000, 0.0020964800000000 ] - [ 0.0004751100000000, 0.0000000000000000, 0.0001467100000000 ] - [ 0.0006659300000000, 0.0000277700000000, 0.0014338500000000 ] - [ 0.0006659300000000, -0.0000277700000000, 0.0014338500000000 ] - [ 0.0003867400000000, 0.0000000000000000, 0.0007264500000000 ] - [ -0.0008747900000000, 0.0000000000000000, 0.0005940400000000 ] - [ -0.0006794500000000, -0.0007412700000000, 0.0001880800000000 ] - [ -0.0006794500000000, 0.0007412700000000, 0.0001880800000000 ] - [ 0.0009153800000000, 0.0000000000000000, 0.0008724100000000 ] - [ 0.0004552700000000, 0.0003516900000000, 0.0005748900000000 ] - [ 0.0004552700000000, -0.0003516900000000, 0.0005748900000000 ] - [ 0.0003688600000000, 0.0000000000000000, 0.0018116100000000 ] - [ 0.0003766400000000, -0.0000297600000000, 0.0013415700000000 ] - [ 0.0003766400000000, 0.0000297600000000, 0.0013415700000000 ] - [ -0.0030636400000000, -0.0011234300000000, 0.0045565900000000 ] - [ -0.0030636400000000, 0.0011234300000000, 0.0045565900000000 ] - [ -0.0009784800000000, 0.0000000000000000, 0.0005300700000000 ] - [ 0.0009413600000000, 0.0000000000000000, 0.0018735800000000 ] - [ 0.0005143700000000, -0.0000094700000000, 0.0014385400000000 ] - [ 0.0005143700000000, 0.0000094700000000, 0.0014385400000000 ] - [ -0.0006706700000000, -0.0008848400000000, 0.0034162200000000 ] - [ -0.0006706700000000, 0.0008848400000000, 0.0034162200000000 ] - [ -0.0003089800000000, 0.0000000000000000, -0.0000234800000000 ] - [ 0.0000593700000000, 0.0000000000000000, -0.0034543500000000 ] - [ -0.0005149100000000, -0.0007624900000000, -0.0048645400000000 ] - [ -0.0005149100000000, 0.0007624900000000, -0.0048645400000000 ] - [ 0.0026378900000000, 0.0007227700000000, -0.0009300700000000 ] - [ 0.0026378900000000, -0.0007227700000000, -0.0009300700000000 ] - [ 0.0008862800000000, 0.0000000000000000, -0.0003206600000000 ] - [ -0.0009525300000000, 0.0000000000000000, -0.0023346500000000 ] - [ -0.0009381000000000, -0.0003570900000000, -0.0019926300000000 ] - [ -0.0009381000000000, 0.0003570900000000, -0.0019926300000000 ] - [ 0.0036192100000000, 0.0003739800000000, -0.0007277100000000 ] - [ 0.0036192100000000, -0.0003739800000000, -0.0007277100000000 ] - [ 0.0016811800000000, 0.0000000000000000, 0.0000716100000000 ] - [ 0.0003253400000000, 0.0000000000000000, -0.0008948500000000 ] - [ 0.0002913400000000, 0.0001622100000000, -0.0004816600000000 ] - [ 0.0002913400000000, -0.0001622100000000, -0.0004816600000000 ] - [ -0.0032693000000000, 0.0037538600000000, 0.0006589100000000 ] - [ -0.0032693000000000, -0.0037538600000000, 0.0006589100000000 ] - [ -0.0011566200000000, 0.0000000000000000, 0.0004696400000000 ] - [ 0.0034391400000000, 0.0000000000000000, 0.0048333100000000 ] - [ 0.0005905000000000, 0.0003888200000000, 0.0018318200000000 ] - [ 0.0005905000000000, -0.0003888200000000, 0.0018318200000000 ] - [ 0.0049797400000000, -0.0083863900000000, -0.0023771400000000 ] - [ 0.0049797400000000, 0.0083863900000000, -0.0023771400000000 ] - [ 0.0002059700000000, 0.0000000000000000, 0.0003544100000000 ] - [ -0.0006899000000000, -0.0001974000000000, -0.0031663200000000 ] - [ -0.0006899000000000, 0.0001974000000000, -0.0031663200000000 ] - [ -0.0003580700000000, 0.0000000000000000, -0.0016435300000000 ] - [ -0.0009117900000000, 0.0000000000000000, -0.0032004600000000 ] - [ -0.0013994200000000, -0.0007766500000000, 0.0001802600000000 ] - [ -0.0013994200000000, 0.0007766500000000, 0.0001802600000000 ] - [ -0.0002782300000000, 0.0000000000000000, -0.0028204300000000 ] - [ 0.0000059000000000, 0.0000133500000000, -0.0018017700000000 ] - [ 0.0000059000000000, -0.0000133500000000, -0.0018017700000000 ] - [ -0.0005304900000000, 0.0000000000000000, -0.0009180000000000 ] - [ -0.0003763600000000, -0.0001476900000000, -0.0004604500000000 ] - [ -0.0003763600000000, 0.0001476900000000, -0.0004604500000000 ] - [ -0.0021948000000000, 0.0031730100000000, -0.0035546900000000 ] - [ -0.0021948000000000, -0.0031730100000000, -0.0035546900000000 ] - [ 0.0006786900000000, 0.0000000000000000, -0.0001624000000000 ] - [ -0.0131067600000000, 0.0000000000000000, 0.0545597900000000 ] - [ -0.0020929200000000, -0.0010081000000000, 0.0020623500000000 ] - [ -0.0020929200000000, 0.0010081000000000, 0.0020623500000000 ] - [ -0.0097384300000000, 0.0000000000000000, -0.0106194600000000 ] - [ 0.0000898300000000, 0.0012093800000000, -0.0005616100000000 ] - [ 0.0000898300000000, -0.0012093800000000, -0.0005616100000000 ] - [ -0.0032237900000000, -0.0079534400000000, -0.0025807300000000 ] - [ -0.0032237900000000, 0.0079534400000000, -0.0025807300000000 ] - [ -0.0010706900000000, 0.0000000000000000, 0.0011888200000000 ] - [ -0.0005917100000000, -0.0010661500000000, -0.0017506300000000 ] - [ -0.0005917100000000, 0.0010661500000000, -0.0017506300000000 ] - [ -0.0010686900000000, 0.0000000000000000, -0.0008569400000000 ] - [ -0.0006868400000000, 0.0000000000000000, -0.0011567400000000 ] - [ -0.0006093300000000, 0.0000451300000000, -0.0009740300000000 ] - [ -0.0006093300000000, -0.0000451300000000, -0.0009740300000000 ] - [ 0.0005368700000000, -0.0002798200000000, -0.0022773700000000 ] - [ 0.0005368700000000, 0.0002798200000000, -0.0022773700000000 ] - [ 0.0003507700000000, 0.0000000000000000, -0.0008351100000000 ] - [ 0.0011345300000000, 0.0026636500000000, 0.0009278600000000 ] - [ 0.0011345300000000, -0.0026636500000000, 0.0009278600000000 ] - [ -0.0000847400000000, 0.0000000000000000, 0.0008064000000000 ] - [ 0.0000352300000000, 0.0001491600000000, -0.0018082000000000 ] - [ 0.0000352300000000, -0.0001491600000000, -0.0018082000000000 ] - [ 0.0005140000000000, 0.0000000000000000, -0.0016330300000000 ] - [ 0.0007513800000000, 0.0000000000000000, 0.0049533800000000 ] - [ 0.0037819900000000, -0.0037565100000000, 0.0056956700000000 ] - [ 0.0037819900000000, 0.0037565100000000, 0.0056956700000000 ] - [ -0.0005555300000000, 0.0000000000000000, 0.0007603700000000 ] - [ -0.0006353200000000, 0.0007502900000000, 0.0014890100000000 ] - [ -0.0006353200000000, -0.0007502900000000, 0.0014890100000000 ] - [ -0.0008023200000000, -0.0003384800000000, -0.0008706000000000 ] - [ -0.0008023200000000, 0.0003384800000000, -0.0008706000000000 ] - [ -0.0000877000000000, 0.0000000000000000, -0.0005832800000000 ] - [ -0.0000787000000000, 0.0000000000000000, -0.0007982000000000 ] - [ -0.0000524500000000, 0.0000583100000000, -0.0006814300000000 ] - [ -0.0000524500000000, -0.0000583100000000, -0.0006814300000000 ] - [ -0.0000887700000000, -0.0003562200000000, 0.0014982100000000 ] - [ -0.0000887700000000, 0.0003562200000000, 0.0014982100000000 ] - [ 0.0001490300000000, 0.0000000000000000, 0.0003377400000000 ] - [ -0.0007908800000000, 0.0000000000000000, 0.0006707200000000 ] - [ 0.0000520000000000, 0.0005137900000000, 0.0011878100000000 ] - [ 0.0000520000000000, -0.0005137900000000, 0.0011878100000000 ] - [ 0.0003100700000000, -0.0001335400000000, 0.0004274500000000 ] - [ 0.0003100700000000, 0.0001335400000000, 0.0004274500000000 ] - [ 0.0006660300000000, 0.0000000000000000, 0.0006386500000000 ]- atom: 97 displacement: [ 0.0099992147790704, 0.0000000000000000, 0.0001253148116573 ] forces: - [ -0.0012197700000000, 0.0001626600000000, 0.0001606000000000 ] - [ -0.0012197700000000, -0.0001626600000000, 0.0001606000000000 ] - [ -0.0002346400000000, 0.0000000000000000, -0.0000619300000000 ] - [ -0.0012792400000000, 0.0000000000000000, 0.0008594100000000 ] - [ -0.0001281200000000, -0.0002349200000000, 0.0001584900000000 ] - [ -0.0001281200000000, 0.0002349200000000, 0.0001584900000000 ] - [ 0.0001346300000000, 0.0003387700000000, -0.0000497000000000 ] - [ 0.0001346300000000, -0.0003387700000000, -0.0000497000000000 ] - [ 0.0000803400000000, 0.0000000000000000, -0.0001786100000000 ] - [ -0.0001244900000000, 0.0000000000000000, 0.0001863300000000 ] - [ 0.0000531300000000, -0.0001814400000000, 0.0002126700000000 ] - [ 0.0000531300000000, 0.0001814400000000, 0.0002126700000000 ] - [ -0.0002619600000000, 0.0005691200000000, -0.0000332400000000 ] - [ -0.0002619600000000, -0.0005691200000000, -0.0000332400000000 ] - [ 0.0001036900000000, 0.0000000000000000, 0.0001547600000000 ] - [ -0.0029659100000000, 0.0023620800000000, -0.0002735200000000 ] - [ -0.0029659100000000, -0.0023620800000000, -0.0002735200000000 ] - [ -0.0005110200000000, 0.0000000000000000, 0.0008646700000000 ] - [ -0.0011568300000000, 0.0000000000000000, -0.0011675900000000 ] - [ 0.0002263400000000, -0.0005968100000000, 0.0012600800000000 ] - [ 0.0002263400000000, 0.0005968100000000, 0.0012600800000000 ] - [ 0.0144680700000000, 0.0000000000000000, -0.0015477300000000 ] - [ 0.0027258200000000, -0.0025256000000000, 0.0012058300000000 ] - [ 0.0027258200000000, 0.0025256000000000, 0.0012058300000000 ] - [ 0.0142911400000000, 0.0000000000000000, 0.0013239400000000 ] - [ 0.0024084200000000, -0.0023694600000000, -0.0018113700000000 ] - [ 0.0024084200000000, 0.0023694600000000, -0.0018113700000000 ] - [ 0.0013059300000000, 0.0030905200000000, 0.0020346500000000 ] - [ 0.0013059300000000, -0.0030905200000000, 0.0020346500000000 ] - [ 0.0000453500000000, 0.0000000000000000, 0.0011358500000000 ] - [ 0.0239774300000000, 0.0133998600000000, 0.0029512500000000 ] - [ 0.0239774300000000, -0.0133998600000000, 0.0029512500000000 ] - [ 0.0008047900000000, 0.0000000000000000, -0.0007324400000000 ] - [ 0.0009253700000000, 0.0005101600000000, -0.0032105200000000 ] - [ 0.0009253700000000, -0.0005101600000000, -0.0032105200000000 ] - [ 0.0000129700000000, 0.0000000000000000, -0.0022319800000000 ] - [ -0.0051763600000000, 0.0000000000000000, -0.0003376600000000 ] - [ -0.0039667000000000, 0.0003111400000000, -0.0012737200000000 ] - [ -0.0039667000000000, -0.0003111400000000, -0.0012737200000000 ] - [ 0.0012601900000000, 0.0000000000000000, -0.0005956000000000 ] - [ -0.0000842800000000, -0.0004896800000000, -0.0007349200000000 ] - [ -0.0000842800000000, 0.0004896800000000, -0.0007349200000000 ] - [ -0.0004155900000000, 0.0000000000000000, -0.0011051800000000 ] - [ -0.0001380400000000, 0.0000794000000000, -0.0009454300000000 ] - [ -0.0001380400000000, -0.0000794000000000, -0.0009454300000000 ] - [ -0.0052971100000000, 0.0010248900000000, 0.0003789300000000 ] - [ -0.0052971100000000, -0.0010248900000000, 0.0003789300000000 ] - [ -0.0005671700000000, 0.0000000000000000, 0.0004130800000000 ] - [ 0.0074865300000000, 0.0000000000000000, 0.0024370000000000 ] - [ 0.0002490100000000, -0.0001648800000000, 0.0000088800000000 ] - [ 0.0002490100000000, 0.0001648800000000, 0.0000088800000000 ] - [ -0.0000336700000000, 0.0000815700000000, -0.0003152500000000 ] - [ -0.0000336700000000, -0.0000815700000000, -0.0003152500000000 ] - [ 0.0002164500000000, 0.0000000000000000, -0.0001640700000000 ] - [ -0.0012268100000000, 0.0000000000000000, 0.0055482100000000 ] - [ -0.0019463900000000, -0.0014147800000000, 0.0056122100000000 ] - [ -0.0019463900000000, 0.0014147800000000, 0.0056122100000000 ] - [ -0.0000484000000000, -0.0000283400000000, 0.0001125000000000 ] - [ -0.0000484000000000, 0.0000283400000000, 0.0001125000000000 ] - [ -0.0002567600000000, 0.0000000000000000, 0.0005961300000000 ] - [ -0.0001011500000000, 0.0000000000000000, -0.0001122800000000 ] - [ -0.0005827400000000, 0.0001842300000000, -0.0000663900000000 ] - [ -0.0005827400000000, -0.0001842300000000, -0.0000663900000000 ] - [ 0.0044646900000000, 0.0002597600000000, -0.0004522900000000 ] - [ 0.0044646900000000, -0.0002597600000000, -0.0004522900000000 ] - [ 0.0019329200000000, 0.0000000000000000, -0.0002751800000000 ] - [ 0.0012093600000000, 0.0000000000000000, 0.0017007700000000 ] - [ 0.0005660500000000, 0.0001627100000000, 0.0014536000000000 ] - [ 0.0005660500000000, -0.0001627100000000, 0.0014536000000000 ] - [ -0.0001406300000000, -0.0005293200000000, 0.0002662500000000 ] - [ -0.0001406300000000, 0.0005293200000000, 0.0002662500000000 ] - [ 0.0000449300000000, 0.0000000000000000, 0.0001141500000000 ] - [ 0.0067634900000000, 0.0000000000000000, 0.0010618800000000 ] - [ 0.0000648700000000, 0.0008238200000000, -0.0001612000000000 ] - [ 0.0000648700000000, -0.0008238200000000, -0.0001612000000000 ] - [ 0.0026058600000000, -0.0030003400000000, 0.0027951900000000 ] - [ 0.0026058600000000, 0.0030003400000000, 0.0027951900000000 ] - [ -0.0008207600000000, 0.0000000000000000, 0.0000094700000000 ] - [ 0.0014687600000000, -0.0025521000000000, -0.0030528700000000 ] - [ 0.0014687600000000, 0.0025521000000000, -0.0030528700000000 ] - [ -0.0008642600000000, 0.0000000000000000, -0.0012987700000000 ] - [ -0.0012394000000000, 0.0000000000000000, 0.0013116700000000 ] - [ -0.0007482900000000, 0.0002592100000000, 0.0006083800000000 ] - [ -0.0007482900000000, -0.0002592100000000, 0.0006083800000000 ] - [ -0.0022651600000000, 0.0000000000000000, -0.0123343000000000 ] - [ 0.0001364600000000, 0.0002617200000000, 0.0001588700000000 ] - [ 0.0001364600000000, -0.0002617200000000, 0.0001588700000000 ] - [ -0.0027615000000000, 0.0000000000000000, -0.0019299000000000 ] - [ -0.0003212100000000, 0.0001936800000000, 0.0007826600000000 ] - [ -0.0003212100000000, -0.0001936800000000, 0.0007826600000000 ] - [ 0.0007258800000000, -0.0004282300000000, 0.0002825200000000 ] - [ 0.0007258800000000, 0.0004282300000000, 0.0002825200000000 ] - [ 0.0003176600000000, 0.0000000000000000, 0.0001704800000000 ] - [ -0.0068408000000000, 0.0000000000000000, 0.0082865300000000 ] - [ 0.0003567200000000, 0.0003685000000000, -0.0001609600000000 ] - [ 0.0003567200000000, -0.0003685000000000, -0.0001609600000000 ] - [ -0.0727336600000000, 0.0000000000000000, 0.0046652300000000 ] - [ -0.0082978300000000, -0.0036256200000000, -0.0001917900000000 ] - [ -0.0082978300000000, 0.0036256200000000, -0.0001917900000000 ] - [ -0.0031853200000000, -0.0013437900000000, -0.0035346800000000 ] - [ -0.0031853200000000, 0.0013437900000000, -0.0035346800000000 ] - [ -0.0005546800000000, 0.0000000000000000, -0.0011529700000000 ] - [ -0.0044611700000000, -0.0013372500000000, 0.0024286900000000 ] - [ -0.0044611700000000, 0.0013372500000000, 0.0024286900000000 ] - [ -0.0011333500000000, 0.0000000000000000, 0.0009674500000000 ] - [ -0.0034859900000000, 0.0000000000000000, 0.0006230300000000 ] - [ -0.0007293600000000, 0.0000417100000000, 0.0002645300000000 ] - [ -0.0007293600000000, -0.0000417100000000, 0.0002645300000000 ] - [ 0.0005652900000000, -0.0002496600000000, -0.0006316900000000 ] - [ 0.0005652900000000, 0.0002496600000000, -0.0006316900000000 ] - [ 0.0002389900000000, 0.0000000000000000, -0.0005516300000000 ] - [ -0.0002618400000000, -0.0002899600000000, 0.0002534900000000 ] - [ -0.0002618400000000, 0.0002899600000000, 0.0002534900000000 ] - [ -0.0002627600000000, 0.0000000000000000, 0.0000302000000000 ] - [ 0.0009531100000000, -0.0004423600000000, -0.0000403100000000 ] - [ 0.0009531100000000, 0.0004423600000000, -0.0000403100000000 ] - [ 0.0008246800000000, 0.0000000000000000, -0.0000197600000000 ] - [ -0.0001268800000000, 0.0000000000000000, -0.0004522700000000 ] - [ -0.0003319600000000, 0.0008374600000000, -0.0010722500000000 ] - [ -0.0003319600000000, -0.0008374600000000, -0.0010722500000000 ] - [ 0.0061484100000000, 0.0000000000000000, -0.0045528200000000 ] - [ 0.0068823700000000, -0.0063584600000000, -0.0075264000000000 ] - [ 0.0068823700000000, 0.0063584600000000, -0.0075264000000000 ] - [ 0.0035712700000000, -0.0016031000000000, 0.0026610800000000 ] - [ 0.0035712700000000, 0.0016031000000000, 0.0026610800000000 ] - [ 0.0001325000000000, 0.0000000000000000, 0.0008404500000000 ] - [ 0.0003485800000000, 0.0000000000000000, 0.0003802300000000 ] - [ 0.0001697500000000, 0.0001472800000000, 0.0002084800000000 ] - [ 0.0001697500000000, -0.0001472800000000, 0.0002084800000000 ] - [ 0.0004725300000000, -0.0003531600000000, -0.0002686500000000 ] - [ 0.0004725300000000, 0.0003531600000000, -0.0002686500000000 ] - [ 0.0000467000000000, 0.0000000000000000, -0.0010567800000000 ] - [ 0.0019719900000000, 0.0000000000000000, -0.0019976300000000 ] - [ 0.0017407400000000, 0.0009471100000000, -0.0013764300000000 ] - [ 0.0017407400000000, -0.0009471100000000, -0.0013764300000000 ] - [ 0.0007046000000000, -0.0002309400000000, 0.0007854700000000 ] - [ 0.0007046000000000, 0.0002309400000000, 0.0007854700000000 ] - [ 0.0007808300000000, 0.0000000000000000, 0.0004526500000000 ]- atom: 97 displacement: [ -0.0099992147790704, 0.0000000000000000, -0.0001253148116573 ] forces: - [ 0.0008127200000000, -0.0001654900000000, 0.0000892100000000 ] - [ 0.0008127200000000, 0.0001654900000000, 0.0000892100000000 ] - [ -0.0001730400000000, 0.0000000000000000, 0.0003098200000000 ] - [ 0.0010599800000000, 0.0000000000000000, -0.0003905700000000 ] - [ -0.0000993200000000, 0.0002359900000000, 0.0003056800000000 ] - [ -0.0000993200000000, -0.0002359900000000, 0.0003056800000000 ] - [ 0.0000925500000000, -0.0003409500000000, -0.0004102700000000 ] - [ 0.0000925500000000, 0.0003409500000000, -0.0004102700000000 ] - [ 0.0001479500000000, 0.0000000000000000, -0.0002859000000000 ] - [ 0.0005361500000000, 0.0000000000000000, -0.0004301700000000 ] - [ 0.0003538400000000, 0.0001820400000000, -0.0004592400000000 ] - [ 0.0003538400000000, -0.0001820400000000, -0.0004592400000000 ] - [ 0.0004514400000000, -0.0005729400000000, 0.0009055700000000 ] - [ 0.0004514400000000, 0.0005729400000000, 0.0009055700000000 ] - [ 0.0000855000000000, 0.0000000000000000, 0.0007181500000000 ] - [ 0.0039911500000000, -0.0023857100000000, 0.0000159000000000 ] - [ 0.0039911500000000, 0.0023857100000000, 0.0000159000000000 ] - [ 0.0015278300000000, 0.0000000000000000, -0.0011039600000000 ] - [ 0.0012599500000000, 0.0000000000000000, 0.0030230600000000 ] - [ -0.0001155000000000, 0.0005994900000000, 0.0005815700000000 ] - [ -0.0001155000000000, -0.0005994900000000, 0.0005815700000000 ] - [ -0.0132766600000000, 0.0000000000000000, 0.0009910600000000 ] - [ -0.0016897300000000, 0.0025326800000000, -0.0021040800000000 ] - [ -0.0016897300000000, -0.0025326800000000, -0.0021040800000000 ] - [ -0.0133049600000000, 0.0000000000000000, -0.0014501200000000 ] - [ -0.0013859600000000, 0.0023784000000000, 0.0019416700000000 ] - [ -0.0013859600000000, -0.0023784000000000, 0.0019416700000000 ] - [ -0.0023278100000000, -0.0030920900000000, -0.0021347400000000 ] - [ -0.0023278100000000, 0.0030920900000000, -0.0021347400000000 ] - [ -0.0010602000000000, 0.0000000000000000, -0.0012493800000000 ] - [ -0.0255486800000000, -0.0142076100000000, -0.0020965000000000 ] - [ -0.0255486800000000, 0.0142076100000000, -0.0020965000000000 ] - [ -0.0018137600000000, 0.0000000000000000, 0.0016023300000000 ] - [ -0.0010398500000000, -0.0005134900000000, 0.0013635700000000 ] - [ -0.0010398500000000, 0.0005134900000000, 0.0013635700000000 ] - [ -0.0001206900000000, 0.0000000000000000, 0.0003949100000000 ] - [ 0.0041618800000000, 0.0000000000000000, 0.0005991600000000 ] - [ 0.0029480100000000, -0.0003031000000000, 0.0015148900000000 ] - [ 0.0029480100000000, 0.0003031000000000, 0.0015148900000000 ] - [ -0.0014582200000000, 0.0000000000000000, -0.0002785500000000 ] - [ -0.0001048400000000, 0.0004929600000000, -0.0001377100000000 ] - [ -0.0001048400000000, -0.0004929600000000, -0.0001377100000000 ] - [ 0.0002846100000000, 0.0000000000000000, 0.0008155200000000 ] - [ 0.0000099900000000, -0.0000795300000000, 0.0006564700000000 ] - [ 0.0000099900000000, 0.0000795300000000, 0.0006564700000000 ] - [ 0.0042899200000000, -0.0010077900000000, 0.0001572300000000 ] - [ 0.0042899200000000, 0.0010077900000000, 0.0001572300000000 ] - [ -0.0004222200000000, 0.0000000000000000, 0.0001156700000000 ] - [ -0.0073011100000000, 0.0000000000000000, -0.0018360900000000 ] - [ -0.0000177800000000, 0.0001658100000000, 0.0005955500000000 ] - [ -0.0000177800000000, -0.0001658100000000, 0.0005955500000000 ] - [ -0.0001925000000000, -0.0000809800000000, -0.0002891400000000 ] - [ -0.0001925000000000, 0.0000809800000000, -0.0002891400000000 ] - [ -0.0004449100000000, 0.0000000000000000, -0.0004384300000000 ] - [ 0.0022070000000000, 0.0000000000000000, -0.0061170400000000 ] - [ 0.0029305800000000, 0.0014132600000000, -0.0061433900000000 ] - [ 0.0029305800000000, -0.0014132600000000, -0.0061433900000000 ] - [ 0.0001769200000000, 0.0000278900000000, 0.0001781900000000 ] - [ 0.0001769200000000, -0.0000278900000000, 0.0001781900000000 ] - [ 0.0003844000000000, 0.0000000000000000, -0.0003064700000000 ] - [ -0.0014030500000000, 0.0000000000000000, -0.0012440000000000 ] - [ -0.0009190600000000, -0.0001849500000000, -0.0012911300000000 ] - [ -0.0009190600000000, 0.0001849500000000, -0.0012911300000000 ] - [ -0.0019235300000000, -0.0002552300000000, 0.0004147500000000 ] - [ -0.0019235300000000, 0.0002552300000000, 0.0004147500000000 ] - [ 0.0005997700000000, 0.0000000000000000, 0.0002379600000000 ] - [ -0.0010123000000000, 0.0000000000000000, -0.0007205300000000 ] - [ -0.0003640100000000, -0.0001632500000000, -0.0004670400000000 ] - [ -0.0003640100000000, 0.0001632500000000, -0.0004670400000000 ] - [ -0.0003507700000000, 0.0005323900000000, 0.0001117300000000 ] - [ -0.0003507700000000, -0.0005323900000000, 0.0001117300000000 ] - [ -0.0005370500000000, 0.0000000000000000, 0.0002655200000000 ] - [ -0.0064018200000000, 0.0000000000000000, -0.0011094000000000 ] - [ 0.0003713900000000, -0.0008243000000000, 0.0001442300000000 ] - [ 0.0003713900000000, 0.0008243000000000, 0.0001442300000000 ] - [ -0.0036308100000000, 0.0029590000000000, -0.0015727500000000 ] - [ -0.0036308100000000, -0.0029590000000000, -0.0015727500000000 ] - [ -0.0002343600000000, 0.0000000000000000, 0.0011825400000000 ] - [ -0.0025546700000000, 0.0025329300000000, -0.0001045900000000 ] - [ -0.0025546700000000, -0.0025329300000000, -0.0001045900000000 ] - [ -0.0002328800000000, 0.0000000000000000, -0.0018175800000000 ] - [ -0.0003922400000000, 0.0000000000000000, -0.0000925300000000 ] - [ -0.0008848500000000, -0.0002607600000000, 0.0006134100000000 ] - [ -0.0008848500000000, 0.0002607600000000, 0.0006134100000000 ] - [ 0.0026680100000000, 0.0000000000000000, 0.0113535600000000 ] - [ 0.0002034700000000, -0.0002634700000000, -0.0011740500000000 ] - [ 0.0002034700000000, 0.0002634700000000, -0.0011740500000000 ] - [ 0.0021817300000000, 0.0000000000000000, 0.0029399600000000 ] - [ -0.0002748100000000, -0.0001938700000000, 0.0002096800000000 ] - [ -0.0002748100000000, 0.0001938700000000, 0.0002096800000000 ] - [ 0.0003385700000000, 0.0004302400000000, -0.0000130600000000 ] - [ 0.0003385700000000, -0.0004302400000000, -0.0000130600000000 ] - [ 0.0007467000000000, 0.0000000000000000, 0.0000984200000000 ] - [ 0.0075285200000000, 0.0000000000000000, -0.0074999200000000 ] - [ 0.0003239700000000, -0.0003713100000000, 0.0009288700000000 ] - [ 0.0003239700000000, 0.0003713100000000, 0.0009288700000000 ] - [ 0.0726861700000000, 0.0000000000000000, -0.0048769500000000 ] - [ 0.0074501600000000, 0.0036726300000000, 0.0002138600000000 ] - [ 0.0074501600000000, -0.0036726300000000, 0.0002138600000000 ] - [ 0.0041046000000000, 0.0013679200000000, 0.0034929100000000 ] - [ 0.0041046000000000, -0.0013679200000000, 0.0034929100000000 ] - [ 0.0014571100000000, 0.0000000000000000, 0.0011382600000000 ] - [ 0.0037951900000000, 0.0013528800000000, -0.0031713300000000 ] - [ 0.0037951900000000, -0.0013528800000000, -0.0031713300000000 ] - [ 0.0004462500000000, 0.0000000000000000, -0.0017379600000000 ] - [ 0.0024362200000000, 0.0000000000000000, -0.0008951900000000 ] - [ -0.0003364300000000, -0.0000440600000000, -0.0005332900000000 ] - [ -0.0003364300000000, 0.0000440600000000, -0.0005332900000000 ] - [ 0.0000287100000000, 0.0002516400000000, -0.0003614200000000 ] - [ 0.0000287100000000, -0.0002516400000000, -0.0003614200000000 ] - [ 0.0003570600000000, 0.0000000000000000, -0.0004449100000000 ] - [ -0.0000807400000000, 0.0002909700000000, 0.0007555600000000 ] - [ -0.0000807400000000, -0.0002909700000000, 0.0007555600000000 ] - [ -0.0000807000000000, 0.0000000000000000, 0.0009811900000000 ] - [ 0.0006808500000000, 0.0004460400000000, -0.0011808600000000 ] - [ 0.0006808500000000, -0.0004460400000000, -0.0011808600000000 ] - [ 0.0008089500000000, 0.0000000000000000, -0.0012042800000000 ] - [ 0.0012320400000000, 0.0000000000000000, 0.0035786200000000 ] - [ 0.0014334100000000, -0.0008384800000000, 0.0041893900000000 ] - [ 0.0014334100000000, 0.0008384800000000, 0.0041893900000000 ] - [ -0.0052419200000000, 0.0000000000000000, 0.0034548700000000 ] - [ -0.0058494900000000, 0.0063684400000000, 0.0063508100000000 ] - [ -0.0058494900000000, -0.0063684400000000, 0.0063508100000000 ] - [ -0.0039768100000000, 0.0016024000000000, -0.0026245300000000 ] - [ -0.0039768100000000, -0.0016024000000000, -0.0026245300000000 ] - [ -0.0005701600000000, 0.0000000000000000, -0.0008222900000000 ] - [ 0.0001456100000000, 0.0000000000000000, -0.0007575700000000 ] - [ 0.0003237600000000, -0.0001511800000000, -0.0005884500000000 ] - [ 0.0003237600000000, 0.0001511800000000, -0.0005884500000000 ] - [ -0.0006732800000000, 0.0003559500000000, -0.0007160500000000 ] - [ -0.0006732800000000, -0.0003559500000000, -0.0007160500000000 ] - [ -0.0002457900000000, 0.0000000000000000, 0.0000698900000000 ] - [ -0.0045281800000000, 0.0000000000000000, 0.0020492400000000 ] - [ -0.0042752200000000, -0.0009493800000000, 0.0014149700000000 ] - [ -0.0042752200000000, 0.0009493800000000, 0.0014149700000000 ] - [ 0.0007977700000000, 0.0002322600000000, 0.0005711000000000 ] - [ 0.0007977700000000, -0.0002322600000000, 0.0005711000000000 ] - [ 0.0007217000000000, 0.0000000000000000, 0.0009038200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002576600000000, 0.0003124400000000, -0.0001135900000000 ] - [ -0.0001421000000000, 0.0003151400000000, 0.0003584500000000 ] - [ -0.0002039300000000, -0.0005275800000000, 0.0001203300000000 ] - [ -0.0001059900000000, 0.0002331900000000, 0.0002330100000000 ] - [ -0.0002118800000000, -0.0000992800000000, 0.0003563900000000 ] - [ -0.0000138200000000, -0.0001013900000000, 0.0001105600000000 ] - [ -0.0000139100000000, 0.0001042500000000, -0.0001642300000000 ] - [ 0.0002395600000000, 0.0001082700000000, -0.0003033200000000 ] - [ 0.0001135200000000, -0.0002140800000000, -0.0002355400000000 ] - [ 0.0002071700000000, 0.0003443100000000, -0.0001193400000000 ] - [ 0.0003785000000000, -0.0001807000000000, -0.0004161300000000 ] - [ 0.0000317800000000, -0.0001818000000000, 0.0001738200000000 ] - [ 0.0001814400000000, 0.0003874800000000, 0.0003078300000000 ] - [ 0.0000110100000000, 0.0003932700000000, 0.0005697600000000 ] - [ 0.0000950000000000, -0.0007927000000000, 0.0004381900000000 ] - [ 0.0005637500000000, 0.0012122200000000, 0.0010767000000000 ] - [ 0.0004730900000000, 0.0012373200000000, -0.0013266700000000 ] - [ 0.0005134700000000, -0.0023266200000000, -0.0001213800000000 ] - [ 0.0000582700000000, 0.0004859500000000, 0.0009316200000000 ] - [ -0.0002797900000000, -0.0002293700000000, 0.0004268100000000 ] - [ 0.0003903100000000, -0.0002342000000000, 0.0014170100000000 ] - [ 0.0004876000000000, 0.0116699200000000, -0.0004501900000000 ] - [ -0.0015147600000000, -0.0037939400000000, -0.0026766400000000 ] - [ 0.0025365500000000, -0.0038021900000000, 0.0017851000000000 ] - [ 0.0004586200000000, 0.0112688000000000, 0.0000536800000000 ] - [ -0.0011355800000000, -0.0041667700000000, 0.0020670700000000 ] - [ 0.0021462400000000, -0.0041770200000000, -0.0019433000000000 ] - [ -0.0007589300000000, 0.0013908400000000, 0.0035290700000000 ] - [ -0.0002707700000000, 0.0014125900000000, -0.0036553600000000 ] - [ -0.0005102000000000, -0.0028387700000000, -0.0000580800000000 ] - [ 0.0079392600000000, 0.0193512700000000, 0.0036300200000000 ] - [ -0.0100312200000000, 0.0206182300000000, -0.0027548700000000 ] - [ -0.0005192600000000, -0.0103874800000000, 0.0004396700000000 ] - [ -0.0013600100000000, 0.0009241400000000, -0.0049451700000000 ] - [ 0.0012390800000000, 0.0009319000000000, 0.0031205700000000 ] - [ -0.0000571000000000, -0.0015622000000000, -0.0009166300000000 ] - [ -0.0004998800000000, 0.0077993400000000, 0.0001147700000000 ] - [ 0.0027425100000000, -0.0037242600000000, 0.0015480000000000 ] - [ -0.0037368500000000, -0.0037167300000000, -0.0013080400000000 ] - [ -0.0001032600000000, 0.0009205200000000, -0.0004357600000000 ] - [ 0.0001582300000000, -0.0004829200000000, -0.0001041200000000 ] - [ -0.0003483300000000, -0.0004872800000000, -0.0007650200000000 ] - [ -0.0000603700000000, -0.0000648500000000, -0.0001409600000000 ] - [ -0.0000578200000000, 0.0000127500000000, 0.0007377700000000 ] - [ -0.0000674400000000, 0.0000134600000000, -0.0010210000000000 ] - [ 0.0016385300000000, -0.0007391000000000, 0.0000577600000000 ] - [ -0.0026029300000000, -0.0007347900000000, 0.0004742100000000 ] - [ -0.0004884400000000, 0.0005620000000000, 0.0002654000000000 ] - [ 0.0000691600000000, 0.0003786200000000, 0.0002888500000000 ] - [ 0.0004537300000000, -0.0000492900000000, 0.0008445200000000 ] - [ -0.0002286200000000, -0.0000511200000000, -0.0002408300000000 ] - [ 0.0007331500000000, 0.0000501300000000, -0.0000675600000000 ] - [ -0.0009642200000000, 0.0000503200000000, -0.0005360200000000 ] - [ -0.0001156000000000, -0.0000600000000000, -0.0003006700000000 ] - [ 0.0004956300000000, -0.0007794200000000, -0.0002723300000000 ] - [ 0.0034378300000000, 0.0022616700000000, -0.0065942500000000 ] - [ -0.0024425600000000, 0.0022539000000000, 0.0060424900000000 ] - [ -0.0002378500000000, -0.0000272100000000, 0.0005997700000000 ] - [ 0.0003670200000000, -0.0000274300000000, -0.0003080700000000 ] - [ 0.0000649200000000, 0.0000508600000000, 0.0001449500000000 ] - [ -0.0007549000000000, -0.0000810100000000, -0.0006815500000000 ] - [ -0.0008310000000000, 0.0000524400000000, -0.0013185300000000 ] - [ -0.0006712700000000, 0.0000542300000000, -0.0000448100000000 ] - [ 0.0001773500000000, -0.0008149700000000, -0.0000969400000000 ] - [ 0.0023403900000000, -0.0008164800000000, 0.0000622100000000 ] - [ 0.0012605900000000, 0.0012749400000000, -0.0000180300000000 ] - [ 0.0000948100000000, -0.0011622300000000, 0.0004905500000000 ] - [ -0.0002064500000000, 0.0005247100000000, -0.0005170600000000 ] - [ 0.0004030300000000, 0.0005233100000000, 0.0014993200000000 ] - [ -0.0000129400000000, -0.0001706700000000, 0.0001191800000000 ] - [ -0.0004802500000000, -0.0001753900000000, 0.0002599400000000 ] - [ -0.0002470800000000, 0.0003412500000000, 0.0001903000000000 ] - [ 0.0001804300000000, -0.0007276300000000, -0.0000189000000000 ] - [ 0.0008358000000000, 0.0005901300000000, 0.0002669800000000 ] - [ -0.0004013000000000, 0.0005946700000000, -0.0002851900000000 ] - [ -0.0026091800000000, 0.0005978400000000, -0.0020092300000000 ] - [ 0.0015685300000000, 0.0005973400000000, 0.0032147100000000 ] - [ -0.0005301700000000, 0.0013458200000000, 0.0005961900000000 ] - [ -0.0018287900000000, -0.0000433900000000, 0.0007281100000000 ] - [ 0.0007399400000000, -0.0000526500000000, -0.0038649000000000 ] - [ -0.0005507500000000, 0.0016873500000000, -0.0015584800000000 ] - [ -0.0008139000000000, -0.0004455900000000, 0.0006080300000000 ] - [ -0.0009751800000000, 0.0002366000000000, 0.0008053200000000 ] - [ -0.0006579200000000, 0.0002389300000000, 0.0004156700000000 ] - [ 0.0001944300000000, 0.0006495100000000, -0.0004339300000000 ] - [ 0.0000687200000000, 0.0001656300000000, -0.0014147600000000 ] - [ 0.0002731700000000, 0.0001690000000000, 0.0004003500000000 ] - [ -0.0002819700000000, -0.0001660600000000, 0.0005148300000000 ] - [ -0.0004508400000000, 0.0000279300000000, 0.0001070400000000 ] - [ -0.0001426500000000, 0.0000290900000000, 0.0008888500000000 ] - [ 0.0001598000000000, -0.0001269200000000, 0.0002014000000000 ] - [ 0.0009063500000000, -0.0001304400000000, 0.0000667600000000 ] - [ 0.0005341100000000, 0.0002755400000000, 0.0001343000000000 ] - [ 0.0003712100000000, -0.0008258000000000, 0.0003531900000000 ] - [ 0.0000609700000000, 0.0012096700000000, 0.0015553600000000 ] - [ 0.0006236900000000, 0.0012113800000000, -0.0007872600000000 ] - [ 0.0007883500000000, -0.0825402800000000, -0.0000369800000000 ] - [ 0.0031850500000000, 0.0052222800000000, 0.0002422400000000 ] - [ -0.0041074300000000, 0.0052191300000000, -0.0002151300000000 ] - [ -0.0007977700000000, 0.0023070200000000, -0.0094734600000000 ] - [ 0.0016752700000000, 0.0023204000000000, 0.0095475800000000 ] - [ 0.0004554700000000, 0.0022297100000000, -0.0000054500000000 ] - [ -0.0008970600000000, 0.0024841800000000, 0.0075735000000000 ] - [ 0.0001886500000000, 0.0024953800000000, -0.0084249500000000 ] - [ -0.0003393600000000, 0.0020241500000000, -0.0003875900000000 ] - [ -0.0005155400000000, -0.0011363500000000, -0.0001384400000000 ] - [ -0.0009065400000000, 0.0006642300000000, -0.0005959400000000 ] - [ -0.0001583200000000, 0.0006632000000000, 0.0003225600000000 ] - [ 0.0000128300000000, -0.0000835000000000, -0.0007512700000000 ] - [ 0.0005793200000000, -0.0000877600000000, -0.0002427100000000 ] - [ 0.0002975300000000, 0.0001546900000000, -0.0005000800000000 ] - [ -0.0005808200000000, 0.0000093200000000, -0.0007672900000000 ] - [ 0.0002424800000000, 0.0000076300000000, 0.0017863300000000 ] - [ -0.0001706800000000, 0.0001414200000000, 0.0005074500000000 ] - [ 0.0008244900000000, -0.0002307100000000, 0.0005476100000000 ] - [ 0.0008081500000000, -0.0002354500000000, -0.0017767500000000 ] - [ 0.0008163000000000, 0.0005563500000000, -0.0006137000000000 ] - [ 0.0005517600000000, -0.0007343100000000, 0.0015614800000000 ] - [ 0.0012549000000000, 0.0001365500000000, 0.0042209900000000 ] - [ -0.0001476900000000, 0.0001430600000000, -0.0010901600000000 ] - [ 0.0005271100000000, -0.0057352000000000, -0.0005765600000000 ] - [ -0.0066984500000000, 0.0109408700000000, 0.0077842600000000 ] - [ 0.0077146300000000, 0.0108720100000000, -0.0089259100000000 ] - [ 0.0085697200000000, -0.0029064000000000, 0.0047255500000000 ] - [ -0.0090525900000000, -0.0029189000000000, -0.0047475800000000 ] - [ -0.0002186300000000, 0.0022026100000000, 0.0000066300000000 ] - [ 0.0002449700000000, -0.0019971000000000, -0.0001929300000000 ] - [ 0.0003766400000000, 0.0009153400000000, -0.0005413500000000 ] - [ 0.0001175000000000, 0.0009151800000000, 0.0001573000000000 ] - [ -0.0000954800000000, -0.0001853200000000, -0.0011831100000000 ] - [ -0.0001081800000000, -0.0001898400000000, 0.0001955900000000 ] - [ -0.0001006300000000, 0.0004232000000000, -0.0004931500000000 ] - [ -0.0012700600000000, -0.0001084500000000, 0.0000227500000000 ] - [ -0.0043994800000000, -0.0005487800000000, 0.0012592400000000 ] - [ 0.0018523100000000, -0.0005417600000000, -0.0012145600000000 ] - [ 0.0008239400000000, -0.0001412900000000, 0.0003679000000000 ] - [ 0.0006765300000000, -0.0001439400000000, 0.0009891900000000 ] - [ 0.0007501700000000, 0.0002647100000000, 0.0006787800000000 ]- atom: 97 displacement: [ -0.0023541388675449, 0.0000000000000000, 0.0097189521139017 ] forces: - [ 0.0011594900000000, -0.0003472200000000, 0.0005113300000000 ] - [ 0.0011594900000000, 0.0003472200000000, 0.0005113300000000 ] - [ 0.0001669700000000, 0.0000000000000000, 0.0002862800000000 ] - [ 0.0021244300000000, 0.0000000000000000, -0.0015751000000000 ] - [ 0.0002583100000000, 0.0002473400000000, -0.0002646400000000 ] - [ 0.0002583100000000, -0.0002473400000000, -0.0002646400000000 ] - [ 0.0004732600000000, -0.0005042300000000, -0.0012857200000000 ] - [ 0.0004732600000000, 0.0005042300000000, -0.0012857200000000 ] - [ 0.0003247300000000, 0.0000000000000000, -0.0007450300000000 ] - [ 0.0000004500000000, 0.0000000000000000, -0.0005381900000000 ] - [ 0.0003464100000000, -0.0001562900000000, -0.0003282900000000 ] - [ 0.0003464100000000, 0.0001562900000000, -0.0003282900000000 ] - [ -0.0001281500000000, -0.0003639500000000, -0.0012109600000000 ] - [ -0.0001281500000000, 0.0003639500000000, -0.0012109600000000 ] - [ -0.0002002200000000, 0.0000000000000000, -0.0007391200000000 ] - [ -0.0013058600000000, 0.0040005800000000, 0.0016976900000000 ] - [ -0.0013058600000000, -0.0040005800000000, 0.0016976900000000 ] - [ 0.0000414900000000, 0.0000000000000000, 0.0002803100000000 ] - [ -0.0007701400000000, 0.0000000000000000, -0.0048428800000000 ] - [ -0.0004639300000000, -0.0003713300000000, -0.0011469100000000 ] - [ -0.0004639300000000, 0.0003713300000000, -0.0011469100000000 ] - [ 0.0022840300000000, 0.0000000000000000, 0.0176719400000000 ] - [ -0.0014593300000000, -0.0033330300000000, 0.0014470300000000 ] - [ -0.0014593300000000, 0.0033330300000000, 0.0014470300000000 ] - [ -0.0150964600000000, 0.0000000000000000, 0.0120215800000000 ] - [ 0.0016655000000000, 0.0052806200000000, 0.0025376600000000 ] - [ 0.0016655000000000, -0.0052806200000000, 0.0025376600000000 ] - [ 0.0015151900000000, 0.0025810000000000, -0.0035474000000000 ] - [ 0.0015151900000000, -0.0025810000000000, -0.0035474000000000 ] - [ -0.0000607300000000, 0.0000000000000000, -0.0006833100000000 ] - [ -0.0061212300000000, -0.0034345100000000, 0.0141331200000000 ] - [ -0.0061212300000000, 0.0034345100000000, 0.0141331200000000 ] - [ -0.0007477300000000, 0.0000000000000000, 0.0030226200000000 ] - [ -0.0044014400000000, -0.0010457800000000, -0.0017928600000000 ] - [ -0.0044014400000000, 0.0010457800000000, -0.0017928600000000 ] - [ -0.0010601600000000, 0.0000000000000000, -0.0007617000000000 ] - [ 0.0014995900000000, 0.0000000000000000, 0.0027768900000000 ] - [ 0.0001898400000000, -0.0005621600000000, 0.0014204500000000 ] - [ 0.0001898400000000, 0.0005621600000000, 0.0014204500000000 ] - [ -0.0033382700000000, 0.0000000000000000, -0.0028790000000000 ] - [ -0.0008132800000000, 0.0004455100000000, -0.0020559000000000 ] - [ -0.0008132800000000, -0.0004455100000000, -0.0020559000000000 ] - [ -0.0009493400000000, 0.0000000000000000, 0.0001455200000000 ] - [ -0.0008958500000000, -0.0001275300000000, -0.0000700100000000 ] - [ -0.0008958500000000, 0.0001275300000000, -0.0000700100000000 ] - [ 0.0016637400000000, 0.0000032400000000, 0.0077036700000000 ] - [ 0.0016637400000000, -0.0000032400000000, 0.0077036700000000 ] - [ -0.0001036700000000, 0.0000000000000000, 0.0041646600000000 ] - [ -0.0125402600000000, 0.0000000000000000, -0.0048302100000000 ] - [ -0.0003726900000000, 0.0003255000000000, -0.0009809600000000 ] - [ -0.0003726900000000, -0.0003255000000000, -0.0009809600000000 ] - [ -0.0008027200000000, 0.0000061900000000, -0.0025176100000000 ] - [ -0.0008027200000000, -0.0000061900000000, -0.0025176100000000 ] - [ -0.0002274700000000, 0.0000000000000000, -0.0014307500000000 ] - [ 0.0007017400000000, 0.0000000000000000, -0.0009864700000000 ] - [ 0.0004135100000000, 0.0001309000000000, 0.0012738300000000 ] - [ 0.0004135100000000, -0.0001309000000000, 0.0012738300000000 ] - [ -0.0007984400000000, 0.0000859700000000, -0.0020481400000000 ] - [ -0.0007984400000000, -0.0000859700000000, -0.0020481400000000 ] - [ -0.0005392500000000, 0.0000000000000000, -0.0010861600000000 ] - [ -0.0014260500000000, 0.0000000000000000, -0.0000829900000000 ] - [ -0.0007494600000000, -0.0000904200000000, -0.0002510000000000 ] - [ -0.0007494600000000, 0.0000904200000000, -0.0002510000000000 ] - [ 0.0000378600000000, -0.0002285700000000, -0.0021696300000000 ] - [ 0.0000378600000000, 0.0002285700000000, -0.0021696300000000 ] - [ 0.0009228800000000, 0.0000000000000000, -0.0011840300000000 ] - [ -0.0012710300000000, 0.0000000000000000, -0.0010400200000000 ] - [ -0.0003073900000000, -0.0000474500000000, -0.0001436900000000 ] - [ -0.0003073900000000, 0.0000474500000000, -0.0001436900000000 ] - [ 0.0002702800000000, -0.0004889200000000, 0.0010658100000000 ] - [ 0.0002702800000000, 0.0004889200000000, 0.0010658100000000 ] - [ 0.0002008100000000, 0.0000000000000000, 0.0006554500000000 ] - [ 0.0119567200000000, 0.0000000000000000, 0.0044994500000000 ] - [ 0.0001182200000000, 0.0005935200000000, 0.0006396200000000 ] - [ 0.0001182200000000, -0.0005935200000000, 0.0006396200000000 ] - [ 0.0011712200000000, -0.0015637800000000, -0.0044082300000000 ] - [ 0.0011712200000000, 0.0015637800000000, -0.0044082300000000 ] - [ 0.0009233500000000, 0.0000000000000000, -0.0018883200000000 ] - [ -0.0042728500000000, 0.0039224400000000, -0.0067003300000000 ] - [ -0.0042728500000000, -0.0039224400000000, -0.0067003300000000 ] - [ -0.0022577000000000, 0.0000000000000000, -0.0044351800000000 ] - [ 0.0006817400000000, 0.0000000000000000, 0.0029084600000000 ] - [ -0.0003759200000000, -0.0000808600000000, 0.0019815300000000 ] - [ -0.0003759200000000, 0.0000808600000000, 0.0019815300000000 ] - [ 0.0076885000000000, 0.0000000000000000, 0.0212263200000000 ] - [ 0.0003987500000000, -0.0006115600000000, -0.0000314100000000 ] - [ 0.0003987500000000, 0.0006115600000000, -0.0000314100000000 ] - [ 0.0040864300000000, 0.0000000000000000, 0.0065781300000000 ] - [ -0.0001073400000000, -0.0001664000000000, 0.0014909300000000 ] - [ -0.0001073400000000, 0.0001664000000000, 0.0014909300000000 ] - [ 0.0004643500000000, -0.0003697900000000, 0.0016383700000000 ] - [ 0.0004643500000000, 0.0003697900000000, 0.0016383700000000 ] - [ 0.0004805300000000, 0.0000000000000000, 0.0011173600000000 ] - [ -0.0055297800000000, 0.0000000000000000, 0.0072972100000000 ] - [ 0.0012788900000000, 0.0012641400000000, 0.0013119800000000 ] - [ 0.0012788900000000, -0.0012641400000000, 0.0013119800000000 ] - [ 0.0216064100000000, 0.0000000000000000, -0.0924666500000000 ] - [ 0.0011879400000000, 0.0006172900000000, -0.0019026800000000 ] - [ 0.0011879400000000, -0.0006172900000000, -0.0019026800000000 ] - [ -0.0021544400000000, -0.0090263800000000, 0.0042645700000000 ] - [ -0.0021544400000000, 0.0090263800000000, 0.0042645700000000 ] - [ -0.0004163400000000, 0.0000000000000000, -0.0009913400000000 ] - [ 0.0043811300000000, 0.0110300000000000, 0.0023874900000000 ] - [ 0.0043811300000000, -0.0110300000000000, 0.0023874900000000 ] - [ 0.0011290800000000, 0.0000000000000000, -0.0015734900000000 ] - [ 0.0046091000000000, 0.0000000000000000, 0.0004382200000000 ] - [ 0.0001163800000000, -0.0005011900000000, 0.0008894600000000 ] - [ 0.0001163800000000, 0.0005011900000000, 0.0008894600000000 ] - [ 0.0000835400000000, 0.0004442200000000, 0.0014848600000000 ] - [ 0.0000835400000000, -0.0004442200000000, 0.0014848600000000 ] - [ 0.0002649600000000, 0.0000000000000000, 0.0004475800000000 ] - [ 0.0001942900000000, -0.0001937800000000, 0.0029984000000000 ] - [ 0.0001942900000000, 0.0001937800000000, 0.0029984000000000 ] - [ -0.0000830000000000, 0.0000000000000000, 0.0014642500000000 ] - [ 0.0012970700000000, 0.0006067800000000, 0.0006575600000000 ] - [ 0.0012970700000000, -0.0006067800000000, 0.0006575600000000 ] - [ 0.0012084300000000, 0.0000000000000000, -0.0000476400000000 ] - [ 0.0000535800000000, 0.0000000000000000, 0.0014227900000000 ] - [ -0.0000259500000000, 0.0005906700000000, 0.0008101500000000 ] - [ -0.0000259500000000, -0.0005906700000000, 0.0008101500000000 ] - [ -0.0036236700000000, 0.0000000000000000, -0.0012858800000000 ] - [ 0.0009306200000000, -0.0002983300000000, -0.0012546500000000 ] - [ 0.0009306200000000, 0.0002983300000000, -0.0012546500000000 ] - [ -0.0022234100000000, 0.0004383000000000, -0.0020446900000000 ] - [ -0.0022234100000000, -0.0004383000000000, -0.0020446900000000 ] - [ -0.0000970300000000, 0.0000000000000000, -0.0007247200000000 ] - [ 0.0013650900000000, 0.0000000000000000, -0.0003497700000000 ] - [ 0.0012357600000000, -0.0006447700000000, -0.0002899100000000 ] - [ 0.0012357600000000, 0.0006447700000000, -0.0002899100000000 ] - [ 0.0000374300000000, -0.0006118200000000, 0.0006810200000000 ] - [ 0.0000374300000000, 0.0006118200000000, 0.0006810200000000 ] - [ -0.0002152000000000, 0.0000000000000000, 0.0001880000000000 ] - [ -0.0020333600000000, 0.0000000000000000, -0.0001036000000000 ] - [ -0.0007160100000000, 0.0004630600000000, -0.0006977300000000 ] - [ -0.0007160100000000, -0.0004630600000000, -0.0006977300000000 ] - [ 0.0012451200000000, 0.0003937000000000, 0.0025148500000000 ] - [ 0.0012451200000000, -0.0003937000000000, 0.0025148500000000 ] - [ 0.0009890300000000, 0.0000000000000000, 0.0018624500000000 ]- atom: 97 displacement: [ 0.0023541388675449, 0.0000000000000000, -0.0097189521139017 ] forces: - [ -0.0015807800000000, 0.0003542200000000, -0.0002688400000000 ] - [ -0.0015807800000000, -0.0003542200000000, -0.0002688400000000 ] - [ -0.0005766600000000, 0.0000000000000000, -0.0000406400000000 ] - [ -0.0023628700000000, 0.0000000000000000, 0.0020559700000000 ] - [ -0.0004882400000000, -0.0002503400000000, 0.0007223500000000 ] - [ -0.0004882400000000, 0.0002503400000000, 0.0007223500000000 ] - [ -0.0002466300000000, 0.0005073900000000, 0.0008370200000000 ] - [ -0.0002466300000000, -0.0005073900000000, 0.0008370200000000 ] - [ -0.0001011900000000, 0.0000000000000000, 0.0002815200000000 ] - [ 0.0004022400000000, 0.0000000000000000, 0.0002938200000000 ] - [ 0.0000575000000000, 0.0001552100000000, 0.0000859300000000 ] - [ 0.0000575000000000, -0.0001552100000000, 0.0000859300000000 ] - [ 0.0003152000000000, 0.0003704400000000, 0.0020864700000000 ] - [ 0.0003152000000000, -0.0003704400000000, 0.0020864700000000 ] - [ 0.0003911600000000, 0.0000000000000000, 0.0016120000000000 ] - [ 0.0023074800000000, -0.0039775100000000, -0.0019219400000000 ] - [ 0.0023074800000000, 0.0039775100000000, -0.0019219400000000 ] - [ 0.0009625400000000, 0.0000000000000000, -0.0005083800000000 ] - [ 0.0008891100000000, 0.0000000000000000, 0.0066835900000000 ] - [ 0.0005778000000000, 0.0003682300000000, 0.0030004800000000 ] - [ 0.0005778000000000, -0.0003682300000000, 0.0030004800000000 ] - [ -0.0006221800000000, 0.0000000000000000, -0.0172504600000000 ] - [ 0.0024911800000000, 0.0033143800000000, -0.0022921200000000 ] - [ 0.0024911800000000, -0.0033143800000000, -0.0022921200000000 ] - [ 0.0171287400000000, 0.0000000000000000, -0.0137468600000000 ] - [ -0.0006446300000000, -0.0053192100000000, -0.0024766100000000 ] - [ -0.0006446300000000, 0.0053192100000000, -0.0024766100000000 ] - [ -0.0025247800000000, -0.0025808700000000, 0.0034477300000000 ] - [ -0.0025247800000000, 0.0025808700000000, 0.0034477300000000 ] - [ -0.0009437500000000, 0.0000000000000000, 0.0005935900000000 ] - [ 0.0051197300000000, 0.0033733400000000, -0.0132713300000000 ] - [ 0.0051197300000000, -0.0033733400000000, -0.0132713300000000 ] - [ -0.0002530900000000, 0.0000000000000000, -0.0021736100000000 ] - [ 0.0043199200000000, 0.0010508500000000, -0.0000729900000000 ] - [ 0.0043199200000000, -0.0010508500000000, -0.0000729900000000 ] - [ 0.0009570300000000, 0.0000000000000000, -0.0011007400000000 ] - [ -0.0025601000000000, 0.0000000000000000, -0.0025349000000000 ] - [ -0.0012552100000000, 0.0005718900000000, -0.0012075000000000 ] - [ -0.0012552100000000, -0.0005718900000000, -0.0012075000000000 ] - [ 0.0031657000000000, 0.0000000000000000, 0.0020132500000000 ] - [ 0.0006264200000000, -0.0004511300000000, 0.0011869600000000 ] - [ 0.0006264200000000, 0.0004511300000000, 0.0011869600000000 ] - [ 0.0008197500000000, 0.0000000000000000, -0.0004461200000000 ] - [ 0.0007720800000000, 0.0001284300000000, -0.0002329900000000 ] - [ 0.0007720800000000, -0.0001284300000000, -0.0002329900000000 ] - [ -0.0026611200000000, -0.0000207000000000, -0.0072080500000000 ] - [ -0.0026611200000000, 0.0000207000000000, -0.0072080500000000 ] - [ -0.0008901000000000, 0.0000000000000000, -0.0036452200000000 ] - [ 0.0128473800000000, 0.0000000000000000, 0.0054716400000000 ] - [ 0.0006044400000000, -0.0003280500000000, 0.0015877000000000 ] - [ 0.0006044400000000, 0.0003280500000000, 0.0015877000000000 ] - [ 0.0005793700000000, -0.0000059600000000, 0.0019238100000000 ] - [ 0.0005793700000000, 0.0000059600000000, 0.0019238100000000 ] - [ 0.0000048100000000, 0.0000000000000000, 0.0008340300000000 ] - [ 0.0002633900000000, 0.0000000000000000, 0.0004904000000000 ] - [ 0.0005371700000000, -0.0001536500000000, -0.0017287900000000 ] - [ 0.0005371700000000, 0.0001536500000000, -0.0017287900000000 ] - [ 0.0009238100000000, -0.0000856200000000, 0.0023471900000000 ] - [ 0.0009238100000000, 0.0000856200000000, 0.0023471900000000 ] - [ 0.0006642500000000, 0.0000000000000000, 0.0013880900000000 ] - [ -0.0000661400000000, 0.0000000000000000, -0.0012734200000000 ] - [ -0.0007500300000000, 0.0000924500000000, -0.0010993600000000 ] - [ -0.0007500300000000, -0.0000924500000000, -0.0010993600000000 ] - [ 0.0025195300000000, 0.0002334500000000, 0.0021376300000000 ] - [ 0.0025195300000000, -0.0002334500000000, 0.0021376300000000 ] - [ 0.0016239700000000, 0.0000000000000000, 0.0011472500000000 ] - [ 0.0014880600000000, 0.0000000000000000, 0.0020448500000000 ] - [ 0.0005136800000000, 0.0000484100000000, 0.0011493500000000 ] - [ 0.0005136800000000, -0.0000484100000000, 0.0011493500000000 ] - [ -0.0007627200000000, 0.0004865600000000, -0.0006874500000000 ] - [ -0.0007627200000000, -0.0004865600000000, -0.0006874500000000 ] - [ -0.0006898600000000, 0.0000000000000000, -0.0002785000000000 ] - [ -0.0114351800000000, 0.0000000000000000, -0.0044876600000000 ] - [ 0.0003168300000000, -0.0005882900000000, -0.0006627300000000 ] - [ 0.0003168300000000, 0.0005882900000000, -0.0006627300000000 ] - [ -0.0022395500000000, 0.0015573300000000, 0.0055858900000000 ] - [ -0.0022395500000000, -0.0015573300000000, 0.0055858900000000 ] - [ -0.0019787000000000, 0.0000000000000000, 0.0030707000000000 ] - [ 0.0031897100000000, -0.0039644600000000, 0.0036282000000000 ] - [ 0.0031897100000000, 0.0039644600000000, 0.0036282000000000 ] - [ 0.0011664000000000, 0.0000000000000000, 0.0013381800000000 ] - [ -0.0023217400000000, 0.0000000000000000, -0.0016894700000000 ] - [ -0.0012583900000000, 0.0000837400000000, -0.0007646000000000 ] - [ -0.0012583900000000, -0.0000837400000000, -0.0007646000000000 ] - [ -0.0074042100000000, 0.0000000000000000, -0.0225160600000000 ] - [ -0.0000588700000000, 0.0006178100000000, -0.0009724900000000 ] - [ -0.0000588700000000, -0.0006178100000000, -0.0009724900000000 ] - [ -0.0047087400000000, 0.0000000000000000, -0.0056226900000000 ] - [ -0.0004879500000000, 0.0001686500000000, -0.0004975200000000 ] - [ -0.0004879500000000, -0.0001686500000000, -0.0004975200000000 ] - [ 0.0006003700000000, 0.0003679700000000, -0.0013742300000000 ] - [ 0.0006003700000000, -0.0003679700000000, -0.0013742300000000 ] - [ 0.0005819300000000, 0.0000000000000000, -0.0008496400000000 ] - [ 0.0061910000000000, 0.0000000000000000, -0.0065359500000000 ] - [ -0.0005955800000000, -0.0012559000000000, -0.0005467800000000 ] - [ -0.0005955800000000, 0.0012559000000000, -0.0005467800000000 ] - [ -0.0242329000000000, 0.0000000000000000, 0.0932884300000000 ] - [ -0.0021729600000000, -0.0006552200000000, 0.0019329300000000 ] - [ -0.0021729600000000, 0.0006552200000000, 0.0019329300000000 ] - [ 0.0030655200000000, 0.0088781600000000, -0.0042020700000000 ] - [ 0.0030655200000000, -0.0088781600000000, -0.0042020700000000 ] - [ 0.0013120400000000, 0.0000000000000000, 0.0009614000000000 ] - [ -0.0050992000000000, -0.0111701000000000, -0.0032099600000000 ] - [ -0.0050992000000000, 0.0111701000000000, -0.0032099600000000 ] - [ -0.0018256500000000, 0.0000000000000000, 0.0008298500000000 ] - [ -0.0057140700000000, 0.0000000000000000, -0.0007044000000000 ] - [ -0.0011883200000000, 0.0005046800000000, -0.0011611200000000 ] - [ -0.0011883200000000, -0.0005046800000000, -0.0011611200000000 ] - [ 0.0005141600000000, -0.0004471700000000, -0.0024875400000000 ] - [ 0.0005141600000000, 0.0004471700000000, -0.0024875400000000 ] - [ 0.0003295100000000, 0.0000000000000000, -0.0014484600000000 ] - [ -0.0005376100000000, 0.0001931300000000, -0.0019965100000000 ] - [ -0.0005376100000000, -0.0001931300000000, -0.0019965100000000 ] - [ -0.0002620300000000, 0.0000000000000000, -0.0004634100000000 ] - [ 0.0003365300000000, -0.0006116200000000, -0.0018788000000000 ] - [ 0.0003365300000000, 0.0006116200000000, -0.0018788000000000 ] - [ 0.0004233000000000, 0.0000000000000000, -0.0011686400000000 ] - [ 0.0010422400000000, 0.0000000000000000, 0.0016782300000000 ] - [ 0.0011166200000000, -0.0005845400000000, 0.0022746200000000 ] - [ 0.0011166200000000, 0.0005845400000000, 0.0022746200000000 ] - [ 0.0046298000000000, 0.0000000000000000, 0.0000552100000000 ] - [ 0.0002114900000000, 0.0002093300000000, -0.0000279400000000 ] - [ 0.0002114900000000, -0.0002093300000000, -0.0000279400000000 ] - [ 0.0018477400000000, -0.0004626200000000, 0.0021116800000000 ] - [ 0.0018477400000000, 0.0004626200000000, 0.0021116800000000 ] - [ -0.0003332400000000, 0.0000000000000000, 0.0007607100000000 ] - [ -0.0008775400000000, 0.0000000000000000, -0.0000225600000000 ] - [ -0.0007487600000000, 0.0006485200000000, -0.0000837300000000 ] - [ -0.0007487600000000, -0.0006485200000000, -0.0000837300000000 ] - [ -0.0002320700000000, 0.0006080300000000, -0.0016768400000000 ] - [ -0.0002320700000000, -0.0006080300000000, -0.0016768400000000 ] - [ 0.0000188400000000, 0.0000000000000000, -0.0011862600000000 ] - [ -0.0004806600000000, 0.0000000000000000, 0.0001344300000000 ] - [ -0.0017737600000000, -0.0004524000000000, 0.0007194000000000 ] - [ -0.0017737600000000, 0.0004524000000000, 0.0007194000000000 ] - [ 0.0002553800000000, -0.0003964800000000, -0.0011644100000000 ] - [ 0.0002553800000000, 0.0003964800000000, -0.0011644100000000 ] - [ 0.0005123900000000, 0.0000000000000000, -0.0005132800000000 ]