# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a574d9ea-0144-4a40-b1ee-1ff6e7c6aa5c/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 KNa3Al4(SiO4)4 / P6_3 (173) / materials id 559901](https://mdr.nims.go.jp/datasets/1f8b238a-d1b3-4eb9-a2a9-bcb1db086d71) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P6_3" number: 173 Hall_symbol: "P 6c"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 10.003949420000000, 0.000000010000000, 0.000000000000000 ] # a - [ -5.001974710000000, 8.663674329999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.432866669999999 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.993681580000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.493681580000000 ] mass: 39.098300 - symbol: Na # 3 coordinates: [ 0.447297550000000, 0.004612290000000, 0.499780800000000 ] mass: 22.989769 - symbol: Na # 4 coordinates: [ 0.995387710000000, 0.442685260000000, 0.499780800000000 ] mass: 22.989769 - symbol: Na # 5 coordinates: [ 0.442685260000000, 0.447297550000000, 0.999780800000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.004612290000000, 0.557314740000000, 0.999780800000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.552702450000000, 0.995387710000000, 0.999780800000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.557314740000000, 0.552702450000000, 0.499780800000000 ] mass: 22.989769 - symbol: Al # 9 coordinates: [ 0.668372420000000, 0.911241720000000, 0.686766060000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.757130700000000, 0.668372420000000, 0.186766060000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.697721400000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.197721400000000 ] mass: 26.981539 - symbol: Al # 13 coordinates: [ 0.088758280000000, 0.757130700000000, 0.686766060000000 ] mass: 26.981539 - symbol: Al # 14 coordinates: [ 0.911241720000000, 0.242869300000000, 0.186766060000000 ] mass: 26.981539 - symbol: Al # 15 coordinates: [ 0.331627580000000, 0.088758280000000, 0.186766060000000 ] mass: 26.981539 - symbol: Al # 16 coordinates: [ 0.242869300000000, 0.331627580000000, 0.686766060000000 ] mass: 26.981539 - symbol: Si # 17 coordinates: [ 0.910535990000000, 0.242934140000000, 0.815301500000000 ] mass: 28.085500 - symbol: Si # 18 coordinates: [ 0.242934140000000, 0.332398140000000, 0.315301500000000 ] mass: 28.085500 - symbol: Si # 19 coordinates: [ 0.757065860000000, 0.667601860000000, 0.815301500000000 ] mass: 28.085500 - symbol: Si # 20 coordinates: [ 0.667601860000000, 0.910535990000000, 0.315301500000000 ] mass: 28.085500 - symbol: Si # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.800837740000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.300837740000000 ] mass: 28.085500 - symbol: Si # 23 coordinates: [ 0.332398140000000, 0.089464010000000, 0.815301500000000 ] mass: 28.085500 - symbol: Si # 24 coordinates: [ 0.089464010000000, 0.757065860000000, 0.315301500000000 ] mass: 28.085500 - symbol: O # 25 coordinates: [ 0.223572650000000, 0.938977870000000, 0.320809020000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.776427350000000, 0.061022130000000, 0.820809020000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.984062720000000, 0.293795510000000, 0.993193310000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.956028130000000, 0.735558490000000, 0.189315050000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.061022130000000, 0.284594780000000, 0.320809020000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.779530350000000, 0.043971870000000, 0.189315050000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.264441510000000, 0.220469650000000, 0.189315050000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.488604060000000, 0.842468100000000, 0.261703070000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.715405220000000, 0.776427350000000, 0.320809020000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.646135950000000, 0.488604060000000, 0.761703070000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.168433800000000, 0.642809600000000, 0.738171990000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.309732800000000, 0.015937280000000, 0.993193310000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.842468100000000, 0.353864050000000, 0.761703070000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.525624200000000, 0.168433800000000, 0.238171990000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.642809600000000, 0.474375800000000, 0.238171990000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.706204490000000, 0.690267200000000, 0.993193310000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.511395940000000, 0.157531900000000, 0.761703070000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.353864050000000, 0.511395940000000, 0.261703070000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.831566200000000, 0.357190400000000, 0.238171990000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.293795510000000, 0.309732800000000, 0.493193310000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.015937280000000, 0.706204490000000, 0.493193310000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.157531900000000, 0.646135950000000, 0.261703070000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.043971870000000, 0.264441510000000, 0.689315050000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.735558490000000, 0.779530350000000, 0.689315050000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.474375800000000, 0.831566200000000, 0.738171990000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.284594780000000, 0.223572650000000, 0.820809020000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.492636910000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.357190400000000, 0.525624200000000, 0.738171990000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.938977870000000, 0.715405220000000, 0.820809020000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.690267200000000, 0.984062720000000, 0.493193310000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.333333330000000, 0.666666670000000, 0.992636910000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.220469650000000, 0.956028130000000, 0.689315050000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.099960521334071, 0.057712233939828, 0.000000000000000 ] # a* - [ -0.000000000115379, 0.115424467879655, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.118583636992330 ] # c*unit_cell: lattice: - [ 10.003949420000000, 0.000000010000000, 0.000000000000000 ] # a - [ -5.001974710000000, 8.663674329999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.432866669999999 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.993681580000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.493681580000000 ] mass: 39.098300 reduced_to: 2 - symbol: Na # 3 coordinates: [ 0.447297550000000, 0.004612290000000, 0.499780800000000 ] mass: 22.989769 reduced_to: 3 - symbol: Na # 4 coordinates: [ 0.995387710000000, 0.442685260000000, 0.499780800000000 ] mass: 22.989769 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.442685260000000, 0.447297550000000, 0.999780800000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.004612290000000, 0.557314740000000, 0.999780800000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.552702450000000, 0.995387710000000, 0.999780800000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.557314740000000, 0.552702450000000, 0.499780800000000 ] mass: 22.989769 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.668372420000000, 0.911241720000000, 0.686766060000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.757130700000000, 0.668372420000000, 0.186766060000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.666666670000000, 0.333333330000000, 0.697721400000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.197721400000000 ] mass: 26.981539 reduced_to: 12 - symbol: Al # 13 coordinates: [ 0.088758280000000, 0.757130700000000, 0.686766060000000 ] mass: 26.981539 reduced_to: 13 - symbol: Al # 14 coordinates: [ 0.911241720000000, 0.242869300000000, 0.186766060000000 ] mass: 26.981539 reduced_to: 14 - symbol: Al # 15 coordinates: [ 0.331627580000000, 0.088758280000000, 0.186766060000000 ] mass: 26.981539 reduced_to: 15 - symbol: Al # 16 coordinates: [ 0.242869300000000, 0.331627580000000, 0.686766060000000 ] mass: 26.981539 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.910535990000000, 0.242934140000000, 0.815301500000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.242934140000000, 0.332398140000000, 0.315301500000000 ] mass: 28.085500 reduced_to: 18 - symbol: Si # 19 coordinates: [ 0.757065860000000, 0.667601860000000, 0.815301500000000 ] mass: 28.085500 reduced_to: 19 - symbol: Si # 20 coordinates: [ 0.667601860000000, 0.910535990000000, 0.315301500000000 ] mass: 28.085500 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.333333330000000, 0.666666670000000, 0.800837740000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.300837740000000 ] mass: 28.085500 reduced_to: 22 - symbol: Si # 23 coordinates: [ 0.332398140000000, 0.089464010000000, 0.815301500000000 ] mass: 28.085500 reduced_to: 23 - symbol: Si # 24 coordinates: [ 0.089464010000000, 0.757065860000000, 0.315301500000000 ] mass: 28.085500 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.223572650000000, 0.938977870000000, 0.320809020000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.776427350000000, 0.061022130000000, 0.820809020000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.984062720000000, 0.293795510000000, 0.993193310000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.956028130000000, 0.735558490000000, 0.189315050000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.061022130000000, 0.284594780000000, 0.320809020000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.779530350000000, 0.043971870000000, 0.189315050000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.264441510000000, 0.220469650000000, 0.189315050000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.488604060000000, 0.842468100000000, 0.261703070000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.715405220000000, 0.776427350000000, 0.320809020000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.646135950000000, 0.488604060000000, 0.761703070000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.168433800000000, 0.642809600000000, 0.738171990000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.309732800000000, 0.015937280000000, 0.993193310000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.842468100000000, 0.353864050000000, 0.761703070000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.525624200000000, 0.168433800000000, 0.238171990000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.642809600000000, 0.474375800000000, 0.238171990000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.706204490000000, 0.690267200000000, 0.993193310000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.511395940000000, 0.157531900000000, 0.761703070000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.353864050000000, 0.511395940000000, 0.261703070000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.831566200000000, 0.357190400000000, 0.238171990000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.293795510000000, 0.309732800000000, 0.493193310000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.015937280000000, 0.706204490000000, 0.493193310000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.157531900000000, 0.646135950000000, 0.261703070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.043971870000000, 0.264441510000000, 0.689315050000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.735558490000000, 0.779530350000000, 0.689315050000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.474375800000000, 0.831566200000000, 0.738171990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.284594780000000, 0.223572650000000, 0.820809020000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.492636910000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.357190400000000, 0.525624200000000, 0.738171990000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.938977870000000, 0.715405220000000, 0.820809020000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.690267200000000, 0.984062720000000, 0.493193310000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.333333330000000, 0.666666670000000, 0.992636910000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.220469650000000, 0.956028130000000, 0.689315050000000 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 10.003949420000000, 0.000000010000000, 0.000000000000000 ] # a - [ -5.001974710000000, 8.663674329999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.865733339999998 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.496840790000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.996840790000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.246840790000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.746840790000000 ] mass: 39.098300 reduced_to: 3 - symbol: Na # 5 coordinates: [ 0.447297550000000, 0.004612290000000, 0.249890400000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.447297550000000, 0.004612290000000, 0.749890400000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 7 coordinates: [ 0.995387710000000, 0.442685260000000, 0.249890400000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.995387710000000, 0.442685260000000, 0.749890400000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.442685260000000, 0.447297550000000, 0.499890400000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.442685260000000, 0.447297550000000, 0.999890400000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.004612290000000, 0.557314740000000, 0.499890400000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.004612290000000, 0.557314740000000, 0.999890400000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.552702450000000, 0.995387710000000, 0.499890400000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.552702450000000, 0.995387710000000, 0.999890400000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.557314740000000, 0.552702450000000, 0.249890400000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.557314740000000, 0.552702450000000, 0.749890400000000 ] mass: 22.989769 reduced_to: 15 - symbol: Al # 17 coordinates: [ 0.668372420000000, 0.911241720000000, 0.343383030000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.668372420000000, 0.911241720000000, 0.843383030000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 19 coordinates: [ 0.757130700000000, 0.668372420000000, 0.093383030000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.757130700000000, 0.668372420000000, 0.593383030000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.348860700000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.848860700000000 ] mass: 26.981539 reduced_to: 21 - symbol: Al # 23 coordinates: [ 0.333333330000000, 0.666666670000000, 0.098860700000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.598860700000000 ] mass: 26.981539 reduced_to: 23 - symbol: Al # 25 coordinates: [ 0.088758280000000, 0.757130700000000, 0.343383030000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 26 coordinates: [ 0.088758280000000, 0.757130700000000, 0.843383030000000 ] mass: 26.981539 reduced_to: 25 - symbol: Al # 27 coordinates: [ 0.911241720000000, 0.242869300000000, 0.093383030000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 28 coordinates: [ 0.911241720000000, 0.242869300000000, 0.593383030000000 ] mass: 26.981539 reduced_to: 27 - symbol: Al # 29 coordinates: [ 0.331627580000000, 0.088758280000000, 0.093383030000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 30 coordinates: [ 0.331627580000000, 0.088758280000000, 0.593383030000000 ] mass: 26.981539 reduced_to: 29 - symbol: Al # 31 coordinates: [ 0.242869300000000, 0.331627580000000, 0.343383030000000 ] mass: 26.981539 reduced_to: 31 - symbol: Al # 32 coordinates: [ 0.242869300000000, 0.331627580000000, 0.843383030000000 ] mass: 26.981539 reduced_to: 31 - symbol: Si # 33 coordinates: [ 0.910535990000000, 0.242934140000000, 0.407650750000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 34 coordinates: [ 0.910535990000000, 0.242934140000000, 0.907650750000000 ] mass: 28.085500 reduced_to: 33 - symbol: Si # 35 coordinates: [ 0.242934140000000, 0.332398140000000, 0.157650750000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 36 coordinates: [ 0.242934140000000, 0.332398140000000, 0.657650750000000 ] mass: 28.085500 reduced_to: 35 - symbol: Si # 37 coordinates: [ 0.757065860000000, 0.667601860000000, 0.407650750000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 38 coordinates: [ 0.757065860000000, 0.667601860000000, 0.907650750000000 ] mass: 28.085500 reduced_to: 37 - symbol: Si # 39 coordinates: [ 0.667601860000000, 0.910535990000000, 0.157650750000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 40 coordinates: [ 0.667601860000000, 0.910535990000000, 0.657650750000000 ] mass: 28.085500 reduced_to: 39 - symbol: Si # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.400418870000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.333333330000000, 0.666666670000000, 0.900418870000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.150418870000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.650418870000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 45 coordinates: [ 0.332398140000000, 0.089464010000000, 0.407650750000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 46 coordinates: [ 0.332398140000000, 0.089464010000000, 0.907650750000000 ] mass: 28.085500 reduced_to: 45 - symbol: Si # 47 coordinates: [ 0.089464010000000, 0.757065860000000, 0.157650750000000 ] mass: 28.085500 reduced_to: 47 - symbol: Si # 48 coordinates: [ 0.089464010000000, 0.757065860000000, 0.657650750000000 ] mass: 28.085500 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.223572650000000, 0.938977870000000, 0.160404510000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.223572650000000, 0.938977870000000, 0.660404510000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.776427350000000, 0.061022130000000, 0.410404510000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.776427350000000, 0.061022130000000, 0.910404510000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.984062720000000, 0.293795510000000, 0.496596655000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.984062720000000, 0.293795510000000, 0.996596655000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.956028130000000, 0.735558490000000, 0.094657525000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.956028130000000, 0.735558490000000, 0.594657525000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.061022130000000, 0.284594780000000, 0.160404510000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.061022130000000, 0.284594780000000, 0.660404510000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.779530350000000, 0.043971870000000, 0.094657525000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.779530350000000, 0.043971870000000, 0.594657525000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.264441510000000, 0.220469650000000, 0.094657525000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.264441510000000, 0.220469650000000, 0.594657525000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.488604060000000, 0.842468100000000, 0.130851535000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.488604060000000, 0.842468100000000, 0.630851535000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.715405220000000, 0.776427350000000, 0.160404510000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.715405220000000, 0.776427350000000, 0.660404510000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.646135950000000, 0.488604060000000, 0.380851535000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.646135950000000, 0.488604060000000, 0.880851535000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.168433800000000, 0.642809600000000, 0.369085995000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.168433800000000, 0.642809600000000, 0.869085995000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.309732800000000, 0.015937280000000, 0.496596655000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.309732800000000, 0.015937280000000, 0.996596655000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.842468100000000, 0.353864050000000, 0.380851535000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.842468100000000, 0.353864050000000, 0.880851535000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.525624200000000, 0.168433800000000, 0.119085995000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.525624200000000, 0.168433800000000, 0.619085995000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.642809600000000, 0.474375800000000, 0.119085995000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.642809600000000, 0.474375800000000, 0.619085995000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.706204490000000, 0.690267200000000, 0.496596655000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.706204490000000, 0.690267200000000, 0.996596655000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.511395940000000, 0.157531900000000, 0.380851535000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.511395940000000, 0.157531900000000, 0.880851535000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.353864050000000, 0.511395940000000, 0.130851535000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.353864050000000, 0.511395940000000, 0.630851535000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.831566200000000, 0.357190400000000, 0.119085995000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.831566200000000, 0.357190400000000, 0.619085995000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.293795510000000, 0.309732800000000, 0.246596655000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.293795510000000, 0.309732800000000, 0.746596655000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.015937280000000, 0.706204490000000, 0.246596655000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.015937280000000, 0.706204490000000, 0.746596655000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.157531900000000, 0.646135950000000, 0.130851535000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.157531900000000, 0.646135950000000, 0.630851535000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.043971870000000, 0.264441510000000, 0.344657525000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.043971870000000, 0.264441510000000, 0.844657525000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.735558490000000, 0.779530350000000, 0.344657525000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.735558490000000, 0.779530350000000, 0.844657525000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.474375800000000, 0.831566200000000, 0.369085995000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.474375800000000, 0.831566200000000, 0.869085995000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.284594780000000, 0.223572650000000, 0.410404510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.284594780000000, 0.223572650000000, 0.910404510000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.666666670000000, 0.333333330000000, 0.246318455000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.666666670000000, 0.333333330000000, 0.746318455000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.357190400000000, 0.525624200000000, 0.369085995000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.357190400000000, 0.525624200000000, 0.869085995000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.938977870000000, 0.715405220000000, 0.410404510000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.938977870000000, 0.715405220000000, 0.910404510000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.690267200000000, 0.984062720000000, 0.246596655000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.690267200000000, 0.984062720000000, 0.746596655000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.333333330000000, 0.666666670000000, 0.496318455000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.333333330000000, 0.666666670000000, 0.996318455000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.220469650000000, 0.956028130000000, 0.344657525000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.220469650000000, 0.956028130000000, 0.844657525000000 ] mass: 15.999400 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0220779900000000, -0.0001357400000000, 0.0001405800000000 ] - [ -0.0000999500000000, -0.0000000100000000, 0.0001351500000000 ] - [ -0.0009675700000000, 0.0000076300000000, 0.0001385500000000 ] - [ -0.0009672700000000, -0.0000075500000000, 0.0001320800000000 ] - [ 0.0007637100000000, -0.0001784300000000, -0.0003046400000000 ] - [ 0.0007127400000000, -0.0001580900000000, 0.0002353600000000 ] - [ 0.0001259100000000, -0.0001865000000000, 0.0002491900000000 ] - [ 0.0001094000000000, -0.0001572500000000, -0.0000642900000000 ] - [ 0.0005398300000000, 0.0014936500000000, 0.0000786400000000 ] - [ 0.0001809200000000, 0.0000367300000000, 0.0000320100000000 ] - [ 0.0002773100000000, -0.0016592500000000, -0.0000634100000000 ] - [ -0.0000901000000000, -0.0001945700000000, 0.0000261900000000 ] - [ 0.0028819900000000, 0.0001388900000000, 0.0000751000000000 ] - [ -0.0000046800000000, 0.0001347700000000, 0.0000307000000000 ] - [ -0.0000670200000000, 0.0003748800000000, 0.0001441700000000 ] - [ -0.0000971400000000, 0.0003703800000000, -0.0000809100000000 ] - [ 0.0029168200000000, 0.0024351200000000, 0.0039504200000000 ] - [ -0.0002098900000000, 0.0002101100000000, -0.0008911700000000 ] - [ -0.0003590700000000, -0.0000889600000000, 0.0000725600000000 ] - [ -0.0039652600000000, 0.0029424100000000, -0.0022102700000000 ] - [ 0.0019201100000000, 0.0010489200000000, -0.0001399600000000 ] - [ 0.0000909900000000, -0.0000065500000000, -0.0001401700000000 ] - [ 0.0001803300000000, 0.0001316100000000, -0.0001407400000000 ] - [ 0.0011640100000000, 0.0005285800000000, -0.0001370100000000 ] - [ 0.0004674600000000, -0.0038296700000000, -0.0021054200000000 ] - [ 0.0001275900000000, -0.0002829000000000, 0.0005504800000000 ] - [ -0.0001435700000000, -0.0000014800000000, 0.0000488400000000 ] - [ 0.0023941700000000, -0.0067024400000000, -0.0051658700000000 ] - [ 0.0003224800000000, 0.0001789700000000, -0.0002132200000000 ] - [ 0.0082570600000000, 0.0036850300000000, 0.0073353700000000 ] - [ -0.0034346600000000, 0.0020032600000000, -0.0019494900000000 ] - [ -0.0001787700000000, 0.0002525400000000, 0.0002499700000000 ] - [ 0.0032072300000000, -0.0085967700000000, 0.0059234500000000 ] - [ 0.0002379200000000, -0.0001236100000000, -0.0000524000000000 ] - [ -0.0001602400000000, -0.0001173900000000, -0.0003136400000000 ] - [ -0.0035171200000000, 0.0021553200000000, 0.0023575800000000 ] - [ -0.0053934400000000, 0.0041399200000000, 0.0025522600000000 ] - [ -0.0005416100000000, 0.0003574600000000, -0.0001300000000000 ] - [ 0.0001038000000000, 0.0005694600000000, 0.0008752500000000 ] - [ 0.0034290600000000, 0.0036140600000000, -0.0044288900000000 ] - [ 0.0011445200000000, 0.0004911500000000, -0.0000219900000000 ] - [ 0.0002141400000000, 0.0002118700000000, -0.0000218000000000 ] - [ 0.0001006900000000, 0.0000386400000000, -0.0000222300000000 ] - [ 0.0017127200000000, 0.0009933800000000, -0.0000199600000000 ] - [ 0.0098585900000000, 0.0043349000000000, -0.0085537500000000 ] - [ 0.0001176000000000, -0.0001204000000000, 0.0001603500000000 ] - [ -0.0002956000000000, -0.0003302800000000, -0.0005830200000000 ] - [ 0.0003446900000000, -0.0034703200000000, 0.0020567900000000 ] - [ -0.0001007900000000, 0.0002261300000000, 0.0005695500000000 ] - [ -0.0011658400000000, 0.0015974500000000, -0.0022056600000000 ] - [ -0.0006236400000000, 0.0007153600000000, -0.0018361900000000 ] - [ 0.0001582400000000, -0.0000535100000000, 0.0003694100000000 ] - [ 0.0002050700000000, 0.0029966300000000, -0.0001846300000000 ] - [ -0.0001933200000000, 0.0002469200000000, -0.0000336600000000 ] - [ 0.0001403400000000, -0.0002550600000000, 0.0001663700000000 ] - [ 0.0024436200000000, 0.0007478500000000, -0.0002177400000000 ] - [ 0.0001418200000000, -0.0001291800000000, 0.0001255600000000 ] - [ 0.0022199000000000, 0.0007851700000000, 0.0011495800000000 ] - [ -0.0001819500000000, 0.0003206300000000, -0.0001957800000000 ] - [ -0.0008766200000000, -0.0002068900000000, 0.0023344800000000 ] - [ 0.0003718300000000, 0.0000344600000000, 0.0001109900000000 ] - [ 0.0025635900000000, -0.0022504900000000, -0.0019833300000000 ] - [ -0.0003853400000000, 0.0001286800000000, -0.0003227300000000 ] - [ -0.0020845000000000, -0.0008784100000000, 0.0000808900000000 ] - [ 0.0004012800000000, -0.0001635400000000, -0.0001365400000000 ] - [ 0.0005120300000000, -0.0017461100000000, 0.0016040400000000 ] - [ 0.0000415800000000, -0.0010142600000000, -0.0005038600000000 ] - [ -0.0002812900000000, -0.0000169400000000, -0.0001017800000000 ] - [ -0.0007029000000000, 0.0014930500000000, -0.0002637800000000 ] - [ -0.0001132600000000, 0.0006893900000000, -0.0004053900000000 ] - [ -0.0026343900000000, -0.0007638200000000, 0.0005112900000000 ] - [ 0.0002032500000000, 0.0000651700000000, -0.0000486400000000 ] - [ -0.0013487500000000, 0.0017482200000000, -0.0010463800000000 ] - [ 0.0001748900000000, 0.0003313900000000, -0.0001065400000000 ] - [ -0.0006622700000000, 0.0002903500000000, -0.0002527300000000 ] - [ -0.0026049600000000, -0.0007380300000000, -0.0012416300000000 ] - [ 0.0006160000000000, 0.0001984100000000, -0.0002770400000000 ] - [ 0.0006785500000000, -0.0004536700000000, -0.0000238400000000 ] - [ 0.0018695400000000, -0.0022701800000000, -0.0004372300000000 ] - [ 0.0000320200000000, -0.0003256000000000, -0.0000214200000000 ] - [ -0.0027425800000000, -0.0017718600000000, 0.0012329100000000 ] - [ -0.0000502500000000, -0.0003790200000000, -0.0001097700000000 ] - [ 0.0003414200000000, -0.0002164500000000, -0.0000143500000000 ] - [ 0.0007348400000000, -0.0012422500000000, -0.0002928000000000 ] - [ -0.0001368100000000, -0.0005725900000000, -0.0002722100000000 ] - [ -0.0014024400000000, 0.0003218000000000, 0.0004602100000000 ] - [ 0.0005556700000000, -0.0000475200000000, 0.0006961000000000 ] - [ 0.0005516000000000, -0.0001499100000000, -0.0009987100000000 ] - [ 0.0003696200000000, 0.0002864900000000, 0.0006218200000000 ] - [ 0.0003572300000000, 0.0003365600000000, -0.0009359600000000 ] - [ -0.0003783500000000, -0.0001452700000000, 0.0000196500000000 ] - [ -0.0010122300000000, 0.0006489000000000, -0.0001097500000000 ] - [ 0.0025661000000000, 0.0017300500000000, -0.0015712200000000 ] - [ 0.0002571000000000, 0.0003828400000000, 0.0000379900000000 ] - [ 0.0004424900000000, -0.0021816100000000, -0.0014142000000000 ] - [ -0.0000618700000000, -0.0002754000000000, 0.0003322300000000 ] - [ -0.0011514100000000, -0.0012796200000000, -0.0004013300000000 ] - [ 0.0002614500000000, -0.0005811000000000, -0.0000578000000000 ] - [ 0.0013471700000000, -0.0023942800000000, 0.0021413300000000 ] - [ -0.0002072300000000, -0.0000511900000000, 0.0001053700000000 ] - [ -0.0003320000000000, -0.0001890800000000, 0.0006383600000000 ] - [ -0.0003096600000000, -0.0001641200000000, 0.0006393400000000 ] - [ -0.0002956000000000, -0.0010749000000000, -0.0001347100000000 ] - [ -0.0005880400000000, -0.0004165700000000, -0.0003395900000000 ] - [ 0.0034212000000000, 0.0013694500000000, 0.0002048900000000 ] - [ 0.0003193400000000, 0.0002265700000000, 0.0000835100000000 ] - [ -0.0006064500000000, -0.0003423600000000, -0.0014217200000000 ] - [ -0.0007457900000000, -0.0003766300000000, 0.0018283600000000 ] - [ -0.0006125600000000, 0.0000621600000000, 0.0006377200000000 ] - [ -0.0000684000000000, -0.0000698700000000, 0.0006393000000000 ] - [ -0.0011865500000000, 0.0009798800000000, 0.0030786700000000 ] - [ 0.0002163900000000, -0.0003041400000000, -0.0002961000000000 ]- atom: 1 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0219619800000000, -0.0001351300000000, 0.0001405100000000 ] - [ 0.0001001500000000, -0.0000000500000000, 0.0001351400000000 ] - [ 0.0009683000000000, -0.0000071500000000, 0.0001385900000000 ] - [ 0.0009686400000000, 0.0000069200000000, 0.0001321100000000 ] - [ -0.0005973800000000, -0.0001145400000000, 0.0003623600000000 ] - [ -0.0005453500000000, -0.0001384500000000, -0.0001736500000000 ] - [ 0.0000454100000000, 0.0004824500000000, -0.0001891900000000 ] - [ 0.0000644200000000, 0.0004564000000000, 0.0001240300000000 ] - [ -0.0002092400000000, -0.0014984300000000, -0.0000185300000000 ] - [ 0.0001548400000000, -0.0000451500000000, 0.0000264900000000 ] - [ -0.0004572400000000, 0.0013577200000000, 0.0001234800000000 ] - [ -0.0000847600000000, -0.0001054300000000, 0.0000335600000000 ] - [ -0.0030627600000000, 0.0001602300000000, -0.0000146600000000 ] - [ -0.0001628600000000, 0.0001635400000000, 0.0000288100000000 ] - [ -0.0002647300000000, -0.0003678100000000, -0.0000843700000000 ] - [ -0.0002358400000000, -0.0003636500000000, 0.0001395800000000 ] - [ -0.0033583600000000, -0.0024730800000000, -0.0040435400000000 ] - [ -0.0002192600000000, -0.0002385300000000, 0.0008329800000000 ] - [ 0.0001646500000000, -0.0003007300000000, -0.0001329600000000 ] - [ 0.0038002900000000, -0.0033068200000000, 0.0021304500000000 ] - [ -0.0019283900000000, -0.0010365300000000, -0.0001393600000000 ] - [ -0.0000985100000000, 0.0000094700000000, -0.0001396300000000 ] - [ -0.0001771800000000, -0.0001355700000000, -0.0001400600000000 ] - [ -0.0011580400000000, -0.0005407000000000, -0.0001363500000000 ] - [ -0.0002491000000000, 0.0034505700000000, 0.0020448100000000 ] - [ 0.0001114300000000, -0.0000790100000000, -0.0006115800000000 ] - [ -0.0000928900000000, 0.0003643600000000, -0.0001104400000000 ] - [ -0.0026334100000000, 0.0071164100000000, 0.0051398000000000 ] - [ 0.0001092800000000, -0.0001542600000000, 0.0001519000000000 ] - [ -0.0077539700000000, -0.0036098900000000, -0.0073115200000000 ] - [ 0.0036248600000000, -0.0016248800000000, 0.0018943200000000 ] - [ 0.0003733600000000, 0.0001358000000000, -0.0003122500000000 ] - [ -0.0026335200000000, 0.0088889800000000, -0.0059786800000000 ] - [ 0.0003432800000000, 0.0003392500000000, 0.0000367400000000 ] - [ 0.0006322600000000, -0.0002678200000000, 0.0003030200000000 ] - [ 0.0039932000000000, -0.0025494800000000, -0.0023809100000000 ] - [ 0.0049574000000000, -0.0037295500000000, -0.0025387800000000 ] - [ 0.0000679000000000, 0.0000259800000000, 0.0001151300000000 ] - [ -0.0000080500000000, 0.0000417100000000, -0.0008908100000000 ] - [ -0.0033447600000000, -0.0030119100000000, 0.0044427800000000 ] - [ -0.0011399400000000, -0.0004993800000000, -0.0000224900000000 ] - [ -0.0002091800000000, -0.0002133700000000, -0.0000224500000000 ] - [ -0.0001070800000000, -0.0000382100000000, -0.0000228700000000 ] - [ -0.0017197300000000, -0.0009824900000000, -0.0000205500000000 ] - [ -0.0098457000000000, -0.0048799500000000, 0.0084398000000000 ] - [ -0.0002127500000000, -0.0004914300000000, -0.0001740800000000 ] - [ -0.0002819300000000, 0.0001143200000000, 0.0005666400000000 ] - [ -0.0009506000000000, 0.0032345800000000, -0.0020763300000000 ] - [ -0.0001263000000000, 0.0001721900000000, -0.0001962300000000 ] - [ 0.0009423100000000, -0.0011890200000000, 0.0025610500000000 ] - [ 0.0007384400000000, -0.0010927700000000, 0.0021539000000000 ] - [ 0.0000695400000000, -0.0003419000000000, 0.0000015600000000 ] - [ -0.0006779300000000, -0.0026287900000000, 0.0001098600000000 ] - [ -0.0002445900000000, 0.0001041600000000, -0.0000368000000000 ] - [ -0.0002714600000000, -0.0003530900000000, -0.0001103600000000 ] - [ -0.0025487800000000, -0.0013787400000000, 0.0002981100000000 ] - [ -0.0003715400000000, -0.0002682100000000, 0.0002440200000000 ] - [ -0.0024522100000000, -0.0011811800000000, -0.0007806300000000 ] - [ -0.0002767900000000, 0.0000986900000000, 0.0002508800000000 ] - [ 0.0003058300000000, 0.0006438600000000, -0.0022215100000000 ] - [ 0.0002260100000000, 0.0001490600000000, -0.0000591800000000 ] - [ -0.0019194100000000, 0.0024598700000000, 0.0020573200000000 ] - [ 0.0001823100000000, 0.0004921900000000, 0.0001122800000000 ] - [ 0.0018797500000000, 0.0015038600000000, -0.0002978800000000 ] - [ 0.0000590600000000, 0.0001608200000000, 0.0005109100000000 ] - [ -0.0000595000000000, 0.0017487800000000, -0.0012326300000000 ] - [ -0.0006815600000000, 0.0011417300000000, 0.0002863100000000 ] - [ -0.0003564800000000, 0.0001502600000000, -0.0001113600000000 ] - [ 0.0008354100000000, -0.0002065800000000, -0.0002724900000000 ] - [ 0.0002398400000000, 0.0005931500000000, -0.0001312500000000 ] - [ 0.0032937000000000, 0.0009775400000000, -0.0005843000000000 ] - [ 0.0003188800000000, 0.0001322700000000, -0.0000191900000000 ] - [ 0.0017916800000000, -0.0012696200000000, 0.0008369800000000 ] - [ 0.0002651700000000, 0.0001555900000000, -0.0001036100000000 ] - [ -0.0003822800000000, 0.0004638000000000, -0.0002818300000000 ] - [ 0.0015568900000000, 0.0014905400000000, 0.0007015700000000 ] - [ 0.0005602200000000, 0.0003308600000000, -0.0002579800000000 ] - [ 0.0004995200000000, 0.0009771400000000, -0.0005090300000000 ] - [ -0.0019874100000000, 0.0016880100000000, 0.0003644200000000 ] - [ -0.0001177100000000, -0.0002191100000000, -0.0000472800000000 ] - [ 0.0029476600000000, 0.0011433200000000, -0.0014398600000000 ] - [ 0.0002558800000000, -0.0002405100000000, -0.0001024300000000 ] - [ 0.0002944000000000, 0.0000820900000000, -0.0001982300000000 ] - [ -0.0000947800000000, 0.0011152900000000, 0.0000785400000000 ] - [ 0.0000093000000000, -0.0007107200000000, -0.0002637200000000 ] - [ 0.0012794500000000, -0.0016071800000000, -0.0009992900000000 ] - [ -0.0004689300000000, 0.0005927100000000, -0.0007637200000000 ] - [ -0.0004654100000000, 0.0006940600000000, 0.0009319500000000 ] - [ 0.0000696400000000, -0.0006360200000000, -0.0006975100000000 ] - [ 0.0000830300000000, -0.0006861100000000, 0.0008674700000000 ] - [ -0.0000613500000000, -0.0003473400000000, -0.0002306400000000 ] - [ 0.0005763900000000, -0.0011333400000000, -0.0001012500000000 ] - [ -0.0024495800000000, -0.0011199000000000, 0.0016287400000000 ] - [ -0.0001263100000000, 0.0002259700000000, 0.0000148900000000 ] - [ -0.0010589900000000, 0.0020056800000000, 0.0014685900000000 ] - [ -0.0005390200000000, 0.0000936000000000, -0.0002879400000000 ] - [ 0.0021994200000000, 0.0005279700000000, -0.0001304000000000 ] - [ 0.0007841900000000, -0.0001740900000000, -0.0004778000000000 ] - [ -0.0017505200000000, 0.0024155600000000, -0.0017908600000000 ] - [ -0.0002554300000000, 0.0000559500000000, 0.0002692400000000 ] - [ 0.0003364800000000, 0.0001925500000000, 0.0006385700000000 ] - [ 0.0003136600000000, 0.0001668700000000, 0.0006394800000000 ] - [ -0.0008888500000000, 0.0005497900000000, -0.0003987700000000 ] - [ -0.0005864600000000, -0.0001131000000000, -0.0001956000000000 ] - [ -0.0031758200000000, -0.0009930100000000, 0.0001469600000000 ] - [ -0.0000904500000000, 0.0001711500000000, 0.0002879900000000 ] - [ 0.0000838500000000, 0.0001451200000000, 0.0013585700000000 ] - [ 0.0002246900000000, 0.0001779200000000, -0.0019052700000000 ] - [ 0.0006078600000000, -0.0000621900000000, 0.0006383000000000 ] - [ 0.0000648000000000, 0.0000656000000000, 0.0006395400000000 ] - [ 0.0016496800000000, -0.0013951300000000, -0.0030047200000000 ] - [ 0.0002417900000000, -0.0001171900000000, 0.0003465200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0168642300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025342000000000 ] - [ -0.0001204500000000, -0.0002158500000000, 0.0004931600000000 ] - [ 0.0002165200000000, -0.0000384600000000, 0.0004840000000000 ] - [ 0.0002471600000000, 0.0000036100000000, 0.0004931600000000 ] - [ -0.0000749500000000, 0.0002067400000000, 0.0004840000000000 ] - [ 0.0002509200000000, 0.0000455400000000, -0.0016088400000000 ] - [ 0.0001700700000000, -0.0000200200000000, 0.0006616300000000 ] - [ -0.0000860200000000, -0.0002400700000000, -0.0016088400000000 ] - [ -0.0001023700000000, -0.0001372700000000, 0.0006616300000000 ] - [ -0.0001649000000000, 0.0001945300000000, -0.0016088400000000 ] - [ -0.0000677000000000, 0.0001572900000000, 0.0006616300000000 ] - [ -0.0001267000000000, 0.0002122400000000, 0.0004931600000000 ] - [ -0.0001415700000000, -0.0001682800000000, 0.0004840000000000 ] - [ 0.0030521000000000, 0.0004201300000000, 0.0015229700000000 ] - [ -0.0003693700000000, -0.0001111400000000, 0.0014583000000000 ] - [ -0.0000091000000000, -0.0000738600000000, 0.0014376000000000 ] - [ -0.0025149500000000, -0.0061743700000000, -0.0022365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007269800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027250200000000 ] - [ -0.0018898900000000, 0.0024331300000000, 0.0015229700000000 ] - [ 0.0002809400000000, -0.0002643100000000, 0.0014583000000000 ] - [ -0.0000594100000000, 0.0000448100000000, 0.0014376000000000 ] - [ -0.0040896800000000, 0.0052652000000000, -0.0022365700000000 ] - [ 0.0000685100000000, 0.0000290500000000, 0.0014376000000000 ] - [ 0.0066046300000000, 0.0009091700000000, -0.0022365700000000 ] - [ -0.0011622000000000, -0.0028532600000000, 0.0015229700000000 ] - [ 0.0000884300000000, 0.0003754500000000, 0.0014583000000000 ] - [ 0.0046653000000000, -0.0055646800000000, -0.0033588100000000 ] - [ 0.0001692700000000, 0.0002463200000000, 0.0016707700000000 ] - [ 0.0002047600000000, -0.0004121200000000, 0.0016578500000000 ] - [ 0.0012553500000000, 0.0030665200000000, 0.0020535300000000 ] - [ 0.0024865100000000, 0.0068226100000000, -0.0033588100000000 ] - [ -0.0002979500000000, 0.0000234300000000, 0.0016707700000000 ] - [ 0.0002545300000000, 0.0003833900000000, 0.0016578500000000 ] - [ -0.0032833600000000, -0.0004460900000000, 0.0020535300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029512000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010191000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002506100000000 ] - [ -0.0071518100000000, -0.0012579300000000, -0.0033588100000000 ] - [ 0.0001286800000000, -0.0002697500000000, 0.0016707700000000 ] - [ -0.0004592900000000, 0.0000287300000000, 0.0016578500000000 ] - [ 0.0020280100000000, -0.0026204300000000, 0.0020535300000000 ] - [ 0.0000546100000000, 0.0003159300000000, -0.0006785100000000 ] - [ -0.0021230900000000, 0.0008556600000000, -0.0006296600000000 ] - [ -0.0009299800000000, 0.0006156600000000, 0.0020375800000000 ] - [ 0.0001077900000000, -0.0004000200000000, -0.0005979600000000 ] - [ -0.0001006400000000, 0.0003731200000000, 0.0051022000000000 ] - [ -0.0002390800000000, 0.0001335100000000, -0.0014230000000000 ] - [ -0.0003251900000000, -0.0004144600000000, -0.0008260000000000 ] - [ -0.0003933000000000, 0.0008044600000000, 0.0014807200000000 ] - [ -0.0003009100000000, -0.0001106700000000, -0.0006785100000000 ] - [ 0.0003205200000000, -0.0022664800000000, -0.0006296600000000 ] - [ -0.0001963400000000, 0.0004888500000000, -0.0008260000000000 ] - [ 0.0008933300000000, -0.0000616200000000, 0.0014807200000000 ] - [ 0.0005215300000000, -0.0000743900000000, -0.0008260000000000 ] - [ -0.0005000300000000, -0.0007428400000000, 0.0014807200000000 ] - [ -0.0003501000000000, 0.0001146400000000, -0.0008049800000000 ] - [ 0.0008749300000000, 0.0008630400000000, 0.0004713500000000 ] - [ 0.0002463000000000, -0.0002052600000000, -0.0006785100000000 ] - [ 0.0018025700000000, 0.0014108200000000, -0.0006296600000000 ] - [ -0.0005797800000000, -0.0005110900000000, 0.0005949800000000 ] - [ -0.0003048300000000, -0.0000338500000000, -0.0007001600000000 ] - [ 0.0007915500000000, 0.0003093000000000, 0.0004068200000000 ] - [ -0.0002118200000000, 0.0007001900000000, -0.0009666500000000 ] - [ 0.0003734500000000, -0.0000994100000000, 0.0051022000000000 ] - [ 0.0002351600000000, 0.0001402900000000, -0.0014230000000000 ] - [ -0.0001527200000000, 0.0007576500000000, 0.0005949800000000 ] - [ 0.0001231000000000, 0.0002809200000000, -0.0007001600000000 ] - [ -0.0005979600000000, 0.0002795500000000, -0.0008533600000000 ] - [ -0.0008931100000000, 0.0003395900000000, 0.0003241900000000 ] - [ 0.0005410800000000, 0.0003780700000000, -0.0008533600000000 ] - [ 0.0007406500000000, 0.0006036600000000, 0.0003241900000000 ] - [ -0.0002728200000000, -0.0002737200000000, 0.0051022000000000 ] - [ 0.0000039100000000, -0.0002738000000000, -0.0014230000000000 ] - [ 0.0007325100000000, -0.0002465600000000, 0.0005949800000000 ] - [ 0.0001817300000000, -0.0002470600000000, -0.0007001600000000 ] - [ 0.0002743300000000, 0.0002458800000000, -0.0008049800000000 ] - [ 0.0003099500000000, -0.0011892300000000, 0.0004713500000000 ] - [ 0.0000568800000000, -0.0006576200000000, -0.0008533600000000 ] - [ 0.0001524600000000, -0.0009432500000000, 0.0003241900000000 ] - [ 0.0001895500000000, 0.0006800500000000, -0.0013187900000000 ] - [ -0.0001980000000000, -0.0001645800000000, -0.0013860300000000 ] - [ 0.0004941600000000, -0.0005041800000000, -0.0013187900000000 ] - [ -0.0000435300000000, 0.0002537600000000, -0.0013860300000000 ] - [ 0.0000757700000000, -0.0003605200000000, -0.0008049800000000 ] - [ -0.0011848800000000, 0.0003261900000000, 0.0004713500000000 ] - [ -0.0011275600000000, 0.0028061100000000, -0.0005104200000000 ] - [ 0.0004208500000000, 0.0002413300000000, -0.0009313000000000 ] - [ -0.0018663800000000, -0.0023795500000000, -0.0005104200000000 ] - [ -0.0004194200000000, 0.0002438000000000, -0.0009313000000000 ] - [ -0.0001279100000000, -0.0008401500000000, 0.0004068200000000 ] - [ 0.0007122900000000, -0.0001666500000000, -0.0009666500000000 ] - [ 0.0009981600000000, 0.0004975600000000, 0.0020375800000000 ] - [ -0.0004003300000000, 0.0001066700000000, -0.0005979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001544100000000 ] - [ -0.0006636400000000, 0.0005308500000000, 0.0004068200000000 ] - [ -0.0005004700000000, -0.0005335400000000, -0.0009666500000000 ] - [ -0.0000681800000000, -0.0011132100000000, 0.0020375800000000 ] - [ 0.0002925400000000, 0.0002933600000000, -0.0005979600000000 ] - [ -0.0006837100000000, -0.0001758700000000, -0.0013187900000000 ] - [ 0.0002415300000000, -0.0000891900000000, -0.0013860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034303300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008714000000000 ] - [ 0.0029939400000000, -0.0004265600000000, -0.0005104200000000 ] - [ -0.0000014300000000, -0.0004851300000000, -0.0009313000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0170950400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005375000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022634000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022405200000000 ] - [ 0.0002885200000000, -0.0000812500000000, -0.0004322000000000 ] - [ -0.0000489900000000, -0.0002578200000000, -0.0004262900000000 ] - [ -0.0000738900000000, 0.0002904900000000, -0.0004322000000000 ] - [ 0.0002477700000000, 0.0000864800000000, -0.0004262900000000 ] - [ 0.0000910600000000, -0.0000522000000000, 0.0016678600000000 ] - [ 0.0001733700000000, 0.0000151100000000, -0.0006026400000000 ] - [ -0.0000907400000000, -0.0000527600000000, 0.0016678600000000 ] - [ -0.0000736000000000, -0.0001577000000000, -0.0006026400000000 ] - [ -0.0000003200000000, 0.0001049600000000, 0.0016678600000000 ] - [ -0.0000997700000000, 0.0001425800000000, -0.0006026400000000 ] - [ -0.0002146200000000, -0.0002092400000000, -0.0004322000000000 ] - [ -0.0001987800000000, 0.0001713300000000, -0.0004262900000000 ] - [ -0.0035073600000000, -0.0004383700000000, -0.0015753800000000 ] - [ -0.0000626600000000, 0.0000858600000000, -0.0015186800000000 ] - [ -0.0001861700000000, -0.0003132700000000, -0.0015001300000000 ] - [ 0.0023216100000000, 0.0057664300000000, 0.0021460200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004901700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010099400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024435800000000 ] - [ 0.0021333200000000, -0.0028182800000000, -0.0015753800000000 ] - [ -0.0000430300000000, -0.0000971900000000, -0.0015186800000000 ] - [ -0.0001782100000000, 0.0003178600000000, -0.0015001300000000 ] - [ 0.0038330700000000, -0.0048937900000000, 0.0021460200000000 ] - [ 0.0003643800000000, -0.0000046000000000, -0.0015001300000000 ] - [ -0.0061546800000000, -0.0008726400000000, 0.0021460200000000 ] - [ 0.0013740400000000, 0.0032566500000000, -0.0015753800000000 ] - [ 0.0001056800000000, 0.0000113400000000, -0.0015186800000000 ] - [ -0.0041140200000000, 0.0057916800000000, 0.0033894400000000 ] - [ 0.0004083200000000, -0.0000276900000000, -0.0016855200000000 ] - [ 0.0002749000000000, 0.0000240400000000, -0.0016713200000000 ] - [ -0.0007537300000000, -0.0034446100000000, -0.0020790800000000 ] - [ -0.0029587300000000, -0.0064586800000000, 0.0033894400000000 ] - [ -0.0001801800000000, 0.0003674600000000, -0.0016855200000000 ] - [ -0.0001582800000000, 0.0002260500000000, -0.0016713200000000 ] - [ 0.0033599900000000, 0.0010695600000000, -0.0020790800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015914500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010557100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002954400000000 ] - [ 0.0070727500000000, 0.0006670100000000, 0.0033894400000000 ] - [ -0.0002281400000000, -0.0003397700000000, -0.0016855200000000 ] - [ -0.0001166300000000, -0.0002501000000000, -0.0016713200000000 ] - [ -0.0026062600000000, 0.0023750500000000, -0.0020790800000000 ] - [ -0.0002929100000000, 0.0000550100000000, 0.0010497900000000 ] - [ 0.0018697400000000, -0.0004803100000000, 0.0009976900000000 ] - [ 0.0011283700000000, -0.0009790700000000, -0.0017065800000000 ] - [ 0.0001303200000000, 0.0000289200000000, 0.0009682300000000 ] - [ -0.0003617000000000, -0.0000319400000000, -0.0052023200000000 ] - [ -0.0002164100000000, 0.0001995200000000, 0.0013284000000000 ] - [ 0.0002032900000000, -0.0001916100000000, 0.0008951200000000 ] - [ 0.0002977100000000, -0.0014627000000000, -0.0013584400000000 ] - [ 0.0000988100000000, -0.0002811700000000, 0.0010497900000000 ] - [ -0.0005189100000000, 0.0018594000000000, 0.0009976900000000 ] - [ -0.0002675800000000, -0.0000802400000000, 0.0008951200000000 ] - [ -0.0014155900000000, 0.0004735300000000, -0.0013584400000000 ] - [ 0.0000643000000000, 0.0002718600000000, 0.0008951200000000 ] - [ 0.0011178900000000, 0.0009891700000000, -0.0013584400000000 ] - [ 0.0001737900000000, 0.0005130100000000, 0.0006048900000000 ] - [ -0.0010497000000000, -0.0002375700000000, -0.0006675300000000 ] - [ 0.0001941000000000, 0.0002261600000000, 0.0010497900000000 ] - [ -0.0013508300000000, -0.0013790900000000, 0.0009976900000000 ] - [ -0.0000531600000000, 0.0006731300000000, -0.0008016300000000 ] - [ -0.0003292000000000, 0.0001938300000000, 0.0005004400000000 ] - [ -0.0006471700000000, 0.0009870500000000, -0.0009482700000000 ] - [ 0.0003556600000000, 0.0005947800000000, 0.0004307700000000 ] - [ 0.0001531900000000, 0.0003292100000000, -0.0052023200000000 ] - [ 0.0002810000000000, 0.0000876500000000, 0.0013284000000000 ] - [ 0.0006095200000000, -0.0002905200000000, -0.0008016300000000 ] - [ 0.0003324600000000, 0.0001881800000000, 0.0005004400000000 ] - [ -0.0004512200000000, 0.0004906700000000, 0.0003153300000000 ] - [ -0.0001545500000000, 0.0004301400000000, -0.0008563300000000 ] - [ 0.0006505500000000, 0.0001454300000000, 0.0003153300000000 ] - [ 0.0004497800000000, -0.0000812300000000, -0.0008563300000000 ] - [ 0.0002085100000000, -0.0002972700000000, -0.0052023200000000 ] - [ -0.0000645900000000, -0.0002871800000000, 0.0013284000000000 ] - [ -0.0005563600000000, -0.0003826000000000, -0.0008016300000000 ] - [ -0.0000032700000000, -0.0003820100000000, 0.0005004400000000 ] - [ 0.0003573900000000, -0.0004070100000000, 0.0006048900000000 ] - [ 0.0003191100000000, 0.0010278500000000, -0.0006675300000000 ] - [ -0.0001993200000000, -0.0006361100000000, 0.0003153300000000 ] - [ -0.0002952300000000, -0.0003489100000000, -0.0008563300000000 ] - [ -0.0001311500000000, -0.0001208200000000, 0.0012203200000000 ] - [ 0.0002564500000000, 0.0007232700000000, 0.0012958200000000 ] - [ -0.0000390600000000, 0.0001739900000000, 0.0012203200000000 ] - [ 0.0004981500000000, -0.0005837300000000, 0.0012958200000000 ] - [ -0.0005311700000000, -0.0001060000000000, 0.0006048900000000 ] - [ 0.0007305900000000, -0.0007902900000000, -0.0006675300000000 ] - [ 0.0012596000000000, -0.0022136300000000, 0.0005728500000000 ] - [ -0.0002982400000000, 0.0003652100000000, 0.0010008900000000 ] - [ 0.0012872600000000, 0.0021976600000000, 0.0005728500000000 ] - [ -0.0001671700000000, -0.0004408900000000, 0.0010008900000000 ] - [ 0.0011783900000000, 0.0000669400000000, -0.0009482700000000 ] - [ 0.0003372600000000, -0.0006054000000000, 0.0004307700000000 ] - [ -0.0014120900000000, -0.0004876600000000, -0.0017065800000000 ] - [ -0.0000401100000000, -0.0001273200000000, 0.0009682300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013690200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011248800000000 ] - [ -0.0005312200000000, -0.0010539900000000, -0.0009482700000000 ] - [ -0.0006929300000000, 0.0000106200000000, 0.0004307700000000 ] - [ 0.0002837200000000, 0.0014667300000000, -0.0017065800000000 ] - [ -0.0000902100000000, 0.0000984000000000, 0.0009682300000000 ] - [ 0.0001702100000000, -0.0000531700000000, 0.0012203200000000 ] - [ -0.0007546000000000, -0.0001395400000000, 0.0012958200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021555400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021447000000000 ] - [ -0.0025468600000000, 0.0000159800000000, 0.0005728500000000 ] - [ 0.0004654000000000, 0.0000756800000000, 0.0010008900000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0006799600000000, -0.0000353500000000, -0.0000680500000000 ] - [ 0.0006291800000000, -0.0000441400000000, 0.0002666300000000 ] - [ 0.0029665900000000, 0.0000044000000000, 0.0002169100000000 ] - [ 0.0000791700000000, -0.0000029900000000, 0.0001192600000000 ] - [ -0.0223425900000000, 0.0002831900000000, -0.0021128300000000 ] - [ 0.0000113500000000, -0.0001171300000000, 0.0000129500000000 ] - [ 0.0002387400000000, 0.0010681800000000, -0.0000297500000000 ] - [ 0.0000752100000000, 0.0001684300000000, 0.0000127700000000 ] - [ 0.0001945700000000, -0.0003113400000000, -0.0000251400000000 ] - [ 0.0001432600000000, -0.0002720400000000, 0.0000474300000000 ] - [ -0.0001490400000000, 0.0000969600000000, -0.0000590400000000 ] - [ -0.0001176100000000, 0.0001233600000000, 0.0002174500000000 ] - [ -0.0005927500000000, 0.0004052900000000, 0.0005307900000000 ] - [ -0.0005928900000000, 0.0003981400000000, -0.0005813800000000 ] - [ -0.0001133700000000, -0.0008583000000000, 0.0001095600000000 ] - [ -0.0001556500000000, -0.0000288200000000, 0.0000141600000000 ] - [ 0.0072353400000000, -0.0040297900000000, 0.0083777200000000 ] - [ -0.0002181400000000, -0.0000952000000000, -0.0002096200000000 ] - [ 0.0020631200000000, -0.0006977500000000, -0.0007500000000000 ] - [ 0.0001115000000000, -0.0002298200000000, 0.0000460300000000 ] - [ -0.0022372200000000, 0.0010266900000000, 0.0017743300000000 ] - [ -0.0001287400000000, -0.0001007700000000, -0.0001807200000000 ] - [ -0.0029908200000000, -0.0026334200000000, -0.0006962500000000 ] - [ -0.0000715800000000, 0.0000155000000000, 0.0002110500000000 ] - [ 0.0023032700000000, 0.0056536100000000, -0.0030021600000000 ] - [ 0.0000728700000000, -0.0000018200000000, 0.0000128300000000 ] - [ 0.0009173100000000, 0.0022867200000000, -0.0007060100000000 ] - [ -0.0001260500000000, 0.0002663900000000, 0.0003079300000000 ] - [ -0.0003504400000000, -0.0039785400000000, 0.0076514800000000 ] - [ 0.0002281600000000, -0.0002027900000000, -0.0008538000000000 ] - [ 0.0016913500000000, -0.0011711900000000, -0.0005903300000000 ] - [ 0.0002784300000000, 0.0000445700000000, 0.0000065600000000 ] - [ 0.0014818600000000, 0.0022190600000000, 0.0005579500000000 ] - [ 0.0003058100000000, 0.0002927700000000, -0.0003631300000000 ] - [ 0.0020147200000000, -0.0017367600000000, 0.0009172900000000 ] - [ 0.0004639300000000, -0.0004294800000000, -0.0001453800000000 ] - [ 0.0018276600000000, -0.0005108800000000, 0.0007753900000000 ] - [ 0.0000702600000000, 0.0001474000000000, -0.0002047900000000 ] - [ 0.0081965300000000, -0.0045387000000000, -0.0101224300000000 ] - [ 0.0000338300000000, 0.0002030400000000, 0.0000969300000000 ] - [ -0.0032526800000000, -0.0033215100000000, 0.0006431100000000 ] - [ -0.0000863600000000, -0.0000222100000000, -0.0004092800000000 ] - [ -0.0019977900000000, 0.0008707900000000, -0.0022082900000000 ] - [ -0.0001741500000000, -0.0001664000000000, -0.0000709900000000 ] - [ -0.0016582300000000, -0.0056072600000000, -0.0084238800000000 ] - [ -0.0000595900000000, -0.0005698300000000, 0.0007242100000000 ] - [ 0.0025378300000000, 0.0072640600000000, 0.0031077200000000 ] - [ -0.0003473100000000, 0.0001428200000000, -0.0001035100000000 ] - [ 0.0009463800000000, -0.0013266100000000, -0.0013657300000000 ] - [ -0.0001370200000000, 0.0000480700000000, 0.0003813600000000 ] - [ -0.0010193100000000, -0.0014905800000000, -0.0016050200000000 ] - [ 0.0000696600000000, -0.0002598400000000, 0.0004501200000000 ] - [ -0.0004835100000000, -0.0001800900000000, -0.0004539200000000 ] - [ -0.0004072900000000, -0.0001360300000000, 0.0002877300000000 ] - [ -0.0022851200000000, -0.0017066100000000, -0.0010451000000000 ] - [ -0.0001573600000000, -0.0003823900000000, 0.0001065400000000 ] - [ -0.0013447800000000, -0.0006416300000000, -0.0000501000000000 ] - [ -0.0002430100000000, -0.0001932300000000, 0.0001403000000000 ] - [ -0.0015490600000000, -0.0010474800000000, 0.0023474400000000 ] - [ -0.0002660500000000, 0.0002340700000000, -0.0001733500000000 ] - [ -0.0004769500000000, 0.0015535600000000, -0.0005620500000000 ] - [ 0.0000908600000000, 0.0003050500000000, 0.0003119800000000 ] - [ 0.0019171500000000, 0.0033408600000000, 0.0034061800000000 ] - [ -0.0000351300000000, 0.0003077700000000, -0.0001828600000000 ] - [ -0.0023116600000000, 0.0021697000000000, 0.0017507100000000 ] - [ 0.0001645200000000, 0.0000558200000000, 0.0001705700000000 ] - [ -0.0004653900000000, 0.0004068500000000, -0.0004118000000000 ] - [ -0.0003483700000000, 0.0001645800000000, -0.0000360600000000 ] - [ 0.0019446600000000, -0.0003038000000000, 0.0006000300000000 ] - [ 0.0002257900000000, 0.0005802200000000, -0.0001732400000000 ] - [ 0.0009045500000000, 0.0005488600000000, 0.0019141000000000 ] - [ 0.0006649900000000, 0.0004802400000000, -0.0014206200000000 ] - [ 0.0003428500000000, -0.0005262600000000, -0.0005274500000000 ] - [ 0.0003286900000000, 0.0001756500000000, -0.0000189100000000 ] - [ 0.0035213700000000, 0.0017065400000000, -0.0004168800000000 ] - [ -0.0002873700000000, 0.0005546800000000, -0.0000481600000000 ] - [ 0.0005294200000000, 0.0004090900000000, 0.0001270300000000 ] - [ 0.0005872200000000, 0.0003532800000000, -0.0002766800000000 ] - [ -0.0004479100000000, -0.0001034300000000, -0.0003398300000000 ] - [ -0.0004612600000000, -0.0001247600000000, 0.0003330500000000 ] - [ 0.0044722200000000, 0.0012140400000000, 0.0001683500000000 ] - [ 0.0003409100000000, -0.0001600300000000, -0.0002862900000000 ] - [ 0.0003440800000000, 0.0013948500000000, -0.0003383400000000 ] - [ 0.0002518100000000, 0.0000813000000000, -0.0001720300000000 ] - [ 0.0002096400000000, -0.0013816700000000, 0.0001621600000000 ] - [ 0.0000647000000000, -0.0006668000000000, -0.0003381600000000 ] - [ -0.0012723700000000, 0.0017352600000000, -0.0003233100000000 ] - [ -0.0000170700000000, 0.0003451700000000, 0.0000088300000000 ] - [ -0.0011101700000000, -0.0024987500000000, -0.0000152500000000 ] - [ 0.0002302400000000, -0.0002461100000000, -0.0000014700000000 ] - [ 0.0014931900000000, -0.0018933100000000, -0.0010212200000000 ] - [ -0.0000810800000000, -0.0003337000000000, -0.0001733000000000 ] - [ -0.0011249600000000, -0.0001316600000000, 0.0002101300000000 ] - [ -0.0000726400000000, 0.0002819300000000, 0.0001220600000000 ] - [ -0.0023334900000000, 0.0014056500000000, -0.0012604600000000 ] - [ -0.0003813400000000, -0.0000468600000000, 0.0000824800000000 ] - [ 0.0029560200000000, 0.0028856500000000, -0.0034706700000000 ] - [ 0.0005925000000000, -0.0003645900000000, -0.0001570800000000 ] - [ -0.0007565800000000, 0.0017436500000000, 0.0009518100000000 ] - [ -0.0003791000000000, 0.0001819100000000, -0.0000356200000000 ] - [ 0.0019725100000000, -0.0015902500000000, 0.0008500900000000 ] - [ 0.0000534300000000, 0.0000557200000000, 0.0006839700000000 ] - [ -0.0005406200000000, 0.0012254800000000, -0.0001636600000000 ] - [ -0.0006479100000000, -0.0001433000000000, -0.0001752100000000 ] - [ -0.0015505000000000, -0.0007757600000000, 0.0007973400000000 ] - [ -0.0000666600000000, 0.0001314600000000, 0.0001287100000000 ] - [ -0.0019428400000000, 0.0011497800000000, 0.0009806900000000 ] - [ -0.0002450600000000, -0.0000943000000000, -0.0000214800000000 ] - [ 0.0005843900000000, 0.0006135900000000, -0.0001465400000000 ] - [ 0.0005081300000000, 0.0004561500000000, 0.0012188400000000 ] - [ -0.0003506900000000, -0.0005096200000000, 0.0038298600000000 ] - [ 0.0001989900000000, -0.0003041800000000, -0.0001563200000000 ]- atom: 5 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0006795800000000, 0.0000354200000000, 0.0003409200000000 ] - [ -0.0006283000000000, 0.0000432300000000, 0.0000022500000000 ] - [ -0.0029767900000000, -0.0000057000000000, 0.0000526600000000 ] - [ -0.0000784500000000, 0.0000023900000000, 0.0001520600000000 ] - [ 0.0222779900000000, -0.0003628500000000, 0.0022625100000000 ] - [ 0.0001552000000000, -0.0001773700000000, 0.0000469400000000 ] - [ -0.0000706800000000, -0.0007712600000000, 0.0000895300000000 ] - [ 0.0000980000000000, 0.0001301800000000, 0.0000470400000000 ] - [ 0.0001358400000000, 0.0003050400000000, 0.0000846900000000 ] - [ 0.0001925000000000, 0.0002638700000000, 0.0000111300000000 ] - [ -0.0000258100000000, -0.0003969000000000, 0.0001191500000000 ] - [ -0.0000582900000000, -0.0004239300000000, -0.0001577700000000 ] - [ 0.0004224100000000, -0.0001074700000000, -0.0004730100000000 ] - [ 0.0004230800000000, -0.0001012800000000, 0.0006430800000000 ] - [ -0.0002138000000000, 0.0008626900000000, -0.0000506000000000 ] - [ -0.0001788500000000, 0.0000366600000000, 0.0000448300000000 ] - [ -0.0076002700000000, 0.0039547700000000, -0.0083623400000000 ] - [ -0.0002128200000000, 0.0000673100000000, 0.0001485900000000 ] - [ -0.0022562100000000, 0.0002995700000000, 0.0006872100000000 ] - [ -0.0003073100000000, -0.0001595300000000, -0.0001041400000000 ] - [ 0.0022092000000000, -0.0010499700000000, -0.0020683100000000 ] - [ 0.0001208200000000, 0.0001026800000000, -0.0000983300000000 ] - [ 0.0029921100000000, 0.0026395200000000, 0.0004224800000000 ] - [ 0.0000781100000000, -0.0000186800000000, -0.0004884600000000 ] - [ -0.0020673600000000, -0.0060366300000000, 0.0029678400000000 ] - [ 0.0001676600000000, -0.0003589800000000, -0.0000728000000000 ] - [ -0.0011573700000000, -0.0019144400000000, 0.0006381300000000 ] - [ -0.0001154100000000, 0.0000944800000000, -0.0003667100000000 ] - [ 0.0008167000000000, 0.0040100400000000, -0.0077427300000000 ] - [ 0.0002027300000000, 0.0002276900000000, 0.0007922200000000 ] - [ -0.0014969000000000, 0.0015655000000000, 0.0005371300000000 ] - [ -0.0000829400000000, 0.0003445700000000, -0.0000671900000000 ] - [ -0.0009046700000000, -0.0019907400000000, -0.0005646100000000 ] - [ 0.0002728400000000, -0.0000772900000000, 0.0003462700000000 ] - [ -0.0015438400000000, 0.0013585700000000, -0.0009403000000000 ] - [ 0.0000118300000000, 0.0000478000000000, 0.0001330200000000 ] - [ -0.0023015400000000, 0.0008839100000000, -0.0007831300000000 ] - [ -0.0005442300000000, 0.0002344900000000, 0.0001900800000000 ] - [ -0.0080287700000000, 0.0050958300000000, 0.0100249100000000 ] - [ 0.0000590400000000, 0.0004081800000000, -0.0001104500000000 ] - [ 0.0032588700000000, 0.0033372800000000, -0.0006931700000000 ] - [ 0.0000919100000000, 0.0000221100000000, 0.0003645700000000 ] - [ 0.0019669200000000, -0.0009026000000000, 0.0021802400000000 ] - [ 0.0001687300000000, 0.0001666500000000, 0.0000287400000000 ] - [ 0.0016115900000000, 0.0050124400000000, 0.0084421700000000 ] - [ -0.0000329600000000, -0.0000428100000000, -0.0007353900000000 ] - [ -0.0031196800000000, -0.0074922700000000, -0.0031558800000000 ] - [ -0.0002288800000000, -0.0003565600000000, 0.0000893700000000 ] - [ -0.0013608000000000, 0.0016654000000000, 0.0016010400000000 ] - [ -0.0000904600000000, 0.0003494800000000, -0.0000079700000000 ] - [ 0.0012449500000000, 0.0010913000000000, 0.0019637800000000 ] - [ 0.0001593900000000, -0.0001351800000000, -0.0000773000000000 ] - [ 0.0000498800000000, 0.0005313000000000, 0.0003791200000000 ] - [ -0.0000298400000000, 0.0004848000000000, -0.0003571200000000 ] - [ 0.0021521000000000, 0.0010966200000000, 0.0011027800000000 ] - [ 0.0000266500000000, -0.0002259700000000, -0.0000508100000000 ] - [ 0.0011169500000000, 0.0002416900000000, 0.0004230400000000 ] - [ 0.0000185900000000, -0.0002049600000000, 0.0002264000000000 ] - [ 0.0010882000000000, 0.0014665700000000, -0.0022796800000000 ] - [ -0.0001910600000000, 0.0001883500000000, 0.0002232800000000 ] - [ 0.0010699700000000, -0.0013711600000000, 0.0006205900000000 ] - [ 0.0005070400000000, -0.0001234500000000, -0.0002654100000000 ] - [ -0.0020756400000000, -0.0027165100000000, -0.0036180900000000 ] - [ -0.0001705700000000, 0.0003134400000000, -0.0000292600000000 ] - [ 0.0027693100000000, -0.0021654800000000, -0.0013685800000000 ] - [ 0.0003002700000000, -0.0000620800000000, 0.0002039000000000 ] - [ -0.0001739400000000, -0.0002624600000000, 0.0001998300000000 ] - [ -0.0002893800000000, -0.0000299600000000, -0.0001776200000000 ] - [ -0.0018228500000000, 0.0015861000000000, -0.0011362700000000 ] - [ -0.0000994800000000, 0.0007024400000000, -0.0003634700000000 ] - [ -0.0003902900000000, -0.0003515700000000, -0.0019874300000000 ] - [ -0.0001472900000000, -0.0002843300000000, 0.0013503100000000 ] - [ 0.0001071900000000, 0.0010095500000000, 0.0003164900000000 ] - [ 0.0001132100000000, 0.0003113400000000, -0.0001913800000000 ] - [ -0.0045707300000000, -0.0009417700000000, -0.0001308300000000 ] - [ -0.0007596200000000, 0.0002059000000000, -0.0004851900000000 ] - [ 0.0006444000000000, 0.0001317100000000, -0.0006643600000000 ] - [ 0.0005913400000000, 0.0001762800000000, -0.0002585100000000 ] - [ 0.0003652300000000, -0.0004400500000000, 0.0002662100000000 ] - [ 0.0003760100000000, -0.0004179900000000, -0.0004025000000000 ] - [ -0.0042801800000000, -0.0018345600000000, -0.0003677600000000 ] - [ -0.0001360000000000, -0.0004596300000000, 0.0000729900000000 ] - [ 0.0002917900000000, -0.0015347600000000, 0.0001284300000000 ] - [ 0.0003889400000000, -0.0002137800000000, -0.0000418700000000 ] - [ -0.0003253600000000, 0.0000964300000000, -0.0006990500000000 ] - [ -0.0001883000000000, -0.0006129400000000, -0.0001997400000000 ] - [ 0.0013636900000000, -0.0012023100000000, 0.0002570100000000 ] - [ 0.0001025300000000, 0.0001981200000000, -0.0000790100000000 ] - [ 0.0015514100000000, 0.0021617100000000, -0.0000546400000000 ] - [ 0.0002063800000000, -0.0001048500000000, -0.0000730000000000 ] - [ -0.0019399300000000, 0.0014026700000000, 0.0008100700000000 ] - [ -0.0003624100000000, -0.0001539400000000, -0.0000369300000000 ] - [ 0.0012555300000000, 0.0007374900000000, -0.0001559800000000 ] - [ 0.0002037200000000, 0.0003263800000000, -0.0000691000000000 ] - [ 0.0017326500000000, -0.0015829300000000, 0.0013092200000000 ] - [ -0.0002181300000000, -0.0001351900000000, -0.0000369800000000 ] - [ -0.0018731600000000, -0.0036460600000000, 0.0029411500000000 ] - [ 0.0004533900000000, -0.0003918700000000, -0.0003774400000000 ] - [ 0.0002871400000000, -0.0017433600000000, -0.0005855000000000 ] - [ -0.0000847300000000, -0.0001771000000000, 0.0004098500000000 ] - [ -0.0019504600000000, 0.0016185400000000, 0.0004240500000000 ] - [ -0.0000495500000000, -0.0000509500000000, 0.0005951200000000 ] - [ -0.0006422000000000, -0.0017597600000000, -0.0003727000000000 ] - [ -0.0005268200000000, -0.0003872300000000, -0.0003601600000000 ] - [ 0.0017793700000000, 0.0011759300000000, -0.0004295200000000 ] - [ 0.0002949400000000, 0.0002665400000000, 0.0002424800000000 ] - [ 0.0017421300000000, -0.0013797400000000, -0.0010588800000000 ] - [ -0.0002759100000000, -0.0001058400000000, -0.0000494600000000 ] - [ -0.0005891500000000, -0.0006198100000000, 0.0014242300000000 ] - [ -0.0005117200000000, -0.0004612900000000, 0.0000610500000000 ] - [ 0.0006915500000000, 0.0000672000000000, -0.0037143000000000 ] - [ 0.0002577400000000, -0.0001180000000000, 0.0002069400000000 ]- atom: 5 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0003654100000000, -0.0000979700000000, 0.0001790700000000 ] - [ -0.0003219700000000, -0.0001064400000000, 0.0001650100000000 ] - [ -0.0014942400000000, -0.0004365500000000, 0.0000549000000000 ] - [ -0.0000521700000000, -0.0000154300000000, 0.0001379000000000 ] - [ 0.0113822400000000, -0.0107709000000000, 0.0001040400000000 ] - [ 0.0001460900000000, -0.0002272800000000, 0.0000309300000000 ] - [ 0.0009883700000000, 0.0007309600000000, 0.0001254500000000 ] - [ 0.0001283900000000, 0.0001867700000000, 0.0000297800000000 ] - [ -0.0001526800000000, 0.0004366600000000, 0.0001321100000000 ] - [ -0.0001361900000000, 0.0003823700000000, -0.0001264200000000 ] - [ 0.0002396700000000, 0.0000095900000000, -0.0000576400000000 ] - [ 0.0002003500000000, 0.0000520800000000, 0.0000370600000000 ] - [ 0.0003852600000000, -0.0007386100000000, -0.0002951000000000 ] - [ 0.0003923600000000, -0.0007352700000000, 0.0004061600000000 ] - [ -0.0011187200000000, 0.0015649900000000, 0.0000617300000000 ] - [ -0.0002178600000000, 0.0000472800000000, 0.0000287700000000 ] - [ -0.0077065600000000, -0.0004787300000000, -0.0051293300000000 ] - [ -0.0003217400000000, -0.0000735300000000, 0.0000742000000000 ] - [ -0.0011089500000000, 0.0019809800000000, 0.0003503900000000 ] - [ -0.0002269000000000, -0.0000575400000000, -0.0000982000000000 ] - [ 0.0026666100000000, 0.0051803600000000, 0.0051635100000000 ] - [ 0.0000811800000000, 0.0001166500000000, -0.0002759500000000 ] - [ 0.0010015400000000, 0.0042787100000000, 0.0026844800000000 ] - [ 0.0000394000000000, -0.0000097800000000, -0.0011212100000000 ] - [ 0.0028113300000000, -0.0023226300000000, -0.0008772800000000 ] - [ 0.0002319000000000, -0.0003934300000000, -0.0000273100000000 ] - [ 0.0006899100000000, -0.0016869300000000, -0.0001390800000000 ] - [ -0.0000499500000000, 0.0000841300000000, -0.0000840300000000 ] - [ -0.0031504200000000, -0.0020140600000000, -0.0060252100000000 ] - [ 0.0001272500000000, 0.0000669600000000, 0.0007127300000000 ] - [ -0.0015241600000000, 0.0021850600000000, 0.0009470700000000 ] - [ -0.0000283400000000, 0.0004556900000000, -0.0000998100000000 ] - [ 0.0010607700000000, -0.0016961500000000, 0.0002386200000000 ] - [ 0.0003591200000000, -0.0001020300000000, 0.0000029300000000 ] - [ -0.0015466200000000, 0.0019629800000000, -0.0014305000000000 ] - [ 0.0000821700000000, 0.0001979600000000, 0.0000794000000000 ] - [ -0.0012380200000000, 0.0024995300000000, -0.0003542000000000 ] - [ -0.0003690600000000, 0.0003915400000000, 0.0000976800000000 ] - [ -0.0088162400000000, -0.0000257300000000, 0.0055798800000000 ] - [ -0.0001046000000000, 0.0002285900000000, -0.0001109200000000 ] - [ 0.0012643200000000, 0.0055031400000000, -0.0031968900000000 ] - [ 0.0000342800000000, 0.0000252900000000, 0.0009468700000000 ] - [ 0.0028134500000000, 0.0057930600000000, -0.0063249500000000 ] - [ 0.0001178200000000, 0.0001823100000000, 0.0001053800000000 ] - [ -0.0040581200000000, -0.0021147700000000, 0.0062700500000000 ] - [ -0.0001600500000000, -0.0002707400000000, -0.0006548100000000 ] - [ 0.0022488800000000, -0.0025776700000000, 0.0007734200000000 ] - [ -0.0001332600000000, -0.0004130600000000, -0.0000136100000000 ] - [ -0.0008763800000000, 0.0043913200000000, 0.0000344500000000 ] - [ -0.0001001700000000, 0.0003988500000000, 0.0000215100000000 ] - [ 0.0006493600000000, 0.0015637600000000, 0.0011715200000000 ] - [ 0.0001414300000000, -0.0000390000000000, 0.0000752200000000 ] - [ -0.0003487600000000, 0.0003673100000000, -0.0000945500000000 ] - [ -0.0003527300000000, 0.0003894700000000, 0.0000446700000000 ] - [ 0.0001756100000000, -0.0000932500000000, 0.0000507000000000 ] - [ -0.0000572000000000, -0.0002474700000000, 0.0000164600000000 ] - [ 0.0005144900000000, -0.0000881000000000, 0.0004340000000000 ] - [ -0.0000655200000000, -0.0002512400000000, 0.0001803900000000 ] - [ 0.0007344100000000, 0.0022773600000000, -0.0014530100000000 ] - [ -0.0001825900000000, 0.0003071400000000, 0.0000994600000000 ] - [ 0.0015770000000000, -0.0005324300000000, 0.0005125700000000 ] - [ 0.0004927800000000, -0.0001046500000000, -0.0002366200000000 ] - [ 0.0013962500000000, -0.0005237200000000, -0.0042930800000000 ] - [ -0.0000435400000000, 0.0004659100000000, 0.0001173600000000 ] - [ 0.0025318600000000, -0.0015784500000000, -0.0005887800000000 ] - [ 0.0003173500000000, -0.0000396000000000, 0.0002032900000000 ] - [ 0.0001882900000000, -0.0019991100000000, -0.0010071400000000 ] - [ -0.0002819500000000, -0.0001240000000000, -0.0000881600000000 ] - [ -0.0016794600000000, -0.0001716500000000, 0.0006102400000000 ] - [ -0.0001669800000000, 0.0006787800000000, -0.0004941000000000 ] - [ 0.0005514800000000, 0.0007855100000000, -0.0014805600000000 ] - [ 0.0004693400000000, 0.0005984000000000, 0.0008868100000000 ] - [ -0.0015106200000000, 0.0002937000000000, -0.0010213100000000 ] - [ 0.0000930000000000, 0.0002674000000000, -0.0000610100000000 ] - [ -0.0019024300000000, 0.0009601400000000, 0.0028969300000000 ] - [ -0.0006472600000000, 0.0003115500000000, -0.0005150000000000 ] - [ 0.0012887300000000, -0.0020558000000000, 0.0009150600000000 ] - [ 0.0006175100000000, 0.0001076800000000, -0.0002989300000000 ] - [ 0.0002995400000000, -0.0007193000000000, 0.0000634700000000 ] - [ 0.0002626000000000, -0.0006992700000000, -0.0001827500000000 ] - [ -0.0006122200000000, 0.0011585100000000, -0.0030072100000000 ] - [ 0.0000238800000000, -0.0003141900000000, 0.0001141400000000 ] - [ 0.0008335200000000, -0.0023161700000000, 0.0001320400000000 ] - [ 0.0004426600000000, -0.0003623100000000, 0.0001062600000000 ] - [ -0.0022176700000000, -0.0008325000000000, 0.0009054300000000 ] - [ -0.0001878500000000, -0.0006548400000000, -0.0002926600000000 ] - [ 0.0020144100000000, -0.0012256400000000, 0.0002593400000000 ] - [ 0.0000964700000000, 0.0001553400000000, -0.0000398600000000 ] - [ -0.0006836900000000, 0.0001425900000000, -0.0001376000000000 ] - [ 0.0001651100000000, -0.0001078100000000, -0.0000326900000000 ] - [ -0.0021369800000000, -0.0004959200000000, -0.0008122600000000 ] - [ -0.0004720000000000, -0.0001589600000000, 0.0001227300000000 ] - [ 0.0004978700000000, 0.0004395200000000, -0.0001209900000000 ] - [ 0.0001010500000000, 0.0002935700000000, 0.0000375000000000 ] - [ 0.0015196700000000, -0.0013676000000000, 0.0008408300000000 ] - [ -0.0002196100000000, -0.0001403600000000, 0.0000106400000000 ] - [ 0.0010949200000000, -0.0022602300000000, 0.0042509300000000 ] - [ 0.0005481100000000, -0.0002512600000000, -0.0004909300000000 ] - [ 0.0011598700000000, -0.0006676700000000, -0.0003885600000000 ] - [ -0.0000832200000000, -0.0001141800000000, 0.0003989500000000 ] - [ -0.0024366100000000, -0.0044733100000000, 0.0014817600000000 ] - [ -0.0000318200000000, -0.0000505000000000, 0.0006200900000000 ] - [ 0.0000158800000000, -0.0027514000000000, -0.0003873500000000 ] - [ -0.0004577200000000, -0.0005123100000000, -0.0004785100000000 ] - [ 0.0003355300000000, 0.0002813900000000, 0.0001698100000000 ] - [ 0.0001511900000000, 0.0002077400000000, 0.0001723800000000 ] - [ 0.0015559400000000, 0.0020996900000000, -0.0004757100000000 ] - [ -0.0002311900000000, -0.0000471200000000, -0.0000168200000000 ] - [ -0.0003526900000000, -0.0008364000000000, 0.0024733600000000 ] - [ -0.0002601800000000, -0.0005824000000000, -0.0006872600000000 ] - [ 0.0003864500000000, 0.0037170400000000, -0.0005305500000000 ] - [ 0.0002650000000000, -0.0000479400000000, 0.0002065800000000 ]- atom: 5 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0003666800000000, 0.0000978000000000, 0.0000915600000000 ] - [ 0.0003237300000000, 0.0001050600000000, 0.0001060700000000 ] - [ 0.0014955000000000, 0.0004323300000000, 0.0002156500000000 ] - [ 0.0000529600000000, 0.0000147600000000, 0.0001334600000000 ] - [ -0.0114767800000000, 0.0104470600000000, -0.0000579800000000 ] - [ 0.0000203800000000, -0.0000663900000000, 0.0000290200000000 ] - [ -0.0008176500000000, -0.0004349900000000, -0.0000655000000000 ] - [ 0.0000457700000000, 0.0001116700000000, 0.0000300600000000 ] - [ 0.0004850200000000, -0.0004444200000000, -0.0000710200000000 ] - [ 0.0004712100000000, -0.0003903800000000, 0.0001833900000000 ] - [ -0.0004164400000000, -0.0003103000000000, 0.0001184100000000 ] - [ -0.0003772300000000, -0.0003522300000000, 0.0000221500000000 ] - [ -0.0005540000000000, 0.0010370500000000, 0.0003541900000000 ] - [ -0.0005611200000000, 0.0010341400000000, -0.0003453600000000 ] - [ 0.0007908900000000, -0.0015536900000000, -0.0000026400000000 ] - [ -0.0001134100000000, -0.0000397700000000, 0.0000304400000000 ] - [ 0.0073156600000000, 0.0004795900000000, 0.0050929900000000 ] - [ -0.0001085300000000, 0.0000458500000000, -0.0001349900000000 ] - [ 0.0009205000000000, -0.0023685200000000, -0.0004126000000000 ] - [ 0.0000318800000000, -0.0003316400000000, 0.0000403900000000 ] - [ -0.0026493200000000, -0.0051686900000000, -0.0053979100000000 ] - [ -0.0000886700000000, -0.0001148300000000, -0.0000040600000000 ] - [ -0.0010014900000000, -0.0042880200000000, -0.0029884200000000 ] - [ -0.0000332900000000, 0.0000062600000000, 0.0008476900000000 ] - [ -0.0025691500000000, 0.0019954800000000, 0.0008067600000000 ] - [ 0.0000083100000000, 0.0000328000000000, -0.0000324600000000 ] - [ -0.0009320500000000, 0.0020459700000000, 0.0000763400000000 ] - [ -0.0001914300000000, 0.0002764400000000, 0.0000240300000000 ] - [ 0.0035968400000000, 0.0019986200000000, 0.0059505300000000 ] - [ 0.0003039000000000, -0.0000426400000000, -0.0007758900000000 ] - [ 0.0017124400000000, -0.0018022200000000, -0.0009935700000000 ] - [ 0.0002236800000000, -0.0000671600000000, 0.0000391600000000 ] - [ -0.0004877600000000, 0.0019088900000000, -0.0002499200000000 ] - [ 0.0002193900000000, 0.0003171300000000, -0.0000193700000000 ] - [ 0.0020094700000000, -0.0023508800000000, 0.0013995000000000 ] - [ 0.0003936000000000, -0.0005806300000000, -0.0000919800000000 ] - [ 0.0007700900000000, -0.0021153700000000, 0.0003462100000000 ] - [ -0.0001039800000000, -0.0000094400000000, -0.0001127300000000 ] - [ 0.0089597400000000, 0.0006655400000000, -0.0056148300000000 ] - [ 0.0001987000000000, 0.0003834200000000, 0.0000974400000000 ] - [ -0.0012615000000000, -0.0055102300000000, 0.0031799200000000 ] - [ -0.0000291700000000, -0.0000253500000000, -0.0009940400000000 ] - [ -0.0028000700000000, -0.0057882400000000, 0.0062269100000000 ] - [ -0.0001226600000000, -0.0001826100000000, -0.0001473200000000 ] - [ 0.0039799600000000, 0.0014622200000000, -0.0062746900000000 ] - [ 0.0000678000000000, -0.0003428600000000, 0.0006451800000000 ] - [ -0.0028227900000000, 0.0024101900000000, -0.0007794900000000 ] - [ -0.0004434200000000, 0.0001998900000000, -0.0000004800000000 ] - [ 0.0006317900000000, -0.0039996300000000, 0.0003233900000000 ] - [ -0.0001279300000000, -0.0000031600000000, 0.0003515100000000 ] - [ -0.0004167800000000, -0.0019588000000000, -0.0008008400000000 ] - [ 0.0000881200000000, -0.0003545000000000, 0.0002959900000000 ] - [ -0.0000851000000000, -0.0000138300000000, 0.0000204900000000 ] - [ -0.0000852500000000, -0.0000396900000000, -0.0001149800000000 ] - [ -0.0003129500000000, -0.0005238500000000, 0.0000012900000000 ] - [ -0.0000734300000000, -0.0003610600000000, 0.0000399300000000 ] - [ -0.0007351400000000, -0.0003062500000000, -0.0000608100000000 ] - [ -0.0001573800000000, -0.0001467200000000, 0.0001859700000000 ] - [ -0.0011922800000000, -0.0018607000000000, 0.0015076400000000 ] - [ -0.0002749300000000, 0.0001142800000000, -0.0000474500000000 ] - [ -0.0009825200000000, 0.0007247300000000, -0.0004518100000000 ] - [ 0.0001050600000000, 0.0002871900000000, 0.0002845500000000 ] - [ -0.0015689900000000, 0.0011023000000000, 0.0040694000000000 ] - [ -0.0001595500000000, 0.0001540100000000, -0.0003298000000000 ] - [ -0.0020747200000000, 0.0015721000000000, 0.0009624200000000 ] - [ 0.0001462700000000, 0.0000341100000000, 0.0001704600000000 ] - [ -0.0008269900000000, 0.0021344400000000, 0.0007881300000000 ] - [ -0.0003546600000000, 0.0002597200000000, -0.0001247500000000 ] - [ 0.0018196400000000, 0.0014528100000000, -0.0011529500000000 ] - [ 0.0002942300000000, 0.0006040700000000, -0.0000415900000000 ] - [ -0.0000310200000000, -0.0005811200000000, 0.0014155500000000 ] - [ 0.0000516800000000, -0.0003975700000000, -0.0009627900000000 ] - [ 0.0019543700000000, 0.0001947500000000, 0.0008075300000000 ] - [ 0.0003494300000000, 0.0002181300000000, -0.0001488900000000 ] - [ 0.0008478200000000, -0.0001492400000000, -0.0034626900000000 ] - [ -0.0003994600000000, 0.0004501100000000, -0.0000174400000000 ] - [ -0.0001140900000000, 0.0025862200000000, -0.0014427700000000 ] - [ 0.0005617000000000, 0.0004221100000000, -0.0002359000000000 ] - [ -0.0003838000000000, 0.0001736800000000, -0.0001373600000000 ] - [ -0.0003476200000000, 0.0001540500000000, 0.0001132200000000 ] - [ 0.0008026600000000, -0.0017266300000000, 0.0028403100000000 ] - [ 0.0001795000000000, -0.0003046100000000, -0.0003271800000000 ] - [ -0.0001979200000000, 0.0021805800000000, -0.0003369000000000 ] - [ 0.0001970500000000, 0.0002293400000000, -0.0003206700000000 ] - [ 0.0020901300000000, -0.0004488600000000, -0.0014348900000000 ] - [ 0.0000640000000000, -0.0006254000000000, -0.0002444400000000 ] - [ -0.0019101800000000, 0.0017631000000000, -0.0003242400000000 ] - [ -0.0000122000000000, 0.0003886500000000, -0.0000307700000000 ] - [ 0.0011192600000000, -0.0005055600000000, 0.0000654100000000 ] - [ 0.0002728000000000, -0.0002426700000000, -0.0000421700000000 ] - [ 0.0017108100000000, -0.0000020000000000, 0.0006058400000000 ] - [ 0.0000293200000000, -0.0003275500000000, -0.0003333800000000 ] - [ -0.0003627600000000, 0.0001724700000000, 0.0001755900000000 ] - [ 0.0000303400000000, 0.0003147600000000, 0.0000159600000000 ] - [ -0.0021215300000000, 0.0011810300000000, -0.0007866000000000 ] - [ -0.0003801000000000, -0.0000415900000000, 0.0000346400000000 ] - [ -0.0000216200000000, 0.0014609800000000, -0.0047755300000000 ] - [ 0.0004981200000000, -0.0005063400000000, -0.0000424400000000 ] - [ -0.0016272400000000, 0.0006804100000000, 0.0007545000000000 ] - [ -0.0003796200000000, 0.0001183200000000, -0.0000256100000000 ] - [ 0.0024155100000000, 0.0044896500000000, -0.0002018200000000 ] - [ 0.0000358800000000, 0.0000552700000000, 0.0006582000000000 ] - [ -0.0011994700000000, 0.0022240400000000, -0.0001534300000000 ] - [ -0.0007178900000000, -0.0000179700000000, -0.0000555800000000 ] - [ -0.0001126600000000, 0.0001114000000000, 0.0002013300000000 ] - [ 0.0000761300000000, 0.0001898000000000, 0.0001981200000000 ] - [ -0.0019822400000000, -0.0023325100000000, 0.0003996800000000 ] - [ -0.0002896600000000, -0.0001543700000000, -0.0000545800000000 ] - [ 0.0003493400000000, 0.0008317600000000, -0.0012036500000000 ] - [ 0.0002576100000000, 0.0005775100000000, 0.0019697900000000 ] - [ 0.0000469200000000, -0.0041282600000000, 0.0006050000000000 ] - [ 0.0001920100000000, -0.0003741200000000, -0.0001553200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003337100000000, -0.0000606100000000, 0.0005967700000000 ] - [ 0.0002048100000000, -0.0000098300000000, 0.0005904000000000 ] - [ -0.0000440100000000, -0.0000816800000000, -0.0015033700000000 ] - [ -0.0000007100000000, -0.0000039600000000, 0.0007663900000000 ] - [ -0.0019819300000000, -0.0014103600000000, -0.0199659600000000 ] - [ 0.0000672100000000, -0.0001596100000000, 0.0008028400000000 ] - [ -0.0000241100000000, 0.0001785100000000, -0.0014721800000000 ] - [ 0.0001067500000000, 0.0001445800000000, 0.0006905000000000 ] - [ 0.0001618200000000, 0.0002170300000000, 0.0005319900000000 ] - [ 0.0002569200000000, -0.0001580900000000, 0.0004767200000000 ] - [ -0.0002263900000000, -0.0002523000000000, 0.0004767500000000 ] - [ -0.0000430700000000, -0.0000609300000000, 0.0005326300000000 ] - [ 0.0005295600000000, 0.0000692100000000, 0.0016827200000000 ] - [ -0.0005840400000000, 0.0002358900000000, 0.0016731100000000 ] - [ -0.0000744100000000, 0.0000181800000000, -0.0014721500000000 ] - [ -0.0001704600000000, 0.0000248600000000, 0.0006901000000000 ] - [ 0.0074803100000000, -0.0004022900000000, -0.0029089800000000 ] - [ -0.0003489800000000, -0.0001302300000000, 0.0014708200000000 ] - [ 0.0001818300000000, -0.0003820500000000, 0.0001987300000000 ] - [ -0.0000915500000000, -0.0001833100000000, 0.0009719100000000 ] - [ 0.0021774900000000, 0.0071891600000000, -0.0038535800000000 ] - [ -0.0001237200000000, -0.0002464400000000, 0.0014648100000000 ] - [ 0.0003114100000000, 0.0040560200000000, 0.0015918500000000 ] - [ 0.0000427100000000, -0.0001164600000000, 0.0015344800000000 ] - [ -0.0032638000000000, -0.0045665700000000, -0.0028300500000000 ] - [ 0.0003444000000000, 0.0000559000000000, 0.0014684800000000 ] - [ -0.0013348000000000, -0.0003372100000000, 0.0000609300000000 ] - [ -0.0000898900000000, 0.0002179700000000, 0.0010567200000000 ] - [ 0.0077371600000000, -0.0024767100000000, 0.0081022100000000 ] - [ -0.0000129100000000, 0.0003896400000000, 0.0023852900000000 ] - [ -0.0005227000000000, 0.0004459200000000, -0.0031254600000000 ] - [ 0.0001053500000000, 0.0002089800000000, 0.0014809200000000 ] - [ 0.0015125900000000, 0.0009092300000000, -0.0001085000000000 ] - [ 0.0002123800000000, 0.0000174900000000, 0.0012698100000000 ] - [ 0.0006762100000000, -0.0004233100000000, -0.0034048600000000 ] - [ 0.0001767500000000, -0.0001648600000000, 0.0017626500000000 ] - [ -0.0006043900000000, 0.0004874600000000, -0.0000751400000000 ] - [ -0.0002464100000000, 0.0001722000000000, 0.0013011400000000 ] - [ -0.0089148400000000, -0.0001157600000000, -0.0037278200000000 ] - [ 0.0002600900000000, 0.0004155900000000, 0.0016911100000000 ] - [ -0.0009042700000000, -0.0051694700000000, 0.0020236400000000 ] - [ -0.0000177600000000, 0.0001247300000000, 0.0018406700000000 ] - [ -0.0027076100000000, -0.0085903400000000, -0.0049051800000000 ] - [ 0.0001641800000000, 0.0003777900000000, 0.0017748300000000 ] - [ -0.0084953900000000, 0.0020489800000000, 0.0088968400000000 ] - [ 0.0002280900000000, -0.0007491100000000, 0.0025888100000000 ] - [ 0.0035111500000000, 0.0053950800000000, -0.0028705200000000 ] - [ -0.0005803500000000, -0.0003767700000000, 0.0016693400000000 ] - [ -0.0023716500000000, -0.0021626700000000, 0.0030387400000000 ] - [ 0.0000411700000000, 0.0005295600000000, -0.0008328200000000 ] - [ -0.0014537800000000, -0.0008936300000000, 0.0002877100000000 ] - [ 0.0001969100000000, -0.0002540800000000, -0.0005406200000000 ] - [ -0.0002758500000000, 0.0000730300000000, -0.0006289500000000 ] - [ -0.0001611400000000, 0.0001941600000000, -0.0008251400000000 ] - [ -0.0010793000000000, -0.0012312600000000, -0.0000894400000000 ] - [ -0.0001607300000000, -0.0002556700000000, -0.0006634100000000 ] - [ 0.0001231200000000, -0.0001447600000000, 0.0012784500000000 ] - [ -0.0001941800000000, -0.0002315900000000, -0.0005255100000000 ] - [ 0.0013491300000000, 0.0008396200000000, 0.0003730000000000 ] - [ -0.0002508700000000, 0.0003859300000000, -0.0007668900000000 ] - [ -0.0014105200000000, 0.0012627800000000, 0.0004552100000000 ] - [ 0.0007029400000000, -0.0003230300000000, -0.0009967600000000 ] - [ 0.0033379100000000, -0.0021439600000000, -0.0007692500000000 ] - [ -0.0004058100000000, 0.0001614900000000, -0.0009598700000000 ] - [ 0.0013409100000000, 0.0000743000000000, 0.0014725700000000 ] - [ 0.0002772400000000, -0.0001014300000000, -0.0004933300000000 ] - [ -0.0003207600000000, -0.0011183900000000, 0.0006517700000000 ] - [ -0.0002672900000000, -0.0000321500000000, -0.0007809800000000 ] - [ 0.0010282600000000, 0.0023137400000000, 0.0000576200000000 ] - [ -0.0002538700000000, 0.0006168500000000, -0.0010550100000000 ] - [ 0.0010712100000000, 0.0003372900000000, -0.0029360200000000 ] - [ -0.0004041600000000, 0.0001512900000000, -0.0026403600000000 ] - [ -0.0006028300000000, -0.0005132100000000, 0.0005416300000000 ] - [ 0.0001046200000000, 0.0003408800000000, -0.0007701600000000 ] - [ 0.0002991600000000, 0.0050183200000000, -0.0008706400000000 ] - [ -0.0008155300000000, -0.0000560100000000, -0.0013411800000000 ] - [ 0.0004947900000000, 0.0020187400000000, 0.0005625500000000 ] - [ 0.0004991600000000, 0.0002998000000000, -0.0009181700000000 ] - [ -0.0001114400000000, -0.0002664300000000, -0.0005602800000000 ] - [ 0.0000451000000000, -0.0002988600000000, -0.0009163200000000 ] - [ 0.0004316600000000, -0.0031674000000000, -0.0005497200000000 ] - [ 0.0003627900000000, 0.0000277100000000, -0.0011604500000000 ] - [ 0.0004586100000000, -0.0012270300000000, 0.0007293900000000 ] - [ 0.0002432400000000, 0.0001901700000000, -0.0008885300000000 ] - [ 0.0010766000000000, 0.0003504700000000, 0.0004791600000000 ] - [ 0.0000527800000000, -0.0007220700000000, -0.0009239300000000 ] - [ 0.0001011900000000, 0.0002717400000000, 0.0031683400000000 ] - [ -0.0000043700000000, 0.0002767400000000, -0.0015336900000000 ] - [ 0.0000160800000000, -0.0005699600000000, 0.0041858500000000 ] - [ 0.0002702400000000, -0.0001256300000000, -0.0014712300000000 ] - [ -0.0010082700000000, -0.0019236800000000, 0.0002184100000000 ] - [ 0.0000985800000000, -0.0002533900000000, -0.0008866600000000 ] - [ -0.0001788700000000, 0.0002287300000000, 0.0011454000000000 ] - [ 0.0002806700000000, 0.0003555800000000, -0.0007340100000000 ] - [ -0.0008456700000000, -0.0003470600000000, 0.0011920000000000 ] - [ -0.0004273700000000, 0.0000980900000000, -0.0007359200000000 ] - [ -0.0016903000000000, 0.0031389100000000, -0.0013993600000000 ] - [ 0.0007403200000000, -0.0002274400000000, -0.0010969000000000 ] - [ 0.0020163000000000, -0.0014919900000000, 0.0002069300000000 ] - [ -0.0005929700000000, 0.0003752800000000, -0.0007105700000000 ] - [ 0.0000664200000000, 0.0002520300000000, 0.0074421300000000 ] - [ -0.0000073300000000, -0.0000236900000000, -0.0010256400000000 ] - [ -0.0008765800000000, 0.0014125700000000, 0.0005514100000000 ] - [ -0.0004551300000000, -0.0005524200000000, -0.0010489500000000 ] - [ 0.0008657000000000, 0.0008382700000000, 0.0002535400000000 ] - [ 0.0001750300000000, 0.0001834200000000, -0.0004675600000000 ] - [ -0.0000887700000000, 0.0001167800000000, 0.0070140300000000 ] - [ -0.0002574000000000, -0.0001514500000000, -0.0014636700000000 ] - [ 0.0002168000000000, 0.0008117600000000, -0.0012087000000000 ] - [ -0.0001101800000000, -0.0005912700000000, -0.0011402000000000 ] - [ 0.0039663000000000, 0.0016720200000000, 0.0012250500000000 ] - [ 0.0000250700000000, -0.0005886000000000, -0.0010972200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003332300000000, 0.0000605600000000, -0.0003263900000000 ] - [ -0.0002042200000000, 0.0000092000000000, -0.0003184300000000 ] - [ 0.0000457900000000, 0.0000824900000000, 0.0017727600000000 ] - [ 0.0000011000000000, 0.0000035800000000, -0.0004951100000000 ] - [ 0.0023891400000000, 0.0009248900000000, 0.0200423000000000 ] - [ 0.0001010200000000, -0.0001418600000000, -0.0007427900000000 ] - [ 0.0002002500000000, 0.0001230800000000, 0.0015309500000000 ] - [ 0.0000738500000000, 0.0001608100000000, -0.0006305200000000 ] - [ 0.0001751800000000, -0.0002249800000000, -0.0004726600000000 ] - [ 0.0000817900000000, 0.0001497100000000, -0.0004171400000000 ] - [ 0.0000468000000000, -0.0000517500000000, -0.0004173200000000 ] - [ -0.0001362200000000, -0.0002424200000000, -0.0004718100000000 ] - [ -0.0006947600000000, 0.0002314400000000, -0.0016128500000000 ] - [ 0.0004196400000000, 0.0000638800000000, -0.0016222500000000 ] - [ -0.0002637100000000, -0.0000098000000000, 0.0015303800000000 ] - [ -0.0001688800000000, -0.0000152600000000, -0.0006309100000000 ] - [ -0.0078835800000000, 0.0003708700000000, 0.0028078100000000 ] - [ -0.0000807300000000, 0.0001026100000000, -0.0015313900000000 ] - [ -0.0003747100000000, -0.0000069200000000, -0.0002557900000000 ] - [ -0.0001042400000000, -0.0002048400000000, -0.0010320800000000 ] - [ -0.0021795600000000, -0.0071644000000000, 0.0035484300000000 ] - [ 0.0001167900000000, 0.0002501100000000, -0.0017437600000000 ] - [ -0.0003061700000000, -0.0040740400000000, -0.0018721800000000 ] - [ -0.0000362300000000, 0.0001125600000000, -0.0018102300000000 ] - [ 0.0034980100000000, 0.0042050400000000, 0.0027551300000000 ] - [ -0.0001052800000000, -0.0004177200000000, -0.0015279400000000 ] - [ 0.0010997400000000, 0.0007009400000000, -0.0001183300000000 ] - [ -0.0001503200000000, 0.0001431300000000, -0.0011178700000000 ] - [ -0.0073977300000000, 0.0025351400000000, -0.0082353400000000 ] - [ 0.0004421400000000, -0.0003631300000000, -0.0024422100000000 ] - [ 0.0007178800000000, -0.0000588100000000, 0.0030547100000000 ] - [ 0.0000889900000000, 0.0001801800000000, -0.0015412900000000 ] - [ -0.0009313100000000, -0.0006883100000000, 0.0000909100000000 ] - [ 0.0003677700000000, 0.0001983000000000, -0.0012835100000000 ] - [ -0.0002038200000000, 0.0000385900000000, 0.0034011800000000 ] - [ 0.0002977600000000, -0.0002171000000000, -0.0017748200000000 ] - [ 0.0001313800000000, -0.0001046300000000, 0.0000603500000000 ] - [ -0.0002276100000000, 0.0002113000000000, -0.0013132300000000 ] - [ 0.0090427600000000, 0.0007280400000000, 0.0037651100000000 ] - [ -0.0001654300000000, 0.0001963900000000, -0.0017045300000000 ] - [ 0.0009100800000000, 0.0051542300000000, -0.0020638200000000 ] - [ 0.0000231000000000, -0.0001254900000000, -0.0018855900000000 ] - [ 0.0027074500000000, 0.0086172600000000, 0.0048946800000000 ] - [ -0.0001685500000000, -0.0003754900000000, -0.0018168100000000 ] - [ 0.0083113600000000, -0.0026260000000000, -0.0088340800000000 ] - [ -0.0003228000000000, 0.0001389800000000, -0.0026058700000000 ] - [ -0.0040927800000000, -0.0056013500000000, 0.0028645700000000 ] - [ 0.0000025200000000, 0.0001622300000000, -0.0016836000000000 ] - [ 0.0020530300000000, 0.0025415700000000, -0.0027673300000000 ] - [ -0.0002671900000000, -0.0001285100000000, 0.0012051600000000 ] - [ 0.0016729800000000, 0.0004938100000000, 0.0000861200000000 ] - [ 0.0000301000000000, -0.0001434200000000, 0.0009123100000000 ] - [ -0.0001568600000000, 0.0002807600000000, 0.0005595200000000 ] - [ -0.0002752500000000, 0.0001571800000000, 0.0007537000000000 ] - [ 0.0009439500000000, 0.0006193000000000, 0.0001405200000000 ] - [ 0.0000291800000000, -0.0003523800000000, 0.0007175600000000 ] - [ -0.0003552800000000, -0.0002526900000000, -0.0009107700000000 ] - [ -0.0000330800000000, -0.0001667700000000, 0.0008931900000000 ] - [ -0.0018135600000000, -0.0004181900000000, -0.0003274400000000 ] - [ -0.0002066400000000, 0.0000371100000000, 0.0008153900000000 ] - [ 0.0020136700000000, -0.0010809900000000, -0.0004075700000000 ] - [ -0.0001029200000000, 0.0005027400000000, 0.0010406700000000 ] - [ -0.0035322900000000, 0.0027479300000000, 0.0004955900000000 ] - [ 0.0001964500000000, 0.0004594800000000, 0.0007463300000000 ] - [ -0.0008794900000000, -0.0000840100000000, -0.0011057800000000 ] - [ 0.0001885500000000, 0.0000935900000000, 0.0008678900000000 ] - [ -0.0003190000000000, 0.0012472800000000, -0.0008627800000000 ] - [ -0.0003713500000000, 0.0001629500000000, 0.0005661400000000 ] - [ -0.0008974600000000, -0.0010268500000000, -0.0005914500000000 ] - [ 0.0003787800000000, 0.0006653300000000, 0.0005165000000000 ] - [ -0.0005447600000000, -0.0001385900000000, 0.0028619700000000 ] - [ 0.0009305500000000, 0.0000438400000000, 0.0025774800000000 ] - [ 0.0010416200000000, 0.0009989800000000, -0.0007486200000000 ] - [ 0.0003341800000000, 0.0001483900000000, 0.0005585100000000 ] - [ -0.0013604400000000, -0.0042128600000000, 0.0002021100000000 ] - [ -0.0002318600000000, 0.0008140500000000, 0.0008047100000000 ] - [ 0.0006787300000000, -0.0014941700000000, -0.0011034000000000 ] - [ 0.0006780800000000, 0.0002297300000000, 0.0003818900000000 ] - [ 0.0000256600000000, -0.0002773400000000, 0.0004918900000000 ] - [ -0.0001319100000000, -0.0002448300000000, 0.0008455600000000 ] - [ -0.0002481600000000, 0.0026233600000000, 0.0005093800000000 ] - [ -0.0001552700000000, -0.0006474300000000, 0.0009481800000000 ] - [ 0.0001773800000000, 0.0010977200000000, -0.0009452800000000 ] - [ 0.0003982500000000, -0.0003195900000000, 0.0006739200000000 ] - [ -0.0012043800000000, -0.0016373600000000, -0.0010219200000000 ] - [ -0.0001759200000000, -0.0005568700000000, 0.0003850400000000 ] - [ -0.0000183100000000, 0.0002761800000000, -0.0032342500000000 ] - [ 0.0000917000000000, 0.0002660400000000, 0.0014650300000000 ] - [ 0.0004154500000000, 0.0002169500000000, -0.0042574600000000 ] - [ 0.0001648800000000, -0.0002262400000000, 0.0013984300000000 ] - [ 0.0005745700000000, 0.0014325000000000, -0.0004345300000000 ] - [ -0.0005396000000000, -0.0002353300000000, 0.0006757500000000 ] - [ 0.0003100300000000, 0.0003805100000000, -0.0010867400000000 ] - [ -0.0001476900000000, 0.0002530500000000, 0.0007841200000000 ] - [ 0.0002466900000000, 0.0001610500000000, -0.0011334500000000 ] - [ -0.0001731200000000, -0.0002786400000000, 0.0007781700000000 ] - [ 0.0027469900000000, -0.0039087600000000, 0.0009180400000000 ] - [ 0.0003052600000000, -0.0005267500000000, 0.0005611600000000 ] - [ -0.0024726000000000, 0.0014945000000000, 0.0001667100000000 ] - [ 0.0001291400000000, -0.0003695500000000, 0.0010853500000000 ] - [ -0.0000608200000000, -0.0002298400000000, -0.0061706300000000 ] - [ 0.0000107600000000, 0.0000280000000000, 0.0023064500000000 ] - [ -0.0003062700000000, -0.0019360000000000, -0.0010840300000000 ] - [ -0.0007186400000000, 0.0000213700000000, 0.0005120200000000 ] - [ -0.0006343600000000, -0.0004400000000000, 0.0001187800000000 ] - [ 0.0000571000000000, 0.0002153300000000, 0.0008381100000000 ] - [ -0.0004239400000000, -0.0003211700000000, -0.0070885200000000 ] - [ -0.0002641800000000, -0.0000468300000000, 0.0013940400000000 ] - [ -0.0002213800000000, -0.0008150900000000, 0.0024879200000000 ] - [ 0.0001062000000000, 0.0005882900000000, 0.0024213200000000 ] - [ -0.0035444400000000, -0.0020894600000000, -0.0011003900000000 ] - [ 0.0004316700000000, 0.0001664100000000, 0.0011469000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0031395900000000, 0.0020402400000000, 0.0034307200000000 ] - [ 0.0000033700000000, 0.0001036200000000, -0.0000172000000000 ] - [ 0.0080439700000000, 0.0037560000000000, -0.0062841500000000 ] - [ 0.0001065800000000, 0.0001070600000000, 0.0002844200000000 ] - [ 0.0074631700000000, -0.0045224400000000, 0.0076642900000000 ] - [ 0.0000817700000000, -0.0002750000000000, -0.0001042200000000 ] - [ 0.0006116000000000, 0.0008976700000000, 0.0001228900000000 ] - [ 0.0002095000000000, 0.0002655900000000, 0.0000130300000000 ] - [ -0.0018591900000000, -0.0003342900000000, -0.0001284500000000 ] - [ 0.0000461100000000, -0.0000224500000000, 0.0000121000000000 ] - [ 0.0019376000000000, 0.0002686300000000, 0.0000067900000000 ] - [ 0.0000416400000000, -0.0001616600000000, 0.0000423500000000 ] - [ -0.0006533700000000, -0.0040778400000000, -0.0075180300000000 ] - [ -0.0000700900000000, 0.0000547000000000, 0.0002581100000000 ] - [ -0.0033854600000000, -0.0027160300000000, -0.0020766200000000 ] - [ -0.0004040800000000, -0.0000642800000000, 0.0001224200000000 ] - [ -0.3008811400000000, 0.0001729300000000, 0.0039406800000000 ] - [ -0.0003890200000000, 0.0000417800000000, 0.0000855900000000 ] - [ 0.0004570400000000, -0.0010277500000000, -0.0015332800000000 ] - [ 0.0009969200000000, -0.0005941400000000, 0.0046325200000000 ] - [ -0.0001712000000000, -0.0089574400000000, -0.0015247000000000 ] - [ 0.0000184200000000, -0.0000948700000000, 0.0000308800000000 ] - [ 0.0002106700000000, 0.0010393600000000, 0.0012416900000000 ] - [ -0.0003610600000000, 0.0001614000000000, -0.0061892500000000 ] - [ 0.0123172300000000, 0.0000949700000000, -0.0006402600000000 ] - [ 0.0002919900000000, -0.0001540600000000, -0.0000679600000000 ] - [ -0.0005741300000000, -0.0003195900000000, -0.0001511000000000 ] - [ 0.0000651500000000, 0.0007976800000000, 0.0012815200000000 ] - [ 0.0007983500000000, -0.0001515000000000, 0.0002497000000000 ] - [ 0.0007945200000000, -0.0007381700000000, -0.0016761900000000 ] - [ 0.0025897600000000, 0.0055070800000000, 0.0018502300000000 ] - [ 0.0001213200000000, 0.0002528600000000, -0.0001069600000000 ] - [ 0.0028307500000000, 0.0110741300000000, 0.0023863300000000 ] - [ 0.0003339600000000, 0.0000631700000000, 0.0000691900000000 ] - [ 0.0006980800000000, 0.0008808800000000, -0.0001450300000000 ] - [ 0.0005216800000000, 0.0009300300000000, -0.0002597200000000 ] - [ 0.0190544200000000, -0.0225418200000000, 0.0181694500000000 ] - [ -0.0001398400000000, 0.0001685800000000, -0.0002163400000000 ] - [ -0.0041474300000000, 0.0029313100000000, 0.0021167500000000 ] - [ -0.0025895000000000, -0.0002030600000000, 0.0002328300000000 ] - [ 0.0176680100000000, 0.0332300700000000, -0.0121877800000000 ] - [ -0.0000134400000000, 0.0000076600000000, 0.0001977200000000 ] - [ 0.0002458300000000, -0.0012303600000000, 0.0000971100000000 ] - [ 0.0000674500000000, -0.0014938700000000, 0.0003064800000000 ] - [ 0.0066699400000000, -0.0017713900000000, -0.0011523500000000 ] - [ -0.0000442800000000, -0.0003686000000000, 0.0000834300000000 ] - [ 0.0019077800000000, 0.0001106700000000, -0.0007394600000000 ] - [ 0.0021209500000000, -0.0002245500000000, 0.0004350300000000 ] - [ -0.0015477800000000, -0.0000083500000000, 0.0000047000000000 ] - [ -0.0007072300000000, 0.0000207800000000, 0.0004602800000000 ] - [ 0.0235055100000000, 0.0179196700000000, 0.0153268000000000 ] - [ 0.0001537100000000, -0.0002016300000000, 0.0000940300000000 ] - [ -0.0014943600000000, -0.0015255400000000, -0.0013906700000000 ] - [ -0.0001785900000000, 0.0002301700000000, -0.0000396500000000 ] - [ -0.0008006900000000, -0.0002396800000000, 0.0002933800000000 ] - [ -0.0019696600000000, -0.0005020000000000, -0.0014588400000000 ] - [ -0.0000509800000000, -0.0007652800000000, 0.0006544400000000 ] - [ -0.0005672100000000, -0.0005982600000000, -0.0000530000000000 ] - [ 0.0003420700000000, 0.0003256300000000, -0.0016523700000000 ] - [ 0.0006552600000000, 0.0004733500000000, -0.0009532700000000 ] - [ 0.0000662100000000, -0.0000745800000000, 0.0000614900000000 ] - [ -0.0001115500000000, -0.0000431000000000, 0.0001290900000000 ] - [ 0.0013774700000000, 0.0007434700000000, -0.0014538000000000 ] - [ 0.0012891600000000, 0.0011691200000000, 0.0014661100000000 ] - [ 0.0027996800000000, -0.0019308400000000, 0.0024854600000000 ] - [ 0.0011857500000000, -0.0004614000000000, -0.0009728500000000 ] - [ -0.0028897300000000, 0.0121607500000000, -0.0013584900000000 ] - [ -0.0003239600000000, 0.0001485700000000, -0.0000738200000000 ] - [ -0.0106654100000000, -0.0039953500000000, -0.0004051800000000 ] - [ -0.0000484700000000, 0.0006501800000000, -0.0003092500000000 ] - [ -0.0019159300000000, 0.0007404000000000, 0.0017350400000000 ] - [ 0.0001585400000000, 0.0001292300000000, -0.0001470600000000 ] - [ 0.0011474700000000, -0.0018738400000000, 0.0011793800000000 ] - [ 0.0001530200000000, 0.0002680500000000, -0.0001557100000000 ] - [ -0.0005929800000000, 0.0010312600000000, -0.0005629800000000 ] - [ -0.0002383000000000, 0.0012745500000000, 0.0002590800000000 ] - [ 0.0003429600000000, 0.0010282700000000, -0.0000173900000000 ] - [ 0.0003846900000000, 0.0017103100000000, -0.0015563300000000 ] - [ -0.0003339300000000, 0.0032994000000000, -0.0108354200000000 ] - [ -0.0000446700000000, -0.0001859400000000, 0.0004452500000000 ] - [ -0.0032611800000000, 0.0058261400000000, 0.0012056500000000 ] - [ 0.0001327500000000, -0.0002271400000000, -0.0001769800000000 ] - [ 0.0005876900000000, -0.0007228000000000, -0.0003641400000000 ] - [ 0.0010622800000000, -0.0011644300000000, 0.0011795700000000 ] - [ -0.0001118800000000, -0.0004264800000000, -0.0002656100000000 ] - [ -0.0000973400000000, -0.0005654500000000, -0.0005878600000000 ] - [ -0.0002463800000000, -0.0008826100000000, -0.0007583100000000 ] - [ 0.0000569400000000, 0.0000652300000000, 0.0001776800000000 ] - [ -0.0029592500000000, 0.0000494900000000, 0.0005166600000000 ] - [ -0.0002593500000000, -0.0001576600000000, -0.0001227800000000 ] - [ -0.0012492900000000, -0.0002464100000000, -0.0002667500000000 ] - [ -0.0019677500000000, -0.0000810800000000, 0.0012288700000000 ] - [ -0.0024883400000000, -0.0041507100000000, -0.0004244900000000 ] - [ 0.0000348900000000, 0.0002766400000000, 0.0000145900000000 ] - [ 0.0962109000000000, -0.0676094400000000, 0.0008322100000000 ] - [ -0.0002465700000000, -0.0001414400000000, 0.0000010600000000 ] - [ 0.1257957300000000, 0.0476875800000000, -0.0310753200000000 ] - [ 0.0006091900000000, -0.0003338600000000, -0.0003292400000000 ] - [ -0.0022148300000000, -0.0002126700000000, 0.0002429800000000 ] - [ -0.0002371800000000, 0.0000100700000000, 0.0002062600000000 ] - [ -0.0001588400000000, 0.0021522900000000, 0.0009004600000000 ] - [ -0.0000213800000000, 0.0002944500000000, 0.0003394200000000 ] - [ 0.0026400200000000, -0.0136425600000000, -0.0011622400000000 ] - [ -0.0005307400000000, -0.0003043100000000, -0.0002876500000000 ] - [ -0.0102891200000000, 0.0018968200000000, -0.0012559500000000 ] - [ -0.0000114800000000, 0.0001795300000000, 0.0002728700000000 ] - [ 0.0207008800000000, -0.0039755000000000, 0.0099958800000000 ] - [ 0.0001873400000000, 0.0000064500000000, -0.0001710700000000 ] - [ -0.0025845000000000, -0.0065173900000000, 0.0122288800000000 ] - [ -0.0000375300000000, -0.0001451300000000, 0.0002958000000000 ] - [ -0.0050844700000000, -0.0005385100000000, -0.0002600400000000 ] - [ 0.0001768300000000, -0.0002293400000000, 0.0000259500000000 ]- atom: 17 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0031358300000000, -0.0020310600000000, -0.0031300200000000 ] - [ -0.0000061200000000, -0.0001038000000000, 0.0002872000000000 ] - [ -0.0079653200000000, -0.0037219900000000, 0.0064745400000000 ] - [ -0.0001074900000000, -0.0001072400000000, -0.0000126600000000 ] - [ -0.0073707500000000, 0.0042625000000000, -0.0076998400000000 ] - [ 0.0000849600000000, -0.0000177500000000, 0.0001648800000000 ] - [ -0.0004446800000000, -0.0006091800000000, -0.0000620700000000 ] - [ -0.0000354500000000, 0.0000333300000000, 0.0000469100000000 ] - [ 0.0021874900000000, 0.0003331000000000, 0.0001903100000000 ] - [ 0.0002865900000000, 0.0000167200000000, 0.0000463700000000 ] - [ -0.0021121600000000, -0.0005746700000000, 0.0000535200000000 ] - [ -0.0002172900000000, -0.0001401800000000, 0.0000166200000000 ] - [ 0.0005141700000000, 0.0043834300000000, 0.0076166400000000 ] - [ -0.0000940700000000, 0.0002398500000000, -0.0001961500000000 ] - [ 0.0030417200000000, 0.0027411500000000, 0.0021381500000000 ] - [ 0.0000719300000000, 0.0000725300000000, -0.0000627500000000 ] - [ 0.3038198300000000, 0.0088301400000000, -0.0070953400000000 ] - [ -0.0000410700000000, -0.0000683100000000, -0.0001455800000000 ] - [ -0.0006608000000000, 0.0006425100000000, 0.0014759900000000 ] - [ -0.0011929600000000, 0.0002072000000000, -0.0046832400000000 ] - [ 0.0002040100000000, 0.0090022300000000, 0.0012365300000000 ] - [ -0.0000250200000000, 0.0000977200000000, -0.0003106300000000 ] - [ -0.0001979300000000, -0.0010341300000000, -0.0015234300000000 ] - [ 0.0003707800000000, -0.0001653100000000, 0.0059202100000000 ] - [ -0.0120709600000000, -0.0004877700000000, 0.0005849200000000 ] - [ -0.0000520300000000, -0.0002075000000000, 0.0000092900000000 ] - [ 0.0003279100000000, 0.0006636200000000, 0.0000934200000000 ] - [ -0.0003065300000000, -0.0004422800000000, -0.0013585500000000 ] - [ -0.0003609500000000, 0.0001817300000000, -0.0003199500000000 ] - [ -0.0003644100000000, 0.0007677000000000, 0.0016318200000000 ] - [ -0.0023998700000000, -0.0051105900000000, -0.0019209300000000 ] - [ 0.0000719700000000, 0.0001360800000000, 0.0000470000000000 ] - [ -0.0023322300000000, -0.0109150200000000, -0.0023920500000000 ] - [ 0.0002462000000000, 0.0001502600000000, -0.0000819500000000 ] - [ -0.0002307500000000, -0.0012561500000000, 0.0001220600000000 ] - [ -0.0000531500000000, -0.0013103900000000, 0.0002506600000000 ] - [ -0.0194687300000000, 0.0227686600000000, -0.0181878400000000 ] - [ -0.0003357500000000, 0.0002151500000000, 0.0002034500000000 ] - [ 0.0042335800000000, -0.0023145500000000, -0.0020489900000000 ] - [ 0.0026871000000000, 0.0008235600000000, -0.0002534100000000 ] - [ -0.0178133600000000, -0.0333153800000000, 0.0122144000000000 ] - [ 0.0000195100000000, -0.0000075000000000, -0.0002395100000000 ] - [ -0.0002452000000000, 0.0012295200000000, -0.0001463800000000 ] - [ -0.0000651700000000, 0.0014961800000000, -0.0003461800000000 ] - [ -0.0068062500000000, 0.0011532200000000, 0.0011703300000000 ] - [ -0.0000498200000000, -0.0002427100000000, -0.0000983700000000 ] - [ -0.0024838800000000, -0.0003371200000000, 0.0007071000000000 ] - [ -0.0026982100000000, 0.0000070600000000, -0.0004460200000000 ] - [ 0.0013164200000000, 0.0004096100000000, 0.0003791800000000 ] - [ 0.0004799600000000, 0.0003797200000000, -0.0000910000000000 ] - [ -0.0236171500000000, -0.0187119100000000, -0.0151973300000000 ] - [ 0.0000755700000000, -0.0001927900000000, 0.0002752900000000 ] - [ 0.0010844900000000, 0.0019102700000000, 0.0013394500000000 ] - [ -0.0002580000000000, 0.0001226700000000, -0.0000331700000000 ] - [ 0.0006759800000000, -0.0003650700000000, -0.0002334900000000 ] - [ 0.0018380900000000, -0.0001047300000000, 0.0015111400000000 ] - [ -0.0001679700000000, 0.0003672600000000, -0.0002797000000000 ] - [ 0.0003474800000000, 0.0002006700000000, 0.0004221000000000 ] - [ -0.0007855100000000, 0.0001064300000000, 0.0016690500000000 ] - [ -0.0011109500000000, -0.0000541200000000, 0.0010162000000000 ] - [ 0.0005315900000000, 0.0002540200000000, -0.0000062400000000 ] - [ 0.0007138500000000, 0.0002196500000000, -0.0000882700000000 ] - [ -0.0016099300000000, -0.0001425300000000, 0.0012207900000000 ] - [ -0.0014989700000000, -0.0005503600000000, -0.0016790500000000 ] - [ -0.0023022500000000, 0.0019056900000000, -0.0021254500000000 ] - [ -0.0007184000000000, 0.0004513700000000, 0.0013471900000000 ] - [ 0.0022474200000000, -0.0120704700000000, 0.0011606500000000 ] - [ -0.0003132200000000, -0.0000148500000000, -0.0001404000000000 ] - [ 0.0107547800000000, 0.0052537900000000, -0.0001466200000000 ] - [ 0.0001729700000000, 0.0006328200000000, -0.0002285000000000 ] - [ 0.0024410200000000, -0.0005359000000000, -0.0018277100000000 ] - [ 0.0003614300000000, 0.0000688500000000, 0.0000813300000000 ] - [ -0.0007244700000000, 0.0023911600000000, -0.0013976600000000 ] - [ 0.0002873800000000, 0.0002188800000000, -0.0000553000000000 ] - [ -0.0004589700000000, -0.0002785200000000, 0.0000312800000000 ] - [ -0.0008136600000000, -0.0005178900000000, -0.0007976500000000 ] - [ 0.0008344200000000, -0.0005017900000000, -0.0005166900000000 ] - [ 0.0007923100000000, -0.0011798500000000, 0.0010189700000000 ] - [ 0.0002548900000000, -0.0038341300000000, 0.0107407200000000 ] - [ -0.0000382000000000, -0.0003600000000000, -0.0005173800000000 ] - [ 0.0035027400000000, -0.0065031300000000, -0.0014382200000000 ] - [ 0.0000703000000000, -0.0003929900000000, -0.0000348800000000 ] - [ 0.0000471800000000, 0.0005799200000000, 0.0001534400000000 ] - [ -0.0004201100000000, 0.0010313800000000, -0.0013942200000000 ] - [ -0.0000179000000000, -0.0008521400000000, -0.0002699100000000 ] - [ -0.0000310600000000, -0.0007125400000000, 0.0000531100000000 ] - [ 0.0003331500000000, 0.0014183100000000, 0.0006991900000000 ] - [ 0.0000293200000000, 0.0004774200000000, -0.0002493000000000 ] - [ 0.0033919000000000, -0.0003895500000000, -0.0005825600000000 ] - [ 0.0006964700000000, -0.0001918600000000, 0.0000465100000000 ] - [ 0.0008035000000000, -0.0002425900000000, 0.0000607800000000 ] - [ 0.0015240400000000, -0.0004035300000000, -0.0014402400000000 ] - [ 0.0026606500000000, 0.0047549400000000, 0.0004585200000000 ] - [ 0.0000980900000000, 0.0003320900000000, 0.0000366700000000 ] - [ -0.0929489100000000, 0.0632162600000000, -0.0005745500000000 ] - [ -0.0003524900000000, -0.0000405600000000, 0.0000438600000000 ] - [ -0.1317290700000000, -0.0523694400000000, 0.0329340900000000 ] - [ 0.0004365600000000, -0.0004230500000000, -0.0002054700000000 ] - [ 0.0017663100000000, 0.0002039700000000, 0.0001265700000000 ] - [ -0.0002260700000000, -0.0000058200000000, 0.0001688400000000 ] - [ 0.0001539700000000, -0.0021525300000000, 0.0003851300000000 ] - [ 0.0000237200000000, -0.0002902400000000, 0.0009397800000000 ] - [ -0.0038244000000000, 0.0131462700000000, 0.0006286900000000 ] - [ -0.0006432800000000, -0.0002273000000000, -0.0002484200000000 ] - [ 0.0105326400000000, -0.0014721900000000, 0.0016340100000000 ] - [ 0.0002411600000000, 0.0002189600000000, 0.0000976900000000 ] - [ -0.0210808400000000, 0.0034961600000000, -0.0092763200000000 ] - [ -0.0007091500000000, -0.0002078100000000, 0.0001025300000000 ] - [ 0.0025940600000000, 0.0065179100000000, -0.0109591000000000 ] - [ 0.0000324100000000, 0.0001385700000000, 0.0009822200000000 ] - [ 0.0055488700000000, 0.0001249700000000, 0.0003042500000000 ] - [ 0.0002802800000000, -0.0001923900000000, 0.0000250700000000 ]- atom: 17 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0005500800000000, -0.0037508700000000, -0.0011329600000000 ] - [ 0.0001908600000000, -0.0002076600000000, 0.0001273300000000 ] - [ -0.0008619100000000, -0.0049671900000000, 0.0025616700000000 ] - [ 0.0000905900000000, -0.0002498900000000, 0.0000483400000000 ] - [ -0.0071046300000000, -0.0004451500000000, -0.0041742400000000 ] - [ 0.0000123900000000, -0.0001802400000000, -0.0000032300000000 ] - [ 0.0001135900000000, 0.0020051800000000, -0.0005921100000000 ] - [ 0.0000321500000000, 0.0003274500000000, 0.0000376400000000 ] - [ 0.0013698700000000, 0.0019961200000000, -0.0010237100000000 ] - [ 0.0002142400000000, 0.0000518800000000, 0.0000764600000000 ] - [ -0.0012244700000000, 0.0016872600000000, -0.0002467100000000 ] - [ -0.0001649000000000, 0.0000464900000000, 0.0000226300000000 ] - [ -0.0032427200000000, -0.0017576800000000, 0.0059957100000000 ] - [ -0.0002742800000000, 0.0001387200000000, -0.0004085700000000 ] - [ 0.0003535100000000, 0.0067882900000000, 0.0054985700000000 ] - [ -0.0000352600000000, 0.0000810900000000, -0.0002881700000000 ] - [ 0.1423597300000000, -0.2355898900000000, -0.0076422500000000 ] - [ -0.0000810500000000, -0.0002887100000000, -0.0002663000000000 ] - [ -0.0004009300000000, 0.0007113800000000, 0.0016303200000000 ] - [ -0.0018079900000000, 0.0000457000000000, -0.0069167000000000 ] - [ -0.0080476400000000, 0.0121564200000000, 0.0008226000000000 ] - [ -0.0001236400000000, 0.0001405400000000, -0.0003937600000000 ] - [ -0.0004664200000000, -0.0017116700000000, -0.0000728500000000 ] - [ 0.0004241600000000, -0.0001249300000000, -0.0007164500000000 ] - [ -0.0070720600000000, -0.0014623000000000, 0.0027929700000000 ] - [ -0.0000613300000000, -0.0002568300000000, -0.0003651900000000 ] - [ 0.0005022200000000, 0.0017927200000000, -0.0011438400000000 ] - [ -0.0003712500000000, 0.0006776800000000, 0.0041012000000000 ] - [ -0.0007276700000000, -0.0003401400000000, -0.0001223400000000 ] - [ -0.0002207000000000, -0.0000438000000000, 0.0006567800000000 ] - [ 0.0047928700000000, 0.0048037400000000, -0.0000917900000000 ] - [ 0.0002534400000000, 0.0002299100000000, -0.0001625200000000 ] - [ 0.0085061600000000, 0.0280139700000000, 0.0060265500000000 ] - [ 0.0002078200000000, 0.0002146600000000, -0.0005155600000000 ] - [ 0.0016259700000000, 0.0004330600000000, 0.0005112400000000 ] - [ 0.0012498700000000, 0.0005745800000000, -0.0000801600000000 ] - [ -0.0262993800000000, 0.0302947300000000, -0.0225335000000000 ] - [ -0.0002395100000000, 0.0002201000000000, 0.0000491900000000 ] - [ 0.0043328100000000, -0.0085481700000000, -0.0076270700000000 ] - [ 0.0006940200000000, -0.0026206400000000, 0.0007726500000000 ] - [ 0.0068068000000000, -0.0002679800000000, -0.0020780900000000 ] - [ -0.0000353900000000, -0.0000452600000000, -0.0003595400000000 ] - [ -0.0011696900000000, 0.0019252900000000, -0.0012518700000000 ] - [ -0.0017350300000000, 0.0019656700000000, -0.0001519500000000 ] - [ -0.0062202900000000, -0.0037194700000000, 0.0006800900000000 ] - [ -0.0001219000000000, -0.0003376000000000, -0.0002708600000000 ] - [ -0.0019004900000000, -0.0008806500000000, 0.0024400900000000 ] - [ -0.0017852300000000, -0.0004192400000000, -0.0012100400000000 ] - [ 0.0008839100000000, 0.0010370500000000, -0.0002046500000000 ] - [ 0.0003119300000000, 0.0007356300000000, 0.0002148200000000 ] - [ 0.0043416100000000, 0.0704969900000000, 0.0483371000000000 ] - [ 0.0000905900000000, -0.0001291800000000, 0.0004932800000000 ] - [ -0.0018031600000000, -0.0045170600000000, -0.0048944400000000 ] - [ -0.0003194500000000, -0.0000760500000000, 0.0004710400000000 ] - [ 0.0001672900000000, -0.0003353600000000, -0.0006529900000000 ] - [ 0.0018410700000000, 0.0002414200000000, 0.0019645700000000 ] - [ -0.0014416900000000, -0.0006579500000000, 0.0004788300000000 ] - [ -0.0008247100000000, -0.0005107000000000, -0.0005567100000000 ] - [ -0.0011908400000000, -0.0001744200000000, 0.0034068500000000 ] - [ -0.0005130800000000, 0.0018885400000000, -0.0025021100000000 ] - [ 0.0002776500000000, 0.0000814800000000, -0.0000984600000000 ] - [ 0.0000842500000000, -0.0000879400000000, 0.0000107800000000 ] - [ 0.0015878600000000, 0.0035170600000000, 0.0033034000000000 ] - [ -0.0001292800000000, 0.0011351900000000, -0.0002052100000000 ] - [ -0.0036550200000000, 0.0055567200000000, -0.0015541800000000 ] - [ -0.0007545700000000, 0.0015131900000000, 0.0017262600000000 ] - [ 0.0044503000000000, -0.0143515900000000, 0.0006562200000000 ] - [ -0.0002921100000000, -0.0000381800000000, -0.0000795300000000 ] - [ 0.0018554800000000, 0.0002099700000000, -0.0006745400000000 ] - [ 0.0002316100000000, 0.0005936300000000, -0.0000928300000000 ] - [ 0.0015663000000000, 0.0010156800000000, -0.0008269500000000 ] - [ 0.0004494500000000, 0.0001662000000000, 0.0001369600000000 ] - [ 0.0037799700000000, -0.0076185000000000, -0.0002211300000000 ] - [ 0.0003882000000000, 0.0001372600000000, 0.0000759800000000 ] - [ 0.0001519400000000, -0.0000680300000000, 0.0002993000000000 ] - [ -0.0000982600000000, -0.0001792100000000, -0.0007296600000000 ] - [ 0.0011932000000000, -0.0009169500000000, -0.0004175100000000 ] - [ 0.0013883500000000, -0.0019445700000000, 0.0016340700000000 ] - [ 0.0021215900000000, -0.0039780800000000, 0.0140798000000000 ] - [ -0.0001044800000000, -0.0003257600000000, -0.0003799800000000 ] - [ 0.0071930800000000, -0.0030209600000000, -0.0017244700000000 ] - [ 0.0001434100000000, -0.0003513700000000, 0.0000247500000000 ] - [ -0.0002622900000000, -0.0002400200000000, -0.0006672700000000 ] - [ -0.0001919000000000, -0.0005728500000000, 0.0002558900000000 ] - [ 0.0002907200000000, -0.0013805000000000, 0.0001434600000000 ] - [ 0.0011950200000000, -0.0014526300000000, -0.0011116300000000 ] - [ -0.0010073900000000, -0.0005957500000000, -0.0001975500000000 ] - [ -0.0001564700000000, 0.0001431200000000, 0.0000659300000000 ] - [ 0.0025868000000000, -0.0003141800000000, -0.0025174900000000 ] - [ 0.0004663900000000, -0.0001855100000000, 0.0006269400000000 ] - [ 0.0007355500000000, -0.0003540200000000, -0.0007607000000000 ] - [ 0.0002471900000000, -0.0005084700000000, 0.0000648200000000 ] - [ -0.0072187100000000, -0.0055170500000000, 0.0027988000000000 ] - [ -0.0000506700000000, 0.0002768500000000, 0.0001503100000000 ] - [ -0.1001843300000000, 0.0947201000000000, -0.0012682100000000 ] - [ -0.0003876400000000, 0.0000311600000000, 0.0001342000000000 ] - [ -0.0208240900000000, 0.0097492100000000, 0.0030855300000000 ] - [ 0.0005357900000000, -0.0003091800000000, -0.0001567800000000 ] - [ 0.0005131600000000, -0.0009460800000000, -0.0000222300000000 ] - [ -0.0002447800000000, -0.0000164100000000, 0.0002543700000000 ] - [ 0.0018763400000000, -0.0031391000000000, 0.0012140700000000 ] - [ 0.0003363800000000, -0.0003774500000000, 0.0009265200000000 ] - [ -0.0053254400000000, -0.0020550200000000, 0.0004519800000000 ] - [ -0.0006647700000000, -0.0002443900000000, -0.0001488900000000 ] - [ 0.0128701100000000, -0.0025235400000000, 0.0032030300000000 ] - [ 0.0001473500000000, 0.0002052800000000, 0.0002050600000000 ] - [ -0.0141154100000000, 0.0331196800000000, -0.0427210700000000 ] - [ -0.0003184100000000, 0.0003709700000000, -0.0002550300000000 ] - [ -0.0005824700000000, 0.0010290800000000, 0.0003227800000000 ] - [ 0.0001395600000000, 0.0003421900000000, 0.0010377700000000 ] - [ 0.0030397400000000, 0.0026762200000000, 0.0001916000000000 ] - [ 0.0002948800000000, -0.0000825600000000, 0.0001854200000000 ]- atom: 17 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0005625200000000, 0.0037573500000000, 0.0014011800000000 ] - [ -0.0001925100000000, 0.0002081200000000, 0.0001440300000000 ] - [ 0.0008254800000000, 0.0049733000000000, -0.0022765100000000 ] - [ -0.0000909700000000, 0.0002501200000000, 0.0002233100000000 ] - [ 0.0072272000000000, 0.0001081600000000, 0.0041774200000000 ] - [ 0.0001539700000000, -0.0001135900000000, 0.0000636100000000 ] - [ 0.0000637600000000, -0.0017049700000000, 0.0006481600000000 ] - [ 0.0001422300000000, -0.0000283900000000, 0.0000220100000000 ] - [ -0.0010458500000000, -0.0020043200000000, 0.0010920100000000 ] - [ 0.0001183800000000, -0.0000594500000000, -0.0000188400000000 ] - [ 0.0010603500000000, -0.0019831700000000, 0.0003096900000000 ] - [ -0.0000076000000000, -0.0003461700000000, 0.0000364100000000 ] - [ 0.0030914100000000, 0.0020222700000000, -0.0059116400000000 ] - [ 0.0001092400000000, 0.0001564800000000, 0.0004709200000000 ] - [ -0.0006911500000000, -0.0068235700000000, -0.0054794800000000 ] - [ -0.0002973400000000, -0.0000729200000000, 0.0003481100000000 ] - [ -0.1525408200000000, 0.2399123200000000, 0.0060611400000000 ] - [ -0.0003503300000000, 0.0002623900000000, 0.0002063600000000 ] - [ 0.0002099400000000, -0.0010961800000000, -0.0016970000000000 ] - [ 0.0016206100000000, -0.0004299600000000, 0.0068892600000000 ] - [ 0.0080350100000000, -0.0120810500000000, -0.0011122500000000 ] - [ 0.0001170600000000, -0.0001384100000000, 0.0001149800000000 ] - [ 0.0004739100000000, 0.0017229500000000, -0.0002025900000000 ] - [ -0.0004187900000000, 0.0001212100000000, 0.0004250200000000 ] - [ 0.0073260900000000, 0.0010889900000000, -0.0028498000000000 ] - [ 0.0003022200000000, -0.0001047700000000, 0.0003060200000000 ] - [ -0.0007369800000000, -0.0014511300000000, 0.0010825100000000 ] - [ 0.0001355100000000, -0.0003201500000000, -0.0041782100000000 ] - [ 0.0011566700000000, 0.0003595600000000, 0.0000584500000000 ] - [ 0.0006479300000000, 0.0000695200000000, -0.0007052400000000 ] - [ -0.0046153200000000, -0.0044272900000000, 0.0000177800000000 ] - [ -0.0000598400000000, 0.0001593600000000, 0.0001023200000000 ] - [ -0.0077963200000000, -0.0277978800000000, -0.0059068700000000 ] - [ 0.0003728000000000, -0.0000014700000000, 0.0005024500000000 ] - [ -0.0011631000000000, -0.0008176600000000, -0.0005321900000000 ] - [ -0.0007814000000000, -0.0009538200000000, 0.0000691900000000 ] - [ 0.0261036000000000, -0.0300403500000000, 0.0225092700000000 ] - [ -0.0002341900000000, 0.0001639400000000, -0.0000650700000000 ] - [ -0.0042682200000000, 0.0092077500000000, 0.0076845800000000 ] - [ -0.0006046400000000, 0.0032407400000000, -0.0007926600000000 ] - [ -0.0068156700000000, 0.0003905300000000, 0.0020318900000000 ] - [ 0.0000409200000000, 0.0000453400000000, 0.0003183300000000 ] - [ 0.0011683300000000, -0.0019298800000000, 0.0011677200000000 ] - [ 0.0017390600000000, -0.0019681700000000, 0.0001152300000000 ] - [ 0.0060456900000000, 0.0030487200000000, -0.0006662300000000 ] - [ 0.0000271400000000, -0.0002745300000000, 0.0002570100000000 ] - [ 0.0013298300000000, 0.0006655800000000, -0.0024596000000000 ] - [ 0.0012144100000000, 0.0002010500000000, 0.0011982500000000 ] - [ -0.0011112500000000, -0.0006373000000000, 0.0005782200000000 ] - [ -0.0005397600000000, -0.0003356100000000, 0.0001554700000000 ] - [ -0.0031305500000000, -0.0693089900000000, -0.0460584900000000 ] - [ 0.0001386500000000, -0.0002641600000000, -0.0001243000000000 ] - [ 0.0013790500000000, 0.0049229800000000, 0.0048466700000000 ] - [ -0.0001191600000000, 0.0004290300000000, -0.0005442100000000 ] - [ -0.0003004700000000, -0.0002745400000000, 0.0007098800000000 ] - [ -0.0019799700000000, -0.0008519800000000, -0.0019139000000000 ] - [ 0.0012179000000000, 0.0002658800000000, -0.0001073000000000 ] - [ 0.0006035200000000, 0.0001126400000000, 0.0009269200000000 ] - [ 0.0007442400000000, 0.0006070200000000, -0.0033940600000000 ] - [ 0.0000552800000000, -0.0014690500000000, 0.0025620900000000 ] - [ 0.0003220700000000, 0.0001030600000000, 0.0001526600000000 ] - [ 0.0005189600000000, 0.0002678000000000, 0.0000328000000000 ] - [ -0.0018039800000000, -0.0029162000000000, -0.0035420500000000 ] - [ -0.0000750600000000, -0.0005141200000000, -0.0000021700000000 ] - [ 0.0041329900000000, -0.0055904300000000, 0.0019457100000000 ] - [ 0.0012236800000000, -0.0015259500000000, -0.0013567000000000 ] - [ -0.0051116800000000, 0.0144559700000000, -0.0008611100000000 ] - [ -0.0003456000000000, 0.0001721500000000, -0.0001333000000000 ] - [ -0.0017635300000000, 0.0010455700000000, 0.0001340100000000 ] - [ -0.0001063500000000, 0.0006895900000000, -0.0004453900000000 ] - [ -0.0010370800000000, -0.0007991800000000, 0.0007346000000000 ] - [ 0.0000719000000000, 0.0000336400000000, -0.0002052500000000 ] - [ -0.0033758300000000, 0.0080930000000000, -0.0000150900000000 ] - [ 0.0000515500000000, 0.0003502100000000, -0.0002866900000000 ] - [ -0.0011962400000000, 0.0008317600000000, -0.0008246500000000 ] - [ -0.0009515000000000, 0.0009405300000000, 0.0001907300000000 ] - [ -0.0000146300000000, 0.0014412500000000, -0.0001065900000000 ] - [ -0.0002118600000000, 0.0024789200000000, -0.0021780500000000 ] - [ -0.0022303200000000, 0.0034471300000000, -0.0142202400000000 ] - [ 0.0000208700000000, -0.0002211300000000, 0.0003129600000000 ] - [ -0.0068858600000000, 0.0023821400000000, 0.0014770500000000 ] - [ 0.0000600600000000, -0.0002679100000000, -0.0002363900000000 ] - [ 0.0009024700000000, 0.0000988400000000, 0.0004584400000000 ] - [ 0.0008367000000000, 0.0004370500000000, -0.0004669400000000 ] - [ -0.0004280500000000, 0.0001004200000000, -0.0006703200000000 ] - [ -0.0013270800000000, 0.0001749700000000, 0.0005748700000000 ] - [ 0.0011025200000000, 0.0011436900000000, 0.0001391600000000 ] - [ 0.0002426800000000, 0.0003997500000000, -0.0001370700000000 ] - [ -0.0021546800000000, -0.0000376300000000, 0.0024457900000000 ] - [ -0.0000305100000000, -0.0001642200000000, -0.0007030400000000 ] - [ -0.0011818900000000, -0.0001394800000000, 0.0005502000000000 ] - [ -0.0006957100000000, 0.0000240100000000, -0.0002710000000000 ] - [ 0.0073508700000000, 0.0061468400000000, -0.0027524900000000 ] - [ 0.0001823900000000, 0.0003318100000000, -0.0000978300000000 ] - [ 0.1069489500000000, -0.1007229000000000, 0.0016483500000000 ] - [ -0.0002111400000000, -0.0002144300000000, -0.0000884500000000 ] - [ 0.0227181100000000, -0.0102916700000000, -0.0038385000000000 ] - [ 0.0005100500000000, -0.0004479200000000, -0.0003787200000000 ] - [ -0.0009437800000000, 0.0009472600000000, 0.0003917100000000 ] - [ -0.0002179300000000, 0.0000211600000000, 0.0001203600000000 ] - [ -0.0018703800000000, 0.0031302200000000, 0.0000965900000000 ] - [ -0.0003345900000000, 0.0003828100000000, 0.0003499500000000 ] - [ 0.0041897600000000, 0.0015088800000000, -0.0009980600000000 ] - [ -0.0005093400000000, -0.0002869300000000, -0.0003878000000000 ] - [ -0.0126226500000000, 0.0029205000000000, -0.0027988200000000 ] - [ 0.0000809300000000, 0.0001924900000000, 0.0001664700000000 ] - [ 0.0138066600000000, -0.0335173900000000, 0.0421005600000000 ] - [ -0.0002024800000000, -0.0005722800000000, 0.0001860700000000 ] - [ 0.0005741000000000, -0.0010644500000000, 0.0009876500000000 ] - [ -0.0001441300000000, -0.0003498800000000, 0.0002371900000000 ] - [ -0.0025695400000000, -0.0030730600000000, -0.0001342300000000 ] - [ 0.0001624900000000, -0.0003386800000000, -0.0001343600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0040082500000000, 0.0000928400000000, 0.0016820800000000 ] - [ -0.0008615800000000, -0.0001719700000000, 0.0016234200000000 ] - [ -0.0073137800000000, -0.0017170100000000, -0.0020395400000000 ] - [ 0.0001836900000000, -0.0000127800000000, 0.0016046200000000 ] - [ 0.0084441900000000, -0.0012202600000000, -0.0028149400000000 ] - [ -0.0000960800000000, -0.0001336600000000, 0.0015330300000000 ] - [ -0.0003147600000000, -0.0007313300000000, -0.0030571200000000 ] - [ 0.0001223700000000, 0.0002134900000000, 0.0015420400000000 ] - [ 0.0002755300000000, -0.0008459700000000, 0.0001136800000000 ] - [ 0.0002255800000000, 0.0003519200000000, 0.0011183000000000 ] - [ -0.0004264700000000, 0.0004827600000000, 0.0002534500000000 ] - [ -0.0000857300000000, -0.0002374700000000, 0.0010343000000000 ] - [ -0.0078346000000000, 0.0026455000000000, 0.0082399200000000 ] - [ 0.0007377600000000, -0.0002275400000000, 0.0024433100000000 ] - [ -0.0010113400000000, 0.0039309600000000, -0.0027502100000000 ] - [ -0.0001659900000000, -0.0000470900000000, 0.0015301200000000 ] - [ 0.0056229100000000, -0.0085947600000000, -0.2877931300000000 ] - [ -0.0000994200000000, -0.0002192200000000, 0.0039882500000000 ] - [ -0.0042210000000000, 0.0037042900000000, 0.0046971200000000 ] - [ 0.0010223700000000, -0.0009804300000000, 0.0034033100000000 ] - [ -0.0026325100000000, -0.0001850300000000, -0.0084820400000000 ] - [ 0.0000528400000000, 0.0000814600000000, 0.0030991200000000 ] - [ 0.0035514100000000, 0.0056358000000000, 0.0027775700000000 ] - [ -0.0006684100000000, -0.0008406300000000, 0.0025613200000000 ] - [ -0.0017087900000000, 0.0009387600000000, -0.0053102800000000 ] - [ 0.0003290900000000, -0.0001480700000000, 0.0030532200000000 ] - [ -0.0023651300000000, -0.0064960200000000, 0.0033952200000000 ] - [ 0.0000432300000000, 0.0020219200000000, 0.0046977500000000 ] - [ 0.0018683300000000, 0.0001822000000000, 0.0012527500000000 ] - [ -0.0000719900000000, -0.0000478900000000, 0.0012448200000000 ] - [ 0.0029172400000000, -0.0007216500000000, -0.0053140700000000 ] - [ -0.0002383700000000, 0.0004316600000000, 0.0030532900000000 ] - [ 0.0072638000000000, 0.0236204300000000, -0.0037991800000000 ] - [ 0.0003769400000000, -0.0002806700000000, 0.0039896600000000 ] - [ -0.0020723500000000, 0.0009391300000000, -0.0039203900000000 ] - [ 0.0012600200000000, -0.0004957300000000, 0.0031950500000000 ] - [ 0.0066002000000000, -0.0056720000000000, -0.0038348100000000 ] - [ -0.0008136600000000, 0.0004118000000000, 0.0041941700000000 ] - [ -0.0017086500000000, 0.0084607200000000, 0.0439270600000000 ] - [ -0.0003210500000000, -0.0008693100000000, 0.0059112900000000 ] - [ -0.0071479000000000, -0.0097825200000000, 0.0009343000000000 ] - [ 0.0000494000000000, 0.0000181200000000, 0.0040477400000000 ] - [ 0.0011534000000000, -0.0019964500000000, -0.0030910500000000 ] - [ -0.0005919800000000, 0.0001060000000000, 0.0035105800000000 ] - [ -0.0013511600000000, -0.0008146900000000, -0.0027823000000000 ] - [ 0.0000297200000000, -0.0005103100000000, 0.0031197800000000 ] - [ 0.0001109900000000, 0.0005862700000000, -0.0040656600000000 ] - [ -0.0005172800000000, 0.0000393300000000, 0.0032563200000000 ] - [ -0.0008503500000000, -0.0003036600000000, 0.0009711500000000 ] - [ 0.0000345500000000, 0.0003872500000000, -0.0010609900000000 ] - [ 0.0153888700000000, 0.0646246500000000, 0.0758119200000000 ] - [ 0.0000601400000000, -0.0003589800000000, -0.0021693400000000 ] - [ -0.0018116700000000, -0.0043233800000000, -0.0036002800000000 ] - [ -0.0000033300000000, 0.0010108500000000, -0.0030688000000000 ] - [ 0.0019832900000000, -0.0005950600000000, 0.0000496000000000 ] - [ -0.0010791000000000, -0.0003304700000000, -0.0014404700000000 ] - [ 0.0022658800000000, 0.0016719200000000, 0.0013311400000000 ] - [ -0.0011377900000000, -0.0006050000000000, -0.0017903300000000 ] - [ 0.0021095900000000, 0.0048652400000000, -0.0097762500000000 ] - [ -0.0003093200000000, 0.0004504300000000, -0.0042658100000000 ] - [ 0.0005038500000000, -0.0000624600000000, 0.0002111500000000 ] - [ 0.0001291100000000, -0.0001823800000000, -0.0010473800000000 ] - [ -0.0071778800000000, -0.0061165700000000, -0.0094279900000000 ] - [ 0.0001682300000000, 0.0006447100000000, -0.0022871100000000 ] - [ 0.0080862300000000, -0.0089918300000000, -0.0079312200000000 ] - [ 0.0000815200000000, 0.0003802400000000, -0.0017835300000000 ] - [ 0.0000322000000000, 0.0007170400000000, 0.0023287800000000 ] - [ -0.0001455500000000, -0.0006873200000000, -0.0018660500000000 ] - [ 0.0038025000000000, 0.0017037500000000, 0.0012583200000000 ] - [ -0.0006092000000000, 0.0007418300000000, -0.0019576900000000 ] - [ 0.0008639300000000, -0.0002945300000000, 0.0005557100000000 ] - [ -0.0001190700000000, 0.0003303100000000, -0.0022852100000000 ] - [ 0.0042447900000000, -0.0071771700000000, 0.0044435900000000 ] - [ -0.0003889600000000, 0.0005063300000000, -0.0017562900000000 ] - [ -0.0022131900000000, 0.0015717800000000, -0.0006168000000000 ] - [ -0.0001295100000000, -0.0000198700000000, -0.0015564100000000 ] - [ 0.0011135600000000, -0.0012262100000000, -0.0001149600000000 ] - [ 0.0004647800000000, 0.0009802600000000, -0.0016971900000000 ] - [ -0.0032716800000000, 0.0026481400000000, 0.0005963900000000 ] - [ 0.0007452200000000, -0.0010662900000000, -0.0042132300000000 ] - [ 0.0017497800000000, -0.0012299100000000, 0.0034107200000000 ] - [ 0.0003300800000000, 0.0000254300000000, -0.0016416200000000 ] - [ 0.0002710100000000, -0.0025366000000000, 0.0003960600000000 ] - [ 0.0000901700000000, 0.0006703400000000, -0.0014501900000000 ] - [ -0.0006802300000000, 0.0011639500000000, -0.0001905700000000 ] - [ 0.0009881700000000, -0.0012313100000000, -0.0020253600000000 ] - [ -0.0000837500000000, 0.0004775100000000, 0.0048004800000000 ] - [ -0.0001693000000000, 0.0003093000000000, -0.0029451900000000 ] - [ 0.0007452900000000, -0.0007571100000000, 0.0045304200000000 ] - [ 0.0002640500000000, -0.0001309200000000, -0.0029614200000000 ] - [ -0.0017107100000000, -0.0007795600000000, 0.0007459600000000 ] - [ 0.0004801500000000, -0.0004718700000000, -0.0015129300000000 ] - [ -0.0063985800000000, -0.0043048800000000, 0.0075871400000000 ] - [ 0.0007806000000000, 0.0004462500000000, -0.0019369300000000 ] - [ 0.0009511000000000, -0.0013022500000000, 0.0210239800000000 ] - [ -0.0006863600000000, 0.0004113600000000, -0.0021356700000000 ] - [ -0.0312147200000000, -0.0149421100000000, 0.0297093400000000 ] - [ 0.0008329100000000, 0.0000562000000000, -0.0021605400000000 ] - [ -0.0006107800000000, 0.0001200700000000, 0.0015321900000000 ] - [ -0.0004056400000000, 0.0002740600000000, -0.0012515500000000 ] - [ -0.0007120800000000, 0.0018423600000000, 0.0061875000000000 ] - [ 0.0000879600000000, -0.0000267000000000, -0.0028174200000000 ] - [ -0.0018407000000000, 0.0033528700000000, 0.0022954100000000 ] - [ -0.0002946600000000, -0.0009004300000000, -0.0019652500000000 ] - [ 0.0002141800000000, -0.0004297400000000, 0.0022825400000000 ] - [ 0.0007304500000000, 0.0002901700000000, -0.0014987100000000 ] - [ 0.0098235700000000, -0.0417820800000000, 0.1293493500000000 ] - [ -0.0001252800000000, -0.0000972400000000, -0.0041346100000000 ] - [ 0.0014629200000000, 0.0011301500000000, 0.0000800600000000 ] - [ -0.0006329600000000, -0.0010164300000000, -0.0033596300000000 ] - [ 0.0012917300000000, 0.0002439900000000, 0.0029100400000000 ] - [ 0.0000307400000000, -0.0006633600000000, -0.0016712400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0039847800000000, -0.0000838400000000, -0.0014165800000000 ] - [ 0.0008621500000000, 0.0001744700000000, -0.0013529400000000 ] - [ 0.0073319600000000, 0.0017265200000000, 0.0023389700000000 ] - [ -0.0001815400000000, 0.0000133000000000, -0.0013325500000000 ] - [ -0.0082964300000000, 0.0009252600000000, 0.0029030900000000 ] - [ 0.0002626900000000, -0.0001691200000000, -0.0014725400000000 ] - [ 0.0004946100000000, 0.0010359200000000, 0.0031253600000000 ] - [ 0.0000582300000000, 0.0000920800000000, -0.0014823800000000 ] - [ 0.0000640300000000, 0.0008293700000000, -0.0000636700000000 ] - [ 0.0001158800000000, -0.0003647900000000, -0.0010591700000000 ] - [ 0.0002456000000000, -0.0007891400000000, -0.0002026200000000 ] - [ -0.0000961300000000, -0.0000696900000000, -0.0009734100000000 ] - [ 0.0075590300000000, -0.0022878100000000, -0.0080994700000000 ] - [ -0.0009069800000000, 0.0005364200000000, -0.0023850900000000 ] - [ 0.0006745100000000, -0.0039365800000000, 0.0028360300000000 ] - [ -0.0001736800000000, 0.0000552000000000, -0.0014699900000000 ] - [ -0.0053321000000000, 0.0008408100000000, 0.2949637200000000 ] - [ -0.0003305500000000, 0.0001927100000000, -0.0040452200000000 ] - [ 0.0040584700000000, -0.0041248200000000, -0.0047789700000000 ] - [ -0.0012032800000000, 0.0005868500000000, -0.0034428600000000 ] - [ 0.0026302600000000, 0.0001808300000000, 0.0082123500000000 ] - [ -0.0000595400000000, -0.0000801200000000, -0.0033813200000000 ] - [ -0.0035649900000000, -0.0056642100000000, -0.0030632900000000 ] - [ 0.0006650200000000, 0.0008257500000000, -0.0028466900000000 ] - [ 0.0019523000000000, -0.0013019500000000, 0.0052662000000000 ] - [ -0.0000892000000000, -0.0002118700000000, -0.0031144700000000 ] - [ 0.0021250400000000, 0.0068536100000000, -0.0034502900000000 ] - [ -0.0002748200000000, -0.0016372400000000, -0.0047779000000000 ] - [ -0.0014392000000000, -0.0001553200000000, -0.0013078500000000 ] - [ 0.0004976300000000, 0.0000726100000000, -0.0013163100000000 ] - [ -0.0027252400000000, 0.0011203900000000, 0.0052623500000000 ] - [ 0.0004324300000000, -0.0000448400000000, -0.0031144500000000 ] - [ -0.0066845600000000, -0.0233701300000000, 0.0037924900000000 ] - [ 0.0002049900000000, 0.0004961800000000, -0.0040002500000000 ] - [ 0.0025454600000000, -0.0013334200000000, 0.0039258700000000 ] - [ -0.0007853000000000, 0.0001087500000000, -0.0032125200000000 ] - [ -0.0070677400000000, 0.0060714300000000, 0.0036685300000000 ] - [ 0.0003437100000000, -0.0000287300000000, -0.0042138300000000 ] - [ 0.0017548400000000, -0.0076512000000000, -0.0442733300000000 ] - [ 0.0004135700000000, 0.0014758400000000, -0.0059054800000000 ] - [ 0.0071513000000000, 0.0097838300000000, -0.0010722300000000 ] - [ -0.0000453000000000, -0.0000195400000000, -0.0040926000000000 ] - [ -0.0011514200000000, 0.0019893000000000, 0.0030682900000000 ] - [ 0.0005905800000000, -0.0001071300000000, -0.0035528500000000 ] - [ 0.0012670200000000, 0.0002012900000000, 0.0027488300000000 ] - [ -0.0001259800000000, -0.0001018500000000, -0.0031316200000000 ] - [ -0.0006864500000000, -0.0008005800000000, 0.0040731000000000 ] - [ -0.0000588900000000, -0.0002521200000000, -0.0032734700000000 ] - [ 0.0006225000000000, 0.0006988100000000, -0.0006057600000000 ] - [ -0.0002634200000000, 0.0000055900000000, 0.0014367100000000 ] - [ -0.0143472100000000, -0.0617785200000000, -0.0736378500000000 ] - [ 0.0001690600000000, -0.0000340000000000, 0.0025372200000000 ] - [ 0.0013906100000000, 0.0046988800000000, 0.0035695600000000 ] - [ -0.0004364500000000, -0.0006613400000000, 0.0029900000000000 ] - [ -0.0021284300000000, -0.0000120000000000, 0.0000034900000000 ] - [ 0.0009414600000000, -0.0002789200000000, 0.0014990600000000 ] - [ -0.0024909100000000, -0.0020689700000000, -0.0009682500000000 ] - [ 0.0009155500000000, 0.0002043800000000, 0.0021604500000000 ] - [ -0.0025400800000000, -0.0044622500000000, 0.0097800500000000 ] - [ -0.0001542700000000, -0.0000455300000000, 0.0043018000000000 ] - [ 0.0000931200000000, 0.0002478400000000, -0.0001611700000000 ] - [ 0.0004676400000000, 0.0003661000000000, 0.0011014000000000 ] - [ 0.0069949500000000, 0.0067319900000000, 0.0092529700000000 ] - [ -0.0003645000000000, -0.0000175200000000, 0.0020702600000000 ] - [ -0.0076696100000000, 0.0090264000000000, 0.0083744400000000 ] - [ 0.0003770500000000, -0.0003798500000000, 0.0021522600000000 ] - [ -0.0006617200000000, -0.0006144600000000, -0.0025194500000000 ] - [ -0.0004921400000000, 0.0008259600000000, 0.0016555700000000 ] - [ -0.0037055600000000, -0.0004447100000000, -0.0017921600000000 ] - [ 0.0007374500000000, 0.0005417700000000, 0.0014213400000000 ] - [ -0.0003424400000000, 0.0004984300000000, -0.0006141800000000 ] - [ 0.0006402700000000, -0.0001302600000000, 0.0022109800000000 ] - [ -0.0038030000000000, 0.0076685300000000, -0.0046566300000000 ] - [ 0.0008303000000000, -0.0000207100000000, 0.0015463600000000 ] - [ 0.0011663100000000, -0.0008175700000000, 0.0000768800000000 ] - [ -0.0009139500000000, 0.0007812100000000, 0.0010242700000000 ] - [ 0.0000582400000000, 0.0017687100000000, -0.0004247300000000 ] - [ 0.0007136900000000, -0.0004459400000000, 0.0011594500000000 ] - [ 0.0031418300000000, -0.0031550400000000, -0.0006370100000000 ] - [ -0.0008316300000000, 0.0005246800000000, 0.0041529900000000 ] - [ -0.0015564200000000, 0.0006118200000000, -0.0036104100000000 ] - [ -0.0001270100000000, -0.0006454600000000, 0.0014304800000000 ] - [ 0.0003665500000000, 0.0024113400000000, -0.0006122700000000 ] - [ 0.0005510900000000, -0.0008011400000000, 0.0012404700000000 ] - [ 0.0005506700000000, -0.0024459300000000, -0.0003512100000000 ] - [ -0.0011177200000000, -0.0000521200000000, 0.0014927700000000 ] - [ 0.0001672600000000, 0.0000665500000000, -0.0048854700000000 ] - [ 0.0002522000000000, 0.0002355000000000, 0.0028746500000000 ] - [ -0.0003069100000000, 0.0004099000000000, -0.0046258200000000 ] - [ 0.0001736800000000, -0.0002179300000000, 0.0028860600000000 ] - [ 0.0012740300000000, 0.0002909500000000, -0.0009626600000000 ] - [ -0.0009244200000000, -0.0000114600000000, 0.0013074100000000 ] - [ 0.0065249200000000, 0.0049085900000000, -0.0075334400000000 ] - [ -0.0006507500000000, 0.0001619000000000, 0.0019911600000000 ] - [ -0.0022228300000000, 0.0017459200000000, -0.0210696000000000 ] - [ 0.0000866900000000, -0.0005946300000000, 0.0021834100000000 ] - [ 0.0323605000000000, 0.0143178200000000, -0.0306787800000000 ] - [ 0.0002136500000000, -0.0008146900000000, 0.0016257500000000 ] - [ 0.0001498100000000, -0.0001247000000000, -0.0011547900000000 ] - [ -0.0000552400000000, -0.0002718200000000, 0.0016246500000000 ] - [ 0.0007144600000000, -0.0018368600000000, -0.0049319900000000 ] - [ -0.0000854300000000, 0.0000317400000000, 0.0040950100000000 ] - [ 0.0006544800000000, -0.0039163700000000, -0.0028215600000000 ] - [ -0.0008812600000000, 0.0003725100000000, 0.0014304700000000 ] - [ 0.0000353500000000, 0.0008181600000000, -0.0018808200000000 ] - [ -0.0005074100000000, 0.0001069100000000, 0.0018704800000000 ] - [ -0.0111609700000000, 0.0450554900000000, -0.1376935600000000 ] - [ -0.0003945500000000, -0.0001062700000000, 0.0040542200000000 ] - [ -0.0014539900000000, -0.0011276100000000, 0.0012326600000000 ] - [ 0.0006319100000000, 0.0010155100000000, 0.0046396400000000 ] - [ -0.0008410100000000, -0.0006601800000000, -0.0028582200000000 ] - [ 0.0004267500000000, 0.0002422100000000, 0.0017240600000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0019254900000000, -0.0010467500000000, 0.0001393200000000 ] - [ 0.0000940700000000, 0.0000072000000000, 0.0001346000000000 ] - [ 0.0011621300000000, -0.0005391900000000, 0.0001332800000000 ] - [ 0.0001772300000000, -0.0001343200000000, 0.0001359000000000 ] - [ -0.0021350200000000, 0.0016534900000000, 0.0022145600000000 ] - [ -0.0000411500000000, -0.0001218800000000, -0.0000906100000000 ] - [ 0.0057075400000000, 0.0036460000000000, -0.0073052300000000 ] - [ 0.0000790200000000, 0.0003189700000000, 0.0003051800000000 ] - [ 0.0033771000000000, -0.0009424300000000, -0.0033249900000000 ] - [ 0.0001446300000000, -0.0000502300000000, 0.0001475100000000 ] - [ 0.0003437600000000, 0.0044649000000000, 0.0037107400000000 ] - [ -0.0000970100000000, -0.0001281800000000, -0.0000489600000000 ] - [ -0.0030826500000000, -0.0004173900000000, -0.0002804100000000 ] - [ -0.0001589700000000, 0.0001479000000000, -0.0000089900000000 ] - [ 0.0029842100000000, -0.0041127700000000, 0.0051370300000000 ] - [ -0.0001085900000000, -0.0000004000000000, -0.0001258400000000 ] - [ -0.0004104700000000, -0.0094242600000000, -0.0026728600000000 ] - [ -0.0001935200000000, -0.0001403800000000, 0.0000258900000000 ] - [ -0.0004131800000000, -0.0003941900000000, 0.0003593600000000 ] - [ -0.0013500800000000, -0.0003918400000000, -0.0031465800000000 ] - [ -0.2957004500000000, -0.0012050100000000, -0.0030955100000000 ] - [ -0.0000876500000000, 0.0000012600000000, -0.0001408000000000 ] - [ 0.0005846700000000, -0.0004105400000000, -0.0001434500000000 ] - [ 0.0005874800000000, 0.0004119000000000, -0.0001358000000000 ] - [ -0.0012832900000000, 0.0081093400000000, 0.0014429200000000 ] - [ 0.0001076600000000, -0.0001036200000000, -0.0001280300000000 ] - [ -0.0000663700000000, 0.0002667900000000, -0.0010901800000000 ] - [ -0.0008448600000000, -0.0013923400000000, 0.0066479000000000 ] - [ -0.0001390600000000, 0.0002884000000000, 0.0006357900000000 ] - [ 0.0004238700000000, -0.0004145700000000, -0.0035901200000000 ] - [ 0.0145837900000000, 0.0006942700000000, 0.0011229500000000 ] - [ 0.0002782200000000, 0.0001986500000000, 0.0000116200000000 ] - [ 0.0407781800000000, -0.0201991500000000, 0.0130127800000000 ] - [ 0.0002451700000000, 0.0001121600000000, -0.0000243500000000 ] - [ 0.0030361000000000, -0.0002059100000000, 0.0030266100000000 ] - [ 0.0025871700000000, -0.0003096500000000, -0.0005043300000000 ] - [ -0.0043297000000000, -0.0208070700000000, -0.0051176900000000 ] - [ -0.0002447100000000, 0.0001719000000000, -0.0000315900000000 ] - [ 0.0004440000000000, -0.0011928500000000, -0.0018791700000000 ] - [ -0.0001312900000000, -0.0016019000000000, 0.0007415900000000 ] - [ 0.0053714600000000, -0.0002053500000000, -0.0000129600000000 ] - [ 0.0000135300000000, -0.0000127200000000, -0.0000227800000000 ] - [ 0.0004827500000000, -0.0000172600000000, -0.0000047100000000 ] - [ -0.0034766000000000, -0.0000586600000000, -0.0000241800000000 ] - [ 0.0175865400000000, 0.0174289300000000, -0.0077983900000000 ] - [ -0.0000922200000000, -0.0003450500000000, 0.0000348700000000 ] - [ 0.0000259400000000, 0.0012182700000000, -0.0012043100000000 ] - [ -0.0007517600000000, 0.0010710500000000, -0.0002545500000000 ] - [ -0.0004453700000000, -0.0008174900000000, -0.0000501000000000 ] - [ -0.0001603500000000, -0.0003615500000000, 0.0009842400000000 ] - [ -0.0032672400000000, 0.0143990500000000, -0.0007694700000000 ] - [ 0.0001223000000000, -0.0001672900000000, 0.0002065200000000 ] - [ -0.0082530500000000, 0.0027559600000000, -0.0103282100000000 ] - [ -0.0002035600000000, 0.0001209900000000, 0.0000522800000000 ] - [ 0.0000708000000000, -0.0004354500000000, 0.0002490600000000 ] - [ 0.0007456400000000, -0.0005904600000000, 0.0004368100000000 ] - [ -0.0022624200000000, -0.0003067500000000, 0.0005464700000000 ] - [ -0.0016092000000000, -0.0003620900000000, -0.0012802300000000 ] - [ -0.0003363700000000, 0.0003903600000000, 0.0004814000000000 ] - [ 0.0001857200000000, 0.0022654900000000, -0.0016882200000000 ] - [ 0.0000345000000000, -0.0000932600000000, -0.0006401400000000 ] - [ -0.0011172700000000, 0.0006315300000000, 0.0013229900000000 ] - [ 0.0002119300000000, 0.0007187600000000, 0.0002505200000000 ] - [ 0.0002048400000000, 0.0006103800000000, -0.0000642500000000 ] - [ -0.0002275400000000, 0.0010193500000000, 0.0000736500000000 ] - [ -0.0001960400000000, 0.0008935100000000, 0.0008545100000000 ] - [ 0.0601454300000000, -0.0568592800000000, -0.0233870200000000 ] - [ -0.0002963800000000, 0.0000613600000000, -0.0001054900000000 ] - [ -0.0031897400000000, -0.0034963400000000, -0.0006336100000000 ] - [ 0.0000790400000000, 0.0005965000000000, -0.0002588200000000 ] - [ -0.0017912700000000, -0.0023904000000000, 0.0047164200000000 ] - [ 0.0003379600000000, 0.0000601100000000, -0.0001253600000000 ] - [ 0.1438023600000000, 0.0139475900000000, 0.0411277800000000 ] - [ 0.0002985900000000, 0.0002261100000000, -0.0000949300000000 ] - [ -0.0002321800000000, 0.0010711400000000, 0.0000613200000000 ] - [ 0.0007420400000000, 0.0009379500000000, 0.0007136400000000 ] - [ 0.0011485300000000, -0.0005716200000000, 0.0002067000000000 ] - [ 0.0015930600000000, -0.0002286800000000, 0.0009620200000000 ] - [ -0.0006794800000000, 0.0049944000000000, 0.0055400500000000 ] - [ -0.0000085600000000, -0.0002598200000000, -0.0000327600000000 ] - [ 0.0383626900000000, 0.0444777500000000, -0.0157263200000000 ] - [ 0.0001605700000000, -0.0002738500000000, -0.0001189800000000 ] - [ -0.0003238200000000, 0.0004054600000000, -0.0008884700000000 ] - [ -0.0003794600000000, -0.0001097900000000, 0.0001458100000000 ] - [ 0.0017332000000000, -0.0004792800000000, -0.0011124000000000 ] - [ 0.0019885000000000, -0.0008351500000000, -0.0024734800000000 ] - [ -0.0044903600000000, 0.0000338100000000, -0.0027592600000000 ] - [ -0.0003397500000000, 0.0003109200000000, 0.0001370800000000 ] - [ 0.0005648700000000, -0.0027768700000000, 0.0006953600000000 ] - [ 0.0002988500000000, -0.0003953900000000, 0.0001284700000000 ] - [ -0.0004429600000000, -0.0006280100000000, 0.0003280000000000 ] - [ -0.0001189400000000, -0.0009866400000000, -0.0004036200000000 ] - [ -0.0152636500000000, 0.0019259300000000, 0.0026342000000000 ] - [ -0.0000114600000000, 0.0003083400000000, -0.0000601300000000 ] - [ -0.0033690600000000, 0.0092997800000000, -0.0009745600000000 ] - [ -0.0003314000000000, -0.0000332000000000, 0.0000513100000000 ] - [ 0.0011453300000000, -0.0006192500000000, -0.0001861400000000 ] - [ 0.0005655500000000, -0.0003412500000000, -0.0002855600000000 ] - [ -0.0089323800000000, -0.0016536300000000, 0.0008641500000000 ] - [ -0.0002671200000000, 0.0000155100000000, 0.0001307900000000 ] - [ 0.0169543800000000, -0.0002637900000000, 0.0012017000000000 ] - [ 0.0006121700000000, 0.0000017500000000, 0.0006409200000000 ] - [ -0.0052761500000000, 0.0008904800000000, 0.0000100500000000 ] - [ -0.0006289700000000, -0.0002470000000000, -0.0002570700000000 ] - [ 0.0081626300000000, 0.0020186800000000, 0.0004396100000000 ] - [ 0.0001160600000000, 0.0001844500000000, 0.0002209400000000 ] - [ -0.0003148700000000, 0.0027228500000000, 0.0019934500000000 ] - [ -0.0001867300000000, 0.0002102400000000, -0.0003739600000000 ] - [ -0.0012678100000000, -0.0003453000000000, 0.0006334700000000 ] - [ -0.0000954100000000, 0.0000932200000000, 0.0006418200000000 ] - [ -0.0022841000000000, -0.0053360600000000, -0.0016009000000000 ] - [ 0.0002197900000000, -0.0002203200000000, 0.0000828700000000 ]- atom: 21 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0019248300000000, 0.0010387900000000, 0.0001391900000000 ] - [ -0.0000940000000000, -0.0000087600000000, 0.0001344400000000 ] - [ -0.0011613400000000, 0.0005299000000000, 0.0001330800000000 ] - [ -0.0001768300000000, 0.0001331200000000, 0.0001357300000000 ] - [ 0.0023139200000000, -0.0019228200000000, -0.0021422900000000 ] - [ 0.0002081300000000, -0.0001751800000000, 0.0001496800000000 ] - [ -0.0054822800000000, -0.0033052800000000, 0.0073041600000000 ] - [ 0.0000961700000000, -0.0000185600000000, -0.0002455000000000 ] - [ -0.0030391000000000, 0.0009468600000000, 0.0034072800000000 ] - [ 0.0001954700000000, 0.0000414300000000, -0.0000895400000000 ] - [ -0.0005243000000000, -0.0047619100000000, -0.0036388100000000 ] - [ -0.0000805200000000, -0.0001727300000000, 0.0001092800000000 ] - [ 0.0029009600000000, 0.0007250600000000, 0.0003369200000000 ] - [ -0.0000099600000000, 0.0001530900000000, 0.0000694400000000 ] - [ -0.0033185700000000, 0.0041690800000000, -0.0051153000000000 ] - [ -0.0002238900000000, 0.0000085600000000, 0.0001847000000000 ] - [ -0.0000350500000000, 0.0093633400000000, 0.0025897900000000 ] - [ -0.0002365400000000, 0.0001124600000000, -0.0000862600000000 ] - [ 0.0002212700000000, -0.0000112400000000, -0.0004169000000000 ] - [ 0.0011539900000000, 0.0000000800000000, 0.0030805900000000 ] - [ 0.2871220900000000, -0.0012063300000000, -0.0030344300000000 ] - [ 0.0000797600000000, 0.0000014300000000, -0.0001407900000000 ] - [ -0.0005842000000000, 0.0004150700000000, -0.0001434200000000 ] - [ -0.0005816200000000, -0.0004131300000000, -0.0001359600000000 ] - [ 0.0015096400000000, -0.0084543200000000, -0.0015051700000000 ] - [ 0.0001313000000000, -0.0002573100000000, 0.0000680200000000 ] - [ -0.0001914400000000, 0.0000986000000000, 0.0010198000000000 ] - [ 0.0005999200000000, 0.0017513400000000, -0.0066960000000000 ] - [ 0.0005924200000000, -0.0002622600000000, -0.0006974800000000 ] - [ 0.0000144600000000, 0.0004355100000000, 0.0035267900000000 ] - [ -0.0144480600000000, -0.0002881200000000, -0.0011915100000000 ] - [ -0.0000836600000000, 0.0001898100000000, -0.0000715500000000 ] - [ -0.0399199400000000, 0.0204719200000000, -0.0128601000000000 ] - [ 0.0003330700000000, 0.0001029600000000, 0.0000082800000000 ] - [ -0.0025693100000000, -0.0001731500000000, -0.0030943100000000 ] - [ -0.0021129600000000, -0.0000716700000000, 0.0004962200000000 ] - [ 0.0038428700000000, 0.0211628400000000, 0.0051155000000000 ] - [ -0.0002297200000000, 0.0002103500000000, 0.0000184400000000 ] - [ -0.0003500700000000, 0.0018038500000000, 0.0018543400000000 ] - [ 0.0002259700000000, 0.0022102800000000, -0.0007535900000000 ] - [ -0.0053694400000000, 0.0002368900000000, -0.0000126200000000 ] - [ -0.0000085000000000, 0.0000128300000000, -0.0000224300000000 ] - [ -0.0004853200000000, 0.0000178900000000, -0.0000038700000000 ] - [ 0.0034671000000000, 0.0000584100000000, -0.0000237500000000 ] - [ -0.0175511300000000, -0.0182147100000000, 0.0078393600000000 ] - [ -0.0000006600000000, -0.0002677100000000, -0.0000477700000000 ] - [ -0.0006079800000000, -0.0014327300000000, 0.0011825100000000 ] - [ 0.0001711700000000, -0.0012830300000000, 0.0002396600000000 ] - [ 0.0002125300000000, 0.0012141000000000, 0.0004243000000000 ] - [ -0.0000684900000000, 0.0007581700000000, -0.0006096600000000 ] - [ 0.0034735400000000, -0.0147337700000000, 0.0011233000000000 ] - [ 0.0001072400000000, -0.0002266800000000, 0.0001647000000000 ] - [ 0.0078271200000000, -0.0024251200000000, 0.0102723100000000 ] - [ -0.0002309700000000, 0.0002278800000000, -0.0001221700000000 ] - [ -0.0001990700000000, -0.0001688800000000, -0.0001916700000000 ] - [ -0.0008741900000000, -0.0000164600000000, -0.0003797000000000 ] - [ 0.0020470100000000, -0.0000883700000000, -0.0001582500000000 ] - [ 0.0013865700000000, -0.0000360100000000, 0.0016461700000000 ] - [ -0.0001181400000000, 0.0000284100000000, -0.0004224300000000 ] - [ -0.0006419000000000, -0.0018419200000000, 0.0017344300000000 ] - [ 0.0005525500000000, 0.0002832100000000, 0.0007061800000000 ] - [ 0.0017128300000000, -0.0004478800000000, -0.0012813300000000 ] - [ -0.0004108600000000, -0.0001011200000000, -0.0004594700000000 ] - [ -0.0004093200000000, 0.0000094900000000, -0.0001491200000000 ] - [ 0.0006839000000000, -0.0010166400000000, 0.0003043200000000 ] - [ 0.0006585100000000, -0.0008969200000000, -0.0004777200000000 ] - [ -0.0616333000000000, 0.0593782800000000, 0.0241237900000000 ] - [ -0.0003413300000000, 0.0000741800000000, -0.0001084800000000 ] - [ 0.0033143100000000, 0.0047641500000000, 0.0000908100000000 ] - [ 0.0000466300000000, 0.0006859700000000, -0.0002772000000000 ] - [ 0.0022708200000000, 0.0025893400000000, -0.0047620600000000 ] - [ 0.0001791400000000, 0.0001380100000000, 0.0000539100000000 ] - [ -0.1344807700000000, -0.0125596800000000, -0.0380353500000000 ] - [ 0.0001443800000000, 0.0002592100000000, -0.0001152000000000 ] - [ -0.0008327900000000, -0.0003388900000000, -0.0006287900000000 ] - [ -0.0017914200000000, -0.0001788300000000, -0.0012422800000000 ] - [ 0.0000070400000000, 0.0011219200000000, -0.0007711900000000 ] - [ -0.0004162800000000, 0.0007590600000000, -0.0014924800000000 ] - [ 0.0005921600000000, -0.0055146300000000, -0.0055830200000000 ] - [ -0.0000758200000000, -0.0002819600000000, -0.0000397800000000 ] - [ -0.0380021800000000, -0.0460604200000000, 0.0158675100000000 ] - [ 0.0000421500000000, -0.0003465800000000, -0.0000937000000000 ] - [ 0.0009585200000000, -0.0005531300000000, 0.0006887200000000 ] - [ 0.0010192700000000, -0.0000241800000000, -0.0003623700000000 ] - [ -0.0018252500000000, -0.0008053300000000, 0.0005542500000000 ] - [ -0.0021057000000000, -0.0004455000000000, 0.0019358000000000 ] - [ 0.0046091000000000, 0.0005103600000000, 0.0027402100000000 ] - [ 0.0004241400000000, 0.0002323500000000, -0.0002096700000000 ] - [ -0.0001190100000000, 0.0024241400000000, -0.0007632800000000 ] - [ 0.0001388400000000, 0.0000449400000000, -0.0002030900000000 ] - [ 0.0000055100000000, 0.0001336400000000, -0.0005366400000000 ] - [ -0.0003227300000000, 0.0004991000000000, 0.0001915100000000 ] - [ 0.0153990000000000, -0.0013351700000000, -0.0026021100000000 ] - [ 0.0001433200000000, 0.0003000600000000, 0.0001127100000000 ] - [ 0.0027580800000000, -0.0094436700000000, 0.0010175200000000 ] - [ -0.0002687400000000, -0.0001481400000000, -0.0000061000000000 ] - [ -0.0000925000000000, -0.0001526000000000, -0.0003486300000000 ] - [ 0.0004806900000000, -0.0004156400000000, -0.0002480300000000 ] - [ 0.0084770000000000, 0.0017220900000000, -0.0005197100000000 ] - [ -0.0001974400000000, -0.0000106800000000, 0.0002441400000000 ] - [ -0.0169047200000000, 0.0002756000000000, 0.0012009200000000 ] - [ -0.0006077100000000, 0.0000029300000000, 0.0006402600000000 ] - [ 0.0041076400000000, -0.0014507000000000, -0.0005534100000000 ] - [ -0.0005451600000000, -0.0002846300000000, -0.0002779000000000 ] - [ -0.0079174500000000, -0.0016215800000000, -0.0000695700000000 ] - [ 0.0001122500000000, 0.0002141400000000, 0.0001495200000000 ] - [ -0.0001990000000000, -0.0029122100000000, -0.0020490600000000 ] - [ -0.0003342900000000, -0.0004111000000000, 0.0003015200000000 ] - [ 0.0012641000000000, 0.0003339400000000, 0.0006331100000000 ] - [ 0.0000921700000000, -0.0000992400000000, 0.0006415000000000 ] - [ 0.0027029400000000, 0.0049099900000000, 0.0016443100000000 ] - [ 0.0002370900000000, -0.0002011700000000, -0.0000309300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0004870100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010034500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024442500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015018700000000 ] - [ 0.0020019600000000, 0.0070365100000000, -0.0036626900000000 ] - [ 0.0000430800000000, -0.0003343000000000, 0.0016360000000000 ] - [ -0.0070947800000000, -0.0017845100000000, -0.0036626900000000 ] - [ 0.0002679700000000, 0.0002044600000000, 0.0016360000000000 ] - [ -0.0026748400000000, 0.0009943500000000, 0.0017588700000000 ] - [ 0.0011582000000000, -0.0001682400000000, 0.0017025400000000 ] - [ 0.0021985500000000, 0.0018193000000000, 0.0017588700000000 ] - [ -0.0007248000000000, -0.0009189200000000, 0.0017025400000000 ] - [ 0.0004762800000000, -0.0028136500000000, 0.0017588700000000 ] - [ -0.0004334100000000, 0.0010871500000000, 0.0017025400000000 ] - [ 0.0050928200000000, -0.0052520000000000, -0.0036626900000000 ] - [ -0.0003110500000000, 0.0001298400000000, 0.0016360000000000 ] - [ -0.0015987900000000, 0.0003090600000000, -0.0083692100000000 ] - [ -0.0000456900000000, -0.0002087600000000, 0.0032092800000000 ] - [ 0.0004729600000000, -0.0075058200000000, 0.0026720600000000 ] - [ -0.0001635900000000, 0.0014526500000000, 0.0028844800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2906863300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040769100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009395100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009328100000000 ] - [ 0.0005317400000000, -0.0015391300000000, -0.0083692100000000 ] - [ 0.0002036300000000, 0.0000648100000000, 0.0032092800000000 ] - [ -0.0067367100000000, 0.0033433100000000, 0.0026720600000000 ] - [ 0.0013398200000000, -0.0005846500000000, 0.0028844800000000 ] - [ 0.0062637500000000, 0.0041625100000000, 0.0026720600000000 ] - [ -0.0011762400000000, -0.0008680000000000, 0.0028844800000000 ] - [ 0.0010670500000000, 0.0012300600000000, -0.0083692100000000 ] - [ -0.0001579400000000, 0.0001439500000000, 0.0032092800000000 ] - [ 0.0144147600000000, -0.0057505600000000, 0.0014772300000000 ] - [ 0.0003503900000000, 0.0004588900000000, 0.0040687800000000 ] - [ 0.0011396300000000, -0.0006358700000000, -0.0025040700000000 ] - [ 0.0003224500000000, 0.0001139000000000, 0.0034807800000000 ] - [ -0.0022272500000000, 0.0153588300000000, 0.0014772300000000 ] - [ -0.0005726100000000, 0.0000740000000000, 0.0040687800000000 ] - [ -0.0000191400000000, 0.0013048900000000, -0.0025040700000000 ] - [ -0.0002598700000000, 0.0002223000000000, 0.0034807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010896000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0449885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0059892200000000 ] - [ -0.0121875100000000, -0.0096082700000000, 0.0014772300000000 ] - [ 0.0002222200000000, -0.0005328900000000, 0.0040687800000000 ] - [ -0.0011205000000000, -0.0006690200000000, -0.0025040700000000 ] - [ -0.0000625900000000, -0.0003362000000000, 0.0034807800000000 ] - [ -0.0011911100000000, -0.0012060100000000, 0.0014202300000000 ] - [ 0.0001220700000000, 0.0008183700000000, -0.0014442100000000 ] - [ -0.0018541600000000, 0.0038221300000000, 0.0020121200000000 ] - [ 0.0000179400000000, -0.0007313000000000, -0.0015295800000000 ] - [ -0.0018359400000000, 0.0004585500000000, -0.0013337000000000 ] - [ 0.0008993400000000, -0.0003700300000000, -0.0035343100000000 ] - [ 0.0008859500000000, 0.0013791300000000, 0.0000575300000000 ] - [ -0.0008220400000000, -0.0008202900000000, -0.0016308000000000 ] - [ 0.0016399900000000, -0.0004285200000000, 0.0014202300000000 ] - [ -0.0007697600000000, -0.0003034700000000, -0.0014442100000000 ] - [ 0.0007513900000000, -0.0014568300000000, 0.0000575300000000 ] - [ -0.0002993700000000, 0.0011220500000000, -0.0016308000000000 ] - [ -0.0016373400000000, 0.0000776900000000, 0.0000575300000000 ] - [ 0.0011214100000000, -0.0003017600000000, -0.0016308000000000 ] - [ 0.0000208400000000, -0.0005215100000000, 0.0002992800000000 ] - [ -0.0002818000000000, 0.0003852000000000, -0.0012368800000000 ] - [ -0.0004488800000000, 0.0016345300000000, 0.0014202300000000 ] - [ 0.0006476900000000, -0.0005149000000000, -0.0014442100000000 ] - [ -0.0241771600000000, 0.0321605700000000, 0.0330241500000000 ] - [ -0.0001938100000000, -0.0003742300000000, -0.0021047900000000 ] - [ -0.0001654200000000, -0.0000308900000000, 0.0018472100000000 ] - [ -0.0003025000000000, 0.0007210700000000, -0.0016976600000000 ] - [ 0.0013150900000000, 0.0013607000000000, -0.0013337000000000 ] - [ -0.0007701300000000, -0.0005938300000000, -0.0035343100000000 ] - [ 0.0399404500000000, 0.0048577500000000, 0.0330241500000000 ] - [ -0.0002271800000000, 0.0003549600000000, -0.0021047900000000 ] - [ -0.0054309800000000, -0.0076923300000000, -0.0109323100000000 ] - [ -0.0002543700000000, 0.0006172900000000, -0.0029055200000000 ] - [ -0.0039462700000000, 0.0085495300000000, -0.0109323100000000 ] - [ 0.0006617700000000, -0.0000883500000000, -0.0029055200000000 ] - [ 0.0005208500000000, -0.0018192500000000, -0.0013337000000000 ] - [ -0.0001292100000000, 0.0009638700000000, -0.0035343100000000 ] - [ -0.0157632900000000, -0.0370183200000000, 0.0330241500000000 ] - [ 0.0004210000000000, 0.0000192600000000, -0.0021047900000000 ] - [ -0.0004620600000000, 0.0002427000000000, 0.0002992800000000 ] - [ 0.0004745000000000, 0.0000514500000000, -0.0012368800000000 ] - [ 0.0093772400000000, -0.0008572000000000, -0.0109323100000000 ] - [ -0.0004074000000000, -0.0005289300000000, -0.0029055200000000 ] - [ -0.0029998700000000, 0.0000838100000000, 0.0050283700000000 ] - [ 0.0000151200000000, 0.0002566200000000, -0.0030707900000000 ] - [ 0.0015725200000000, 0.0025560600000000, 0.0050283700000000 ] - [ 0.0002146800000000, -0.0001414100000000, -0.0030707900000000 ] - [ 0.0004412200000000, 0.0002788100000000, 0.0002992800000000 ] - [ -0.0001926900000000, -0.0004366500000000, -0.0012368800000000 ] - [ -0.0057522500000000, 0.0010130400000000, 0.0041917900000000 ] - [ 0.0007556100000000, 0.0004174000000000, -0.0019907000000000 ] - [ 0.0019988100000000, -0.0054881200000000, 0.0041917900000000 ] - [ -0.0007392800000000, 0.0004456800000000, -0.0019907000000000 ] - [ 0.0000559600000000, 0.0001587100000000, 0.0018472100000000 ] - [ 0.0007757100000000, -0.0000985600000000, -0.0016976600000000 ] - [ 0.0042371500000000, -0.0003053200000000, 0.0020121200000000 ] - [ -0.0006423000000000, 0.0003501100000000, -0.0015295800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1675849700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038022100000000 ] - [ 0.0001094600000000, -0.0001278100000000, 0.0018472100000000 ] - [ -0.0004732100000000, -0.0006225000000000, -0.0016976600000000 ] - [ -0.0023829800000000, -0.0035168200000000, 0.0020121200000000 ] - [ 0.0006243600000000, 0.0003811900000000, -0.0015295800000000 ] - [ 0.0014273600000000, -0.0026398700000000, 0.0050283700000000 ] - [ -0.0002298000000000, -0.0001152200000000, -0.0030707900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008624300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015170300000000 ] - [ 0.0037534400000000, 0.0044750800000000, 0.0041917900000000 ] - [ -0.0000163200000000, -0.0008630800000000, -0.0019907000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002234800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027241300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012302200000000 ] - [ -0.0018407200000000, -0.0073697000000000, 0.0037413000000000 ] - [ 0.0001249700000000, 0.0000296200000000, -0.0015755700000000 ] - [ 0.0073027100000000, 0.0020907400000000, 0.0037413000000000 ] - [ -0.0000881300000000, 0.0000934200000000, -0.0015755700000000 ] - [ 0.0030007400000000, -0.0009900000000000, -0.0017068000000000 ] - [ -0.0008143600000000, 0.0001632200000000, -0.0016434700000000 ] - [ -0.0023577400000000, -0.0021037200000000, -0.0017068000000000 ] - [ 0.0005485400000000, 0.0006236400000000, -0.0016434700000000 ] - [ -0.0006430000000000, 0.0030937200000000, -0.0017068000000000 ] - [ 0.0002658200000000, -0.0007868700000000, -0.0016434700000000 ] - [ -0.0054619800000000, 0.0052789600000000, 0.0037413000000000 ] - [ -0.0000368400000000, -0.0001230300000000, -0.0015755700000000 ] - [ 0.0011648500000000, -0.0003311400000000, 0.0083243500000000 ] - [ -0.0003851800000000, 0.0001797500000000, -0.0032706600000000 ] - [ -0.0006670800000000, 0.0071375700000000, -0.0027359100000000 ] - [ -0.0000317400000000, -0.0018136700000000, -0.0029569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.3037586700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043486400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012212500000000 ] - [ -0.0002956500000000, 0.0011743600000000, 0.0083243500000000 ] - [ 0.0000369200000000, -0.0004234500000000, -0.0032706600000000 ] - [ 0.0065148500000000, -0.0029910800000000, -0.0027359100000000 ] - [ -0.0015548200000000, 0.0009343200000000, -0.0029569900000000 ] - [ -0.0058477800000000, -0.0041464900000000, -0.0027359100000000 ] - [ 0.0015865600000000, 0.0008793500000000, -0.0029569900000000 ] - [ -0.0008692000000000, -0.0008432200000000, 0.0083243500000000 ] - [ 0.0003482600000000, 0.0002437000000000, -0.0032706600000000 ] - [ -0.0138321300000000, 0.0059706200000000, -0.0015689000000000 ] - [ 0.0002282600000000, -0.0002412900000000, -0.0040816700000000 ] - [ -0.0006643400000000, 0.0002494700000000, 0.0025021400000000 ] - [ 0.0001516700000000, -0.0005005400000000, -0.0034994600000000 ] - [ 0.0017453500000000, -0.0149642900000000, -0.0015689000000000 ] - [ 0.0000948400000000, 0.0003183200000000, -0.0040816700000000 ] - [ 0.0001161300000000, -0.0007000700000000, 0.0025021400000000 ] - [ 0.0003576400000000, 0.0003816200000000, -0.0034994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010234700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027459000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0453890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0060084900000000 ] - [ 0.0120867800000000, 0.0089936600000000, -0.0015689000000000 ] - [ -0.0003230900000000, -0.0000770300000000, -0.0040816700000000 ] - [ 0.0005482100000000, 0.0004506000000000, 0.0025021400000000 ] - [ -0.0005093100000000, 0.0001189100000000, -0.0034994600000000 ] - [ 0.0009650100000000, 0.0016125900000000, -0.0010547700000000 ] - [ -0.0003450100000000, -0.0004072400000000, 0.0018208700000000 ] - [ 0.0020898700000000, -0.0042455100000000, -0.0016198700000000 ] - [ 0.0002081000000000, 0.0003269200000000, 0.0019018000000000 ] - [ 0.0014018900000000, -0.0001081500000000, 0.0013048300000000 ] - [ -0.0013316400000000, 0.0007226400000000, 0.0034704500000000 ] - [ -0.0010295300000000, -0.0019908200000000, -0.0000130800000000 ] - [ 0.0006792500000000, 0.0002056500000000, 0.0016799500000000 ] - [ -0.0018790500000000, 0.0000294300000000, -0.0010547700000000 ] - [ 0.0005251800000000, -0.0000951700000000, 0.0018208700000000 ] - [ -0.0012093300000000, 0.0018870100000000, -0.0000130800000000 ] - [ -0.0001615300000000, -0.0006910700000000, 0.0016799500000000 ] - [ 0.0022388600000000, 0.0001038100000000, -0.0000130800000000 ] - [ -0.0005177200000000, 0.0004854300000000, 0.0016799500000000 ] - [ -0.0002307500000000, 0.0011416400000000, -0.0005137500000000 ] - [ 0.0000743800000000, 0.0002344800000000, 0.0010313000000000 ] - [ 0.0009140300000000, -0.0016420200000000, -0.0010547700000000 ] - [ -0.0001801700000000, 0.0005024100000000, 0.0018208700000000 ] - [ 0.0233454800000000, -0.0318277600000000, -0.0336055600000000 ] - [ -0.0004420000000000, 0.0004995100000000, 0.0018930500000000 ] - [ 0.0003012800000000, 0.0013207100000000, -0.0023882500000000 ] - [ 0.0004309100000000, 0.0005636600000000, 0.0011566100000000 ] - [ -0.0007946100000000, -0.0011600000000000, 0.0013048300000000 ] - [ 0.0012916500000000, 0.0007919100000000, 0.0034704500000000 ] - [ -0.0392363800000000, -0.0043039000000000, -0.0336055600000000 ] - [ 0.0006535900000000, 0.0001330300000000, 0.0018930500000000 ] - [ 0.0043872200000000, 0.0084435200000000, 0.0104044600000000 ] - [ -0.0007830300000000, 0.0001522600000000, 0.0023535500000000 ] - [ 0.0051186900000000, -0.0080212000000000, 0.0104044600000000 ] - [ 0.0005233700000000, 0.0006019900000000, 0.0023535500000000 ] - [ -0.0006072800000000, 0.0012681500000000, 0.0013048300000000 ] - [ 0.0000399900000000, -0.0015145600000000, 0.0034704500000000 ] - [ 0.0158909100000000, 0.0361316500000000, -0.0336055600000000 ] - [ -0.0002115900000000, -0.0006325400000000, 0.0018930500000000 ] - [ 0.0011040700000000, -0.0003709900000000, -0.0005137500000000 ] - [ 0.0001658800000000, -0.0001816500000000, 0.0010313000000000 ] - [ -0.0095059100000000, -0.0004223200000000, 0.0104044600000000 ] - [ 0.0002596500000000, -0.0007542500000000, 0.0023535500000000 ] - [ 0.0031004500000000, 0.0004645500000000, -0.0051138600000000 ] - [ 0.0000757400000000, 0.0002919900000000, 0.0030081700000000 ] - [ -0.0011479200000000, -0.0029173400000000, -0.0051138600000000 ] - [ 0.0002150000000000, -0.0002115900000000, 0.0030081700000000 ] - [ -0.0008733200000000, -0.0007706600000000, -0.0005137500000000 ] - [ -0.0002402600000000, -0.0000528300000000, 0.0010313000000000 ] - [ 0.0059298900000000, -0.0004168500000000, -0.0041586700000000 ] - [ -0.0006141100000000, 0.0001924800000000, 0.0020333000000000 ] - [ -0.0026039500000000, 0.0053438600000000, -0.0041586700000000 ] - [ 0.0001403600000000, -0.0006280800000000, 0.0020333000000000 ] - [ 0.0009931300000000, -0.0009212700000000, -0.0023882500000000 ] - [ 0.0002726800000000, -0.0006550100000000, 0.0011566100000000 ] - [ -0.0047216600000000, 0.0003128700000000, -0.0016198700000000 ] - [ 0.0001790800000000, -0.0003436800000000, 0.0019018000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1780675600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050772700000000 ] - [ -0.0012944100000000, -0.0003994400000000, -0.0023882500000000 ] - [ -0.0007036000000000, 0.0000913500000000, 0.0011566100000000 ] - [ 0.0026317900000000, 0.0039326400000000, -0.0016198700000000 ] - [ -0.0003871700000000, 0.0000167500000000, 0.0019018000000000 ] - [ -0.0019525300000000, 0.0024528000000000, -0.0051138600000000 ] - [ -0.0002907400000000, -0.0000804000000000, 0.0030081700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004402000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027991400000000 ] - [ -0.0033259500000000, -0.0049270100000000, -0.0041586700000000 ] - [ 0.0004737500000000, 0.0004356000000000, 0.0020333000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0029248600000000, -0.0086456400000000, 0.0045534100000000 ] - [ -0.0000528100000000, -0.0003109600000000, 0.0000184500000000 ] - [ 0.0006447600000000, -0.0048946300000000, -0.0021855000000000 ] - [ -0.0000076800000000, -0.0002997800000000, 0.0003097200000000 ] - [ 0.0012764500000000, 0.0014359900000000, 0.0012444800000000 ] - [ 0.0001004300000000, -0.0000580100000000, -0.0000465900000000 ] - [ -0.0088856800000000, 0.0012175700000000, 0.0022137700000000 ] - [ -0.0001750100000000, 0.0002699900000000, 0.0002770100000000 ] - [ 0.0029277000000000, 0.0009867100000000, 0.0004531100000000 ] - [ 0.0005821600000000, 0.0001263700000000, -0.0000222200000000 ] - [ -0.0049353500000000, -0.0028263500000000, -0.0048294900000000 ] - [ -0.0003263200000000, -0.0001785300000000, 0.0002318500000000 ] - [ 0.0027458000000000, 0.0046916100000000, -0.0037563800000000 ] - [ -0.0001421600000000, 0.0002912300000000, 0.0003225000000000 ] - [ 0.0023405000000000, 0.0004492000000000, 0.0004679800000000 ] - [ 0.0000742300000000, 0.0000858700000000, 0.0000183600000000 ] - [ 0.0023959100000000, 0.0108769300000000, 0.0069222600000000 ] - [ -0.0001713300000000, -0.0000836800000000, 0.0000571200000000 ] - [ 0.0000571900000000, -0.0012365500000000, 0.0007448800000000 ] - [ -0.0002547600000000, -0.0009031100000000, -0.0021682100000000 ] - [ 0.0402512900000000, -0.0045512100000000, 0.0139006400000000 ] - [ -0.0000475000000000, 0.0000411600000000, -0.0000765700000000 ] - [ -0.0004598000000000, 0.0017395900000000, -0.0003615400000000 ] - [ 0.0003178400000000, 0.0014488700000000, 0.0006981200000000 ] - [ -0.0037803600000000, -0.0048778800000000, 0.0010611100000000 ] - [ 0.0000020000000000, -0.0001870400000000, 0.0001099300000000 ] - [ -0.0040939800000000, -0.0000790000000000, -0.0012250000000000 ] - [ -0.0054882700000000, -0.0031272500000000, 0.0060803200000000 ] - [ 0.0026240800000000, -0.0003277000000000, 0.0001997600000000 ] - [ 0.0024111700000000, -0.0005856900000000, -0.0004169200000000 ] - [ 0.0394129900000000, 0.0113714100000000, -0.0086672200000000 ] - [ 0.0001217700000000, 0.0002592700000000, 0.0004521100000000 ] - [ -0.4584852700000000, 0.0091294500000000, 0.0048637700000000 ] - [ -0.0000982100000000, -0.0000072700000000, 0.0000764300000000 ] - [ 0.0019615700000000, 0.0011251800000000, -0.0068003500000000 ] - [ 0.0018089700000000, 0.0005050500000000, 0.0014665300000000 ] - [ 0.0021320500000000, -0.0052059600000000, -0.0030581800000000 ] - [ -0.0003073200000000, 0.0001577700000000, 0.0004516600000000 ] - [ -0.0005914100000000, 0.0008975200000000, 0.0030331700000000 ] - [ 0.0001958500000000, -0.0000923200000000, -0.0002192100000000 ] - [ -0.0027823600000000, 0.0115117400000000, 0.0001346800000000 ] - [ -0.0000303600000000, 0.0001779900000000, 0.0000416600000000 ] - [ -0.0001195400000000, -0.0000177300000000, 0.0091149100000000 ] - [ -0.0012557900000000, -0.0003032200000000, -0.0017177800000000 ] - [ 0.0156877700000000, -0.0026677000000000, -0.0029631700000000 ] - [ 0.0002623200000000, -0.0004910700000000, 0.0002350600000000 ] - [ -0.0013187800000000, -0.0009210100000000, 0.0017660400000000 ] - [ -0.0013177900000000, 0.0001319400000000, -0.0003119700000000 ] - [ -0.0006063200000000, 0.0009201900000000, -0.0001278700000000 ] - [ -0.0002207000000000, 0.0002744600000000, 0.0002855000000000 ] - [ 0.0514780000000000, 0.0511781800000000, -0.0007186200000000 ] - [ 0.0002252800000000, -0.0000650800000000, 0.0001183500000000 ] - [ 0.0548842200000000, 0.0159047400000000, 0.0533994300000000 ] - [ 0.0004526700000000, 0.0001792900000000, 0.0003253600000000 ] - [ 0.0001296100000000, 0.0001415100000000, -0.0003922200000000 ] - [ 0.0004351400000000, 0.0004097400000000, 0.0007456300000000 ] - [ 0.0010883600000000, -0.0002374500000000, 0.0049455000000000 ] - [ -0.0011006100000000, -0.0002428400000000, -0.0017751500000000 ] - [ 0.0007975300000000, 0.0009445100000000, -0.0006294400000000 ] - [ 0.0018951200000000, 0.0033027200000000, -0.0003164600000000 ] - [ -0.0012561300000000, 0.0009967100000000, 0.0016760000000000 ] - [ -0.0011522900000000, 0.0004545400000000, -0.0008579400000000 ] - [ -0.0005137000000000, -0.0006063800000000, -0.0008919900000000 ] - [ -0.0001438800000000, -0.0000407300000000, 0.0000039600000000 ] - [ 0.0006836600000000, -0.0000637900000000, -0.0005192600000000 ] - [ -0.0000487200000000, 0.0004444400000000, 0.0005843400000000 ] - [ -0.0078577400000000, 0.0050358400000000, 0.0005087300000000 ] - [ -0.0003523600000000, 0.0000077500000000, -0.0002534900000000 ] - [ 0.0060391400000000, -0.0011484200000000, 0.0000931700000000 ] - [ 0.0001476100000000, 0.0005852000000000, -0.0003234100000000 ] - [ -0.0027538800000000, 0.0004155400000000, 0.0009495400000000 ] - [ -0.0001393300000000, 0.0001428600000000, -0.0003473700000000 ] - [ 0.1570522300000000, -0.0909589100000000, 0.0443392900000000 ] - [ 0.0004663100000000, 0.0001906100000000, -0.0001215100000000 ] - [ -0.0018137600000000, -0.0009758400000000, -0.0024653700000000 ] - [ -0.0010681500000000, 0.0004650700000000, 0.0008273400000000 ] - [ -0.0004889700000000, 0.0016021400000000, -0.0024148600000000 ] - [ 0.0005905400000000, 0.0000617600000000, 0.0007904300000000 ] - [ -0.0006388500000000, 0.0004113000000000, 0.0025692200000000 ] - [ -0.0001231300000000, -0.0000852700000000, -0.0006109500000000 ] - [ -0.0149757000000000, -0.0067437600000000, 0.0010592800000000 ] - [ 0.0000124400000000, -0.0003220600000000, -0.0002016400000000 ] - [ 0.0000275300000000, -0.0019803100000000, 0.0013541900000000 ] - [ -0.0001682100000000, -0.0007472200000000, -0.0005270900000000 ] - [ 0.0022911200000000, -0.0008500800000000, -0.0022385500000000 ] - [ 0.0047273600000000, -0.0014857000000000, -0.0018173700000000 ] - [ -0.0059812400000000, -0.0007884200000000, 0.0062839800000000 ] - [ -0.0003633000000000, 0.0001928000000000, -0.0008027800000000 ] - [ 0.0010875000000000, 0.0018211500000000, -0.0019496700000000 ] - [ 0.0004229600000000, -0.0002209000000000, -0.0000360900000000 ] - [ 0.0007182300000000, -0.0007348600000000, -0.0003985700000000 ] - [ 0.0004290400000000, -0.0008797900000000, -0.0003804000000000 ] - [ 0.1564313800000000, 0.0199217200000000, -0.1023809800000000 ] - [ 0.0002276000000000, 0.0003612400000000, -0.0002258000000000 ] - [ 0.0003816000000000, -0.0020482400000000, -0.0019867500000000 ] - [ -0.0003511500000000, 0.0000058700000000, -0.0001145400000000 ] - [ -0.0011016300000000, -0.0050451300000000, 0.0001785900000000 ] - [ 0.0004929300000000, -0.0004557600000000, -0.0002956600000000 ] - [ -0.0151648300000000, 0.0043170600000000, -0.0021214800000000 ] - [ -0.0004294100000000, 0.0001461200000000, 0.0001248900000000 ] - [ -0.0059183600000000, 0.0000137500000000, -0.0112503400000000 ] - [ 0.0003618100000000, 0.0000554900000000, 0.0007231700000000 ] - [ -0.0055855400000000, -0.0106558800000000, -0.0014628500000000 ] - [ -0.0005895600000000, -0.0004393500000000, -0.0004072200000000 ] - [ 0.0001454400000000, 0.0048133200000000, 0.0007570400000000 ] - [ 0.0002141200000000, 0.0002542200000000, 0.0000218600000000 ] - [ 0.0010304600000000, -0.0015375300000000, -0.0046564500000000 ] - [ -0.0002485700000000, 0.0000098300000000, -0.0001163200000000 ] - [ 0.0000566100000000, -0.0026327700000000, 0.0001732600000000 ] - [ 0.0000830100000000, -0.0003276800000000, 0.0006441900000000 ] - [ -0.0026572200000000, 0.0004634100000000, 0.0000306100000000 ] - [ 0.0001748600000000, -0.0001740100000000, -0.0000708700000000 ]- atom: 33 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0029157700000000, 0.0085709400000000, -0.0042306200000000 ] - [ 0.0000523000000000, 0.0003113200000000, 0.0002533700000000 ] - [ -0.0006511500000000, 0.0048925300000000, 0.0024440100000000 ] - [ 0.0000059100000000, 0.0002993900000000, -0.0000370200000000 ] - [ -0.0011067300000000, -0.0017354500000000, -0.0011996200000000 ] - [ 0.0000669900000000, -0.0002384100000000, 0.0001089400000000 ] - [ 0.0090627200000000, -0.0009285200000000, -0.0021412000000000 ] - [ 0.0003495900000000, 0.0000292000000000, -0.0002171100000000 ] - [ -0.0025899900000000, -0.0009804800000000, -0.0003849900000000 ] - [ -0.0002498600000000, -0.0001347200000000, 0.0000821600000000 ] - [ 0.0047802800000000, 0.0025136800000000, 0.0048802400000000 ] - [ 0.0001497300000000, -0.0001230700000000, -0.0001709700000000 ] - [ -0.0029132900000000, -0.0044338800000000, 0.0038490400000000 ] - [ -0.0000240500000000, 0.0000048900000000, -0.0002613700000000 ] - [ -0.0026661800000000, -0.0004407900000000, -0.0004139800000000 ] - [ -0.0004051500000000, -0.0000784900000000, 0.0000423200000000 ] - [ -0.0027671800000000, -0.0109273900000000, -0.0070256200000000 ] - [ -0.0002591100000000, 0.0000566200000000, -0.0001161300000000 ] - [ -0.0002510900000000, 0.0008498500000000, -0.0008029800000000 ] - [ 0.0000568800000000, 0.0005177900000000, 0.0021080700000000 ] - [ -0.0404459300000000, 0.0047907000000000, -0.0143492600000000 ] - [ 0.0000405800000000, -0.0000386100000000, -0.0002012200000000 ] - [ 0.0004632000000000, -0.0017444800000000, 0.0000819700000000 ] - [ -0.0003158500000000, -0.0014540100000000, -0.0009726400000000 ] - [ 0.0040083100000000, 0.0044731400000000, -0.0011278600000000 ] - [ 0.0002376900000000, -0.0001743700000000, -0.0001665400000000 ] - [ 0.0038607300000000, 0.0004399800000000, 0.0011721000000000 ] - [ 0.0052361400000000, 0.0034709700000000, -0.0061425400000000 ] - [ -0.0021952200000000, 0.0003541000000000, -0.0002599600000000 ] - [ -0.0019802900000000, 0.0006090800000000, 0.0003801200000000 ] - [ -0.0390374300000000, -0.0108849600000000, 0.0083396300000000 ] - [ 0.0000710100000000, 0.0001294400000000, -0.0005084300000000 ] - [ 0.4593327600000000, -0.0167484700000000, 0.0049451100000000 ] - [ 0.0006793500000000, 0.0002216000000000, -0.0000874000000000 ] - [ -0.0014998200000000, -0.0015114500000000, 0.0067977200000000 ] - [ -0.0013528400000000, -0.0008808600000000, -0.0014622800000000 ] - [ -0.0026053000000000, 0.0056040400000000, 0.0030378900000000 ] - [ -0.0001669800000000, 0.0002268300000000, -0.0004635400000000 ] - [ 0.0006862800000000, -0.0002800500000000, -0.0030418200000000 ] - [ -0.0000954400000000, 0.0007135000000000, 0.0002009900000000 ] - [ 0.0027565600000000, -0.0114896000000000, -0.0001678000000000 ] - [ 0.0000356700000000, -0.0001779300000000, -0.0000800800000000 ] - [ 0.0001175900000000, 0.0000167500000000, -0.0091753900000000 ] - [ 0.0012589300000000, 0.0003131000000000, 0.0016871500000000 ] - [ -0.0158062500000000, 0.0019697500000000, 0.0029687200000000 ] - [ -0.0003578300000000, -0.0001208600000000, -0.0002457500000000 ] - [ 0.0007403700000000, 0.0007019700000000, -0.0017817600000000 ] - [ 0.0007413400000000, -0.0003555200000000, 0.0003006600000000 ] - [ 0.0003781500000000, -0.0005239800000000, 0.0005022600000000 ] - [ -0.0000088400000000, 0.0001257900000000, 0.0000805400000000 ] - [ -0.0506814700000000, -0.0514687700000000, 0.0011033600000000 ] - [ 0.0000058600000000, -0.0003245400000000, 0.0002512000000000 ] - [ -0.0558327700000000, -0.0154165400000000, -0.0533522100000000 ] - [ -0.0008942700000000, 0.0001685100000000, -0.0004064000000000 ] - [ -0.0002587300000000, -0.0007490000000000, 0.0004502100000000 ] - [ -0.0005641000000000, -0.0010121400000000, -0.0006875600000000 ] - [ -0.0013078000000000, -0.0001615700000000, -0.0045862100000000 ] - [ 0.0009012900000000, -0.0001566100000000, 0.0021573400000000 ] - [ -0.0012572800000000, -0.0005281500000000, 0.0006846600000000 ] - [ -0.0023608000000000, -0.0029022000000000, 0.0003899000000000 ] - [ 0.0018541400000000, -0.0008136000000000, -0.0016224000000000 ] - [ 0.0017517100000000, -0.0002761100000000, 0.0008907500000000 ] - [ 0.0003128500000000, 0.0012267800000000, 0.0006798900000000 ] - [ -0.0000621200000000, 0.0006611300000000, -0.0002161100000000 ] - [ -0.0002244000000000, 0.0000630600000000, 0.0008922900000000 ] - [ 0.0005116500000000, -0.0004506100000000, -0.0002093900000000 ] - [ 0.0071847900000000, -0.0049200800000000, -0.0007094500000000 ] - [ -0.0002846500000000, 0.0001304700000000, 0.0000400700000000 ] - [ -0.0058924400000000, 0.0024434000000000, -0.0006278600000000 ] - [ -0.0000205900000000, 0.0006985200000000, -0.0002147400000000 ] - [ 0.0032751400000000, -0.0001950300000000, -0.0010489400000000 ] - [ 0.0006595900000000, 0.0000594100000000, 0.0002712000000000 ] - [ -0.1631071800000000, 0.0977465100000000, -0.0475887200000000 ] - [ -0.0000226900000000, 0.0002940200000000, -0.0000896200000000 ] - [ 0.0007693700000000, 0.0017319600000000, 0.0019328100000000 ] - [ 0.0000161600000000, 0.0002918200000000, -0.0013728500000000 ] - [ 0.0016680000000000, -0.0010758100000000, 0.0018835500000000 ] - [ 0.0005876600000000, 0.0004615000000000, -0.0013268300000000 ] - [ 0.0005601300000000, -0.0009624900000000, -0.0026401900000000 ] - [ 0.0000424900000000, -0.0004610000000000, 0.0005340400000000 ] - [ 0.0152495900000000, 0.0061465000000000, -0.0012564800000000 ] - [ 0.0001882100000000, -0.0002996600000000, -0.0000105900000000 ] - [ 0.0006088400000000, 0.0018415300000000, -0.0015656800000000 ] - [ 0.0008122200000000, 0.0006071700000000, 0.0003106900000000 ] - [ -0.0024275400000000, -0.0004345700000000, 0.0017039900000000 ] - [ -0.0048770500000000, 0.0002075200000000, 0.0012895000000000 ] - [ 0.0061144800000000, 0.0013366600000000, -0.0063612900000000 ] - [ 0.0004489000000000, 0.0003504600000000, 0.0007215600000000 ] - [ -0.0006475000000000, -0.0021581800000000, 0.0018715700000000 ] - [ 0.0000160400000000, -0.0001258100000000, -0.0000461400000000 ] - [ -0.0011631800000000, 0.0002486100000000, 0.0001872500000000 ] - [ -0.0008763500000000, 0.0004017800000000, 0.0001738800000000 ] - [ -0.1501528800000000, -0.0180890000000000, 0.0958329300000000 ] - [ -0.0000979900000000, 0.0002466100000000, 0.0002803800000000 ] - [ -0.0009648200000000, 0.0018307700000000, 0.0020390200000000 ] - [ -0.0002463500000000, -0.0001899600000000, 0.0001628000000000 ] - [ 0.0021308900000000, 0.0042873600000000, -0.0007135300000000 ] - [ 0.0005524200000000, -0.0003040000000000, -0.0002391000000000 ] - [ 0.0146512000000000, -0.0043024800000000, 0.0025069700000000 ] - [ -0.0000312500000000, -0.0001457600000000, 0.0002482800000000 ] - [ 0.0059137600000000, -0.0000321500000000, 0.0125429800000000 ] - [ -0.0003607100000000, -0.0000524500000000, 0.0005479800000000 ] - [ 0.0044014700000000, 0.0100989700000000, 0.0009479300000000 ] - [ -0.0005863400000000, -0.0000905000000000, -0.0001296800000000 ] - [ 0.0000762900000000, -0.0043991100000000, -0.0003800800000000 ] - [ 0.0000100700000000, 0.0001437400000000, 0.0003478800000000 ] - [ -0.0015670100000000, 0.0013278500000000, 0.0045662900000000 ] - [ -0.0002736600000000, -0.0002145500000000, 0.0000429500000000 ] - [ -0.0000551200000000, 0.0026253300000000, 0.0010960500000000 ] - [ -0.0000868100000000, 0.0003231300000000, 0.0006281000000000 ] - [ 0.0031261900000000, -0.0008440800000000, 0.0000401800000000 ] - [ 0.0002830200000000, -0.0002452100000000, 0.0001244400000000 ]- atom: 33 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0089825200000000, 0.0061247400000000, -0.0069324700000000 ] - [ -0.0001743400000000, 0.0000908400000000, 0.0003113400000000 ] - [ -0.0032229000000000, 0.0020489100000000, 0.0034409300000000 ] - [ -0.0001892900000000, -0.0000437700000000, -0.0000720600000000 ] - [ 0.0013123200000000, -0.0016884300000000, 0.0001103600000000 ] - [ 0.0002357300000000, -0.0003109000000000, -0.0000092800000000 ] - [ 0.0057529300000000, 0.0015196200000000, -0.0083979300000000 ] - [ 0.0002185800000000, 0.0002088800000000, 0.0003041800000000 ] - [ -0.0008133000000000, 0.0000380700000000, 0.0000503400000000 ] - [ -0.0000915100000000, 0.0000365100000000, 0.0000213400000000 ] - [ 0.0006850000000000, 0.0097149500000000, 0.0090615400000000 ] - [ 0.0000739100000000, -0.0000724000000000, -0.0001835500000000 ] - [ 0.0048927800000000, -0.0009255400000000, -0.0028306000000000 ] - [ 0.0001626300000000, -0.0001032600000000, 0.0001172500000000 ] - [ -0.0016674300000000, 0.0013601400000000, -0.0000451600000000 ] - [ -0.0002755700000000, 0.0001997200000000, 0.0000516900000000 ] - [ 0.0079368900000000, 0.0278770800000000, 0.0168076700000000 ] - [ -0.0002752600000000, 0.0001079300000000, -0.0004099000000000 ] - [ -0.0012676600000000, 0.0017656500000000, 0.0002169500000000 ] - [ -0.0013399500000000, 0.0018542700000000, -0.0001920400000000 ] - [ -0.0378839400000000, -0.0015038100000000, -0.0123308600000000 ] - [ 0.0000222500000000, -0.0000372300000000, 0.0001302100000000 ] - [ 0.0012537700000000, 0.0005119000000000, 0.0001652000000000 ] - [ 0.0009943000000000, 0.0010254100000000, -0.0000719000000000 ] - [ -0.0004924300000000, 0.0072638600000000, -0.0013527700000000 ] - [ 0.0001918200000000, -0.0001356700000000, 0.0000490400000000 ] - [ 0.0018733100000000, -0.0017169000000000, 0.0003398600000000 ] - [ -0.0002415200000000, -0.0047282200000000, 0.0016859900000000 ] - [ -0.0010904200000000, -0.0001825100000000, -0.0002722600000000 ] - [ -0.0006865800000000, -0.0003460500000000, -0.0004273100000000 ] - [ -0.0129370000000000, -0.0037918500000000, 0.0016379500000000 ] - [ 0.0000739500000000, 0.0002402600000000, 0.0000675900000000 ] - [ 0.2481919900000000, -0.4026448200000000, 0.0081640300000000 ] - [ 0.0003861300000000, -0.0002073000000000, 0.0001270600000000 ] - [ -0.0006199800000000, -0.0005180900000000, 0.0023954700000000 ] - [ 0.0012415700000000, -0.0003436300000000, -0.0001651900000000 ] - [ -0.0088667200000000, 0.0133808200000000, -0.0008796800000000 ] - [ -0.0004085900000000, 0.0004505600000000, -0.0001205300000000 ] - [ -0.0003281200000000, 0.0021301300000000, 0.0055868000000000 ] - [ 0.0007531600000000, 0.0022191000000000, -0.0024021300000000 ] - [ 0.0112595600000000, 0.0048135400000000, -0.0013638700000000 ] - [ 0.0001323000000000, 0.0001332400000000, 0.0001876000000000 ] - [ 0.0000043300000000, -0.0004908400000000, -0.0086684000000000 ] - [ -0.0017774300000000, -0.0007636800000000, 0.0017207000000000 ] - [ -0.0071720300000000, -0.0002242100000000, 0.0025999100000000 ] - [ -0.0001866200000000, -0.0003004400000000, -0.0001304700000000 ] - [ 0.0004393200000000, 0.0011499400000000, -0.0024929600000000 ] - [ -0.0004719600000000, 0.0006214500000000, 0.0003229300000000 ] - [ -0.0000173500000000, -0.0005255300000000, 0.0005014300000000 ] - [ -0.0000302000000000, -0.0000384200000000, 0.0002449100000000 ] - [ 0.0184300000000000, 0.1662625300000000, -0.0032030800000000 ] - [ 0.0001276300000000, -0.0000319800000000, 0.0001621500000000 ] - [ -0.0147642100000000, 0.0375405300000000, 0.0150955500000000 ] - [ -0.0005692700000000, 0.0004757700000000, -0.0002098500000000 ] - [ 0.0003983200000000, -0.0007955800000000, 0.0005496600000000 ] - [ 0.0006937000000000, -0.0015918500000000, -0.0001826800000000 ] - [ -0.0007568400000000, 0.0004651200000000, -0.0014679800000000 ] - [ -0.0006013500000000, -0.0000354300000000, -0.0011569900000000 ] - [ -0.0002321400000000, 0.0011620800000000, -0.0016190200000000 ] - [ 0.0000688200000000, 0.0020501200000000, 0.0035088700000000 ] - [ 0.0010889400000000, -0.0002644300000000, -0.0005820200000000 ] - [ 0.0004247600000000, 0.0007062100000000, 0.0006197100000000 ] - [ -0.0014709300000000, -0.0006683600000000, -0.0017275900000000 ] - [ -0.0007283600000000, -0.0004235900000000, 0.0004345800000000 ] - [ 0.0014269400000000, -0.0017215300000000, -0.0013307300000000 ] - [ 0.0006123300000000, -0.0009025300000000, 0.0005154800000000 ] - [ 0.0083650800000000, -0.0085059400000000, -0.0004258600000000 ] - [ -0.0002479100000000, -0.0001007000000000, -0.0001480800000000 ] - [ -0.0072561800000000, -0.0055401300000000, 0.0004402600000000 ] - [ -0.0000850700000000, 0.0006156200000000, -0.0003583100000000 ] - [ 0.0015300900000000, 0.0004399800000000, -0.0009376900000000 ] - [ 0.0004556200000000, 0.0001873700000000, 0.0001925000000000 ] - [ -0.1672170900000000, 0.1455886200000000, -0.0553206600000000 ] - [ 0.0000549100000000, 0.0003521500000000, -0.0001890100000000 ] - [ 0.0002096900000000, 0.0020988700000000, 0.0016586400000000 ] - [ -0.0001058300000000, 0.0012731100000000, -0.0004722900000000 ] - [ 0.0016772200000000, -0.0015361200000000, 0.0017384700000000 ] - [ 0.0012517900000000, -0.0003972200000000, -0.0007514500000000 ] - [ 0.0019213300000000, -0.0038289100000000, -0.0002718900000000 ] - [ 0.0002001700000000, -0.0006734500000000, -0.0000337700000000 ] - [ 0.0091084700000000, 0.0087925300000000, -0.0016510600000000 ] - [ 0.0001235400000000, -0.0002114100000000, -0.0001119200000000 ] - [ 0.0003905600000000, 0.0001631500000000, -0.0006131900000000 ] - [ 0.0001566300000000, -0.0002745000000000, -0.0000906900000000 ] - [ -0.0016914700000000, 0.0000061900000000, 0.0018236900000000 ] - [ -0.0004597200000000, 0.0002753600000000, -0.0022928500000000 ] - [ 0.0028089600000000, 0.0002930000000000, -0.0022399700000000 ] - [ -0.0000678600000000, 0.0003019300000000, -0.0000022100000000 ] - [ 0.0004733000000000, -0.0027631000000000, 0.0023924500000000 ] - [ 0.0002605200000000, -0.0003174800000000, -0.0001753000000000 ] - [ -0.0012231000000000, -0.0004125100000000, 0.0005848300000000 ] - [ -0.0006449200000000, -0.0007394800000000, -0.0005254500000000 ] - [ -0.0612413900000000, 0.0264957100000000, 0.0357869500000000 ] - [ 0.0000718300000000, 0.0003871200000000, -0.0000581200000000 ] - [ 0.0047094000000000, -0.0108491300000000, 0.0002062400000000 ] - [ -0.0001480700000000, -0.0002668200000000, 0.0001902200000000 ] - [ -0.0081333500000000, -0.0089576200000000, -0.0010615900000000 ] - [ 0.0004139100000000, -0.0004666600000000, -0.0001922900000000 ] - [ 0.0057654400000000, -0.0009891700000000, 0.0004446500000000 ] - [ -0.0001397300000000, -0.0000345900000000, 0.0001649500000000 ] - [ 0.0067569000000000, 0.0009311700000000, 0.0130675600000000 ] - [ 0.0002811500000000, 0.0001193300000000, 0.0000045700000000 ] - [ 0.0002771700000000, 0.0022001200000000, 0.0011132700000000 ] - [ -0.0005665200000000, -0.0003526700000000, -0.0003273200000000 ] - [ 0.0042458000000000, -0.0055241200000000, -0.0000741900000000 ] - [ 0.0001843200000000, 0.0001346200000000, 0.0002192400000000 ] - [ -0.0024826900000000, -0.0021584000000000, -0.0101521800000000 ] - [ -0.0004562600000000, -0.0002064900000000, 0.0010301200000000 ] - [ -0.0023689200000000, -0.0014728300000000, 0.0009310400000000 ] - [ -0.0002438700000000, -0.0001232300000000, 0.0003476600000000 ] - [ 0.0021097000000000, -0.0012175500000000, -0.0000089900000000 ] - [ 0.0002501800000000, -0.0002068000000000, 0.0000739900000000 ]- atom: 33 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0090799200000000, -0.0061971300000000, 0.0072974900000000 ] - [ 0.0001741200000000, -0.0000898400000000, -0.0000413200000000 ] - [ 0.0032312700000000, -0.0020458700000000, -0.0031974600000000 ] - [ 0.0001882500000000, 0.0000456800000000, 0.0003441400000000 ] - [ -0.0011404100000000, 0.0013984100000000, -0.0000506100000000 ] - [ -0.0000683000000000, 0.0000154000000000, 0.0000691600000000 ] - [ -0.0055526500000000, -0.0012311900000000, 0.0084080900000000 ] - [ -0.0000370400000000, 0.0000931800000000, -0.0002459300000000 ] - [ 0.0011391700000000, -0.0000481800000000, 0.0000093800000000 ] - [ 0.0004263000000000, -0.0000452400000000, 0.0000375300000000 ] - [ -0.0008688500000000, -0.0099163600000000, -0.0088963300000000 ] - [ -0.0002526400000000, -0.0002315900000000, 0.0002427300000000 ] - [ -0.0050570000000000, 0.0012396100000000, 0.0028900100000000 ] - [ -0.0003296500000000, 0.0004029300000000, -0.0000578000000000 ] - [ 0.0013266900000000, -0.0013566500000000, 0.0001001500000000 ] - [ -0.0000606600000000, -0.0001916400000000, 0.0000076800000000 ] - [ -0.0085259800000000, -0.0280279500000000, -0.0169122700000000 ] - [ -0.0001553900000000, -0.0001345900000000, 0.0003491600000000 ] - [ 0.0010719300000000, -0.0021573800000000, -0.0002805100000000 ] - [ 0.0011376100000000, -0.0022490500000000, 0.0001495400000000 ] - [ 0.0376879300000000, 0.0015532300000000, 0.0119472000000000 ] - [ -0.0000293300000000, 0.0000392700000000, -0.0004130200000000 ] - [ -0.0012464500000000, -0.0005198000000000, -0.0004488600000000 ] - [ -0.0009847400000000, -0.0010349000000000, -0.0002050000000000 ] - [ 0.0007186100000000, -0.0075972900000000, 0.0012662900000000 ] - [ 0.0000484900000000, -0.0002248200000000, -0.0001067000000000 ] - [ -0.0021047600000000, 0.0020800800000000, -0.0003940100000000 ] - [ -0.0000217800000000, 0.0050764000000000, -0.0017785400000000 ] - [ 0.0015205100000000, 0.0002130200000000, 0.0002101400000000 ] - [ 0.0011217200000000, 0.0003792300000000, 0.0003753400000000 ] - [ 0.0131128300000000, 0.0042355700000000, -0.0016983000000000 ] - [ 0.0001195000000000, 0.0001476300000000, -0.0001296300000000 ] - [ -0.2331070200000000, 0.4029611000000000, -0.0027512900000000 ] - [ 0.0001957700000000, 0.0004222400000000, -0.0001419100000000 ] - [ 0.0010846200000000, 0.0001302500000000, -0.0023924000000000 ] - [ -0.0007879100000000, -0.0000394200000000, 0.0001494400000000 ] - [ 0.0083710000000000, -0.0130320700000000, 0.0008759300000000 ] - [ -0.0000656100000000, -0.0000674100000000, 0.0001053000000000 ] - [ 0.0004238700000000, -0.0015150700000000, -0.0056092200000000 ] - [ -0.0006600100000000, -0.0015998300000000, 0.0023855200000000 ] - [ -0.0111748700000000, -0.0048203900000000, 0.0013381700000000 ] - [ -0.0001262100000000, -0.0001341400000000, -0.0002293800000000 ] - [ -0.0000084500000000, 0.0004872500000000, 0.0086180500000000 ] - [ 0.0017813000000000, 0.0007589800000000, -0.0017607500000000 ] - [ 0.0070841300000000, -0.0003802700000000, -0.0026033200000000 ] - [ 0.0000910500000000, -0.0003103200000000, 0.0001164300000000 ] - [ -0.0010118400000000, -0.0013621900000000, 0.0024588500000000 ] - [ -0.0000953000000000, -0.0008353500000000, -0.0003251000000000 ] - [ -0.0002148900000000, 0.0009147100000000, -0.0001245100000000 ] - [ -0.0002029500000000, 0.0004295000000000, 0.0001245000000000 ] - [ -0.0212384400000000, -0.1736968600000000, 0.0037292900000000 ] - [ 0.0001034000000000, -0.0003584600000000, 0.0002080600000000 ] - [ 0.0140268500000000, -0.0376494900000000, -0.0164425500000000 ] - [ 0.0001287400000000, -0.0001277100000000, 0.0001325100000000 ] - [ -0.0005263800000000, 0.0001885500000000, -0.0004862400000000 ] - [ -0.0008265000000000, 0.0009876600000000, 0.0002278600000000 ] - [ 0.0005351700000000, -0.0008641400000000, 0.0018224700000000 ] - [ 0.0003964300000000, -0.0003635900000000, 0.0015512700000000 ] - [ -0.0002274900000000, -0.0007483100000000, 0.0016770000000000 ] - [ -0.0005228800000000, -0.0016618600000000, -0.0034466300000000 ] - [ -0.0004903900000000, 0.0004453400000000, 0.0006332200000000 ] - [ 0.0001775600000000, -0.0005332300000000, -0.0005747700000000 ] - [ 0.0012726300000000, 0.0012905200000000, 0.0015187900000000 ] - [ 0.0005251100000000, 0.0010425900000000, -0.0006446900000000 ] - [ -0.0009654400000000, 0.0017215200000000, 0.0017080300000000 ] - [ -0.0001445600000000, 0.0008948600000000, -0.0001446500000000 ] - [ -0.0090260900000000, 0.0086717100000000, 0.0002249800000000 ] - [ -0.0003888400000000, 0.0002395200000000, -0.0000639600000000 ] - [ 0.0073269000000000, 0.0067670600000000, -0.0009634000000000 ] - [ 0.0002121100000000, 0.0006687800000000, -0.0001782900000000 ] - [ -0.0010199400000000, -0.0002411300000000, 0.0008567100000000 ] - [ 0.0000645800000000, 0.0000126800000000, -0.0002650700000000 ] - [ 0.1571003500000000, -0.1380851900000000, 0.0509040600000000 ] - [ 0.0003884700000000, 0.0001318000000000, -0.0000205800000000 ] - [ -0.0012551000000000, -0.0013433200000000, -0.0021930400000000 ] - [ -0.0009470300000000, -0.0005115900000000, -0.0000605200000000 ] - [ -0.0004985400000000, 0.0020669800000000, -0.0022719800000000 ] - [ -0.0000726100000000, 0.0009317000000000, 0.0002124700000000 ] - [ -0.0019945200000000, 0.0032944800000000, 0.0001869100000000 ] - [ -0.0002816000000000, 0.0001288100000000, -0.0000387900000000 ] - [ -0.0088975000000000, -0.0094071200000000, 0.0014387400000000 ] - [ 0.0000767000000000, -0.0004102100000000, -0.0000989800000000 ] - [ 0.0002440600000000, -0.0002984800000000, 0.0003991500000000 ] - [ 0.0004865000000000, 0.0001416000000000, -0.0001215700000000 ] - [ 0.0015588800000000, -0.0012887300000000, -0.0023586600000000 ] - [ 0.0003118300000000, -0.0015394500000000, 0.0017696100000000 ] - [ -0.0026963200000000, 0.0002483900000000, 0.0021511500000000 ] - [ 0.0001549800000000, 0.0002415000000000, -0.0000703600000000 ] - [ -0.0000346200000000, 0.0024129000000000, -0.0024505000000000 ] - [ 0.0001766400000000, -0.0000303200000000, 0.0000918600000000 ] - [ 0.0007750300000000, -0.0000741000000000, -0.0007908200000000 ] - [ 0.0001921900000000, 0.0002587000000000, 0.0003131600000000 ] - [ 0.0610353900000000, -0.0254209500000000, -0.0358353600000000 ] - [ 0.0000571200000000, 0.0002200900000000, 0.0001148400000000 ] - [ -0.0052854200000000, 0.0106903700000000, -0.0001436500000000 ] - [ -0.0004490400000000, 0.0000829200000000, -0.0001413700000000 ] - [ 0.0091334500000000, 0.0081581000000000, 0.0005101700000000 ] - [ 0.0006317200000000, -0.0002928000000000, -0.0003410600000000 ] - [ -0.0062174500000000, 0.0009644600000000, -0.0000630800000000 ] - [ -0.0003203700000000, 0.0000341200000000, 0.0002092700000000 ] - [ -0.0067521400000000, -0.0009292700000000, -0.0117905500000000 ] - [ -0.0002795000000000, -0.0001143600000000, 0.0012735200000000 ] - [ -0.0014543600000000, -0.0026977000000000, -0.0016419000000000 ] - [ -0.0006099000000000, -0.0001759900000000, -0.0002069700000000 ] - [ -0.0040047200000000, 0.0059184100000000, 0.0004511000000000 ] - [ 0.0000403400000000, 0.0002633700000000, 0.0001518100000000 ] - [ 0.0019728300000000, 0.0019539200000000, 0.0100922200000000 ] - [ -0.0000646100000000, 0.0000021700000000, -0.0011032000000000 ] - [ 0.0023524600000000, 0.0014718100000000, 0.0003359400000000 ] - [ 0.0002394500000000, 0.0001192300000000, 0.0009300600000000 ] - [ -0.0016587900000000, 0.0007836200000000, 0.0000647800000000 ] - [ 0.0002073400000000, -0.0002136000000000, -0.0000199000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0059596900000000, -0.0063797100000000, -0.0032538700000000 ] - [ -0.0000440900000000, 0.0001667700000000, 0.0018110800000000 ] - [ -0.0020557100000000, 0.0039201300000000, 0.0022034800000000 ] - [ 0.0005764200000000, -0.0006873300000000, 0.0017981900000000 ] - [ 0.0006429600000000, 0.0004501900000000, -0.0000649700000000 ] - [ -0.0002729000000000, -0.0003422800000000, 0.0013074900000000 ] - [ 0.0022506500000000, -0.0082723500000000, 0.0088501300000000 ] - [ 0.0000122500000000, 0.0009490900000000, 0.0026283000000000 ] - [ 0.0015812200000000, 0.0002506300000000, -0.0033777000000000 ] - [ 0.0000862900000000, -0.0001165500000000, 0.0017985100000000 ] - [ -0.0045678000000000, 0.0089148000000000, -0.0037290800000000 ] - [ -0.0000919000000000, -0.0002724500000000, 0.0017284300000000 ] - [ -0.0032246100000000, -0.0025584800000000, -0.0028493200000000 ] - [ 0.0000112500000000, 0.0002161900000000, 0.0017065100000000 ] - [ -0.0005231800000000, -0.0006917400000000, -0.0000327800000000 ] - [ -0.0000656000000000, 0.0001719100000000, 0.0013372800000000 ] - [ 0.0021723000000000, 0.0082340400000000, -0.0037845600000000 ] - [ -0.0001386200000000, -0.0005594800000000, 0.0039657500000000 ] - [ -0.0000203700000000, -0.0005316100000000, 0.0031737000000000 ] - [ -0.0006176700000000, -0.0000473900000000, -0.0039633600000000 ] - [ 0.0129013000000000, -0.0015636300000000, 0.0014231200000000 ] - [ -0.0000207600000000, 0.0000395400000000, 0.0039342400000000 ] - [ 0.0002483900000000, -0.0007234200000000, 0.0033481300000000 ] - [ 0.0011939300000000, 0.0028341900000000, -0.0026534500000000 ] - [ 0.0006092500000000, -0.0012415500000000, -0.0027841500000000 ] - [ 0.0002923800000000, 0.0000248000000000, 0.0030934600000000 ] - [ 0.0009054900000000, 0.0004912200000000, 0.0058671300000000 ] - [ -0.0056376900000000, -0.0053943300000000, 0.0442613800000000 ] - [ -0.0002272700000000, 0.0011469500000000, 0.0032359000000000 ] - [ 0.0009337300000000, -0.0023999900000000, -0.0041077200000000 ] - [ -0.0223785300000000, -0.0077843100000000, -0.0037710900000000 ] - [ 0.0001547900000000, 0.0004029000000000, 0.0041702100000000 ] - [ -0.0050335600000000, 0.0028583400000000, -0.4675602900000000 ] - [ 0.0003736800000000, 0.0003087400000000, 0.0050575700000000 ] - [ -0.0023480800000000, -0.0014516400000000, 0.0061055700000000 ] - [ 0.0088682200000000, 0.0012870900000000, 0.0043260400000000 ] - [ 0.0001282100000000, -0.0030242700000000, -0.0068171700000000 ] - [ -0.0003529200000000, 0.0004030800000000, 0.0040524000000000 ] - [ 0.0002083400000000, 0.0018969000000000, 0.0043197600000000 ] - [ -0.0023569300000000, -0.0061878000000000, 0.0061056600000000 ] - [ 0.0014268900000000, -0.0029968700000000, -0.0116701300000000 ] - [ -0.0001115900000000, 0.0000380800000000, 0.0041882000000000 ] - [ 0.0012426700000000, -0.0000414600000000, 0.0035964000000000 ] - [ -0.0091742600000000, -0.0002493800000000, 0.0038047000000000 ] - [ -0.0009224900000000, 0.0037240300000000, -0.0068152700000000 ] - [ -0.0001629000000000, -0.0007695400000000, 0.0040525200000000 ] - [ 0.0000148600000000, -0.0003016100000000, 0.0017766900000000 ] - [ -0.0020626500000000, 0.0017293500000000, 0.0017662300000000 ] - [ 0.0002136400000000, 0.0001004500000000, -0.0008062400000000 ] - [ 0.0000313300000000, 0.0001589600000000, 0.0001547800000000 ] - [ -0.0008862100000000, -0.0025983100000000, 0.0404925300000000 ] - [ -0.0000334600000000, -0.0006399000000000, -0.0020211700000000 ] - [ 0.0558411900000000, 0.0521857200000000, 0.2175298000000000 ] - [ -0.0004613300000000, 0.0000210100000000, -0.0044968100000000 ] - [ -0.0005246500000000, -0.0003549100000000, -0.0014625100000000 ] - [ 0.0006200700000000, -0.0007101900000000, 0.0006802000000000 ] - [ 0.0007479600000000, -0.0000734600000000, -0.0045520500000000 ] - [ -0.0058241700000000, -0.0011987700000000, -0.0085306600000000 ] - [ -0.0004071300000000, -0.0000257400000000, -0.0021337000000000 ] - [ 0.0034519100000000, 0.0120047200000000, -0.0078541600000000 ] - [ 0.0016654100000000, -0.0009450400000000, -0.0026443500000000 ] - [ -0.0035323700000000, 0.0013819900000000, 0.0006613800000000 ] - [ -0.0008849600000000, -0.0002611600000000, -0.0017738600000000 ] - [ 0.0015365900000000, 0.0019311000000000, -0.0001168300000000 ] - [ 0.0007160100000000, -0.0008895200000000, -0.0012322500000000 ] - [ -0.0005893700000000, 0.0023417600000000, -0.0003922800000000 ] - [ -0.0029580700000000, 0.0035383100000000, 0.0018791900000000 ] - [ -0.0001616200000000, -0.0006477300000000, -0.0020264000000000 ] - [ 0.0009847500000000, 0.0031321400000000, 0.0043634500000000 ] - [ -0.0004411300000000, 0.0006021300000000, -0.0020410400000000 ] - [ 0.0001843300000000, -0.0008665400000000, 0.0059771400000000 ] - [ 0.0002914700000000, 0.0001437600000000, -0.0034323200000000 ] - [ 0.0460376800000000, -0.0348532700000000, 0.0568424400000000 ] - [ -0.0003827100000000, 0.0004108500000000, -0.0022596700000000 ] - [ -0.0010530000000000, -0.0003845800000000, -0.0018205200000000 ] - [ 0.0020263000000000, 0.0018515400000000, 0.0001850100000000 ] - [ 0.0002478700000000, 0.0011637000000000, -0.0019135200000000 ] - [ 0.0024204300000000, -0.0011204700000000, 0.0006131700000000 ] - [ -0.0002680000000000, 0.0006964200000000, 0.0054071300000000 ] - [ 0.0001247900000000, -0.0002985500000000, -0.0034254500000000 ] - [ -0.0023656200000000, -0.0033959000000000, 0.0025398200000000 ] - [ 0.0006407500000000, 0.0002560600000000, -0.0020333700000000 ] - [ 0.0005592900000000, 0.0016557000000000, -0.0021820600000000 ] - [ -0.0014246600000000, -0.0017359900000000, -0.0003614500000000 ] - [ -0.0006042800000000, -0.0005146000000000, -0.0025522200000000 ] - [ 0.0103341100000000, -0.0033251300000000, -0.0095747700000000 ] - [ 0.0040063300000000, 0.0014611100000000, -0.0044914500000000 ] - [ -0.0014169000000000, 0.0001068000000000, -0.0036064400000000 ] - [ 0.0003043200000000, 0.0005627900000000, -0.0001073800000000 ] - [ 0.0004321100000000, -0.0005975000000000, -0.0024047500000000 ] - [ -0.0001781800000000, 0.0003269400000000, -0.0014706300000000 ] - [ 0.0003045400000000, -0.0028375400000000, -0.0010453600000000 ] - [ -0.0965023200000000, -0.0158107200000000, 0.1215407800000000 ] - [ 0.0007695300000000, 0.0004598000000000, -0.0027880000000000 ] - [ -0.0002650900000000, 0.0003341800000000, 0.0026208300000000 ] - [ -0.0008161600000000, 0.0005454400000000, -0.0020599200000000 ] - [ 0.0005044700000000, 0.0003503900000000, 0.0024454800000000 ] - [ 0.0010364400000000, 0.0002180900000000, -0.0021819000000000 ] - [ 0.0066440700000000, -0.0024053900000000, 0.0075159900000000 ] - [ -0.0005683500000000, 0.0004128000000000, -0.0018953400000000 ] - [ -0.0018825400000000, 0.0006352300000000, -0.0013953200000000 ] - [ 0.0017206300000000, 0.0000699100000000, -0.0039746100000000 ] - [ 0.0022411300000000, 0.0073117100000000, 0.0048665500000000 ] - [ -0.0003536300000000, -0.0009606600000000, -0.0021918900000000 ] - [ -0.0006489600000000, 0.0014983900000000, 0.0033996700000000 ] - [ 0.0004523100000000, 0.0002331200000000, -0.0016150300000000 ] - [ -0.0014453900000000, -0.0038633200000000, -0.0006523300000000 ] - [ 0.0003132900000000, 0.0009231500000000, -0.0046658700000000 ] - [ -0.0015444800000000, -0.0022009600000000, 0.0081233600000000 ] - [ -0.0000264600000000, 0.0001016000000000, -0.0033386500000000 ] - [ 0.0006888000000000, -0.0007792300000000, 0.0019631100000000 ] - [ -0.0000257800000000, -0.0007025200000000, -0.0018365200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0059411000000000, 0.0063693200000000, 0.0034934500000000 ] - [ 0.0000457900000000, -0.0001678300000000, -0.0015415700000000 ] - [ 0.0020773800000000, -0.0039368200000000, -0.0019280200000000 ] - [ -0.0005729900000000, 0.0006880700000000, -0.0015277300000000 ] - [ -0.0004809200000000, -0.0007566400000000, 0.0001365700000000 ] - [ 0.0004365400000000, 0.0000423100000000, -0.0012488300000000 ] - [ -0.0020754400000000, 0.0087041000000000, -0.0088809700000000 ] - [ 0.0001746700000000, -0.0006402300000000, -0.0025683600000000 ] - [ -0.0012446900000000, -0.0002612700000000, 0.0034300100000000 ] - [ 0.0002552300000000, 0.0001065600000000, -0.0017406200000000 ] - [ 0.0043801500000000, -0.0091827700000000, 0.0037661700000000 ] - [ -0.0000902200000000, -0.0000318400000000, -0.0016700100000000 ] - [ 0.0030400600000000, 0.0028491900000000, 0.0028873300000000 ] - [ -0.0001812800000000, 0.0000852000000000, -0.0016486200000000 ] - [ 0.0001813200000000, 0.0007019000000000, 0.0001025800000000 ] - [ -0.0002760700000000, -0.0001627300000000, -0.0012804500000000 ] - [ -0.0026058900000000, -0.0083022800000000, 0.0038083900000000 ] - [ -0.0002901100000000, 0.0005287700000000, -0.0040236000000000 ] - [ -0.0001700600000000, 0.0001430500000000, -0.0032339800000000 ] - [ 0.0004260600000000, -0.0003411100000000, 0.0038830800000000 ] - [ -0.0129700600000000, 0.0015569300000000, -0.0016215300000000 ] - [ 0.0000116800000000, -0.0000369200000000, -0.0042166000000000 ] - [ -0.0002457500000000, 0.0007172200000000, -0.0036321200000000 ] - [ -0.0011929900000000, -0.0028542700000000, 0.0023535700000000 ] - [ -0.0003682200000000, 0.0008768300000000, 0.0027471300000000 ] - [ -0.0000534500000000, -0.0003845600000000, -0.0031577000000000 ] - [ -0.0011466300000000, -0.0001312500000000, -0.0059496000000000 ] - [ 0.0055080800000000, 0.0058505200000000, -0.0439393900000000 ] - [ 0.0006545700000000, -0.0011249600000000, -0.0032934900000000 ] - [ -0.0005126700000000, 0.0024229200000000, 0.0040313800000000 ] - [ 0.0226660900000000, 0.0081920900000000, 0.0037320500000000 ] - [ 0.0000404700000000, -0.0000154500000000, -0.0042376000000000 ] - [ -0.0048692900000000, -0.0094672400000000, 0.4570451000000000 ] - [ 0.0002100400000000, -0.0000951000000000, -0.0050790700000000 ] - [ 0.0028609400000000, 0.0010709900000000, -0.0060944200000000 ] - [ -0.0084034800000000, -0.0016697600000000, -0.0043573800000000 ] - [ -0.0005993600000000, 0.0034027400000000, 0.0067919700000000 ] - [ -0.0001194000000000, -0.0000174900000000, -0.0040684700000000 ] - [ -0.0001068000000000, -0.0013028100000000, -0.0043642100000000 ] - [ 0.0024313600000000, 0.0067501300000000, -0.0060944100000000 ] - [ -0.0014274400000000, 0.0029862200000000, 0.0116229100000000 ] - [ 0.0001163000000000, -0.0000404000000000, -0.0042321200000000 ] - [ -0.0012644700000000, 0.0000429900000000, -0.0036382400000000 ] - [ 0.0091221800000000, 0.0002482400000000, -0.0038426400000000 ] - [ 0.0008342300000000, -0.0043273500000000, 0.0067932700000000 ] - [ 0.0000638100000000, 0.0001563800000000, -0.0040685300000000 ] - [ -0.0005977600000000, 0.0000922000000000, -0.0017803400000000 ] - [ 0.0014853500000000, -0.0019399500000000, -0.0017908400000000 ] - [ -0.0004425400000000, 0.0002941700000000, 0.0011726300000000 ] - [ -0.0002598000000000, 0.0002344300000000, 0.0002230400000000 ] - [ 0.0015569200000000, 0.0036723400000000, -0.0400756700000000 ] - [ 0.0002632900000000, 0.0002500600000000, 0.0023923900000000 ] - [ -0.0517174600000000, -0.0476647800000000, -0.2049663500000000 ] - [ 0.0000209600000000, 0.0003266500000000, 0.0044298800000000 ] - [ 0.0003925500000000, -0.0002547500000000, 0.0015175100000000 ] - [ -0.0007497400000000, 0.0000999300000000, -0.0006140400000000 ] - [ -0.0010000300000000, -0.0003296800000000, 0.0049416700000000 ] - [ 0.0056000700000000, 0.0007819900000000, 0.0089398300000000 ] - [ -0.0000514800000000, 0.0004487100000000, 0.0021976600000000 ] - [ -0.0038957900000000, -0.0115220200000000, 0.0078508000000000 ] - [ -0.0010759700000000, 0.0011300800000000, 0.0026954400000000 ] - [ 0.0041316300000000, -0.0012005900000000, -0.0006033700000000 ] - [ 0.0006926400000000, 0.0008885400000000, 0.0015705600000000 ] - [ -0.0017262800000000, -0.0012957400000000, -0.0000875800000000 ] - [ -0.0002647300000000, 0.0008984200000000, 0.0016073500000000 ] - [ 0.0010454500000000, -0.0023288800000000, 0.0007680200000000 ] - [ 0.0022929100000000, -0.0033873500000000, -0.0020972100000000 ] - [ -0.0004746700000000, 0.0007839200000000, 0.0018155600000000 ] - [ -0.0008572000000000, -0.0018394200000000, -0.0049157400000000 ] - [ 0.0005697300000000, 0.0006813100000000, 0.0015055600000000 ] - [ 0.0003350400000000, 0.0010676700000000, -0.0060384500000000 ] - [ 0.0002295000000000, 0.0000580200000000, 0.0033607100000000 ] - [ -0.0455702700000000, 0.0354814200000000, -0.0563866900000000 ] - [ 0.0008256400000000, 0.0000729300000000, 0.0020527800000000 ] - [ 0.0000127300000000, 0.0011445500000000, 0.0012856200000000 ] - [ -0.0030597700000000, -0.0010841900000000, -0.0007135900000000 ] - [ 0.0009335800000000, -0.0006379000000000, 0.0013781700000000 ] - [ -0.0012319300000000, 0.0016427400000000, -0.0011402800000000 ] - [ 0.0001858500000000, -0.0012409100000000, -0.0054642400000000 ] - [ -0.0002070900000000, -0.0002464900000000, 0.0033538000000000 ] - [ 0.0025437900000000, 0.0027615200000000, -0.0027605100000000 ] - [ -0.0004373800000000, -0.0008756100000000, 0.0018234600000000 ] - [ 0.0000691200000000, -0.0017940700000000, 0.0019658900000000 ] - [ 0.0020684800000000, 0.0016037600000000, 0.0001592500000000 ] - [ 0.0004847200000000, -0.0007726200000000, 0.0020228500000000 ] - [ -0.0104335700000000, 0.0020288600000000, 0.0089990100000000 ] - [ -0.0039105200000000, -0.0009120800000000, 0.0043729300000000 ] - [ 0.0015028400000000, 0.0004370500000000, 0.0035421800000000 ] - [ 0.0001349200000000, -0.0009144000000000, 0.0000134600000000 ] - [ 0.0000053600000000, 0.0002475000000000, 0.0023335400000000 ] - [ -0.0002618300000000, -0.0008220400000000, 0.0012591400000000 ] - [ -0.0007543300000000, 0.0023549200000000, 0.0008454400000000 ] - [ 0.1019572800000000, 0.0172662500000000, -0.1245874000000000 ] - [ -0.0006429700000000, 0.0001477700000000, 0.0028475900000000 ] - [ -0.0003274000000000, -0.0005384400000000, -0.0025854300000000 ] - [ 0.0002156300000000, -0.0007276800000000, 0.0021079300000000 ] - [ 0.0005255200000000, -0.0011269300000000, -0.0029976500000000 ] - [ 0.0000104400000000, -0.0009754500000000, 0.0016468400000000 ] - [ -0.0070944600000000, 0.0024010600000000, -0.0071336500000000 ] - [ 0.0001075900000000, -0.0004113100000000, 0.0022712700000000 ] - [ 0.0019074500000000, -0.0006349800000000, 0.0026502800000000 ] - [ -0.0017100700000000, -0.0000653300000000, 0.0052488100000000 ] - [ -0.0034165500000000, -0.0078271500000000, -0.0054072800000000 ] - [ -0.0008239200000000, 0.0004331200000000, 0.0016584700000000 ] - [ 0.0008715900000000, -0.0010896300000000, -0.0030286600000000 ] - [ -0.0002279300000000, 0.0001640300000000, 0.0019869100000000 ] - [ 0.0009335200000000, 0.0037108800000000, 0.0005739200000000 ] - [ -0.0008310400000000, -0.0011199500000000, 0.0045811500000000 ] - [ 0.0015409900000000, 0.0022019100000000, -0.0068337800000000 ] - [ 0.0000229000000000, -0.0001052300000000, 0.0046173700000000 ] - [ -0.0002341300000000, 0.0003523900000000, -0.0019157500000000 ] - [ 0.0004844400000000, 0.0002828700000000, 0.0018931000000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0011421100000000, -0.0004891400000000, 0.0001381100000000 ] - [ 0.0002106100000000, -0.0002122100000000, 0.0001354100000000 ] - [ 0.0017165400000000, -0.0009834100000000, 0.0001302900000000 ] - [ 0.0001032900000000, -0.0000378700000000, 0.0001364700000000 ] - [ -0.0031665300000000, -0.0005744700000000, -0.0008761700000000 ] - [ -0.0000048200000000, -0.0001662300000000, 0.0000097800000000 ] - [ 0.0009816400000000, 0.0058717900000000, 0.0049449800000000 ] - [ 0.0000633900000000, 0.0002094500000000, -0.0000679000000000 ] - [ 0.0037768800000000, -0.0041442900000000, 0.0061492200000000 ] - [ 0.0002664300000000, 0.0000058400000000, -0.0002135300000000 ] - [ 0.0060766700000000, 0.0036603700000000, -0.0087386100000000 ] - [ -0.0001016100000000, 0.0001066700000000, 0.0004398200000000 ] - [ -0.0020740700000000, 0.0022339700000000, 0.0027317000000000 ] - [ -0.0002555900000000, 0.0001898700000000, -0.0001360300000000 ] - [ 0.0039674400000000, -0.0009426700000000, -0.0040028600000000 ] - [ -0.0001634000000000, -0.0000283200000000, 0.0001486000000000 ] - [ 0.0175001700000000, 0.0181820100000000, -0.0072212000000000 ] - [ -0.0002324600000000, -0.0000676100000000, 0.0000178200000000 ] - [ 0.0024752200000000, -0.0001463600000000, -0.0004194500000000 ] - [ 0.0021584900000000, -0.0001250900000000, 0.0022976600000000 ] - [ 0.0053705200000000, 0.0002061400000000, -0.0001491900000000 ] - [ 0.0000071800000000, 0.0000136400000000, -0.0001384100000000 ] - [ -0.0034691800000000, 0.0000567600000000, -0.0001335000000000 ] - [ 0.0004848900000000, 0.0000149600000000, -0.0001242300000000 ] - [ 0.0407746900000000, -0.0201320200000000, 0.0119166800000000 ] - [ 0.0000600400000000, -0.0002131500000000, -0.0000681800000000 ] - [ -0.0005438000000000, 0.0013908300000000, -0.0002330200000000 ] - [ 0.0000243600000000, 0.0013506300000000, -0.0011783000000000 ] - [ 0.0002810600000000, -0.0019543900000000, 0.0005613500000000 ] - [ 0.0004606200000000, -0.0011954000000000, -0.0011782000000000 ] - [ -0.0036017800000000, -0.0207234300000000, -0.0049471500000000 ] - [ 0.0000770700000000, 0.0001888500000000, -0.0000372200000000 ] - [ -0.0024694800000000, 0.0114550400000000, 0.0014214600000000 ] - [ 0.0002577600000000, 0.0002374200000000, -0.0001203400000000 ] - [ -0.0022085800000000, -0.0005666500000000, -0.0047904100000000 ] - [ -0.0002581100000000, -0.0003836100000000, 0.0005829400000000 ] - [ 0.0181474100000000, 0.0008737300000000, 0.0018736100000000 ] - [ 0.0000811300000000, 0.0002168000000000, 0.0000163700000000 ] - [ 0.0002707100000000, -0.0002428600000000, -0.0043638200000000 ] - [ -0.0003910100000000, 0.0005011600000000, 0.0006572600000000 ] - [ -0.4541557800000000, 0.0024501600000000, 0.0047089600000000 ] - [ -0.0001523700000000, -0.0000003000000000, -0.0000199500000000 ] - [ 0.0010051300000000, 0.0004330800000000, -0.0000265700000000 ] - [ 0.0010072500000000, -0.0004395000000000, -0.0000168000000000 ] - [ -0.0014699600000000, -0.0125571900000000, -0.0032985000000000 ] - [ 0.0000029500000000, -0.0005325600000000, 0.0000853100000000 ] - [ -0.0015408500000000, -0.0028868800000000, 0.0091329100000000 ] - [ -0.0003976200000000, -0.0001693000000000, -0.0012551100000000 ] - [ 0.0006029600000000, 0.0028782300000000, -0.0017710200000000 ] - [ -0.0001243100000000, 0.0004061000000000, 0.0005325100000000 ] - [ -0.0018742000000000, -0.0062041400000000, -0.0013225600000000 ] - [ 0.0000995400000000, -0.0002396300000000, 0.0002696400000000 ] - [ 0.0005207800000000, -0.0032031200000000, 0.0005158100000000 ] - [ -0.0001219000000000, -0.0000406200000000, 0.0001152500000000 ] - [ -0.0018118400000000, -0.0002797800000000, -0.0024000000000000 ] - [ -0.0015285000000000, -0.0002503100000000, 0.0006785600000000 ] - [ 0.0014794500000000, -0.0005421600000000, 0.0006162300000000 ] - [ 0.0001804300000000, -0.0002678200000000, 0.0003619300000000 ] - [ -0.0003722800000000, -0.0004085200000000, 0.0011675100000000 ] - [ -0.0004631400000000, -0.0005306800000000, -0.0002753200000000 ] - [ -0.0000887000000000, 0.0011798300000000, 0.0013107100000000 ] - [ 0.0001445200000000, 0.0008011000000000, -0.0003362900000000 ] - [ 0.0011879000000000, 0.0008061500000000, 0.0011268300000000 ] - [ 0.0002040900000000, 0.0009580700000000, 0.0001394300000000 ] - [ -0.0012267900000000, 0.0004079900000000, 0.0017161600000000 ] - [ 0.0001416100000000, -0.0001953200000000, -0.0003449200000000 ] - [ -0.0062496200000000, 0.0007104600000000, -0.0001281300000000 ] - [ -0.0003860500000000, 0.0000640000000000, -0.0000893100000000 ] - [ 0.2127520000000000, 0.0227770100000000, 0.0605794900000000 ] - [ 0.0002030400000000, 0.0006242300000000, -0.0002422800000000 ] - [ 0.0003784100000000, 0.0037225600000000, 0.0013547400000000 ] - [ 0.0003007300000000, 0.0004330300000000, -0.0003494300000000 ] - [ -0.0026126000000000, -0.0059148000000000, 0.0000195000000000 ] - [ 0.0002629300000000, 0.0001625800000000, -0.0000889400000000 ] - [ -0.0003906100000000, 0.0005151300000000, -0.0002120400000000 ] - [ -0.0003945000000000, 0.0006414300000000, -0.0001213700000000 ] - [ -0.0002644100000000, 0.0002471900000000, -0.0000250900000000 ] - [ -0.0001100500000000, 0.0007563600000000, -0.0009698700000000 ] - [ -0.0056968400000000, -0.0006856600000000, -0.0020078800000000 ] - [ -0.0004471800000000, -0.0002634800000000, 0.0001243700000000 ] - [ 0.0016021100000000, -0.0004007800000000, -0.0001983400000000 ] - [ 0.0001557400000000, -0.0002570700000000, -0.0001400900000000 ] - [ 0.0013685600000000, -0.0004696100000000, 0.0014962700000000 ] - [ 0.0008141200000000, -0.0007329600000000, 0.0000996700000000 ] - [ -0.0002931000000000, -0.0014356200000000, -0.0005631600000000 ] - [ -0.0005455800000000, -0.0009838900000000, 0.0002782000000000 ] - [ -0.0003561200000000, 0.0054029500000000, 0.0063522900000000 ] - [ 0.0000985100000000, 0.0002673400000000, -0.0001059200000000 ] - [ -0.0072391000000000, 0.0028113200000000, -0.0108275300000000 ] - [ 0.0002562400000000, -0.0002429700000000, 0.0001721200000000 ] - [ 0.0017158400000000, -0.0004018800000000, -0.0029462700000000 ] - [ 0.0012797000000000, -0.0000888800000000, -0.0005259900000000 ] - [ 0.0074539100000000, 0.0010765400000000, -0.0000746300000000 ] - [ 0.0000663700000000, 0.0002804300000000, 0.0000628600000000 ] - [ -0.0102082500000000, -0.0008111500000000, -0.0006615700000000 ] - [ -0.0003913800000000, -0.0000538700000000, -0.0000338200000000 ] - [ 0.0650844700000000, 0.0664916200000000, -0.0244825800000000 ] - [ 0.0005928000000000, -0.0003267200000000, -0.0002822000000000 ] - [ -0.0041752900000000, 0.0102154400000000, -0.0005668700000000 ] - [ -0.0003013600000000, 0.0001154700000000, 0.0002367400000000 ] - [ -0.0014049300000000, -0.0004292400000000, 0.0006452200000000 ] - [ -0.0001755600000000, 0.0001044900000000, 0.0006369400000000 ] - [ 0.1049563000000000, -0.0915060300000000, -0.0406672500000000 ] - [ -0.0005421900000000, -0.0003103000000000, -0.0002820900000000 ] - [ -0.0169188900000000, 0.0006261600000000, 0.0024644600000000 ] - [ -0.0000642800000000, 0.0001870300000000, 0.0000512200000000 ] - [ -0.0022963200000000, -0.0021380600000000, 0.0043456900000000 ] - [ -0.0001536900000000, -0.0001501800000000, -0.0001785700000000 ] - [ 0.0347187400000000, -0.0004657800000000, -0.0002485200000000 ] - [ 0.0005761900000000, -0.0000296200000000, 0.0006380800000000 ] - [ -0.0022988200000000, 0.0147792300000000, 0.0008335300000000 ] - [ 0.0002357500000000, -0.0001230600000000, 0.0000458200000000 ]- atom: 41 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0011426400000000, 0.0005013600000000, 0.0001383800000000 ] - [ -0.0002105100000000, 0.0002128200000000, 0.0001357200000000 ] - [ -0.0017164600000000, 0.0009923600000000, 0.0001306400000000 ] - [ -0.0001032000000000, 0.0000388900000000, 0.0001369000000000 ] - [ 0.0033459300000000, 0.0002677000000000, 0.0009380600000000 ] - [ 0.0001729500000000, -0.0001330200000000, 0.0000501500000000 ] - [ -0.0008011700000000, -0.0055744600000000, -0.0049022300000000 ] - [ 0.0001147200000000, 0.0000913500000000, 0.0001285400000000 ] - [ -0.0034433100000000, 0.0040859600000000, -0.0060463200000000 ] - [ 0.0000682600000000, -0.0000146300000000, 0.0002732300000000 ] - [ -0.0063093400000000, -0.0040071400000000, 0.0088710500000000 ] - [ -0.0000770600000000, -0.0004101200000000, -0.0003794000000000 ] - [ 0.0018931400000000, -0.0019625700000000, -0.0026828000000000 ] - [ 0.0000874100000000, 0.0001087100000000, 0.0001966900000000 ] - [ -0.0043062900000000, 0.0009382000000000, 0.0040306400000000 ] - [ -0.0001715500000000, 0.0000358800000000, -0.0000881000000000 ] - [ -0.0179796600000000, -0.0180319100000000, 0.0070785600000000 ] - [ -0.0001986800000000, 0.0000405900000000, -0.0000770400000000 ] - [ -0.0026683000000000, -0.0002429300000000, 0.0003562700000000 ] - [ -0.0023490700000000, -0.0002659000000000, -0.0023075800000000 ] - [ -0.0053697800000000, -0.0002350100000000, -0.0001482300000000 ] - [ -0.0000146600000000, -0.0000114800000000, -0.0001378200000000 ] - [ 0.0034746800000000, -0.0000599700000000, -0.0001328600000000 ] - [ -0.0004827100000000, -0.0000195400000000, -0.0001241000000000 ] - [ -0.0408372700000000, 0.0197804500000000, -0.0121806600000000 ] - [ 0.0001807800000000, -0.0001472400000000, 0.0000115200000000 ] - [ 0.0003102100000000, -0.0010298500000000, 0.0001739100000000 ] - [ -0.0002599400000000, -0.0009903300000000, 0.0011211500000000 ] - [ 0.0001483900000000, 0.0019807700000000, -0.0006211300000000 ] - [ -0.0000308500000000, 0.0012210400000000, 0.0011271900000000 ] - [ 0.0037792800000000, 0.0210756700000000, 0.0048487900000000 ] - [ 0.0001174300000000, 0.0001998800000000, -0.0000223300000000 ] - [ 0.0030693000000000, -0.0112519600000000, -0.0014329900000000 ] - [ 0.0003241200000000, -0.0000234300000000, 0.0001076200000000 ] - [ 0.0026802300000000, 0.0001877800000000, 0.0047880800000000 ] - [ 0.0007311200000000, 0.0000156600000000, -0.0005974200000000 ] - [ -0.0185646300000000, -0.0005176700000000, -0.0018803800000000 ] - [ -0.0005551000000000, 0.0001676100000000, -0.0000292200000000 ] - [ -0.0001897900000000, 0.0008590400000000, 0.0043538000000000 ] - [ 0.0004625800000000, 0.0001113700000000, -0.0006693400000000 ] - [ 0.4670926500000000, 0.0024492500000000, 0.0048074600000000 ] - [ 0.0001582000000000, -0.0000001600000000, -0.0000203900000000 ] - [ -0.0010106500000000, -0.0004361100000000, -0.0000271700000000 ] - [ -0.0010083200000000, 0.0004306000000000, -0.0000172700000000 ] - [ 0.0014034700000000, 0.0119829200000000, 0.0033102100000000 ] - [ -0.0000992700000000, -0.0000794600000000, -0.0000966800000000 ] - [ 0.0009740600000000, 0.0026743300000000, -0.0091624800000000 ] - [ -0.0001603900000000, -0.0000465600000000, 0.0012523000000000 ] - [ -0.0008347400000000, -0.0024815000000000, 0.0021461400000000 ] - [ -0.0001087300000000, -0.0000100700000000, -0.0001633300000000 ] - [ 0.0021269100000000, 0.0058098900000000, 0.0016994300000000 ] - [ 0.0001297900000000, -0.0001538000000000, 0.0001006100000000 ] - [ -0.0009659000000000, 0.0035589400000000, -0.0005914900000000 ] - [ -0.0003179400000000, 0.0003897900000000, -0.0001902700000000 ] - [ 0.0016779600000000, -0.0003287700000000, 0.0024553000000000 ] - [ 0.0013841700000000, -0.0003612100000000, -0.0006406000000000 ] - [ -0.0017102900000000, 0.0001408000000000, -0.0002492200000000 ] - [ -0.0004061400000000, -0.0001336500000000, 0.0000042700000000 ] - [ -0.0000841800000000, 0.0008279600000000, -0.0011143400000000 ] - [ 0.0000107300000000, 0.0009525200000000, 0.0003248500000000 ] - [ 0.0006876800000000, -0.0009995300000000, -0.0012631900000000 ] - [ 0.0004580300000000, -0.0006254000000000, 0.0003809800000000 ] - [ -0.0013836300000000, -0.0001823200000000, -0.0013433900000000 ] - [ -0.0003898900000000, -0.0003208800000000, -0.0003249600000000 ] - [ 0.0016926500000000, -0.0004137400000000, -0.0013365500000000 ] - [ 0.0003324900000000, 0.0001842900000000, 0.0007079300000000 ] - [ 0.0055894200000000, -0.0005408700000000, -0.0000735400000000 ] - [ -0.0002510100000000, 0.0000714600000000, -0.0001236500000000 ] - [ -0.2263765400000000, -0.0234563100000000, -0.0665657900000000 ] - [ -0.0000778800000000, 0.0006594200000000, -0.0002977200000000 ] - [ 0.0001315300000000, -0.0035321700000000, -0.0014384400000000 ] - [ 0.0002203500000000, -0.0002331900000000, 0.0002773600000000 ] - [ 0.0030520500000000, 0.0064176000000000, -0.0002213400000000 ] - [ 0.0001778500000000, 0.0003234800000000, -0.0001212600000000 ] - [ -0.0006535800000000, 0.0002444400000000, -0.0003223700000000 ] - [ -0.0006544300000000, 0.0001235800000000, -0.0004161400000000 ] - [ 0.0014432000000000, 0.0002824600000000, -0.0005077600000000 ] - [ 0.0012888000000000, -0.0002170700000000, 0.0004212900000000 ] - [ 0.0055756500000000, 0.0001411300000000, 0.0018936600000000 ] - [ 0.0003645800000000, -0.0002817800000000, -0.0001960400000000 ] - [ -0.0014103300000000, -0.0002060700000000, -0.0000101700000000 ] - [ 0.0000477800000000, -0.0003623300000000, -0.0000718600000000 ] - [ -0.0007302300000000, 0.0003303100000000, -0.0017132300000000 ] - [ -0.0001577200000000, 0.0005844700000000, -0.0002900700000000 ] - [ 0.0001614200000000, 0.0001520000000000, 0.0000279700000000 ] - [ 0.0004166400000000, -0.0002934000000000, -0.0008202400000000 ] - [ 0.0004514100000000, -0.0048827000000000, -0.0064454100000000 ] - [ -0.0000135400000000, 0.0002734000000000, 0.0000351900000000 ] - [ 0.0076569300000000, -0.0031454500000000, 0.0107477400000000 ] - [ 0.0001772200000000, -0.0001063500000000, -0.0002524100000000 ] - [ -0.0021666300000000, -0.0000874300000000, 0.0027348600000000 ] - [ -0.0017501800000000, -0.0003962900000000, 0.0003294400000000 ] - [ -0.0073439800000000, -0.0004810000000000, 0.0001346900000000 ] - [ 0.0000644500000000, 0.0003276900000000, -0.0000100100000000 ] - [ 0.0095855200000000, 0.0005901900000000, 0.0007370800000000 ] - [ -0.0002073200000000, -0.0001286900000000, 0.0000790400000000 ] - [ -0.0644827400000000, -0.0661326300000000, 0.0234968000000000 ] - [ 0.0004536500000000, -0.0004307700000000, -0.0002546000000000 ] - [ 0.0037269800000000, -0.0102427300000000, 0.0009484800000000 ] - [ -0.0001612700000000, -0.0001118100000000, 0.0001369100000000 ] - [ 0.0014072900000000, 0.0004407400000000, 0.0006450200000000 ] - [ 0.0001783600000000, -0.0000981100000000, 0.0006370600000000 ] - [ -0.1044215500000000, 0.0870053400000000, 0.0383989700000000 ] - [ -0.0006332200000000, -0.0002202700000000, -0.0002559200000000 ] - [ 0.0171543900000000, -0.0002176900000000, -0.0020734400000000 ] - [ 0.0002915500000000, 0.0002109800000000, 0.0003188400000000 ] - [ 0.0018062200000000, 0.0019416100000000, -0.0044306600000000 ] - [ -0.0003634500000000, -0.0000491500000000, 0.0001072600000000 ] - [ -0.0347969900000000, 0.0004520300000000, -0.0002492000000000 ] - [ -0.0005804900000000, 0.0000250800000000, 0.0006377000000000 ] - [ 0.0027613800000000, -0.0152565900000000, -0.0007744200000000 ] - [ 0.0002211200000000, -0.0002985800000000, 0.0000052600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0027944800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017065000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004176400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011744500000000 ] - [ 0.0007502900000000, -0.0034355500000000, 0.0020775900000000 ] - [ -0.0003035100000000, 0.0007493300000000, 0.0018932100000000 ] - [ 0.0026001300000000, 0.0023675500000000, 0.0020775900000000 ] - [ -0.0004971800000000, -0.0006375100000000, 0.0018932100000000 ] - [ 0.0064624200000000, -0.0061731700000000, -0.0048765100000000 ] - [ 0.0000467300000000, 0.0000127400000000, 0.0018261200000000 ] - [ -0.0085773300000000, -0.0025100400000000, -0.0048765100000000 ] - [ -0.0000123400000000, -0.0000468400000000, 0.0018261200000000 ] - [ 0.0021149100000000, 0.0086832000000000, -0.0048765100000000 ] - [ -0.0000344000000000, 0.0000341000000000, 0.0018261200000000 ] - [ -0.0033504200000000, 0.0010680000000000, 0.0020775900000000 ] - [ 0.0008006900000000, -0.0001118100000000, 0.0018932100000000 ] - [ -0.0123881000000000, -0.0094188300000000, 0.0010118700000000 ] - [ 0.0000040700000000, -0.0002797300000000, 0.0040375000000000 ] - [ 0.0000385600000000, 0.0001049500000000, 0.0034999400000000 ] - [ 0.0011150300000000, -0.0007506600000000, -0.0031147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011823500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025850200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0452419900000000 ] - [ 0.0143510000000000, -0.0060190000000000, 0.0010118700000000 ] - [ 0.0002402200000000, 0.0001433900000000, 0.0040375000000000 ] - [ 0.0000716100000000, -0.0000858700000000, 0.0034999400000000 ] - [ -0.0012076100000000, -0.0005903100000000, -0.0031147400000000 ] - [ -0.0001101700000000, -0.0000190800000000, 0.0034999400000000 ] - [ 0.0000925800000000, 0.0013409800000000, -0.0031147400000000 ] - [ -0.0019628900000000, 0.0154378300000000, 0.0010118700000000 ] - [ -0.0002442900000000, 0.0001363400000000, 0.0040375000000000 ] - [ 0.0004396500000000, -0.0013598100000000, -0.0116605500000000 ] - [ 0.0003489200000000, 0.0003848100000000, 0.0042020600000000 ] - [ 0.0002773800000000, 0.0017814800000000, 0.0038227400000000 ] - [ 0.0007393700000000, -0.0104766800000000, 0.0036087600000000 ] - [ 0.0009578100000000, 0.0010606500000000, -0.0116605500000000 ] - [ -0.0005077100000000, 0.0001097700000000, 0.0042020600000000 ] - [ -0.0016814900000000, -0.0006505200000000, 0.0038227400000000 ] - [ 0.0087033900000000, 0.0058786500000000, 0.0036087600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4831053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0050893900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014035900000000 ] - [ -0.0013974600000000, 0.0002991600000000, -0.0116605500000000 ] - [ 0.0001588000000000, -0.0004945700000000, 0.0042020600000000 ] - [ 0.0014041100000000, -0.0011309500000000, 0.0038227400000000 ] - [ -0.0094427600000000, 0.0045980300000000, 0.0036087600000000 ] - [ -0.0003723900000000, 0.0011193100000000, -0.0015114400000000 ] - [ 0.0013113600000000, -0.0019836100000000, -0.0002029200000000 ] - [ 0.0031483300000000, 0.0045088000000000, 0.0049900300000000 ] - [ -0.0000347000000000, -0.0007179400000000, -0.0018901500000000 ] - [ 0.0018327800000000, 0.0039067700000000, 0.0074636000000000 ] - [ -0.0003641100000000, 0.0000377000000000, -0.0035400600000000 ] - [ -0.0011468100000000, -0.0003939600000000, -0.0020624800000000 ] - [ 0.0027563600000000, -0.0006938300000000, 0.0016019700000000 ] - [ -0.0007831500000000, -0.0008821500000000, -0.0015114400000000 ] - [ 0.0010621800000000, 0.0021274800000000, -0.0002029200000000 ] - [ 0.0002322200000000, 0.0011901400000000, -0.0020624800000000 ] - [ -0.0019790500000000, -0.0020401600000000, 0.0016019700000000 ] - [ 0.0009145900000000, -0.0007961800000000, -0.0020624800000000 ] - [ -0.0007773100000000, 0.0027339900000000, 0.0016019700000000 ] - [ 0.0003259400000000, 0.0007379000000000, -0.0028066700000000 ] - [ -0.0063898300000000, -0.0079457700000000, -0.0106025100000000 ] - [ 0.0011555400000000, -0.0002371500000000, -0.0015114400000000 ] - [ -0.0023735400000000, -0.0001438600000000, -0.0002029200000000 ] - [ 0.0008860800000000, 0.0003999500000000, 0.0026724300000000 ] - [ -0.0002598100000000, -0.0003665600000000, -0.0017670500000000 ] - [ 0.0632423700000000, 0.0096458800000000, 0.0607946900000000 ] - [ -0.0005338900000000, 0.0007033700000000, -0.0024972000000000 ] - [ 0.0024669800000000, -0.0035406200000000, 0.0074636000000000 ] - [ 0.0002147100000000, 0.0002964800000000, -0.0035400600000000 ] - [ -0.0000966800000000, -0.0009673400000000, 0.0026724300000000 ] - [ -0.0001875500000000, 0.0004082800000000, -0.0017670500000000 ] - [ -0.0006831000000000, 0.0004024700000000, -0.0014998000000000 ] - [ -0.0004333900000000, -0.0005259500000000, 0.0001543600000000 ] - [ 0.0006901000000000, 0.0003903500000000, -0.0014998000000000 ] - [ -0.0002387900000000, 0.0006383000000000, 0.0001543600000000 ] - [ -0.0042997500000000, -0.0003661500000000, 0.0074636000000000 ] - [ 0.0001494100000000, -0.0003341800000000, -0.0035400600000000 ] - [ -0.0007894000000000, 0.0005673900000000, 0.0026724300000000 ] - [ 0.0004473500000000, -0.0000417200000000, -0.0017670500000000 ] - [ 0.0004760700000000, -0.0006512300000000, -0.0028066700000000 ] - [ -0.0036863300000000, 0.0095066500000000, -0.0106025100000000 ] - [ -0.0000070000000000, -0.0007928200000000, -0.0014998000000000 ] - [ 0.0006721800000000, -0.0001123500000000, 0.0001543600000000 ] - [ 0.0005564800000000, -0.0013713700000000, -0.0022235600000000 ] - [ -0.0003797300000000, 0.0021890400000000, -0.0040776900000000 ] - [ -0.0014658800000000, 0.0002037600000000, -0.0022235600000000 ] - [ 0.0020856300000000, -0.0007656600000000, -0.0040776900000000 ] - [ -0.0008020100000000, -0.0000866800000000, -0.0028066700000000 ] - [ 0.0100761600000000, -0.0015608700000000, -0.0106025100000000 ] - [ -0.0029780700000000, -0.0034766100000000, 0.0029014800000000 ] - [ 0.0008755600000000, 0.0004730600000000, -0.0021461700000000 ] - [ 0.0044998700000000, -0.0008407800000000, 0.0029014800000000 ] - [ -0.0008474600000000, 0.0005217200000000, -0.0021461700000000 ] - [ -0.0232676100000000, -0.0595924400000000, 0.0607946900000000 ] - [ 0.0008760800000000, 0.0001106800000000, -0.0024972000000000 ] - [ 0.0023305700000000, -0.0049809300000000, 0.0049900300000000 ] - [ -0.0006044100000000, 0.0003890200000000, -0.0018901500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002410100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014647500000000 ] - [ -0.0399747600000000, 0.0499465600000000, 0.0607946900000000 ] - [ -0.0003421900000000, -0.0008140500000000, -0.0024972000000000 ] - [ -0.0054789000000000, 0.0004721300000000, 0.0049900300000000 ] - [ 0.0006391100000000, 0.0003289200000000, -0.0018901500000000 ] - [ 0.0009094000000000, 0.0011676100000000, -0.0022235600000000 ] - [ -0.0017059000000000, -0.0014233700000000, -0.0040776900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2773036700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041183400000000 ] - [ -0.0015217900000000, 0.0043173900000000, 0.0029014800000000 ] - [ -0.0000281000000000, -0.0009947900000000, -0.0021461700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0030601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001368500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009047100000000 ] - [ -0.0005867600000000, 0.0031593400000000, -0.0020105600000000 ] - [ 0.0004703500000000, -0.0010482200000000, -0.0018345300000000 ] - [ -0.0024426900000000, -0.0020878200000000, -0.0020105600000000 ] - [ 0.0006726200000000, 0.0009314500000000, -0.0018345300000000 ] - [ -0.0060830700000000, 0.0061375200000000, 0.0049251000000000 ] - [ 0.0003011900000000, -0.0000180700000000, -0.0017686000000000 ] - [ 0.0083567900000000, 0.0021993300000000, 0.0049251000000000 ] - [ -0.0001662400000000, -0.0002518000000000, -0.0017686000000000 ] - [ -0.0022737100000000, -0.0083368600000000, 0.0049251000000000 ] - [ -0.0001349500000000, 0.0002698700000000, -0.0017686000000000 ] - [ 0.0030294400000000, -0.0010715200000000, -0.0020105600000000 ] - [ -0.0011429600000000, 0.0001167800000000, -0.0018345300000000 ] - [ 0.0120129300000000, 0.0094164000000000, -0.0009950800000000 ] - [ -0.0004346900000000, 0.0002514500000000, -0.0041017800000000 ] - [ -0.0002300100000000, -0.0004961200000000, -0.0035627100000000 ] - [ -0.0013056400000000, 0.0003637600000000, 0.0030443300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028654000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0061521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0451430200000000 ] - [ -0.0141613100000000, 0.0056953000000000, -0.0009950800000000 ] - [ -0.0000004100000000, -0.0005021800000000, -0.0041017800000000 ] - [ -0.0003146400000000, 0.0004472600000000, -0.0035627100000000 ] - [ 0.0009678400000000, 0.0009488400000000, 0.0030443300000000 ] - [ 0.0005446600000000, 0.0000488600000000, -0.0035627100000000 ] - [ 0.0003378000000000, -0.0013126000000000, 0.0030443300000000 ] - [ 0.0021483800000000, -0.0151117100000000, -0.0009950800000000 ] - [ 0.0004351100000000, 0.0002507300000000, -0.0041017800000000 ] - [ 0.0001350300000000, 0.0015872300000000, 0.0116313800000000 ] - [ 0.0002261000000000, -0.0001651700000000, -0.0042186200000000 ] - [ 0.0002018100000000, -0.0021926400000000, -0.0038255400000000 ] - [ -0.0002633800000000, 0.0100653400000000, -0.0036256200000000 ] - [ -0.0014420900000000, -0.0006766700000000, 0.0116313800000000 ] - [ 0.0000299900000000, 0.0002783900000000, -0.0042186200000000 ] - [ 0.0017979700000000, 0.0012710900000000, -0.0038255400000000 ] - [ -0.0085851500000000, -0.0052607600000000, -0.0036256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4624514500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0051448900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014458900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014578800000000 ] - [ 0.0013070600000000, -0.0009105500000000, 0.0116313800000000 ] - [ -0.0002560900000000, -0.0001132200000000, -0.0042186200000000 ] - [ -0.0019997800000000, 0.0009215500000000, -0.0038255400000000 ] - [ 0.0088485300000000, -0.0048045800000000, -0.0036256200000000 ] - [ 0.0001494800000000, -0.0007223600000000, 0.0018795200000000 ] - [ -0.0015328400000000, 0.0023882700000000, 0.0005820300000000 ] - [ -0.0028975300000000, -0.0048886400000000, -0.0046058900000000 ] - [ 0.0002596300000000, 0.0003138200000000, 0.0022650900000000 ] - [ -0.0022585700000000, -0.0035458400000000, -0.0075057200000000 ] - [ -0.0000671600000000, 0.0003150300000000, 0.0034794300000000 ] - [ 0.0010114700000000, -0.0002153300000000, 0.0021086000000000 ] - [ -0.0028935900000000, 0.0000838700000000, -0.0015531400000000 ] - [ 0.0005508400000000, 0.0004906400000000, 0.0018795200000000 ] - [ -0.0013018800000000, -0.0025216200000000, 0.0005820300000000 ] - [ -0.0006922200000000, -0.0007682900000000, 0.0021086000000000 ] - [ 0.0015194300000000, 0.0024639900000000, -0.0015531400000000 ] - [ -0.0003192500000000, 0.0009836200000000, 0.0021086000000000 ] - [ 0.0013741600000000, -0.0025478600000000, -0.0015531400000000 ] - [ -0.0005451900000000, -0.0001328400000000, 0.0026083600000000 ] - [ 0.0061735400000000, 0.0085612200000000, 0.0103846000000000 ] - [ -0.0007003200000000, 0.0002317200000000, 0.0018795200000000 ] - [ 0.0028347200000000, 0.0001333500000000, 0.0005820300000000 ] - [ -0.0015143400000000, -0.0002729900000000, -0.0028829600000000 ] - [ -0.0003738400000000, 0.0004953000000000, 0.0015611000000000 ] - [ -0.0636996000000000, -0.0085000600000000, -0.0607673400000000 ] - [ 0.0006667800000000, 0.0005824200000000, 0.0019575700000000 ] - [ -0.0019415000000000, 0.0037289000000000, -0.0075057200000000 ] - [ 0.0003064100000000, -0.0000993500000000, 0.0034794300000000 ] - [ 0.0005207500000000, 0.0014479500000000, -0.0028829600000000 ] - [ 0.0006158600000000, 0.0000761000000000, 0.0015611000000000 ] - [ -0.0003655100000000, 0.0003521300000000, 0.0009544800000000 ] - [ -0.0006127300000000, 0.0012867800000000, -0.0006909300000000 ] - [ 0.0004877000000000, 0.0001404800000000, 0.0009544800000000 ] - [ 0.0014207500000000, -0.0001127500000000, -0.0006909300000000 ] - [ 0.0042000800000000, -0.0001830600000000, -0.0075057200000000 ] - [ -0.0002392500000000, -0.0002156800000000, 0.0034794300000000 ] - [ 0.0009935900000000, -0.0011749600000000, -0.0028829600000000 ] - [ -0.0002420200000000, -0.0005714000000000, 0.0015611000000000 ] - [ 0.0001575500000000, 0.0005385600000000, 0.0026083600000000 ] - [ 0.0043274700000000, -0.0096270600000000, 0.0103846000000000 ] - [ -0.0001222000000000, -0.0004926000000000, 0.0009544800000000 ] - [ -0.0008080200000000, -0.0011740300000000, -0.0006909300000000 ] - [ -0.0004700200000000, 0.0019328700000000, 0.0021339900000000 ] - [ 0.0004692900000000, -0.0016371000000000, 0.0040182300000000 ] - [ 0.0019089200000000, -0.0005593900000000, 0.0021339900000000 ] - [ -0.0016524100000000, 0.0004121300000000, 0.0040182300000000 ] - [ 0.0003876300000000, -0.0004057300000000, 0.0026083600000000 ] - [ -0.0105010100000000, 0.0010658300000000, 0.0103846000000000 ] - [ 0.0031124200000000, 0.0040718600000000, -0.0028747300000000 ] - [ -0.0007337400000000, 0.0001375200000000, 0.0021889300000000 ] - [ -0.0050825500000000, 0.0006595100000000, -0.0028747300000000 ] - [ 0.0002477700000000, -0.0007042000000000, 0.0021889300000000 ] - [ 0.0244885300000000, 0.0594155100000000, -0.0607673400000000 ] - [ 0.0001710000000000, -0.0008686500000000, 0.0019575700000000 ] - [ -0.0027849300000000, 0.0049536600000000, -0.0046058900000000 ] - [ 0.0001419600000000, -0.0003817600000000, 0.0022650900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027547300000000 ] - [ 0.0392110700000000, -0.0509154400000000, -0.0607673400000000 ] - [ -0.0008377800000000, 0.0002862400000000, 0.0019575700000000 ] - [ 0.0056824600000000, -0.0000650100000000, -0.0046058900000000 ] - [ -0.0004015900000000, 0.0000679300000000, 0.0022650900000000 ] - [ -0.0014389100000000, -0.0013734800000000, 0.0021339900000000 ] - [ 0.0011831300000000, 0.0012249700000000, 0.0040182300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2576338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054104500000000 ] - [ 0.0019701200000000, -0.0047313700000000, -0.0028747300000000 ] - [ 0.0004859700000000, 0.0005666800000000, 0.0021889300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0000121500000000, 0.0000718800000000, 0.0003031600000000 ] - [ -0.0010554300000000, 0.0009724500000000, -0.0018633100000000 ] - [ -0.0007331400000000, 0.0011266900000000, 0.0011886100000000 ] - [ 0.0000440400000000, 0.0000648800000000, 0.0001397300000000 ] - [ 0.0013243600000000, -0.0003279200000000, -0.0021082400000000 ] - [ 0.0000603600000000, -0.0001432200000000, 0.0001835300000000 ] - [ 0.0004813400000000, -0.0003280600000000, -0.0005904200000000 ] - [ 0.0001157600000000, 0.0001481900000000, 0.0000920100000000 ] - [ 0.0001567400000000, -0.0000339200000000, 0.0000727100000000 ] - [ 0.0001305500000000, 0.0000346500000000, -0.0001491000000000 ] - [ -0.0000332800000000, -0.0002145500000000, 0.0001720200000000 ] - [ 0.0012698800000000, -0.0008092700000000, -0.0001439200000000 ] - [ -0.0001289100000000, 0.0001521800000000, -0.0000541400000000 ] - [ -0.0012147800000000, 0.0001040500000000, 0.0015988300000000 ] - [ -0.0003847900000000, -0.0001389100000000, -0.0000435000000000 ] - [ -0.0002349000000000, -0.0000386000000000, 0.0000417500000000 ] - [ -0.0016478100000000, 0.0003148400000000, -0.0007734300000000 ] - [ -0.0008074200000000, 0.0001360100000000, 0.0001188500000000 ] - [ -0.0088298600000000, -0.0028466000000000, 0.0005552300000000 ] - [ -0.0001090900000000, -0.0002402300000000, 0.0001996800000000 ] - [ -0.0003326800000000, -0.0009457200000000, -0.0012164700000000 ] - [ -0.0000482900000000, -0.0006714500000000, 0.0000946900000000 ] - [ -0.0033391300000000, 0.0047891900000000, 0.0018306700000000 ] - [ 0.0000110400000000, 0.0000096000000000, -0.0000433700000000 ] - [ 0.0026183000000000, 0.0017105400000000, 0.0038486400000000 ] - [ 0.0010198400000000, 0.0002444400000000, -0.0002864900000000 ] - [ -0.0017520600000000, 0.0005882100000000, -0.0001132800000000 ] - [ -0.0001383200000000, 0.0001648500000000, 0.0001159500000000 ] - [ 0.0235888200000000, 0.0178373300000000, -0.0147805000000000 ] - [ 0.0002537800000000, 0.0000070800000000, 0.0000234600000000 ] - [ 0.0003615000000000, 0.0006386900000000, 0.0003986000000000 ] - [ 0.0001842800000000, 0.0002804800000000, 0.0001310200000000 ] - [ -0.0002017500000000, -0.0000647700000000, 0.0003198500000000 ] - [ 0.0001838600000000, 0.0001449300000000, 0.0001393600000000 ] - [ -0.0013401000000000, 0.0031965400000000, 0.0013599700000000 ] - [ 0.0002797300000000, -0.0001975300000000, 0.0001806100000000 ] - [ -0.0009619100000000, -0.0004224000000000, 0.0005216400000000 ] - [ -0.0005793000000000, -0.0002909500000000, -0.0016170100000000 ] - [ -0.0069776300000000, -0.0002328700000000, -0.0015064800000000 ] - [ -0.0000448000000000, 0.0003628500000000, 0.0001325000000000 ] - [ 0.0007248100000000, 0.0008506700000000, -0.0002865600000000 ] - [ -0.0000042500000000, 0.0002399800000000, 0.0013945100000000 ] - [ -0.0020091700000000, -0.0091058600000000, -0.0030499700000000 ] - [ -0.0000173200000000, -0.0000812500000000, 0.0001216300000000 ] - [ 0.0008547600000000, -0.0000916800000000, -0.0003329800000000 ] - [ 0.0003397800000000, -0.0010607500000000, 0.0019776600000000 ] - [ 0.0510630300000000, 0.0521093200000000, 0.0012392100000000 ] - [ -0.0001781900000000, -0.0000289900000000, 0.0001405100000000 ] - [ -0.0779221600000000, -0.0973572800000000, 0.0193819400000000 ] - [ -0.0001545700000000, 0.0001494600000000, 0.0001107700000000 ] - [ 0.0004566000000000, -0.0000768000000000, 0.0002627200000000 ] - [ 0.0004564800000000, -0.0002794700000000, 0.0000710100000000 ] - [ -0.0001545400000000, 0.0002001600000000, -0.0002199600000000 ] - [ 0.0000780600000000, -0.0000345200000000, -0.0002154600000000 ] - [ 0.0115134300000000, 0.0200933300000000, 0.0093078600000000 ] - [ -0.0001327000000000, -0.0003259900000000, -0.0001207200000000 ] - [ 0.0009673300000000, -0.0012437300000000, 0.0005813000000000 ] - [ -0.0001503200000000, -0.0002095900000000, 0.0001046500000000 ] - [ 0.0018145600000000, 0.0006358300000000, -0.0000824000000000 ] - [ -0.0001889300000000, 0.0002261100000000, -0.0000437100000000 ] - [ -0.0014819100000000, -0.0067777000000000, 0.0014571600000000 ] - [ 0.0002886300000000, 0.0000763600000000, -0.0000542700000000 ] - [ 0.0071147200000000, -0.0012200800000000, -0.0005130600000000 ] - [ -0.0000835300000000, 0.0002876900000000, -0.0001627900000000 ] - [ 0.0044515400000000, -0.0007649500000000, -0.0000092400000000 ] - [ 0.0002905800000000, -0.0000481200000000, 0.0001290300000000 ] - [ -0.0002755400000000, 0.0006418900000000, 0.0000426500000000 ] - [ -0.0002889600000000, 0.0006539100000000, 0.0001707900000000 ] - [ -0.0012237600000000, 0.0005410600000000, -0.0008800400000000 ] - [ -0.0003906600000000, 0.0005825900000000, -0.0005572500000000 ] - [ 0.0001231100000000, 0.0000049500000000, -0.0000472300000000 ] - [ -0.0031977500000000, 0.0013143200000000, -0.0050629000000000 ] - [ 0.0005620000000000, 0.0005178500000000, -0.0000055000000000 ] - [ 0.0002216900000000, 0.0004043200000000, -0.0001601200000000 ] - [ 0.0068458200000000, 0.0153720200000000, -0.0027233100000000 ] - [ -0.0005235700000000, 0.0004009200000000, -0.0002992000000000 ] - [ 0.0012124700000000, 0.0051301900000000, -0.0009011600000000 ] - [ 0.0005759400000000, 0.0003517900000000, -0.0003537100000000 ] - [ 0.0001149400000000, -0.0001839900000000, -0.0003162200000000 ] - [ 0.0015546900000000, 0.0000670800000000, 0.0013526200000000 ] - [ -0.0002404100000000, -0.0001602300000000, 0.0006266300000000 ] - [ 0.0002633400000000, 0.0000467800000000, -0.0006951600000000 ] - [ 0.0013530300000000, -0.0025330300000000, -0.0000514600000000 ] - [ 0.0003224400000000, -0.0000361900000000, -0.0001781100000000 ] - [ 0.0014625300000000, 0.0010857000000000, -0.0001471100000000 ] - [ -0.0000275200000000, -0.0006230800000000, -0.0003430300000000 ] - [ -0.0002802900000000, -0.0005673500000000, -0.0003381900000000 ] - [ 0.0000245500000000, 0.0002687900000000, -0.0002288800000000 ] - [ -0.0034099000000000, 0.0102645600000000, -0.0083296000000000 ] - [ 0.0000711100000000, -0.0002283000000000, -0.0000373900000000 ] - [ -0.0044975600000000, -0.0123738900000000, -0.0018367900000000 ] - [ -0.0002624500000000, -0.0002507600000000, -0.0001545100000000 ] - [ 0.0003568600000000, -0.0000394200000000, -0.0003708000000000 ] - [ 0.0000428200000000, 0.0002413500000000, -0.0000321200000000 ] - [ 0.0004743500000000, 0.0000352300000000, -0.0002434700000000 ] - [ 0.0000458200000000, -0.0002684700000000, 0.0003910200000000 ] - [ 0.0007258300000000, -0.0009226900000000, 0.0004475600000000 ] - [ 0.0008029200000000, -0.0003385700000000, -0.0006899100000000 ] - [ -0.0005752900000000, 0.0000535800000000, 0.0000345900000000 ] - [ -0.0009207100000000, 0.0006153400000000, -0.0000903700000000 ] - [ 0.0005386700000000, 0.0018866400000000, 0.0023592400000000 ] - [ 0.0000138300000000, 0.0001264400000000, 0.0004893000000000 ] - [ -0.0006556500000000, -0.0005649000000000, -0.0002986800000000 ] - [ -0.0003976800000000, -0.0004717700000000, -0.0005832100000000 ] - [ 0.0005275600000000, 0.0002200800000000, -0.0007327300000000 ] - [ -0.0001529700000000, 0.0001899900000000, 0.0012389900000000 ] - [ 0.0018764200000000, -0.0000622700000000, 0.0009911900000000 ] - [ -0.0001573700000000, -0.0001299400000000, -0.0001712400000000 ] - [ -0.0001626700000000, -0.0001445400000000, 0.0005705200000000 ] - [ 0.0003288800000000, -0.0007117100000000, -0.0009223400000000 ] - [ -0.0017676500000000, -0.0011024600000000, 0.0000671500000000 ] - [ -0.0001708900000000, -0.0006195600000000, -0.0006627900000000 ]- atom: 49 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0000134300000000, -0.0000705800000000, -0.0000330000000000 ] - [ 0.0010522800000000, -0.0009754600000000, 0.0021443400000000 ] - [ 0.0006299300000000, -0.0011074100000000, -0.0008572800000000 ] - [ -0.0000444000000000, -0.0000654100000000, 0.0001310500000000 ] - [ -0.0009833100000000, 0.0000864100000000, 0.0023143200000000 ] - [ 0.0001057600000000, -0.0001509500000000, -0.0001252900000000 ] - [ -0.0003107500000000, 0.0006124300000000, 0.0006567800000000 ] - [ 0.0000586400000000, 0.0001512100000000, -0.0000329900000000 ] - [ 0.0001743600000000, 0.0000271900000000, -0.0000140800000000 ] - [ 0.0002071100000000, -0.0000403000000000, 0.0002076300000000 ] - [ -0.0001435200000000, -0.0000876900000000, -0.0001122600000000 ] - [ -0.0014543400000000, 0.0005040500000000, 0.0001975900000000 ] - [ -0.0000372300000000, 0.0001415300000000, 0.0001124800000000 ] - [ 0.0010485100000000, 0.0001870800000000, -0.0015283000000000 ] - [ 0.0000535100000000, 0.0001478700000000, 0.0001020800000000 ] - [ -0.0000972200000000, 0.0000466900000000, 0.0000167100000000 ] - [ 0.0012160700000000, -0.0003364400000000, 0.0006998400000000 ] - [ 0.0003793300000000, -0.0001627600000000, -0.0001791900000000 ] - [ 0.0086300800000000, 0.0024616500000000, -0.0006137400000000 ] - [ -0.0000872500000000, -0.0001477200000000, -0.0002599700000000 ] - [ 0.0003252300000000, 0.0009436300000000, 0.0009359100000000 ] - [ 0.0000431800000000, 0.0006793300000000, -0.0003753700000000 ] - [ 0.0034018300000000, -0.0047454200000000, -0.0021161000000000 ] - [ -0.0000045000000000, -0.0000130000000000, -0.0002353400000000 ] - [ -0.0023688800000000, -0.0020601700000000, -0.0038769500000000 ] - [ -0.0007833800000000, -0.0006103100000000, 0.0002242500000000 ] - [ 0.0015106100000000, -0.0002423700000000, 0.0000544500000000 ] - [ -0.0001021400000000, 0.0001954100000000, -0.0001795800000000 ] - [ -0.0235346100000000, -0.0179773600000000, 0.0149439900000000 ] - [ 0.0001761000000000, 0.0000182600000000, -0.0000852700000000 ] - [ -0.0001694000000000, -0.0002548400000000, -0.0004621000000000 ] - [ 0.0000081900000000, 0.0001098700000000, -0.0001948700000000 ] - [ 0.0007825800000000, 0.0002760300000000, -0.0003371200000000 ] - [ 0.0003949300000000, 0.0000680100000000, -0.0001531900000000 ] - [ 0.0018049800000000, -0.0035836900000000, -0.0013478900000000 ] - [ 0.0001946700000000, -0.0001843200000000, -0.0001958400000000 ] - [ 0.0004789600000000, 0.0008073800000000, -0.0005363800000000 ] - [ 0.0001033700000000, 0.0006750600000000, 0.0016090200000000 ] - [ 0.0070572200000000, 0.0008373100000000, 0.0014944300000000 ] - [ 0.0001388300000000, 0.0002496600000000, -0.0001486400000000 ] - [ -0.0007126000000000, -0.0008435900000000, 0.0002418300000000 ] - [ 0.0000109600000000, -0.0002406300000000, -0.0014428800000000 ] - [ 0.0019927700000000, 0.0091010700000000, 0.0030038200000000 ] - [ 0.0000128400000000, 0.0000822100000000, -0.0001663500000000 ] - [ -0.0009422400000000, -0.0005141000000000, 0.0003186100000000 ] - [ -0.0004427000000000, 0.0004602700000000, -0.0020204100000000 ] - [ -0.0510974800000000, -0.0525934500000000, -0.0012037600000000 ] - [ -0.0003988600000000, -0.0001854200000000, -0.0001571700000000 ] - [ 0.0773727700000000, 0.0982467400000000, -0.0193626100000000 ] - [ -0.0000722300000000, 0.0002505500000000, 0.0002637300000000 ] - [ -0.0002285900000000, -0.0003176000000000, 0.0001117700000000 ] - [ -0.0002288700000000, -0.0001154800000000, 0.0002988800000000 ] - [ -0.0002789900000000, 0.0001550000000000, 0.0001523500000000 ] - [ -0.0005138200000000, 0.0003893000000000, 0.0001440800000000 ] - [ -0.0116876900000000, -0.0209305200000000, -0.0094032600000000 ] - [ 0.0000015600000000, -0.0002824100000000, 0.0001761300000000 ] - [ -0.0011950700000000, 0.0008579400000000, -0.0002159100000000 ] - [ -0.0000751100000000, -0.0001885300000000, 0.0002639700000000 ] - [ -0.0022694400000000, -0.0002057800000000, 0.0001304800000000 ] - [ -0.0002685800000000, 0.0001964600000000, 0.0000948800000000 ] - [ 0.0020997200000000, 0.0069642600000000, -0.0014196100000000 ] - [ 0.0003102500000000, 0.0001046800000000, 0.0001016800000000 ] - [ -0.0072597000000000, 0.0018097900000000, 0.0002859200000000 ] - [ -0.0001234700000000, 0.0003330400000000, -0.0000486000000000 ] - [ -0.0039808400000000, 0.0007528800000000, 0.0003819200000000 ] - [ 0.0001751200000000, 0.0000405600000000, 0.0002462900000000 ] - [ -0.0003614900000000, -0.0005079500000000, -0.0002560800000000 ] - [ -0.0003485700000000, -0.0005231800000000, -0.0003857900000000 ] - [ 0.0013448300000000, 0.0007419100000000, 0.0003379700000000 ] - [ 0.0005158600000000, 0.0007007800000000, 0.0000208300000000 ] - [ 0.0003966100000000, 0.0001953700000000, -0.0000238100000000 ] - [ 0.0036980900000000, -0.0011408000000000, 0.0050449000000000 ] - [ -0.0001214000000000, -0.0000278400000000, -0.0002055300000000 ] - [ 0.0002176900000000, 0.0000834400000000, -0.0000511300000000 ] - [ -0.0078368000000000, -0.0145079000000000, 0.0021424100000000 ] - [ -0.0005237000000000, 0.0003585100000000, -0.0002348800000000 ] - [ -0.0000401400000000, -0.0045962400000000, 0.0003677000000000 ] - [ 0.0006024900000000, 0.0001774800000000, -0.0001810600000000 ] - [ -0.0001973800000000, -0.0003613400000000, 0.0002476300000000 ] - [ -0.0016416500000000, -0.0006115000000000, -0.0014283000000000 ] - [ 0.0004445700000000, -0.0004595600000000, -0.0008352600000000 ] - [ -0.0000649500000000, -0.0006726700000000, 0.0004915600000000 ] - [ -0.0007277100000000, 0.0023959700000000, -0.0001651300000000 ] - [ 0.0003186600000000, -0.0000953100000000, -0.0000348000000000 ] - [ -0.0015784300000000, -0.0023617600000000, -0.0003885100000000 ] - [ -0.0000972100000000, -0.0006563700000000, -0.0001939700000000 ] - [ 0.0003669600000000, 0.0011155800000000, 0.0002648200000000 ] - [ 0.0000622500000000, 0.0002740700000000, 0.0001626900000000 ] - [ 0.0039028900000000, -0.0106526600000000, 0.0082796100000000 ] - [ 0.0003653000000000, -0.0001224900000000, -0.0000336900000000 ] - [ 0.0040023800000000, 0.0119188400000000, 0.0016262500000000 ] - [ -0.0001800000000000, -0.0002373300000000, -0.0000550700000000 ] - [ -0.0002265300000000, 0.0006546300000000, 0.0004299400000000 ] - [ 0.0000909800000000, 0.0003679400000000, 0.0000838900000000 ] - [ -0.0010701800000000, -0.0002255200000000, 0.0003024300000000 ] - [ -0.0006461900000000, 0.0000872500000000, -0.0003487100000000 ] - [ 0.0003184700000000, 0.0001609000000000, -0.0009780200000000 ] - [ 0.0002406800000000, -0.0004176100000000, 0.0001557700000000 ] - [ 0.0001138900000000, -0.0000522800000000, 0.0003384200000000 ] - [ 0.0004614700000000, -0.0006139000000000, 0.0004700200000000 ] - [ -0.0005311000000000, -0.0018751200000000, -0.0010785500000000 ] - [ -0.0000107400000000, -0.0001227900000000, 0.0007942300000000 ] - [ -0.0005279900000000, 0.0000352700000000, -0.0002356000000000 ] - [ -0.0007770300000000, -0.0000593700000000, 0.0000484300000000 ] - [ -0.0002916000000000, 0.0001780300000000, 0.0010980400000000 ] - [ 0.0003871800000000, 0.0002100300000000, -0.0008699500000000 ] - [ -0.0023966500000000, -0.0001358900000000, -0.0010554400000000 ] - [ -0.0003646600000000, -0.0000694300000000, 0.0001029200000000 ] - [ 0.0001570900000000, 0.0001386900000000, 0.0007097500000000 ] - [ -0.0003419400000000, 0.0007027900000000, 0.0022083900000000 ] - [ 0.0022231000000000, 0.0006714600000000, -0.0000289000000000 ] - [ 0.0006309600000000, 0.0002007600000000, 0.0007196800000000 ]- atom: 49 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0000169200000000, 0.0002083900000000, 0.0001483100000000 ] - [ 0.0017312300000000, 0.0013375100000000, 0.0016988500000000 ] - [ 0.0010975700000000, 0.0024473000000000, -0.0010690000000000 ] - [ 0.0001022500000000, 0.0000870200000000, 0.0003014800000000 ] - [ -0.0017862700000000, 0.0034054900000000, -0.0008951100000000 ] - [ -0.0000341700000000, -0.0000241800000000, 0.0002367700000000 ] - [ 0.0003282600000000, -0.0026441600000000, 0.0011352500000000 ] - [ 0.0000682600000000, 0.0000603900000000, 0.0000744500000000 ] - [ 0.0001427800000000, -0.0001603100000000, 0.0000449300000000 ] - [ -0.0000245700000000, -0.0018350200000000, 0.0009618400000000 ] - [ -0.0000876400000000, -0.0003225000000000, 0.0003911300000000 ] - [ -0.0009510200000000, -0.0012606200000000, -0.0022109300000000 ] - [ -0.0001162000000000, 0.0002734400000000, 0.0001199700000000 ] - [ -0.0006304400000000, 0.0012826400000000, -0.0001529100000000 ] - [ -0.0005776000000000, -0.0009162700000000, -0.0001364600000000 ] - [ -0.0001448300000000, -0.0000796800000000, 0.0000976600000000 ] - [ 0.0003208000000000, 0.0005572200000000, -0.0000973600000000 ] - [ -0.0000735700000000, 0.0003592000000000, 0.0000591100000000 ] - [ -0.0041440900000000, -0.0022042300000000, -0.0005236000000000 ] - [ -0.0001202300000000, -0.0002737500000000, 0.0003580800000000 ] - [ -0.0007177600000000, -0.0009359300000000, -0.0008184100000000 ] - [ -0.0004630600000000, -0.0007561000000000, 0.0002733500000000 ] - [ 0.0142666800000000, -0.0018181400000000, -0.0046040200000000 ] - [ 0.0000261000000000, -0.0000290000000000, 0.0002733600000000 ] - [ 0.0014628900000000, 0.0035354000000000, 0.0078514200000000 ] - [ 0.0001577900000000, 0.0009360600000000, -0.0001810800000000 ] - [ 0.0011568300000000, -0.0013808200000000, 0.0003529700000000 ] - [ -0.0001000200000000, 0.0001848700000000, 0.0001435700000000 ] - [ 0.0048450600000000, 0.0709603500000000, -0.0483328400000000 ] - [ 0.0001906300000000, 0.0000808900000000, 0.0000831300000000 ] - [ 0.0011631500000000, -0.0009540500000000, -0.0028512800000000 ] - [ 0.0007219900000000, -0.0008292300000000, 0.0008332400000000 ] - [ 0.0011627800000000, -0.0001655200000000, -0.0002563200000000 ] - [ 0.0004095100000000, -0.0001068300000000, -0.0001066100000000 ] - [ 0.0091619300000000, -0.0122711700000000, -0.0068898100000000 ] - [ 0.0003450700000000, -0.0003563500000000, 0.0003307700000000 ] - [ -0.0018878900000000, -0.0002378500000000, 0.0004838300000000 ] - [ -0.0003371800000000, -0.0001893700000000, -0.0008282300000000 ] - [ 0.0029392200000000, 0.0032645700000000, 0.0007340300000000 ] - [ 0.0000662100000000, 0.0004086100000000, 0.0001924300000000 ] - [ 0.0019650600000000, -0.0005557000000000, 0.0009021100000000 ] - [ 0.0001881700000000, -0.0000064800000000, -0.0026210800000000 ] - [ -0.0041965400000000, -0.0069814200000000, -0.0025738600000000 ] - [ -0.0000317300000000, -0.0000966000000000, 0.0003475000000000 ] - [ -0.0002989400000000, 0.0005023800000000, -0.0005507000000000 ] - [ 0.0000532700000000, -0.0009772400000000, 0.0036843200000000 ] - [ 0.0170765500000000, 0.1658520800000000, 0.0020368500000000 ] - [ -0.0002297500000000, 0.0000831000000000, 0.0003023400000000 ] - [ -0.0449519700000000, -0.2975241500000000, 0.0617292700000000 ] - [ -0.0001367400000000, 0.0000813400000000, 0.0000357200000000 ] - [ -0.0001289600000000, -0.0003776500000000, 0.0001887500000000 ] - [ 0.0000458100000000, -0.0002770700000000, 0.0000955800000000 ] - [ -0.0003506200000000, 0.0002675400000000, -0.0000326500000000 ] - [ -0.0007967000000000, 0.0009567300000000, 0.0000597000000000 ] - [ 0.0111621400000000, -0.0000836600000000, 0.0038941600000000 ] - [ -0.0001289200000000, -0.0003620900000000, -0.0002269600000000 ] - [ -0.0042842300000000, 0.0022614400000000, 0.0005968100000000 ] - [ -0.0001961800000000, -0.0001804000000000, 0.0000536000000000 ] - [ -0.0011873400000000, -0.0011036300000000, 0.0004077900000000 ] - [ -0.0002305500000000, 0.0001841100000000, -0.0000585100000000 ] - [ -0.0078960600000000, 0.0212470800000000, -0.0052955400000000 ] - [ 0.0002946100000000, 0.0000837300000000, -0.0000441800000000 ] - [ -0.0052939300000000, -0.0015336400000000, 0.0002144000000000 ] - [ -0.0001387300000000, 0.0002260000000000, -0.0002456600000000 ] - [ 0.0001834600000000, -0.0004003100000000, -0.0002354300000000 ] - [ 0.0002584100000000, -0.0000504800000000, 0.0000617800000000 ] - [ 0.0000735800000000, 0.0006634800000000, -0.0000253300000000 ] - [ -0.0002284400000000, 0.0006592300000000, -0.0000594500000000 ] - [ -0.0015500000000000, 0.0008735800000000, -0.0021944200000000 ] - [ 0.0002854000000000, 0.0004507300000000, 0.0003739400000000 ] - [ 0.0002960000000000, -0.0001055900000000, 0.0000098900000000 ] - [ 0.0027609500000000, -0.0018783600000000, -0.0061675100000000 ] - [ 0.0001476100000000, 0.0008517800000000, -0.0002321900000000 ] - [ 0.0003446200000000, 0.0005186700000000, -0.0000971200000000 ] - [ 0.0094029600000000, 0.0070633800000000, -0.0018679100000000 ] - [ -0.0005073700000000, 0.0003727900000000, -0.0003687300000000 ] - [ 0.0017329200000000, 0.0034598700000000, -0.0001625900000000 ] - [ 0.0005678300000000, 0.0004079200000000, -0.0004365900000000 ] - [ 0.0002275400000000, -0.0001912600000000, -0.0003851700000000 ] - [ 0.0005591600000000, 0.0000418900000000, 0.0008857800000000 ] - [ 0.0003187400000000, -0.0004297300000000, 0.0002123300000000 ] - [ 0.0009029900000000, 0.0003277100000000, -0.0011588600000000 ] - [ -0.0036145200000000, 0.0069139900000000, 0.0001785900000000 ] - [ 0.0002732100000000, 0.0001239500000000, -0.0002918400000000 ] - [ 0.0025146900000000, 0.0021109400000000, -0.0000842800000000 ] - [ -0.0000080200000000, -0.0006018700000000, -0.0004055700000000 ] - [ -0.0015360300000000, 0.0034408300000000, 0.0031074500000000 ] - [ -0.0000664400000000, 0.0004756200000000, -0.0004697500000000 ] - [ 0.0097213100000000, 0.0089362100000000, -0.0119395800000000 ] - [ 0.0002284200000000, -0.0003279300000000, -0.0001633900000000 ] - [ -0.0089445800000000, 0.0284733900000000, 0.0071182300000000 ] - [ -0.0001810600000000, -0.0002779300000000, -0.0002581000000000 ] - [ -0.0009410000000000, 0.0006889900000000, 0.0007404000000000 ] - [ -0.0002185800000000, 0.0004705800000000, -0.0000853900000000 ] - [ 0.0000198100000000, -0.0005502500000000, 0.0001430100000000 ] - [ -0.0003027900000000, -0.0001804000000000, 0.0001416800000000 ] - [ -0.0000189000000000, -0.0005987500000000, -0.0006215700000000 ] - [ 0.0004314000000000, -0.0009348500000000, 0.0002321000000000 ] - [ 0.0000050100000000, -0.0003032800000000, 0.0008448200000000 ] - [ -0.0005431400000000, 0.0004364300000000, -0.0012984700000000 ] - [ 0.0012596300000000, 0.0015870400000000, 0.0021091300000000 ] - [ 0.0000840500000000, 0.0001491600000000, 0.0002469500000000 ] - [ -0.0012148000000000, 0.0009301900000000, 0.0002865800000000 ] - [ -0.0009776200000000, 0.0005823200000000, 0.0001769400000000 ] - [ 0.0011251100000000, -0.0000148900000000, -0.0015166400000000 ] - [ 0.0002267600000000, -0.0001340300000000, 0.0007480700000000 ] - [ -0.0010195700000000, -0.0009334000000000, -0.0004352800000000 ] - [ -0.0002766200000000, -0.0002092300000000, -0.0001691300000000 ] - [ -0.0003608400000000, 0.0000962300000000, 0.0000263600000000 ] - [ -0.0018411200000000, 0.0001891000000000, 0.0040636600000000 ] - [ 0.0004476400000000, -0.0033637300000000, 0.0003732100000000 ] - [ -0.0000429200000000, -0.0011338200000000, -0.0010763100000000 ]- atom: 49 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0000182400000000, -0.0002073500000000, 0.0001207000000000 ] - [ -0.0017368000000000, -0.0013245200000000, -0.0014243600000000 ] - [ -0.0011487700000000, -0.0024268500000000, 0.0013681000000000 ] - [ -0.0001029500000000, -0.0000868200000000, -0.0000326200000000 ] - [ 0.0019542900000000, -0.0036907200000000, 0.0009641800000000 ] - [ 0.0002012800000000, -0.0002698500000000, -0.0001794500000000 ] - [ -0.0001460000000000, 0.0029447000000000, -0.0010860300000000 ] - [ 0.0001048500000000, 0.0002354800000000, -0.0000151800000000 ] - [ 0.0001882400000000, 0.0001529900000000, 0.0000122800000000 ] - [ 0.0003471500000000, 0.0018251100000000, -0.0008949400000000 ] - [ -0.0000862000000000, 0.0000226900000000, -0.0003332000000000 ] - [ 0.0007904400000000, 0.0009548400000000, 0.0022786300000000 ] - [ -0.0000486200000000, 0.0000195000000000, -0.0000611400000000 ] - [ 0.0004767700000000, -0.0009896300000000, 0.0002095600000000 ] - [ 0.0002401900000000, 0.0009203700000000, 0.0001946600000000 ] - [ -0.0001856000000000, 0.0000875500000000, -0.0000396700000000 ] - [ -0.0007474300000000, -0.0005802800000000, 0.0000363400000000 ] - [ -0.0003540100000000, -0.0003825700000000, -0.0001190500000000 ] - [ 0.0038871500000000, 0.0018138400000000, 0.0004714100000000 ] - [ -0.0000767400000000, -0.0001102500000000, -0.0004184700000000 ] - [ 0.0007121200000000, 0.0009422000000000, 0.0005397600000000 ] - [ 0.0004619800000000, 0.0007654900000000, -0.0005580600000000 ] - [ -0.0143352800000000, 0.0017721500000000, 0.0043539200000000 ] - [ -0.0000188700000000, 0.0000249400000000, -0.0005560200000000 ] - [ -0.0012254900000000, -0.0039061800000000, -0.0079033200000000 ] - [ 0.0000813800000000, -0.0013053800000000, 0.0001174900000000 ] - [ -0.0013660400000000, 0.0017586600000000, -0.0004033600000000 ] - [ -0.0001360200000000, 0.0001744200000000, -0.0002069800000000 ] - [ -0.0033364700000000, -0.0692628100000000, 0.0462620700000000 ] - [ 0.0002349600000000, -0.0000575700000000, -0.0001429900000000 ] - [ -0.0009658500000000, 0.0013381600000000, 0.0027678500000000 ] - [ -0.0005313000000000, 0.0012190500000000, -0.0008926700000000 ] - [ -0.0005730800000000, 0.0003783700000000, 0.0002355100000000 ] - [ 0.0001814100000000, 0.0003213400000000, 0.0001028800000000 ] - [ -0.0086716900000000, 0.0118559500000000, 0.0068485900000000 ] - [ 0.0001291300000000, -0.0000309900000000, -0.0003472300000000 ] - [ 0.0014130300000000, 0.0006263400000000, -0.0005002800000000 ] - [ -0.0001407700000000, 0.0005787500000000, 0.0008056300000000 ] - [ -0.0028393200000000, -0.0026446300000000, -0.0007499400000000 ] - [ 0.0000340000000000, 0.0002065600000000, -0.0002101800000000 ] - [ -0.0019581900000000, 0.0005508800000000, -0.0009440700000000 ] - [ -0.0001805500000000, 0.0000012700000000, 0.0026013500000000 ] - [ 0.0042071500000000, 0.0069953800000000, 0.0025528000000000 ] - [ 0.0000280700000000, 0.0000987600000000, -0.0003868700000000 ] - [ 0.0002001700000000, -0.0011006800000000, 0.0005405400000000 ] - [ -0.0001672000000000, 0.0003839300000000, -0.0037434100000000 ] - [ -0.0208021100000000, -0.1730549200000000, -0.0021789400000000 ] - [ -0.0003521400000000, -0.0002942500000000, -0.0003214800000000 ] - [ 0.0468638000000000, 0.3035219400000000, -0.0591354000000000 ] - [ -0.0001013100000000, 0.0002827600000000, 0.0003327300000000 ] - [ 0.0003658500000000, 0.0000125200000000, 0.0001798500000000 ] - [ 0.0001908700000000, -0.0000901100000000, 0.0002693500000000 ] - [ -0.0001093500000000, 0.0000684500000000, -0.0000627900000000 ] - [ 0.0003312500000000, -0.0006277700000000, -0.0001711700000000 ] - [ -0.0112177800000000, -0.0003660300000000, -0.0037826900000000 ] - [ 0.0000140600000000, -0.0002433200000000, 0.0003016700000000 ] - [ 0.0040725300000000, -0.0026624700000000, -0.0002258800000000 ] - [ -0.0000031500000000, -0.0002117000000000, 0.0003165200000000 ] - [ 0.0007194900000000, 0.0015046400000000, -0.0003375500000000 ] - [ -0.0002341300000000, 0.0002214700000000, 0.0001324700000000 ] - [ 0.0084219000000000, -0.0208186800000000, 0.0052228000000000 ] - [ 0.0002957100000000, 0.0001096400000000, 0.0001113600000000 ] - [ 0.0051340400000000, 0.0021829900000000, -0.0004167300000000 ] - [ -0.0000345600000000, 0.0004022300000000, 0.0000470200000000 ] - [ 0.0002682400000000, 0.0004159800000000, 0.0006010600000000 ] - [ 0.0001813000000000, 0.0000718400000000, 0.0003077900000000 ] - [ -0.0007009200000000, -0.0004994500000000, -0.0001749800000000 ] - [ -0.0003996500000000, -0.0004955200000000, -0.0001407100000000 ] - [ 0.0016890700000000, 0.0004247500000000, 0.0016600700000000 ] - [ -0.0001471900000000, 0.0008466400000000, -0.0009142700000000 ] - [ 0.0002219700000000, 0.0003334500000000, -0.0001124000000000 ] - [ -0.0022351400000000, 0.0020460600000000, 0.0061791000000000 ] - [ 0.0003123900000000, -0.0003883600000000, 0.0000347000000000 ] - [ 0.0001117000000000, -0.0000513500000000, -0.0001043100000000 ] - [ -0.0104314700000000, -0.0063502900000000, 0.0013088900000000 ] - [ -0.0005399900000000, 0.0004005100000000, -0.0001660100000000 ] - [ -0.0005238600000000, -0.0029309600000000, -0.0003779700000000 ] - [ 0.0006279400000000, 0.0001134300000000, -0.0000970400000000 ] - [ -0.0002844400000000, -0.0003658600000000, 0.0002891000000000 ] - [ -0.0006088800000000, -0.0005981300000000, -0.0009748100000000 ] - [ -0.0001451100000000, -0.0002024900000000, -0.0004133600000000 ] - [ -0.0007373900000000, -0.0009654100000000, 0.0009739600000000 ] - [ 0.0042609800000000, -0.0070609600000000, -0.0003761400000000 ] - [ 0.0003564000000000, -0.0002877600000000, 0.0000916600000000 ] - [ -0.0026786100000000, -0.0034054500000000, -0.0004537300000000 ] - [ -0.0001348700000000, -0.0006907700000000, -0.0001296300000000 ] - [ 0.0015904300000000, -0.0028706000000000, -0.0031820600000000 ] - [ 0.0001276500000000, 0.0000797700000000, 0.0003756900000000 ] - [ -0.0094091700000000, -0.0093026900000000, 0.0119113800000000 ] - [ 0.0002293700000000, -0.0000068500000000, 0.0000672800000000 ] - [ 0.0085945400000000, -0.0295200200000000, -0.0074719200000000 ] - [ -0.0002830800000000, -0.0001853900000000, 0.0000612200000000 ] - [ 0.0010514800000000, -0.0000839800000000, -0.0006593000000000 ] - [ 0.0003358900000000, 0.0001354700000000, 0.0001568700000000 ] - [ -0.0006086500000000, 0.0003535900000000, -0.0000716900000000 ] - [ -0.0002849300000000, -0.0000168300000000, -0.0000707900000000 ] - [ 0.0010663700000000, -0.0001742300000000, 0.0000878100000000 ] - [ 0.0006165500000000, 0.0001652900000000, -0.0007702800000000 ] - [ -0.0004404000000000, 0.0002750100000000, -0.0004693800000000 ] - [ 0.0001171200000000, -0.0004724200000000, 0.0016727200000000 ] - [ -0.0012573800000000, -0.0015856300000000, -0.0008453000000000 ] - [ -0.0000812100000000, -0.0001455800000000, 0.0010283800000000 ] - [ 0.0000194300000000, -0.0014471800000000, -0.0008146600000000 ] - [ -0.0002169700000000, -0.0011066900000000, -0.0007156200000000 ] - [ -0.0009244900000000, 0.0004085200000000, 0.0018870400000000 ] - [ -0.0000257700000000, 0.0005276000000000, -0.0003735800000000 ] - [ 0.0004964800000000, 0.0007027400000000, 0.0003375100000000 ] - [ -0.0002419500000000, -0.0000199400000000, 0.0000722300000000 ] - [ 0.0003562700000000, -0.0000995900000000, 0.0012475400000000 ] - [ 0.0018459600000000, -0.0001834300000000, -0.0028189200000000 ] - [ 0.0000226400000000, 0.0029508600000000, -0.0003283800000000 ] - [ 0.0005100900000000, 0.0007323800000000, 0.0011593200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003837000000000, -0.0001522500000000, -0.0007285900000000 ] - [ -0.0023732000000000, 0.0002643300000000, -0.0006837900000000 ] - [ 0.0019728300000000, -0.0011105100000000, 0.0020186400000000 ] - [ -0.0001828200000000, -0.0000115900000000, -0.0006488400000000 ] - [ -0.0013343400000000, -0.0011576900000000, 0.0029764200000000 ] - [ 0.0002779300000000, -0.0002294100000000, -0.0009877500000000 ] - [ -0.0006950800000000, 0.0014938800000000, 0.0013251400000000 ] - [ 0.0000898600000000, 0.0001335400000000, -0.0006509100000000 ] - [ 0.0001814200000000, -0.0000782100000000, -0.0006225900000000 ] - [ 0.0001855400000000, 0.0006918200000000, 0.0000933900000000 ] - [ -0.0001014900000000, 0.0000980000000000, -0.0008668200000000 ] - [ 0.0001082400000000, -0.0009269400000000, 0.0000413000000000 ] - [ -0.0003489100000000, 0.0001273200000000, -0.0006955700000000 ] - [ 0.0016922500000000, 0.0000418500000000, 0.0001289200000000 ] - [ 0.0000755400000000, 0.0001347000000000, 0.0011272100000000 ] - [ -0.0001720600000000, 0.0000550100000000, -0.0006799300000000 ] - [ -0.0004048400000000, -0.0005727100000000, 0.0007604200000000 ] - [ 0.0000588100000000, 0.0001812400000000, -0.0012810200000000 ] - [ -0.0031279500000000, -0.0001376800000000, 0.0020493100000000 ] - [ -0.0001166000000000, -0.0000821600000000, -0.0017116100000000 ] - [ -0.0002408000000000, -0.0002711800000000, 0.0011020500000000 ] - [ 0.0007899700000000, 0.0012235800000000, -0.0017726300000000 ] - [ 0.0009776100000000, -0.0002476100000000, 0.0016569900000000 ] - [ -0.0000181000000000, 0.0000517600000000, -0.0018520300000000 ] - [ -0.0004266000000000, 0.0021788600000000, -0.0081669200000000 ] - [ -0.0002590200000000, -0.0017318400000000, -0.0019984300000000 ] - [ -0.0002651500000000, 0.0000226600000000, 0.0013072200000000 ] - [ -0.0000346100000000, 0.0002087200000000, -0.0014665000000000 ] - [ -0.0146347700000000, -0.0616959000000000, 0.0738455100000000 ] - [ 0.0003051300000000, -0.0002920900000000, -0.0023834000000000 ] - [ 0.0003930800000000, -0.0005174500000000, 0.0011228100000000 ] - [ -0.0006403900000000, 0.0008925000000000, -0.0020029100000000 ] - [ -0.0000253900000000, 0.0002869200000000, -0.0009918000000000 ] - [ 0.0003920900000000, 0.0002346900000000, -0.0000482200000000 ] - [ -0.0018189400000000, 0.0012835600000000, 0.0073204800000000 ] - [ 0.0001542800000000, -0.0001688800000000, -0.0020882500000000 ] - [ 0.0019884500000000, 0.0006604600000000, -0.0014220700000000 ] - [ -0.0009613600000000, 0.0002286200000000, -0.0005981500000000 ] - [ 0.0003107600000000, 0.0008181800000000, 0.0032106800000000 ] - [ 0.0000130100000000, 0.0001375400000000, -0.0018071600000000 ] - [ -0.0019559900000000, 0.0006340700000000, -0.0017143800000000 ] - [ 0.0003491500000000, -0.0004049900000000, -0.0004249600000000 ] - [ 0.0015041700000000, 0.0017412800000000, 0.0047812800000000 ] - [ -0.0000871600000000, -0.0001061300000000, -0.0020977600000000 ] - [ -0.0016970900000000, -0.0048708800000000, -0.0047560700000000 ] - [ -0.0013947100000000, 0.0027347900000000, -0.0087144600000000 ] - [ 0.0007927800000000, 0.0049986200000000, 0.0403280100000000 ] - [ -0.0002218400000000, -0.0000406900000000, -0.0022125400000000 ] - [ 0.0186637600000000, 0.0789011900000000, -0.1240032700000000 ] - [ -0.0001912200000000, -0.0000214300000000, 0.0013949900000000 ] - [ 0.0002289700000000, -0.0000285300000000, 0.0004353700000000 ] - [ 0.0000403100000000, -0.0002436600000000, 0.0004396300000000 ] - [ -0.0002186800000000, 0.0001363400000000, 0.0010925600000000 ] - [ 0.0000491200000000, 0.0001237800000000, -0.0005362100000000 ] - [ 0.0098985800000000, 0.0103595500000000, -0.0036696700000000 ] - [ 0.0002312600000000, -0.0002831900000000, 0.0011617600000000 ] - [ 0.0004980600000000, -0.0000655400000000, -0.0015965300000000 ] - [ 0.0000726000000000, -0.0001603900000000, 0.0010361300000000 ] - [ -0.0001490200000000, 0.0006220600000000, -0.0012128800000000 ] - [ -0.0003360700000000, -0.0000084500000000, 0.0008986500000000 ] - [ 0.0039831300000000, -0.0078366500000000, -0.0035246900000000 ] - [ -0.0000151900000000, 0.0004738200000000, 0.0011676900000000 ] - [ -0.0008682400000000, -0.0000071800000000, -0.0023761900000000 ] - [ 0.0001184200000000, 0.0005139800000000, 0.0007472000000000 ] - [ 0.0006454900000000, -0.0006997600000000, -0.0015970100000000 ] - [ 0.0001015600000000, 0.0001652900000000, 0.0010403200000000 ] - [ -0.0007081700000000, -0.0001832000000000, -0.0000941200000000 ] - [ -0.0003124600000000, -0.0001731100000000, 0.0003187400000000 ] - [ 0.0020938100000000, -0.0005128300000000, 0.0013847100000000 ] - [ -0.0000305000000000, 0.0010435700000000, 0.0002365100000000 ] - [ 0.0006872600000000, 0.0006770700000000, 0.0031184300000000 ] - [ -0.0021973000000000, -0.0067560400000000, 0.0176341500000000 ] - [ 0.0004357700000000, -0.0002098700000000, 0.0000791000000000 ] - [ -0.0000265500000000, 0.0001347600000000, 0.0001799300000000 ] - [ -0.0040494700000000, -0.0036793400000000, -0.0047750900000000 ] - [ -0.0002179000000000, 0.0007467800000000, 0.0007906100000000 ] - [ 0.0007853400000000, 0.0005874900000000, -0.0018080000000000 ] - [ 0.0007196000000000, -0.0000154100000000, 0.0006016700000000 ] - [ -0.0004258300000000, -0.0003543400000000, 0.0013846400000000 ] - [ 0.0005355900000000, -0.0002082200000000, -0.0000629200000000 ] - [ 0.0011936100000000, 0.0010478300000000, 0.0004369800000000 ] - [ -0.0018356400000000, -0.0022176400000000, 0.0026716100000000 ] - [ 0.0005942000000000, -0.0009638100000000, -0.0016531500000000 ] - [ 0.0003895100000000, -0.0003801700000000, 0.0007779800000000 ] - [ -0.0004530200000000, -0.0009504000000000, -0.0015282000000000 ] - [ -0.0003136200000000, -0.0006093500000000, 0.0005551500000000 ] - [ -0.0004593600000000, 0.0014469100000000, -0.0033011200000000 ] - [ 0.0002344500000000, 0.0001120500000000, 0.0018151200000000 ] - [ -0.0077054400000000, -0.0211823100000000, 0.0066882900000000 ] - [ 0.0002170700000000, -0.0000255500000000, 0.0017532300000000 ] - [ -0.0006052000000000, 0.0035771200000000, -0.0086769000000000 ] - [ -0.0004955200000000, -0.0001762700000000, 0.0007997900000000 ] - [ -0.0000725000000000, 0.0004949700000000, -0.0000280900000000 ] - [ 0.0003084900000000, 0.0002113300000000, 0.0005493300000000 ] - [ -0.0011096400000000, -0.0000752400000000, 0.0000053700000000 ] - [ -0.0000268400000000, -0.0003186800000000, 0.0006493600000000 ] - [ 0.0014920800000000, -0.0004658900000000, 0.0001170400000000 ] - [ 0.0000557200000000, -0.0002725300000000, 0.0002581100000000 ] - [ -0.0007923600000000, 0.0015457300000000, 0.0007606000000000 ] - [ 0.0014617000000000, -0.0020273800000000, 0.0022579400000000 ] - [ -0.0002950600000000, -0.0004382700000000, -0.0026744800000000 ] - [ -0.0001287700000000, -0.0002058900000000, 0.0026669700000000 ] - [ -0.0002071000000000, -0.0005584100000000, -0.0004083100000000 ] - [ -0.0005496000000000, -0.0003802400000000, 0.0002092600000000 ] - [ -0.0016539400000000, -0.0004993800000000, 0.0022587000000000 ] - [ 0.0006164700000000, 0.0006635700000000, 0.0007665400000000 ] - [ -0.0001795700000000, -0.0003396300000000, -0.0021725500000000 ] - [ -0.0003358600000000, -0.0000172900000000, 0.0014080200000000 ] - [ 0.0003431300000000, -0.0001213000000000, 0.0024048800000000 ] - [ -0.0003281600000000, 0.0004849000000000, 0.0001671800000000 ] - [ 0.0002186400000000, 0.0018898300000000, 0.0085885200000000 ] - [ 0.0009226900000000, 0.0009612000000000, 0.0028709000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003821900000000, 0.0001529500000000, 0.0010003100000000 ] - [ 0.0023930800000000, -0.0002593000000000, 0.0009519900000000 ] - [ -0.0020163200000000, 0.0011261000000000, -0.0017197400000000 ] - [ 0.0001852300000000, 0.0000117700000000, 0.0009208400000000 ] - [ 0.0016323400000000, 0.0008969800000000, -0.0028318500000000 ] - [ -0.0001122700000000, -0.0000710100000000, 0.0010504800000000 ] - [ 0.0008708800000000, -0.0012037100000000, -0.0012554700000000 ] - [ 0.0000892300000000, 0.0001699100000000, 0.0007104900000000 ] - [ 0.0001556000000000, 0.0000681200000000, 0.0006831600000000 ] - [ 0.0001533900000000, -0.0007071100000000, -0.0000411100000000 ] - [ -0.0000789500000000, -0.0004033400000000, 0.0009283000000000 ] - [ -0.0002857600000000, 0.0006218200000000, 0.0000006700000000 ] - [ 0.0001793200000000, 0.0001746800000000, 0.0007562600000000 ] - [ -0.0018765300000000, 0.0002613100000000, -0.0000731900000000 ] - [ -0.0004143400000000, -0.0001271900000000, -0.0010645500000000 ] - [ -0.0001661300000000, -0.0000461300000000, 0.0007386100000000 ] - [ -0.0000308600000000, 0.0005473000000000, -0.0008167500000000 ] - [ -0.0004930600000000, -0.0002065700000000, 0.0012183900000000 ] - [ 0.0028758300000000, -0.0002668300000000, -0.0021112000000000 ] - [ -0.0000777200000000, -0.0003064300000000, 0.0016559600000000 ] - [ 0.0002320400000000, 0.0002695700000000, -0.0013756600000000 ] - [ -0.0008043900000000, -0.0012351700000000, 0.0014923800000000 ] - [ -0.0009153200000000, 0.0002589100000000, -0.0019727100000000 ] - [ 0.0000240600000000, -0.0000550800000000, 0.0015767700000000 ] - [ 0.0006862400000000, -0.0025036700000000, 0.0081361200000000 ] - [ 0.0005047300000000, 0.0013876800000000, 0.0019384700000000 ] - [ 0.0000302000000000, 0.0003287600000000, -0.0013775600000000 ] - [ -0.0002060100000000, 0.0001516400000000, 0.0014086800000000 ] - [ 0.0159030500000000, 0.0649411200000000, -0.0755982800000000 ] - [ 0.0001247500000000, 0.0003163300000000, 0.0023230700000000 ] - [ -0.0001948400000000, 0.0009010200000000, -0.0011776500000000 ] - [ 0.0008426200000000, -0.0005123200000000, 0.0019466200000000 ] - [ 0.0006047100000000, -0.0000715000000000, 0.0009838700000000 ] - [ 0.0001869600000000, -0.0000227000000000, 0.0000207700000000 ] - [ 0.0023021000000000, -0.0016826500000000, -0.0073280200000000 ] - [ 0.0003220800000000, -0.0002150700000000, 0.0020778200000000 ] - [ -0.0024628700000000, -0.0002793300000000, 0.0014169200000000 ] - [ 0.0004912300000000, 0.0001515700000000, 0.0005640100000000 ] - [ -0.0002147800000000, -0.0001908700000000, -0.0032161000000000 ] - [ 0.0000807500000000, 0.0004749900000000, 0.0017940600000000 ] - [ 0.0019624900000000, -0.0006289500000000, 0.0016775700000000 ] - [ -0.0003463100000000, 0.0004097500000000, 0.0003658600000000 ] - [ -0.0015183500000000, -0.0017546700000000, -0.0048117300000000 ] - [ 0.0000816900000000, 0.0001056100000000, 0.0020599500000000 ] - [ 0.0015944400000000, 0.0042360700000000, 0.0047357600000000 ] - [ 0.0013136700000000, -0.0033703100000000, 0.0087591000000000 ] - [ -0.0010255300000000, -0.0040413900000000, -0.0402413600000000 ] - [ -0.0003554400000000, -0.0001705400000000, 0.0022003200000000 ] - [ -0.0200998000000000, -0.0830569300000000, 0.1258365000000000 ] - [ -0.0000377900000000, 0.0004159900000000, -0.0010243600000000 ] - [ 0.0000013000000000, -0.0003648100000000, -0.0000686200000000 ] - [ 0.0001910000000000, -0.0001474800000000, -0.0000661800000000 ] - [ -0.0002166000000000, 0.0002161600000000, -0.0011696900000000 ] - [ -0.0004892700000000, 0.0002298500000000, 0.0004744400000000 ] - [ -0.0100227200000000, -0.0109558400000000, 0.0038035300000000 ] - [ -0.0003628300000000, -0.0003259100000000, -0.0011065800000000 ] - [ -0.0007329100000000, -0.0003240000000000, 0.0019663900000000 ] - [ -0.0002961400000000, -0.0002373500000000, -0.0006709000000000 ] - [ -0.0003100500000000, -0.0002066500000000, 0.0012731600000000 ] - [ -0.0001217700000000, 0.0004299300000000, -0.0008472100000000 ] - [ -0.0034140600000000, 0.0080588200000000, 0.0036079500000000 ] - [ 0.0006125600000000, -0.0002910000000000, -0.0011200300000000 ] - [ 0.0006530300000000, 0.0006181400000000, 0.0021709900000000 ] - [ -0.0003223300000000, 0.0001075100000000, -0.0009597800000000 ] - [ -0.0001765400000000, 0.0006950700000000, 0.0019653900000000 ] - [ 0.0003619200000000, -0.0001702900000000, -0.0006670100000000 ] - [ 0.0000703100000000, 0.0003209900000000, -0.0001222700000000 ] - [ -0.0003249200000000, 0.0003172900000000, -0.0005270600000000 ] - [ -0.0019710200000000, 0.0017918700000000, -0.0019302600000000 ] - [ 0.0001584800000000, 0.0002352500000000, -0.0007694600000000 ] - [ -0.0001638800000000, -0.0004703300000000, -0.0031838800000000 ] - [ 0.0027785400000000, 0.0070642700000000, -0.0179859400000000 ] - [ 0.0000078500000000, 0.0006966300000000, -0.0002927400000000 ] - [ 0.0004726100000000, 0.0003528800000000, -0.0003859100000000 ] - [ 0.0030306700000000, 0.0044458200000000, 0.0042646600000000 ] - [ -0.0008286600000000, 0.0000148400000000, -0.0013254400000000 ] - [ 0.0003973600000000, -0.0000441900000000, 0.0012701300000000 ] - [ 0.0004590500000000, 0.0005462300000000, -0.0011385000000000 ] - [ 0.0003443700000000, -0.0001907400000000, -0.0014626600000000 ] - [ -0.0006108100000000, -0.0003355300000000, 0.0000099400000000 ] - [ -0.0009834100000000, -0.0016631400000000, -0.0006504900000000 ] - [ 0.0020583400000000, 0.0016172300000000, -0.0029071800000000 ] - [ 0.0000278200000000, 0.0008399600000000, 0.0014409900000000 ] - [ 0.0002511600000000, 0.0002480500000000, -0.0009929700000000 ] - [ 0.0003325200000000, -0.0003216200000000, 0.0009914300000000 ] - [ 0.0001900000000000, -0.0006708800000000, -0.0010943700000000 ] - [ 0.0005403100000000, -0.0008977500000000, 0.0032274900000000 ] - [ -0.0001523900000000, 0.0004338900000000, -0.0018903300000000 ] - [ 0.0080392300000000, 0.0206499300000000, -0.0067443100000000 ] - [ 0.0002194900000000, -0.0003268500000000, -0.0018297700000000 ] - [ 0.0001267500000000, -0.0039769600000000, 0.0085181600000000 ] - [ 0.0000516400000000, -0.0003101500000000, -0.0010107800000000 ] - [ 0.0002017600000000, 0.0001151300000000, 0.0000830900000000 ] - [ -0.0001825000000000, 0.0003980000000000, -0.0004934600000000 ] - [ 0.0005124400000000, -0.0001094300000000, 0.0000473800000000 ] - [ -0.0005712800000000, 0.0001344700000000, -0.0005981900000000 ] - [ -0.0004426800000000, -0.0002930700000000, -0.0006538400000000 ] - [ 0.0009932900000000, -0.0004885300000000, -0.0007903100000000 ] - [ 0.0003284900000000, -0.0015371700000000, -0.0003902600000000 ] - [ -0.0019417500000000, 0.0020518300000000, -0.0018971600000000 ] - [ 0.0003020900000000, 0.0004486800000000, 0.0039435500000000 ] - [ 0.0001338100000000, 0.0002135500000000, -0.0013928300000000 ] - [ -0.0009773700000000, 0.0000298800000000, -0.0001287700000000 ] - [ -0.0006271600000000, -0.0001456000000000, -0.0007410800000000 ] - [ 0.0018802200000000, 0.0008943100000000, -0.0018950900000000 ] - [ -0.0003952900000000, -0.0002712700000000, -0.0003865700000000 ] - [ -0.0003402800000000, 0.0001368700000000, 0.0020947400000000 ] - [ -0.0001840100000000, -0.0001853600000000, -0.0014807900000000 ] - [ -0.0003477300000000, 0.0001157000000000, -0.0011339600000000 ] - [ 0.0003198400000000, -0.0004957300000000, 0.0011336900000000 ] - [ 0.0002278200000000, -0.0023088800000000, -0.0084372300000000 ] - [ -0.0004728700000000, -0.0013936600000000, -0.0028399600000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0004590800000000, 0.0028186100000000, 0.0002547400000000 ] - [ 0.0000258300000000, 0.0000816700000000, 0.0001091700000000 ] - [ 0.0001388400000000, 0.0006346700000000, 0.0003914800000000 ] - [ 0.0001508100000000, 0.0005286800000000, -0.0001450200000000 ] - [ -0.0001834800000000, -0.0004528100000000, -0.0000300300000000 ] - [ -0.0001050700000000, -0.0004113400000000, 0.0000873700000000 ] - [ 0.0015334700000000, 0.0001655700000000, -0.0005813600000000 ] - [ 0.0011550100000000, 0.0001522600000000, 0.0003174900000000 ] - [ -0.0021160100000000, -0.0009235100000000, 0.0000626800000000 ] - [ 0.0000391600000000, -0.0000376500000000, 0.0000003000000000 ] - [ 0.0028742300000000, 0.0013994600000000, 0.0003058300000000 ] - [ -0.0000118800000000, -0.0001217500000000, -0.0000140300000000 ] - [ -0.0014174400000000, -0.0016552200000000, 0.0002323300000000 ] - [ -0.0000734900000000, 0.0000931400000000, -0.0000233600000000 ] - [ -0.0007253600000000, -0.0000787600000000, 0.0000688700000000 ] - [ -0.0006891900000000, -0.0000852600000000, -0.0000378000000000 ] - [ -0.0015050600000000, -0.0026086200000000, -0.0016431900000000 ] - [ -0.0001746600000000, -0.0001068300000000, 0.0001868000000000 ] - [ -0.0001083000000000, 0.0000254400000000, -0.0001696100000000 ] - [ -0.0003214600000000, 0.0009176000000000, -0.0002704300000000 ] - [ -0.0080429300000000, -0.0009764700000000, -0.0017558700000000 ] - [ 0.0000090600000000, 0.0000023900000000, 0.0009757600000000 ] - [ 0.0000808500000000, -0.0003083400000000, -0.0001402300000000 ] - [ 0.0003463100000000, -0.0025917500000000, -0.0014974500000000 ] - [ 0.0010160300000000, 0.0009613300000000, 0.0000118300000000 ] - [ 0.0002466300000000, -0.0000785200000000, -0.0000400300000000 ] - [ 0.0005763400000000, 0.0002171300000000, 0.0000372900000000 ] - [ 0.0291690700000000, 0.0086445300000000, -0.0322889000000000 ] - [ -0.0002614500000000, 0.0000224200000000, -0.0000777800000000 ] - [ -0.0029641000000000, 0.0009200700000000, -0.0005561200000000 ] - [ -0.0041860000000000, -0.0010543100000000, 0.0041030700000000 ] - [ 0.0000842400000000, 0.0001132000000000, -0.0011133300000000 ] - [ 0.0559365500000000, 0.0153943300000000, 0.0534822800000000 ] - [ 0.0009621400000000, 0.0000941300000000, -0.0002486400000000 ] - [ 0.0001531300000000, -0.0003596100000000, 0.0011612800000000 ] - [ -0.0032353800000000, -0.0015217500000000, -0.0038922000000000 ] - [ -0.0005446600000000, 0.0014439500000000, 0.0008733400000000 ] - [ -0.0002268500000000, 0.0003850500000000, -0.0000597000000000 ] - [ 0.0001293100000000, 0.0001016000000000, -0.0005971400000000 ] - [ -0.0013113100000000, -0.0013478900000000, 0.0009520900000000 ] - [ 0.0007478400000000, -0.0032738600000000, 0.0020273400000000 ] - [ 0.0000998000000000, -0.0003007200000000, -0.0001725200000000 ] - [ 0.0000358100000000, 0.0000126200000000, -0.0018928300000000 ] - [ -0.0074463900000000, -0.0010756500000000, 0.0016634400000000 ] - [ -0.0041141700000000, 0.0010107400000000, 0.0009495000000000 ] - [ -0.0005144800000000, -0.0002708900000000, -0.0001120800000000 ] - [ -0.0000846700000000, 0.0000588500000000, -0.0002225400000000 ] - [ 0.0005765500000000, 0.0006886400000000, -0.0000907800000000 ] - [ -0.0000515500000000, 0.0000812100000000, 0.0001858500000000 ] - [ 0.0001828100000000, -0.0002960200000000, 0.0004562800000000 ] - [ -0.0035057700000000, 0.0087454700000000, 0.0080651400000000 ] - [ -0.0000329900000000, -0.0002705000000000, 0.0001862100000000 ] - [ -0.0833349800000000, -0.0291281900000000, -0.0287422800000000 ] - [ -0.0004484600000000, 0.0001836000000000, 0.0000448300000000 ] - [ -0.0001339000000000, -0.0003969300000000, 0.0000797700000000 ] - [ -0.0002205700000000, -0.0013332200000000, 0.0000449700000000 ] - [ -0.0004255200000000, -0.0002042500000000, -0.0005216900000000 ] - [ -0.0012190100000000, -0.0000699100000000, 0.0074192100000000 ] - [ -0.0004050500000000, 0.0001005500000000, 0.0001835900000000 ] - [ -0.0026118000000000, 0.0038654100000000, -0.0031456900000000 ] - [ 0.0005436300000000, -0.0000631200000000, -0.0002447000000000 ] - [ 0.0033088900000000, -0.0007124200000000, 0.0017345300000000 ] - [ 0.0000260700000000, 0.0005253500000000, 0.0000577900000000 ] - [ 0.0004302100000000, 0.0012408600000000, 0.0001142200000000 ] - [ 0.0001653000000000, 0.0000384000000000, 0.0003099700000000 ] - [ 0.0002042000000000, 0.0005985100000000, -0.0000455600000000 ] - [ 0.0013654300000000, -0.0008764000000000, -0.0003494900000000 ] - [ -0.0001822900000000, -0.0001189800000000, -0.0003086300000000 ] - [ -0.0014431900000000, 0.0008527900000000, -0.0007714900000000 ] - [ -0.0000459500000000, 0.0006973600000000, -0.0002230700000000 ] - [ 0.0015846900000000, -0.0001224000000000, -0.0001726500000000 ] - [ 0.0004081200000000, 0.0001065500000000, 0.0000440300000000 ] - [ 0.0097099400000000, -0.0024868200000000, 0.0201452200000000 ] - [ -0.0001513800000000, 0.0003068800000000, -0.0003208900000000 ] - [ -0.0002460200000000, 0.0007049600000000, 0.0001929700000000 ] - [ 0.0019630300000000, 0.0015699200000000, -0.0002442800000000 ] - [ 0.0008077600000000, -0.0000354900000000, 0.0001673300000000 ] - [ 0.0023693800000000, -0.0005325600000000, -0.0001921800000000 ] - [ 0.0001621400000000, -0.0006944100000000, -0.0003517000000000 ] - [ -0.0000145600000000, -0.0003481800000000, 0.0000467400000000 ] - [ 0.0032185200000000, 0.0009467800000000, -0.0004208700000000 ] - [ 0.0003456800000000, -0.0001034800000000, -0.0003482700000000 ] - [ 0.0003448200000000, 0.0002383500000000, -0.0003776600000000 ] - [ 0.0010983700000000, 0.0013458300000000, 0.0009150900000000 ] - [ -0.0004927600000000, -0.0006049300000000, 0.0001516700000000 ] - [ 0.0069143600000000, -0.0024635300000000, -0.0118265900000000 ] - [ 0.0007521500000000, 0.0003937200000000, -0.0013409500000000 ] - [ 0.0008441100000000, 0.0003713200000000, 0.0014996900000000 ] - [ -0.0000147500000000, -0.0006073300000000, 0.0001206800000000 ] - [ -0.0000145600000000, -0.0004965900000000, 0.0000200800000000 ] - [ -0.0003881500000000, -0.0001969000000000, -0.0000563200000000 ] - [ -0.0014032400000000, -0.0001042000000000, 0.0001667600000000 ] - [ -0.0036255200000000, -0.0008239900000000, -0.0138633200000000 ] - [ -0.0003404100000000, 0.0002172800000000, 0.0006217500000000 ] - [ -0.0005320500000000, 0.0005679100000000, 0.0002127000000000 ] - [ -0.0003110200000000, -0.0001439400000000, 0.0000348600000000 ] - [ 0.0013137800000000, 0.0011457600000000, -0.0006848000000000 ] - [ 0.0005872400000000, -0.0002183900000000, -0.0003047600000000 ] - [ 0.0033016300000000, -0.0013829900000000, -0.0010882900000000 ] - [ 0.0000000200000000, -0.0001393800000000, 0.0004234600000000 ] - [ 0.0015538900000000, 0.0001788100000000, 0.0032711500000000 ] - [ 0.0014999500000000, 0.0002218500000000, -0.0016228100000000 ] - [ 0.0000640300000000, 0.0016030000000000, -0.0013397900000000 ] - [ -0.0006090600000000, 0.0000129400000000, 0.0000234100000000 ] - [ 0.0001141300000000, -0.0010721100000000, 0.0000173800000000 ] - [ 0.0000365000000000, 0.0001250700000000, 0.0002199400000000 ] - [ -0.0002630500000000, 0.0002685600000000, 0.0010114000000000 ] - [ -0.0001922900000000, 0.0001509400000000, -0.0005788400000000 ] - [ 0.0002017000000000, 0.0023471000000000, 0.0002225500000000 ] - [ -0.0000326600000000, 0.0001060100000000, 0.0007296200000000 ] - [ 0.0007615900000000, -0.0008040600000000, -0.0003524100000000 ] - [ 0.0003261800000000, -0.0002540000000000, 0.0001177800000000 ]- atom: 53 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0004240400000000, -0.0028546800000000, 0.0000191300000000 ] - [ -0.0000255700000000, -0.0000820800000000, 0.0001600400000000 ] - [ -0.0001348400000000, -0.0006381800000000, -0.0001231200000000 ] - [ -0.0001485800000000, -0.0005299100000000, 0.0004153100000000 ] - [ 0.0003481700000000, 0.0001581700000000, 0.0000898900000000 ] - [ 0.0002705900000000, 0.0001150400000000, -0.0000291500000000 ] - [ -0.0013692500000000, 0.0001339800000000, 0.0006392200000000 ] - [ -0.0009844200000000, 0.0001476200000000, -0.0002589300000000 ] - [ 0.0024368800000000, 0.0009079400000000, -0.0000024500000000 ] - [ 0.0002935000000000, 0.0000300500000000, 0.0000575500000000 ] - [ -0.0030804900000000, -0.0016374800000000, -0.0002416900000000 ] - [ -0.0001632400000000, -0.0001772300000000, 0.0000730000000000 ] - [ 0.0012475300000000, 0.0019649800000000, -0.0001687100000000 ] - [ -0.0000947300000000, 0.0002047000000000, 0.0000820000000000 ] - [ 0.0003944400000000, 0.0000846200000000, -0.0000085800000000 ] - [ 0.0003563900000000, 0.0000910900000000, 0.0000954300000000 ] - [ 0.0010715200000000, 0.0025522600000000, 0.0015621200000000 ] - [ -0.0002561000000000, 0.0000785400000000, -0.0002470000000000 ] - [ -0.0000854600000000, -0.0004162500000000, 0.0001072600000000 ] - [ 0.0001295600000000, -0.0013108800000000, 0.0002104100000000 ] - [ 0.0080388200000000, 0.0009818500000000, 0.0014822700000000 ] - [ -0.0000170500000000, 0.0000004600000000, -0.0012608100000000 ] - [ -0.0000784600000000, 0.0003051300000000, -0.0001422400000000 ] - [ -0.0003382500000000, 0.0025803900000000, 0.0012203700000000 ] - [ -0.0007819300000000, -0.0013183400000000, -0.0000688700000000 ] - [ -0.0000074000000000, -0.0002828400000000, -0.0000227500000000 ] - [ -0.0008164700000000, 0.0001461500000000, -0.0001025900000000 ] - [ -0.0289971100000000, -0.0082875000000000, 0.0323541200000000 ] - [ 0.0006944400000000, 0.0000011500000000, 0.0000156900000000 ] - [ 0.0033879100000000, -0.0008869100000000, 0.0004946300000000 ] - [ 0.0044200400000000, 0.0014525800000000, -0.0041249000000000 ] - [ 0.0001116600000000, 0.0002757700000000, 0.0010510600000000 ] - [ -0.0547800500000000, -0.0152839800000000, -0.0539578300000000 ] - [ -0.0003838600000000, 0.0001219700000000, 0.0002310900000000 ] - [ 0.0003222800000000, -0.0000232700000000, -0.0011785400000000 ] - [ 0.0037360400000000, 0.0011389100000000, 0.0038507800000000 ] - [ 0.0000760600000000, -0.0010681900000000, -0.0008772700000000 ] - [ -0.0002466400000000, -0.0000032500000000, 0.0000429500000000 ] - [ -0.0000351800000000, 0.0005083300000000, 0.0005781600000000 ] - [ 0.0014019500000000, 0.0019432800000000, -0.0009545300000000 ] - [ -0.0007391200000000, 0.0032652500000000, -0.0020619000000000 ] - [ -0.0000950400000000, 0.0002999600000000, 0.0001258900000000 ] - [ -0.0000429100000000, -0.0000124800000000, 0.0018513300000000 ] - [ 0.0074512300000000, 0.0010766100000000, -0.0017133800000000 ] - [ 0.0040128000000000, -0.0016149000000000, -0.0009560100000000 ] - [ 0.0004203000000000, -0.0003410400000000, 0.0000957000000000 ] - [ -0.0004927900000000, -0.0002736200000000, 0.0002064600000000 ] - [ -0.0011582300000000, -0.0008997700000000, 0.0000744300000000 ] - [ -0.0001762600000000, 0.0003185100000000, 0.0001866300000000 ] - [ -0.0004091800000000, 0.0006909300000000, -0.0000808300000000 ] - [ 0.0038069600000000, -0.0091459600000000, -0.0076822400000000 ] - [ 0.0002611300000000, -0.0001255000000000, 0.0001857000000000 ] - [ 0.0819150600000000, 0.0294713000000000, 0.0291550300000000 ] - [ 0.0000110600000000, 0.0001666100000000, -0.0001135900000000 ] - [ 0.0000016800000000, -0.0002110300000000, -0.0000242400000000 ] - [ 0.0000895800000000, 0.0007239000000000, 0.0000114000000000 ] - [ 0.0001949800000000, -0.0001942300000000, 0.0008964400000000 ] - [ 0.0009772500000000, -0.0003291400000000, -0.0070321900000000 ] - [ -0.0000528600000000, 0.0003191300000000, -0.0001275700000000 ] - [ 0.0021808600000000, -0.0034304000000000, 0.0031777100000000 ] - [ 0.0000521800000000, 0.0002473500000000, 0.0002978700000000 ] - [ -0.0026990600000000, 0.0008902400000000, -0.0016701400000000 ] - [ -0.0002279700000000, 0.0000957100000000, -0.0002679200000000 ] - [ -0.0006315000000000, -0.0006151000000000, -0.0003274500000000 ] - [ 0.0002949600000000, -0.0000401200000000, 0.0000656200000000 ] - [ 0.0002579000000000, -0.0006001800000000, 0.0004196100000000 ] - [ -0.0020057800000000, 0.0010139100000000, 0.0001328800000000 ] - [ -0.0004565600000000, 0.0002532400000000, 0.0000963100000000 ] - [ 0.0015718500000000, 0.0004254400000000, 0.0002346600000000 ] - [ 0.0001718000000000, 0.0005849100000000, -0.0003132500000000 ] - [ -0.0010612100000000, 0.0003216000000000, 0.0000978100000000 ] - [ 0.0001128200000000, 0.0000914900000000, -0.0001108700000000 ] - [ -0.0093308700000000, 0.0030454800000000, -0.0206139700000000 ] - [ 0.0005927700000000, 0.0001802100000000, 0.0001116800000000 ] - [ -0.0007993800000000, 0.0000489100000000, -0.0007283900000000 ] - [ -0.0030101000000000, -0.0008128500000000, -0.0002878600000000 ] - [ 0.0003669100000000, 0.0005661600000000, -0.0007030400000000 ] - [ -0.0011940500000000, 0.0010660600000000, -0.0003427500000000 ] - [ -0.0002485000000000, 0.0001518100000000, 0.0002773300000000 ] - [ -0.0000709900000000, -0.0001956200000000, -0.0001142900000000 ] - [ -0.0030060000000000, -0.0015696100000000, 0.0002038400000000 ] - [ -0.0001405900000000, -0.0005167100000000, 0.0001373100000000 ] - [ 0.0002904200000000, -0.0003741300000000, 0.0001657500000000 ] - [ -0.0004591700000000, -0.0014722300000000, -0.0011223000000000 ] - [ 0.0003673400000000, -0.0006789200000000, -0.0006881000000000 ] - [ -0.0070702600000000, 0.0012163300000000, 0.0114092800000000 ] - [ -0.0006743700000000, 0.0001488200000000, 0.0012760000000000 ] - [ -0.0007630100000000, 0.0001716800000000, -0.0015648400000000 ] - [ 0.0004509700000000, 0.0002570200000000, -0.0001950700000000 ] - [ 0.0004510200000000, 0.0001457900000000, -0.0000915900000000 ] - [ -0.0000509900000000, -0.0002963600000000, -0.0001549600000000 ] - [ 0.0009628200000000, -0.0003859600000000, -0.0003794600000000 ] - [ 0.0037184600000000, 0.0014346700000000, 0.0139056900000000 ] - [ 0.0004718700000000, 0.0003910100000000, -0.0005706300000000 ] - [ -0.0000716400000000, -0.0007443500000000, -0.0001604700000000 ] - [ -0.0002895000000000, -0.0000371800000000, 0.0000101900000000 ] - [ -0.0002607900000000, -0.0018935100000000, 0.0001481700000000 ] - [ 0.0004586800000000, -0.0005366900000000, -0.0002302100000000 ] - [ -0.0037522400000000, 0.0013792400000000, 0.0014418400000000 ] - [ -0.0004644400000000, 0.0001449700000000, -0.0000479700000000 ] - [ -0.0015537700000000, -0.0001750800000000, -0.0020012800000000 ] - [ -0.0015006100000000, -0.0002182400000000, 0.0029120700000000 ] - [ -0.0012497400000000, -0.0021272800000000, 0.0007943400000000 ] - [ -0.0005652400000000, -0.0005433700000000, -0.0005583500000000 ] - [ 0.0001159800000000, 0.0014698700000000, 0.0003501200000000 ] - [ 0.0001928800000000, 0.0002733900000000, 0.0001524600000000 ] - [ -0.0002575500000000, -0.0004635000000000, -0.0010708100000000 ] - [ -0.0003281700000000, -0.0003494200000000, 0.0005033700000000 ] - [ -0.0002084100000000, -0.0023447300000000, 0.0010509900000000 ] - [ 0.0000290300000000, -0.0001105000000000, 0.0005518500000000 ] - [ -0.0003040300000000, 0.0003757100000000, 0.0003978800000000 ] - [ 0.0001306600000000, -0.0001675200000000, -0.0000663000000000 ]- atom: 53 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0022496000000000, -0.0021994300000000, 0.0002455800000000 ] - [ 0.0000491200000000, -0.0000383900000000, 0.0001097400000000 ] - [ 0.0003763000000000, -0.0003464900000000, -0.0003650800000000 ] - [ 0.0003252100000000, -0.0002125000000000, 0.0005598700000000 ] - [ -0.0000916800000000, 0.0000179400000000, -0.0000298900000000 ] - [ -0.0000910200000000, 0.0000425700000000, 0.0000163700000000 ] - [ -0.0008552500000000, 0.0003559800000000, 0.0008354600000000 ] - [ -0.0005260400000000, 0.0002672300000000, -0.0006377200000000 ] - [ 0.0004797100000000, 0.0005225800000000, 0.0000586800000000 ] - [ 0.0002424700000000, -0.0000075700000000, 0.0000090800000000 ] - [ -0.0000906900000000, -0.0020846100000000, -0.0001331600000000 ] - [ -0.0001332100000000, -0.0001584000000000, 0.0000257800000000 ] - [ -0.0014412400000000, 0.0002077800000000, 0.0002726400000000 ] - [ -0.0001509200000000, 0.0002041800000000, 0.0000119900000000 ] - [ 0.0000481800000000, -0.0001868700000000, 0.0000593800000000 ] - [ 0.0000477900000000, -0.0002157500000000, 0.0000076700000000 ] - [ -0.0010659200000000, -0.0043148400000000, -0.0031450600000000 ] - [ -0.0001890800000000, -0.0001931300000000, 0.0005841700000000 ] - [ 0.0001134800000000, -0.0005137900000000, -0.0001051700000000 ] - [ 0.0011879000000000, -0.0022484000000000, 0.0000831600000000 ] - [ 0.0062439300000000, 0.0012701800000000, 0.0009143700000000 ] - [ -0.0000564700000000, 0.0000627900000000, -0.0011713500000000 ] - [ -0.0002292400000000, -0.0000496500000000, -0.0001710300000000 ] - [ -0.0024254300000000, -0.0014707200000000, -0.0018311500000000 ] - [ 0.0009966700000000, -0.0021893100000000, 0.0005800600000000 ] - [ 0.0000323400000000, -0.0003488300000000, -0.0004135200000000 ] - [ -0.0005096400000000, 0.0004730800000000, -0.0001682700000000 ] - [ -0.0069673100000000, 0.0204474400000000, -0.0107947000000000 ] - [ 0.0004702700000000, 0.0000029600000000, -0.0000463000000000 ] - [ 0.0019879600000000, -0.0004694200000000, 0.0007366800000000 ] - [ 0.0022452200000000, 0.0023691000000000, -0.0009330100000000 ] - [ 0.0001747500000000, 0.0002357400000000, 0.0002632800000000 ] - [ -0.0137021400000000, 0.0381049100000000, 0.0167792300000000 ] - [ -0.0000424800000000, 0.0004187400000000, -0.0000205400000000 ] - [ 0.0004210200000000, -0.0000703700000000, -0.0005810200000000 ] - [ 0.0011772100000000, 0.0018471500000000, 0.0011747900000000 ] - [ 0.0015099200000000, -0.0022817600000000, -0.0000729700000000 ] - [ -0.0000328700000000, -0.0001513200000000, 0.0000225100000000 ] - [ 0.0000762400000000, -0.0000253500000000, -0.0008814100000000 ] - [ -0.0013539700000000, -0.0034490200000000, 0.0030037100000000 ] - [ -0.0033054200000000, -0.0017643300000000, 0.0021897900000000 ] - [ -0.0002328700000000, -0.0000896500000000, -0.0000715700000000 ] - [ -0.0000824500000000, 0.0000756300000000, 0.0014180000000000 ] - [ 0.0062922700000000, 0.0012691500000000, -0.0011964200000000 ] - [ 0.0020534600000000, -0.0011845000000000, -0.0007261500000000 ] - [ 0.0001796300000000, -0.0002975300000000, -0.0000689100000000 ] - [ -0.0004313600000000, -0.0003576300000000, 0.0004657700000000 ] - [ 0.0010007400000000, -0.0020988500000000, -0.0006114500000000 ] - [ -0.0001261700000000, 0.0003586400000000, 0.0001517200000000 ] - [ -0.0004447200000000, 0.0011237700000000, 0.0000071800000000 ] - [ 0.0109446800000000, 0.0096792400000000, 0.0143368700000000 ] - [ 0.0001426100000000, -0.0003385500000000, 0.0000549800000000 ] - [ 0.0156939600000000, -0.0582806200000000, -0.0081982700000000 ] - [ -0.0000970800000000, 0.0000801700000000, 0.0000205900000000 ] - [ -0.0001441400000000, -0.0002165700000000, -0.0000615000000000 ] - [ -0.0012017500000000, 0.0011863100000000, -0.0000167500000000 ] - [ -0.0000121700000000, -0.0002983500000000, 0.0006128200000000 ] - [ 0.0008312800000000, -0.0036306300000000, -0.0023042100000000 ] - [ -0.0002158300000000, 0.0000777500000000, 0.0003027900000000 ] - [ 0.0053093600000000, 0.0067441300000000, -0.0084393900000000 ] - [ 0.0001238200000000, 0.0001830900000000, 0.0001844000000000 ] - [ -0.0012744200000000, -0.0003184900000000, -0.0012343100000000 ] - [ 0.0001424400000000, 0.0004797600000000, 0.0001454800000000 ] - [ 0.0016383900000000, 0.0019771700000000, -0.0000663600000000 ] - [ 0.0000247000000000, 0.0002972300000000, 0.0004505700000000 ] - [ -0.0003403700000000, 0.0015909900000000, -0.0001543400000000 ] - [ -0.0017304600000000, 0.0013225500000000, -0.0000057600000000 ] - [ -0.0004470300000000, 0.0003340200000000, 0.0001275300000000 ] - [ 0.0011966900000000, 0.0024525700000000, -0.0017806400000000 ] - [ 0.0002438500000000, 0.0006544800000000, -0.0001275000000000 ] - [ -0.0006646500000000, 0.0003357800000000, -0.0000746500000000 ] - [ 0.0001913900000000, 0.0000802600000000, -0.0000027300000000 ] - [ -0.0118890100000000, -0.0034485200000000, -0.0184753600000000 ] - [ 0.0004991300000000, 0.0001078500000000, 0.0001520000000000 ] - [ -0.0006441300000000, 0.0000863300000000, -0.0005828800000000 ] - [ -0.0020940200000000, -0.0009955500000000, -0.0005647900000000 ] - [ 0.0004083200000000, 0.0005616600000000, -0.0005937300000000 ] - [ -0.0009081300000000, 0.0011972500000000, -0.0003013700000000 ] - [ -0.0004381300000000, 0.0010249000000000, 0.0000573700000000 ] - [ -0.0001205600000000, -0.0001471300000000, -0.0000098700000000 ] - [ -0.0014158000000000, -0.0015715000000000, 0.0002527000000000 ] - [ -0.0000077900000000, -0.0005141500000000, 0.0001235700000000 ] - [ 0.0003080800000000, -0.0001885500000000, 0.0000126400000000 ] - [ 0.0006647100000000, -0.0008934100000000, 0.0003164700000000 ] - [ 0.0002487500000000, -0.0007563700000000, -0.0005778300000000 ] - [ -0.0083364100000000, -0.0025783500000000, 0.0101998000000000 ] - [ -0.0004585600000000, 0.0000632200000000, 0.0005525100000000 ] - [ -0.0002782700000000, 0.0000851300000000, -0.0005441000000000 ] - [ 0.0000565000000000, 0.0002822900000000, -0.0005638300000000 ] - [ -0.0000391600000000, 0.0002272300000000, 0.0004418600000000 ] - [ -0.0000461000000000, -0.0002360500000000, -0.0002437100000000 ] - [ 0.0000436400000000, 0.0015196900000000, 0.0014210800000000 ] - [ 0.0018555200000000, -0.0057115500000000, 0.0072163800000000 ] - [ 0.0001950500000000, 0.0002348300000000, -0.0001540500000000 ] - [ -0.0011717500000000, 0.0017566600000000, 0.0001016600000000 ] - [ -0.0004828400000000, 0.0001478000000000, -0.0001884200000000 ] - [ 0.0024955600000000, 0.0017818400000000, -0.0005530500000000 ] - [ 0.0007027600000000, -0.0002515200000000, -0.0004196400000000 ] - [ -0.0021798400000000, 0.0001005300000000, 0.0009452900000000 ] - [ -0.0003526600000000, 0.0000584100000000, 0.0001449600000000 ] - [ -0.0013067700000000, -0.0002258400000000, -0.0015864500000000 ] - [ -0.0013698200000000, -0.0002502300000000, 0.0027524700000000 ] - [ -0.0001171200000000, -0.0011015500000000, -0.0008394300000000 ] - [ -0.0005708600000000, -0.0003015100000000, -0.0003179100000000 ] - [ -0.0012700000000000, 0.0018670200000000, 0.0000985000000000 ] - [ 0.0000250700000000, 0.0002676600000000, 0.0002620200000000 ] - [ 0.0000616500000000, 0.0002804800000000, 0.0017764300000000 ] - [ 0.0001688400000000, 0.0001864700000000, -0.0018106700000000 ] - [ 0.0019820800000000, 0.0017634900000000, 0.0002905000000000 ] - [ 0.0000811900000000, 0.0000239000000000, 0.0006825200000000 ] - [ -0.0002451400000000, 0.0006161600000000, 0.0002803000000000 ] - [ 0.0001868800000000, -0.0001204300000000, 0.0000656300000000 ]- atom: 53 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0021803300000000, 0.0020891400000000, 0.0000283500000000 ] - [ -0.0000488000000000, 0.0000380100000000, 0.0001591300000000 ] - [ -0.0003721000000000, 0.0003420500000000, 0.0006343100000000 ] - [ -0.0003234400000000, 0.0002102900000000, -0.0002911400000000 ] - [ 0.0002567700000000, -0.0003132600000000, 0.0000906000000000 ] - [ 0.0002569100000000, -0.0003383900000000, 0.0000414200000000 ] - [ 0.0010224400000000, -0.0000546900000000, -0.0007805200000000 ] - [ 0.0007000000000000, 0.0000356800000000, 0.0006970500000000 ] - [ -0.0001483700000000, -0.0005311400000000, 0.0000026000000000 ] - [ 0.0000921800000000, -0.0000002700000000, 0.0000478800000000 ] - [ -0.0002355800000000, 0.0020857100000000, 0.0002019100000000 ] - [ -0.0000423300000000, -0.0001403900000000, 0.0000325900000000 ] - [ 0.0012668000000000, 0.0000778700000000, -0.0002091300000000 ] - [ -0.0000150600000000, 0.0000877600000000, 0.0000463500000000 ] - [ -0.0003812800000000, 0.0001954900000000, 0.0000001600000000 ] - [ -0.0003827400000000, 0.0002250600000000, 0.0000494800000000 ] - [ 0.0006196900000000, 0.0042614100000000, 0.0030676000000000 ] - [ -0.0002417900000000, 0.0001653000000000, -0.0006475900000000 ] - [ -0.0003072200000000, 0.0001247600000000, 0.0000420500000000 ] - [ -0.0013732600000000, 0.0018667500000000, -0.0001476300000000 ] - [ -0.0062853500000000, -0.0012712000000000, -0.0011974300000000 ] - [ 0.0000488000000000, -0.0000597900000000, 0.0008895100000000 ] - [ 0.0002317700000000, 0.0000473700000000, -0.0001121800000000 ] - [ 0.0024202900000000, 0.0014613900000000, 0.0015475900000000 ] - [ -0.0007572700000000, 0.0018281500000000, -0.0006259700000000 ] - [ 0.0002070000000000, -0.0000128200000000, 0.0003477800000000 ] - [ 0.0002703800000000, -0.0001108700000000, 0.0001013800000000 ] - [ 0.0068896900000000, -0.0197985600000000, 0.0101679000000000 ] - [ -0.0000378700000000, 0.0000195600000000, -0.0000166900000000 ] - [ -0.0015673800000000, 0.0004916000000000, -0.0007993600000000 ] - [ -0.0020093300000000, -0.0019676800000000, 0.0008865300000000 ] - [ 0.0000210800000000, 0.0001538000000000, -0.0003253500000000 ] - [ 0.0145393500000000, -0.0374042500000000, -0.0158777400000000 ] - [ 0.0006213000000000, -0.0002038000000000, 0.0000024200000000 ] - [ 0.0000547100000000, -0.0003116400000000, 0.0005625100000000 ] - [ -0.0006809800000000, -0.0022254500000000, -0.0012051000000000 ] - [ -0.0019692100000000, 0.0026721000000000, 0.0000782800000000 ] - [ -0.0004404200000000, 0.0005350300000000, -0.0000404200000000 ] - [ 0.0000177500000000, 0.0006353800000000, 0.0008639100000000 ] - [ 0.0014377900000000, 0.0040490300000000, -0.0030102500000000 ] - [ 0.0032938100000000, 0.0017606500000000, -0.0022146300000000 ] - [ 0.0002373900000000, 0.0000898700000000, 0.0000240300000000 ] - [ 0.0000753900000000, -0.0000752500000000, -0.0014669400000000 ] - [ -0.0063164200000000, -0.0012715600000000, 0.0011560800000000 ] - [ -0.0021573100000000, 0.0005644600000000, 0.0007243500000000 ] - [ -0.0002743500000000, -0.0003152900000000, 0.0000515500000000 ] - [ -0.0001458100000000, 0.0001429100000000, -0.0004807100000000 ] - [ -0.0015786300000000, 0.0018807300000000, 0.0005828000000000 ] - [ -0.0001023100000000, 0.0000396800000000, 0.0002201300000000 ] - [ 0.0002187700000000, -0.0007234700000000, 0.0003683400000000 ] - [ -0.0108267900000000, -0.0100863300000000, -0.0140208400000000 ] - [ 0.0000865900000000, -0.0000540800000000, 0.0003174400000000 ] - [ -0.0161885400000000, 0.0577411700000000, 0.0078531500000000 ] - [ -0.0003409800000000, 0.0002698300000000, -0.0000896600000000 ] - [ 0.0000128000000000, -0.0003914500000000, 0.0001181700000000 ] - [ 0.0010688700000000, -0.0017967700000000, 0.0000821700000000 ] - [ -0.0002165900000000, -0.0000993100000000, -0.0002378300000000 ] - [ -0.0010733200000000, 0.0032335200000000, 0.0026719800000000 ] - [ -0.0002422100000000, 0.0003423100000000, -0.0002457000000000 ] - [ -0.0058160200000000, -0.0063382500000000, 0.0085264500000000 ] - [ 0.0004715000000000, 0.0000023000000000, -0.0001295600000000 ] - [ 0.0018763100000000, 0.0005057100000000, 0.0012916100000000 ] - [ -0.0003424600000000, 0.0001416900000000, -0.0003557600000000 ] - [ -0.0018415800000000, -0.0013542000000000, -0.0001452100000000 ] - [ 0.0004350100000000, -0.0002980500000000, -0.0000758900000000 ] - [ 0.0008006700000000, -0.0015924900000000, 0.0005293900000000 ] - [ 0.0010953200000000, -0.0011929900000000, -0.0002139000000000 ] - [ -0.0001905200000000, -0.0001988200000000, -0.0003401400000000 ] - [ -0.0010641800000000, -0.0011646900000000, 0.0012284400000000 ] - [ -0.0001169400000000, 0.0006280100000000, -0.0004072800000000 ] - [ 0.0011921000000000, -0.0001284000000000, -0.0000036300000000 ] - [ 0.0003297300000000, 0.0001193800000000, -0.0000645200000000 ] - [ 0.0122953700000000, 0.0038891500000000, 0.0181635900000000 ] - [ -0.0000569700000000, 0.0003782900000000, -0.0003615900000000 ] - [ -0.0004003500000000, 0.0006701000000000, 0.0000500800000000 ] - [ 0.0010511500000000, 0.0017582900000000, 0.0000304700000000 ] - [ 0.0007680800000000, -0.0000329600000000, 0.0000606800000000 ] - [ 0.0020890300000000, -0.0006716700000000, -0.0002313200000000 ] - [ 0.0003503200000000, -0.0015744800000000, -0.0001354900000000 ] - [ 0.0000359800000000, -0.0003974800000000, -0.0000580700000000 ] - [ 0.0016303400000000, 0.0009554900000000, -0.0004684600000000 ] - [ 0.0002117600000000, -0.0001052000000000, -0.0003350400000000 ] - [ 0.0003267900000000, 0.0000501900000000, -0.0002238600000000 ] - [ -0.0000238200000000, 0.0007578300000000, -0.0005259200000000 ] - [ -0.0003757000000000, -0.0005277500000000, 0.0000442500000000 ] - [ 0.0081996500000000, 0.0012724600000000, -0.0106881900000000 ] - [ 0.0005358900000000, 0.0004795400000000, -0.0006173500000000 ] - [ 0.0003590600000000, 0.0004580700000000, 0.0004760300000000 ] - [ 0.0003794100000000, -0.0006332900000000, 0.0004852400000000 ] - [ 0.0004754200000000, -0.0005778000000000, -0.0005092000000000 ] - [ -0.0003943000000000, -0.0002561300000000, 0.0000324400000000 ] - [ -0.0004847900000000, -0.0020008500000000, -0.0016201400000000 ] - [ -0.0017577500000000, 0.0063499500000000, -0.0071404000000000 ] - [ -0.0000646300000000, 0.0003738700000000, 0.0002069800000000 ] - [ 0.0005660500000000, -0.0019325300000000, -0.0000503100000000 ] - [ -0.0001164400000000, -0.0003303900000000, 0.0002357300000000 ] - [ -0.0014426200000000, -0.0025333700000000, 0.0000144600000000 ] - [ 0.0003431100000000, -0.0005047900000000, -0.0001135200000000 ] - [ 0.0017189100000000, -0.0000936000000000, -0.0005865500000000 ] - [ -0.0001103200000000, -0.0000538000000000, 0.0002302500000000 ] - [ 0.0013138500000000, 0.0002318000000000, 0.0028655900000000 ] - [ 0.0013741500000000, 0.0002556200000000, -0.0014726700000000 ] - [ -0.0010664700000000, 0.0005653100000000, 0.0002984900000000 ] - [ -0.0006042000000000, -0.0002290100000000, -0.0002161800000000 ] - [ 0.0014915200000000, -0.0014730700000000, 0.0002590200000000 ] - [ 0.0002019300000000, 0.0001300700000000, 0.0001106600000000 ] - [ -0.0005804000000000, -0.0004752000000000, -0.0018419200000000 ] - [ -0.0006892000000000, -0.0003857300000000, 0.0017431600000000 ] - [ -0.0019745100000000, -0.0017598000000000, 0.0009789000000000 ] - [ -0.0000846800000000, -0.0000285100000000, 0.0005985900000000 ] - [ 0.0007047100000000, -0.0010349200000000, -0.0002335700000000 ] - [ 0.0002708100000000, -0.0002990000000000, -0.0000114900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001441100000000, 0.0005453600000000, 0.0052713700000000 ] - [ 0.0000016900000000, -0.0000152000000000, -0.0012575200000000 ] - [ 0.0009014300000000, -0.0016293200000000, -0.0012228900000000 ] - [ -0.0006599400000000, 0.0012271500000000, -0.0011499400000000 ] - [ -0.0003314300000000, -0.0004571200000000, -0.0005657700000000 ] - [ 0.0004084900000000, 0.0001241100000000, -0.0007576600000000 ] - [ -0.0004106200000000, 0.0021108000000000, -0.0028666600000000 ] - [ 0.0005557600000000, -0.0011800700000000, -0.0025808000000000 ] - [ -0.0001161600000000, -0.0001694900000000, 0.0032346300000000 ] - [ 0.0001760700000000, 0.0000441800000000, -0.0014700300000000 ] - [ 0.0004893700000000, -0.0009938300000000, 0.0070868700000000 ] - [ -0.0000570500000000, -0.0001518400000000, -0.0013996500000000 ] - [ -0.0001112100000000, 0.0002549800000000, 0.0042549300000000 ] - [ -0.0001215800000000, 0.0001257700000000, -0.0014052900000000 ] - [ -0.0000701200000000, 0.0002932900000000, -0.0004973700000000 ] - [ -0.0003204600000000, -0.0003359800000000, -0.0008498200000000 ] - [ -0.0015823800000000, -0.0064364200000000, -0.0036278700000000 ] - [ -0.0002172400000000, 0.0005707700000000, -0.0030576100000000 ] - [ -0.0001978900000000, 0.0001102200000000, -0.0029406700000000 ] - [ 0.0000694600000000, -0.0011351500000000, 0.0048170700000000 ] - [ -0.0103071500000000, -0.0004714900000000, -0.0014614800000000 ] - [ 0.0000836000000000, -0.0000522500000000, -0.0036394100000000 ] - [ -0.0001634200000000, 0.0002920400000000, -0.0031792400000000 ] - [ -0.0007252100000000, -0.0027613600000000, 0.0049469800000000 ] - [ -0.0008818700000000, 0.0013009400000000, 0.0005490100000000 ] - [ 0.0000636800000000, -0.0003454600000000, -0.0022773900000000 ] - [ -0.0004724600000000, 0.0001338300000000, -0.0041253300000000 ] - [ -0.0342784200000000, -0.0311504600000000, 0.1375871500000000 ] - [ 0.0002987800000000, -0.0007059100000000, -0.0029542800000000 ] - [ -0.0003347100000000, 0.0025623300000000, 0.0045511400000000 ] - [ 0.0142139800000000, 0.0044659700000000, 0.0005612900000000 ] - [ -0.0002508900000000, -0.0001625400000000, -0.0042175200000000 ] - [ 0.0514354600000000, 0.0470935100000000, 0.2050525800000000 ] - [ 0.0006585300000000, 0.0001216000000000, -0.0044706600000000 ] - [ 0.0012200200000000, 0.0004676600000000, -0.0046227600000000 ] - [ -0.0145345200000000, -0.0033807600000000, -0.0006068200000000 ] - [ -0.0003401300000000, 0.0012812600000000, 0.0060007100000000 ] - [ -0.0001561200000000, -0.0001191700000000, -0.0034017900000000 ] - [ 0.0000145400000000, -0.0005549800000000, -0.0035846100000000 ] - [ 0.0022404600000000, 0.0063314100000000, -0.0044305500000000 ] - [ 0.0005596400000000, 0.0019328400000000, 0.0074470800000000 ] - [ 0.0001556800000000, -0.0002752900000000, -0.0035356400000000 ] - [ -0.0002152100000000, 0.0000420400000000, -0.0040771600000000 ] - [ 0.0107828800000000, 0.0011620400000000, -0.0021998600000000 ] - [ -0.0002760000000000, -0.0031817400000000, 0.0054277500000000 ] - [ -0.0000458700000000, 0.0003549500000000, -0.0033944300000000 ] - [ -0.0002924900000000, 0.0000457400000000, -0.0023794000000000 ] - [ 0.0016252500000000, -0.0017993200000000, -0.0000603200000000 ] - [ -0.0002996800000000, 0.0000911600000000, 0.0013194900000000 ] - [ -0.0002934600000000, 0.0002105400000000, -0.0003213500000000 ] - [ 0.0083993000000000, 0.0183672200000000, 0.0069504500000000 ] - [ 0.0001155400000000, -0.0000479800000000, 0.0019767600000000 ] - [ -0.0254185600000000, -0.0223940000000000, -0.4350875600000000 ] - [ -0.0001409000000000, 0.0002850500000000, 0.0036543500000000 ] - [ 0.0003566200000000, -0.0002712600000000, 0.0015099800000000 ] - [ -0.0009064500000000, 0.0003392700000000, -0.0016588500000000 ] - [ -0.0001496500000000, -0.0002325100000000, 0.0033322900000000 ] - [ 0.0111845900000000, 0.0004485900000000, 0.0181147100000000 ] - [ -0.0003053300000000, -0.0000194900000000, 0.0019462500000000 ] - [ -0.0057592000000000, -0.0148313800000000, 0.0064322000000000 ] - [ -0.0004304300000000, 0.0007869000000000, 0.0020900400000000 ] - [ 0.0044748100000000, -0.0017102700000000, -0.0024876100000000 ] - [ 0.0004757100000000, 0.0008049800000000, 0.0014241100000000 ] - [ -0.0019911100000000, -0.0014288100000000, -0.0009245100000000 ] - [ -0.0001210800000000, 0.0005276300000000, 0.0016129000000000 ] - [ 0.0011474100000000, -0.0021345400000000, 0.0001475300000000 ] - [ 0.0014646200000000, -0.0018885700000000, -0.0019249100000000 ] - [ -0.0004502000000000, 0.0007974200000000, 0.0015424000000000 ] - [ -0.0003335200000000, -0.0017794100000000, -0.0016144300000000 ] - [ 0.0003921500000000, 0.0008110100000000, 0.0011445200000000 ] - [ 0.0003562600000000, 0.0004067400000000, -0.0053068900000000 ] - [ 0.0002856300000000, -0.0000077700000000, 0.0028816100000000 ] - [ 0.0234477200000000, -0.0033734300000000, 0.0158162300000000 ] - [ 0.0005392800000000, 0.0001400600000000, 0.0017341600000000 ] - [ -0.0000862000000000, 0.0010901100000000, 0.0013900700000000 ] - [ -0.0031580100000000, -0.0016921000000000, -0.0015766000000000 ] - [ 0.0008662100000000, -0.0005266200000000, 0.0014064800000000 ] - [ -0.0016623000000000, 0.0021190400000000, -0.0017350700000000 ] - [ 0.0001284800000000, -0.0003276100000000, -0.0053066000000000 ] - [ -0.0001517100000000, -0.0002455300000000, 0.0028819800000000 ] - [ 0.0029006700000000, 0.0016515000000000, -0.0017328800000000 ] - [ -0.0003620800000000, -0.0008882700000000, 0.0015267000000000 ] - [ 0.0003095900000000, -0.0010788100000000, 0.0015643400000000 ] - [ 0.0024029600000000, 0.0027183100000000, -0.0013291200000000 ] - [ -0.0003046100000000, -0.0006481000000000, 0.0015755400000000 ] - [ -0.0179448000000000, 0.0025123300000000, 0.0111284300000000 ] - [ -0.0022653100000000, -0.0004384100000000, 0.0031956400000000 ] - [ 0.0029012700000000, 0.0007175300000000, 0.0032449600000000 ] - [ 0.0001615300000000, -0.0007578400000000, 0.0012080600000000 ] - [ 0.0000620500000000, 0.0003400600000000, 0.0012005400000000 ] - [ -0.0004553700000000, -0.0004181400000000, 0.0012079200000000 ] - [ -0.0006942900000000, 0.0024649000000000, -0.0003722500000000 ] - [ -0.0121059400000000, 0.0034191600000000, 0.0285226600000000 ] - [ -0.0006264200000000, 0.0000826200000000, 0.0029643600000000 ] - [ -0.0014295700000000, 0.0019997800000000, -0.0008984100000000 ] - [ 0.0001088200000000, -0.0006292700000000, 0.0016578700000000 ] - [ 0.0020812500000000, 0.0014109200000000, -0.0016212500000000 ] - [ 0.0001045300000000, -0.0008161500000000, 0.0012216500000000 ] - [ -0.0033600800000000, 0.0014597600000000, -0.0030684200000000 ] - [ 0.0002066300000000, -0.0004765900000000, 0.0020407400000000 ] - [ 0.0019685000000000, 0.0000401200000000, 0.0048755400000000 ] - [ -0.0021055900000000, -0.0001820600000000, 0.0047931800000000 ] - [ -0.0020333600000000, -0.0030923600000000, -0.0022306900000000 ] - [ -0.0007758000000000, 0.0005593600000000, 0.0014350500000000 ] - [ 0.0007361700000000, -0.0006224700000000, -0.0019443200000000 ] - [ -0.0001591000000000, 0.0001999500000000, 0.0016295400000000 ] - [ 0.0002482400000000, 0.0013770000000000, 0.0032515700000000 ] - [ -0.0008461000000000, -0.0012746900000000, 0.0031916200000000 ] - [ 0.0002368500000000, 0.0004999200000000, -0.0065345900000000 ] - [ -0.0000000200000000, -0.0000020700000000, 0.0039904400000000 ] - [ 0.0002587000000000, -0.0000201300000000, -0.0010203400000000 ] - [ 0.0004639900000000, 0.0000480100000000, 0.0014414200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001494300000000, -0.0005486700000000, -0.0049975700000000 ] - [ -0.0000015800000000, 0.0000161600000000, 0.0015278500000000 ] - [ -0.0009017700000000, 0.0016401100000000, 0.0014929600000000 ] - [ 0.0006596100000000, -0.0012208800000000, 0.0014213500000000 ] - [ 0.0004992900000000, 0.0001532400000000, 0.0006219700000000 ] - [ -0.0002410000000000, -0.0004275500000000, 0.0008200700000000 ] - [ 0.0006002600000000, -0.0018126900000000, 0.0029304300000000 ] - [ -0.0003679500000000, 0.0014813800000000, 0.0026360100000000 ] - [ 0.0004642500000000, 0.0001616000000000, -0.0031724200000000 ] - [ 0.0001650900000000, -0.0000547800000000, 0.0015287400000000 ] - [ -0.0006724400000000, 0.0006930100000000, -0.0070192000000000 ] - [ -0.0001247400000000, -0.0001550500000000, 0.0014591200000000 ] - [ -0.0000691800000000, 0.0000422800000000, -0.0041922100000000 ] - [ -0.0000476900000000, 0.0001789900000000, 0.0014646200000000 ] - [ -0.0002706300000000, -0.0002864200000000, 0.0005535800000000 ] - [ -0.0000204800000000, 0.0003441000000000, 0.0009107900000000 ] - [ 0.0011461700000000, 0.0063865200000000, 0.0035433800000000 ] - [ -0.0002118800000000, -0.0005985200000000, 0.0030022000000000 ] - [ 0.0000045400000000, -0.0005003900000000, 0.0028786400000000 ] - [ -0.0002668200000000, 0.0007403700000000, -0.0048682600000000 ] - [ 0.0102930200000000, 0.0004772700000000, 0.0011735900000000 ] - [ -0.0000904900000000, 0.0000548300000000, 0.0033611500000000 ] - [ 0.0001671500000000, -0.0002991400000000, 0.0028970500000000 ] - [ 0.0007315800000000, 0.0027471300000000, -0.0052010500000000 ] - [ 0.0011205400000000, -0.0016584800000000, -0.0006202500000000 ] - [ 0.0001771000000000, -0.0000151300000000, 0.0022199500000000 ] - [ 0.0002408000000000, 0.0002302500000000, 0.0040668600000000 ] - [ 0.0313250300000000, 0.0290025600000000, -0.1294553300000000 ] - [ 0.0001300000000000, 0.0007327200000000, 0.0028929100000000 ] - [ 0.0007637200000000, -0.0025335300000000, -0.0046039900000000 ] - [ -0.0140854400000000, -0.0041074300000000, -0.0006684200000000 ] - [ 0.0004420400000000, 0.0005494000000000, 0.0041491800000000 ] - [ -0.0554139100000000, -0.0510490500000000, -0.2174258200000000 ] - [ -0.0000732100000000, 0.0000944600000000, 0.0044534300000000 ] - [ -0.0007537700000000, -0.0008568100000000, 0.0046224200000000 ] - [ 0.0149350900000000, 0.0029825200000000, 0.0006158600000000 ] - [ -0.0001368100000000, -0.0009073700000000, -0.0060166400000000 ] - [ -0.0003173300000000, 0.0005023000000000, 0.0033879100000000 ] - [ 0.0000826700000000, 0.0011671300000000, 0.0035624700000000 ] - [ -0.0021519700000000, -0.0057335900000000, 0.0044318300000000 ] - [ -0.0005489400000000, -0.0019333100000000, -0.0075142900000000 ] - [ -0.0001504000000000, 0.0002719000000000, 0.0034920900000000 ] - [ 0.0002100900000000, -0.0000420100000000, 0.0040289700000000 ] - [ -0.0107936800000000, -0.0011597600000000, 0.0021655500000000 ] - [ 0.0001827700000000, 0.0025676000000000, -0.0054456100000000 ] - [ -0.0000517100000000, -0.0009650700000000, 0.0033813200000000 ] - [ -0.0002836200000000, -0.0002587300000000, 0.0023580600000000 ] - [ -0.0021976300000000, 0.0015850200000000, 0.0000573500000000 ] - [ 0.0000717200000000, 0.0003028600000000, -0.0009452400000000 ] - [ 0.0000647100000000, 0.0001852100000000, 0.0006911300000000 ] - [ -0.0082101400000000, -0.0187907000000000, -0.0064845600000000 ] - [ 0.0001122100000000, -0.0003468000000000, -0.0016059700000000 ] - [ 0.0325188500000000, 0.0296102700000000, 0.4395101000000000 ] - [ -0.0003003900000000, 0.0000633200000000, -0.0037285700000000 ] - [ -0.0004869300000000, -0.0003374000000000, -0.0014509200000000 ] - [ 0.0007739700000000, -0.0009467700000000, 0.0017066300000000 ] - [ -0.0000773900000000, -0.0001644100000000, -0.0029722200000000 ] - [ -0.0113042600000000, -0.0008633100000000, -0.0174985700000000 ] - [ -0.0001555300000000, 0.0004349400000000, -0.0018877600000000 ] - [ 0.0052827400000000, 0.0152237100000000, -0.0064271400000000 ] - [ 0.0010294900000000, -0.0006037400000000, -0.0020379500000000 ] - [ -0.0038680300000000, 0.0018869900000000, 0.0025163200000000 ] - [ -0.0006758800000000, -0.0001822200000000, -0.0016311200000000 ] - [ 0.0017865000000000, 0.0020519800000000, 0.0007089400000000 ] - [ 0.0005786100000000, -0.0005277000000000, -0.0012362700000000 ] - [ -0.0006850500000000, 0.0021346500000000, 0.0002228000000000 ] - [ -0.0021076600000000, 0.0020320200000000, 0.0017162600000000 ] - [ -0.0001873700000000, -0.0006615800000000, -0.0017548100000000 ] - [ 0.0004629600000000, 0.0030647300000000, 0.0010897300000000 ] - [ -0.0002655600000000, 0.0004729500000000, -0.0016827400000000 ] - [ 0.0001618500000000, -0.0002061700000000, 0.0052312000000000 ] - [ 0.0002357000000000, 0.0002073900000000, -0.0029529800000000 ] - [ -0.0232534000000000, 0.0038907500000000, -0.0161287300000000 ] - [ -0.0000996100000000, 0.0003465000000000, -0.0019434400000000 ] - [ -0.0009573300000000, -0.0003342200000000, -0.0019242300000000 ] - [ 0.0021089900000000, 0.0024478100000000, 0.0010364600000000 ] - [ 0.0003115800000000, 0.0010553800000000, -0.0019409300000000 ] - [ 0.0028363100000000, -0.0015855800000000, 0.0011946000000000 ] - [ -0.0002102100000000, -0.0002123400000000, 0.0052313900000000 ] - [ 0.0000688900000000, -0.0002992700000000, -0.0029536900000000 ] - [ -0.0026970800000000, -0.0022787300000000, 0.0015253800000000 ] - [ 0.0005660900000000, 0.0002677300000000, -0.0017380300000000 ] - [ 0.0003262800000000, 0.0009457700000000, -0.0017769500000000 ] - [ -0.0017529400000000, -0.0028377400000000, 0.0011045700000000 ] - [ 0.0001724700000000, -0.0006356500000000, -0.0021113400000000 ] - [ 0.0176974400000000, -0.0037703600000000, -0.0116252200000000 ] - [ 0.0023664500000000, 0.0009889500000000, -0.0032743900000000 ] - [ -0.0027992300000000, -0.0001714900000000, -0.0033114000000000 ] - [ 0.0002764900000000, 0.0004083600000000, -0.0012770400000000 ] - [ 0.0003756800000000, -0.0006887300000000, -0.0012829500000000 ] - [ 0.0000124000000000, -0.0000717300000000, -0.0014163200000000 ] - [ 0.0002468100000000, -0.0029431800000000, 0.0001555800000000 ] - [ 0.0124236600000000, -0.0029082000000000, -0.0290076300000000 ] - [ 0.0007544700000000, 0.0005248000000000, -0.0029037400000000 ] - [ 0.0008297800000000, -0.0021789900000000, 0.0009602100000000 ] - [ -0.0007089600000000, 0.0004463100000000, -0.0016123400000000 ] - [ -0.0010339300000000, -0.0021663900000000, 0.0010900400000000 ] - [ 0.0009412100000000, 0.0000599200000000, -0.0017588600000000 ] - [ 0.0029006800000000, -0.0014594100000000, 0.0034598200000000 ] - [ -0.0006669800000000, 0.0004785000000000, -0.0016647400000000 ] - [ -0.0019654200000000, -0.0000358000000000, -0.0035996700000000 ] - [ 0.0021076800000000, 0.0001860700000000, -0.0035170600000000 ] - [ 0.0008516300000000, 0.0025779000000000, 0.0017121900000000 ] - [ -0.0003999600000000, -0.0010860700000000, -0.0019704700000000 ] - [ -0.0005084500000000, 0.0010221900000000, 0.0023225500000000 ] - [ 0.0003855100000000, 0.0001978100000000, -0.0012586800000000 ] - [ -0.0007705000000000, -0.0015772900000000, -0.0033060100000000 ] - [ 0.0003254100000000, 0.0010723600000000, -0.0032772500000000 ] - [ -0.0002529500000000, -0.0005223000000000, 0.0078080600000000 ] - [ -0.0000039000000000, -0.0000014000000000, -0.0027133500000000 ] - [ 0.0002002900000000, -0.0004013200000000, 0.0010779900000000 ] - [ -0.0000056200000000, -0.0004696400000000, -0.0013892800000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0002046600000000, -0.0000186700000000, -0.0001171300000000 ] - [ 0.0024857000000000, 0.0022079500000000, -0.0002027700000000 ] - [ 0.0024981900000000, 0.0010865000000000, 0.0013426900000000 ] - [ 0.0001912300000000, 0.0002113500000000, -0.0002121500000000 ] - [ -0.0021328700000000, -0.0011481000000000, -0.0009830800000000 ] - [ -0.0000081900000000, -0.0001938600000000, -0.0000641700000000 ] - [ 0.0006205000000000, 0.0024666800000000, -0.0013087900000000 ] - [ 0.0001971600000000, 0.0002118800000000, -0.0001094500000000 ] - [ 0.0000805900000000, -0.0000474500000000, -0.0001969000000000 ] - [ -0.0018459800000000, -0.0015047900000000, -0.0000239000000000 ] - [ -0.0000241200000000, -0.0000048700000000, -0.0003970800000000 ] - [ 0.0029020500000000, 0.0021334300000000, 0.0035175100000000 ] - [ -0.0002210800000000, 0.0001100200000000, -0.0001840600000000 ] - [ -0.0012725600000000, -0.0000425700000000, 0.0002750800000000 ] - [ -0.0013528500000000, -0.0012169800000000, 0.0018959600000000 ] - [ -0.0004333900000000, -0.0001759800000000, -0.0005279900000000 ] - [ -0.0009570400000000, -0.0001681700000000, 0.0020162700000000 ] - [ -0.0021197000000000, 0.0010896700000000, -0.0010361300000000 ] - [ 0.1320333000000000, 0.0393639100000000, 0.0019482200000000 ] - [ 0.0000534300000000, -0.0002002500000000, -0.0006552800000000 ] - [ 0.0001309800000000, -0.0000405000000000, 0.0008179100000000 ] - [ 0.0008038100000000, -0.0018218000000000, -0.0008902900000000 ] - [ -0.0153435600000000, -0.0022923300000000, 0.0057120900000000 ] - [ -0.0000732200000000, -0.0000323000000000, -0.0008225400000000 ] - [ -0.0003192300000000, -0.0008611600000000, -0.0051969200000000 ] - [ 0.0021072600000000, 0.0001892200000000, -0.0002075200000000 ] - [ 0.0008345400000000, 0.0041227300000000, 0.0008934400000000 ] - [ -0.0000189700000000, 0.0002876600000000, -0.0005198300000000 ] - [ -0.0023533900000000, -0.0098788300000000, 0.0064293700000000 ] - [ 0.0001837100000000, -0.0001388700000000, -0.0007432400000000 ] - [ 0.0000993700000000, 0.0002241400000000, -0.0002715300000000 ] - [ 0.0000525200000000, 0.0001166100000000, -0.0001812900000000 ] - [ 0.0004850700000000, 0.0007518600000000, -0.0004649900000000 ] - [ 0.0007896100000000, 0.0012720100000000, 0.0006774100000000 ] - [ -0.0005720400000000, 0.0003737600000000, -0.0002683100000000 ] - [ 0.0002558700000000, -0.0001854200000000, -0.0005586500000000 ] - [ 0.0017310600000000, 0.0000032300000000, 0.0002886400000000 ] - [ 0.0052414600000000, -0.0009610500000000, -0.0120030600000000 ] - [ -0.0117654000000000, 0.0094341000000000, -0.0003706700000000 ] - [ -0.0001799800000000, 0.0003093900000000, -0.0008139900000000 ] - [ -0.0017329200000000, -0.0003041700000000, -0.0010981100000000 ] - [ -0.0014487500000000, 0.0000376700000000, 0.0028142100000000 ] - [ 0.0073868200000000, -0.0092956300000000, 0.0030261800000000 ] - [ -0.0000009900000000, -0.0000911200000000, -0.0008207600000000 ] - [ -0.0007465800000000, -0.0016994900000000, -0.0015869600000000 ] - [ 0.0004288700000000, -0.0017809000000000, 0.0030249100000000 ] - [ 0.1560333300000000, 0.0184078800000000, 0.1025594900000000 ] - [ -0.0001252600000000, -0.0000048900000000, -0.0007126900000000 ] - [ 0.0114825800000000, 0.0199074400000000, 0.0102253400000000 ] - [ -0.0001812000000000, 0.0000875100000000, 0.0004831600000000 ] - [ 0.0000907900000000, -0.0005409700000000, -0.0000584700000000 ] - [ 0.0004069300000000, -0.0011873200000000, 0.0003227600000000 ] - [ -0.0002848400000000, 0.0000467900000000, 0.0003850900000000 ] - [ -0.0003747100000000, -0.0012250200000000, -0.0008760600000000 ] - [ -0.3660037900000000, -0.0788645600000000, -0.1415984000000000 ] - [ -0.0000949700000000, -0.0003140300000000, 0.0004206900000000 ] - [ -0.0003452800000000, -0.0019352000000000, -0.0002120500000000 ] - [ -0.0001053100000000, -0.0002327400000000, 0.0004266200000000 ] - [ 0.0014791700000000, -0.0030619200000000, 0.0004308600000000 ] - [ -0.0002653300000000, 0.0000599400000000, 0.0003450500000000 ] - [ -0.0002471400000000, 0.0020670100000000, -0.0009986000000000 ] - [ 0.0002051000000000, 0.0002077400000000, 0.0003624400000000 ] - [ 0.0082462900000000, 0.0022211300000000, 0.0006478000000000 ] - [ 0.0001131400000000, 0.0004492900000000, 0.0002338900000000 ] - [ 0.0224174000000000, -0.0070224200000000, -0.0084764800000000 ] - [ 0.0002304000000000, 0.0000063800000000, 0.0006741300000000 ] - [ -0.0006428700000000, 0.0001274700000000, -0.0003888400000000 ] - [ -0.0012364100000000, 0.0026011200000000, 0.0024955300000000 ] - [ 0.0013777400000000, 0.0003803200000000, 0.0013353000000000 ] - [ -0.0002330000000000, 0.0006469500000000, -0.0011366000000000 ] - [ 0.0004244700000000, 0.0003024400000000, 0.0009282000000000 ] - [ 0.0006871400000000, 0.0023856500000000, -0.0036755700000000 ] - [ 0.0000301100000000, -0.0001914200000000, -0.0000209400000000 ] - [ -0.0003380800000000, 0.0002694100000000, -0.0002434200000000 ] - [ 0.0012505700000000, 0.0053495300000000, -0.0008458600000000 ] - [ -0.0003648400000000, 0.0005670700000000, 0.0000969300000000 ] - [ 0.0039703800000000, 0.0156455300000000, -0.0040113000000000 ] - [ 0.0005996900000000, 0.0002454300000000, 0.0000409600000000 ] - [ -0.0003304500000000, -0.0002291700000000, 0.0001971200000000 ] - [ 0.0102922600000000, 0.0034463600000000, 0.0156527500000000 ] - [ 0.0006648400000000, 0.0002661700000000, -0.0000497300000000 ] - [ 0.0006620700000000, 0.0006537000000000, -0.0007926800000000 ] - [ 0.0048953100000000, -0.0012223200000000, -0.0004921000000000 ] - [ 0.0003855100000000, -0.0001349400000000, 0.0001805200000000 ] - [ -0.0031521200000000, -0.0018932100000000, -0.0004564900000000 ] - [ -0.0002032100000000, -0.0006521500000000, 0.0000391200000000 ] - [ 0.0002764900000000, 0.0006858000000000, 0.0001500400000000 ] - [ 0.0001106400000000, 0.0002962400000000, 0.0003051200000000 ] - [ -0.0035254900000000, -0.0002059800000000, 0.0121317500000000 ] - [ -0.0001885500000000, -0.0002590300000000, 0.0006530900000000 ] - [ 0.0358823400000000, -0.0088615500000000, 0.0090916700000000 ] - [ -0.0003644800000000, -0.0002137800000000, 0.0002178800000000 ] - [ -0.0001290400000000, -0.0000766200000000, 0.0002878500000000 ] - [ -0.0001282500000000, 0.0000266900000000, 0.0000569400000000 ] - [ -0.0009597800000000, 0.0001193700000000, -0.0012722000000000 ] - [ 0.0001428400000000, -0.0013424900000000, 0.0029640200000000 ] - [ 0.0015314400000000, 0.0000897100000000, -0.0003535000000000 ] - [ 0.0015985900000000, 0.0000461200000000, -0.0007791000000000 ] - [ -0.0003059700000000, 0.0004206200000000, 0.0005194300000000 ] - [ -0.0007882500000000, 0.0006376000000000, -0.0002322800000000 ] - [ -0.0011061700000000, 0.0012242200000000, -0.0014465500000000 ] - [ -0.0001402600000000, 0.0003545200000000, 0.0014618000000000 ] - [ -0.0000885700000000, -0.0002555000000000, -0.0001069700000000 ] - [ 0.0002966200000000, -0.0004730500000000, -0.0006464900000000 ] - [ -0.0013716300000000, -0.0000204000000000, 0.0015470800000000 ] - [ -0.0042564600000000, -0.0002901000000000, 0.0020161500000000 ] - [ 0.0017688400000000, -0.0020524000000000, -0.0023970000000000 ] - [ 0.0000386500000000, -0.0002244800000000, 0.0006330700000000 ] - [ 0.0003115000000000, 0.0000541400000000, 0.0014870600000000 ] - [ 0.0030013500000000, 0.0001058300000000, -0.0031244500000000 ] - [ 0.0004173900000000, 0.0011758600000000, 0.0020855000000000 ] - [ -0.0003151100000000, -0.0004958200000000, -0.0005297500000000 ]- atom: 55 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0002068300000000, 0.0000201200000000, 0.0003904100000000 ] - [ -0.0025063100000000, -0.0022078800000000, 0.0004662900000000 ] - [ -0.0025167100000000, -0.0010710600000000, -0.0010654100000000 ] - [ -0.0001920600000000, -0.0002116800000000, 0.0004845300000000 ] - [ 0.0023080700000000, 0.0008494200000000, 0.0010403700000000 ] - [ 0.0001764000000000, -0.0001038100000000, 0.0001257600000000 ] - [ -0.0004312300000000, -0.0021732800000000, 0.0013616600000000 ] - [ -0.0000209900000000, 0.0000887700000000, 0.0001708500000000 ] - [ 0.0002489500000000, 0.0000411500000000, 0.0002576100000000 ] - [ 0.0021776100000000, 0.0015091000000000, 0.0000822500000000 ] - [ -0.0001520800000000, -0.0002989500000000, 0.0004606300000000 ] - [ -0.0030350300000000, -0.0024763500000000, -0.0034960800000000 ] - [ 0.0000535900000000, 0.0001876900000000, 0.0002452000000000 ] - [ 0.0011081900000000, 0.0003335000000000, -0.0002130900000000 ] - [ 0.0010140100000000, 0.0012338900000000, -0.0018460300000000 ] - [ 0.0001008400000000, 0.0001846600000000, 0.0005908000000000 ] - [ 0.0005223400000000, 0.0001441900000000, -0.0020960800000000 ] - [ 0.0016914200000000, -0.0011247200000000, 0.0009832700000000 ] - [ -0.1407885100000000, -0.0432228400000000, -0.0022848500000000 ] - [ -0.0002503700000000, -0.0001882200000000, 0.0006013500000000 ] - [ -0.0001390000000000, 0.0000394100000000, -0.0010951600000000 ] - [ -0.0008157900000000, 0.0018285200000000, 0.0006131000000000 ] - [ 0.0153214900000000, 0.0022860400000000, -0.0059684100000000 ] - [ 0.0000803800000000, 0.0000288200000000, 0.0005505400000000 ] - [ 0.0005697900000000, 0.0005242800000000, 0.0052034200000000 ] - [ -0.0018573400000000, -0.0005506000000000, 0.0001434300000000 ] - [ -0.0010570500000000, -0.0037739900000000, -0.0009565300000000 ] - [ -0.0002219400000000, 0.0000718700000000, 0.0004620200000000 ] - [ 0.0027968600000000, 0.0099170200000000, -0.0064943400000000 ] - [ 0.0002457200000000, 0.0001653400000000, 0.0006875700000000 ] - [ 0.0000954700000000, 0.0001660100000000, 0.0002015900000000 ] - [ 0.0001424500000000, 0.0002779300000000, 0.0001240100000000 ] - [ 0.0000963700000000, -0.0005414600000000, 0.0004530700000000 ] - [ -0.0002098200000000, -0.0010613000000000, -0.0006925100000000 ] - [ 0.0010369600000000, -0.0007299200000000, 0.0002519600000000 ] - [ 0.0002191600000000, -0.0001967700000000, 0.0005507500000000 ] - [ -0.0022234100000000, 0.0003799700000000, -0.0002986500000000 ] - [ -0.0057724200000000, 0.0013446200000000, 0.0120466500000000 ] - [ 0.0118886700000000, -0.0088779000000000, 0.0003546000000000 ] - [ 0.0002741000000000, 0.0003037900000000, 0.0008052900000000 ] - [ 0.0017566000000000, 0.0003083900000000, 0.0010557600000000 ] - [ 0.0014631300000000, -0.0000371000000000, -0.0028414400000000 ] - [ -0.0074129900000000, 0.0092756200000000, -0.0030695500000000 ] - [ -0.0000037400000000, 0.0000919500000000, 0.0007834300000000 ] - [ 0.0006565700000000, 0.0010958500000000, 0.0015821000000000 ] - [ -0.0005221300000000, 0.0011746700000000, -0.0030425400000000 ] - [ -0.1505455300000000, -0.0173757400000000, -0.0959282200000000 ] - [ -0.0004518800000000, -0.0002089000000000, 0.0007016300000000 ] - [ -0.0117181600000000, -0.0193490300000000, -0.0096963100000000 ] - [ -0.0000460400000000, 0.0003118300000000, -0.0001114600000000 ] - [ 0.0001378500000000, 0.0001466300000000, 0.0004316600000000 ] - [ -0.0001774100000000, 0.0007964100000000, 0.0000477000000000 ] - [ -0.0001490700000000, 0.0003086300000000, -0.0004582100000000 ] - [ -0.0000647300000000, 0.0015776000000000, 0.0008055600000000 ] - [ 0.3683645500000000, 0.0806054200000000, 0.1350460900000000 ] - [ -0.0000368600000000, -0.0002946400000000, -0.0003684400000000 ] - [ 0.0001130100000000, 0.0015290100000000, 0.0005849300000000 ] - [ -0.0001213300000000, -0.0001654500000000, -0.0000606100000000 ] - [ -0.0019376500000000, 0.0035087600000000, -0.0003821400000000 ] - [ -0.0001917500000000, 0.0003632800000000, -0.0002976600000000 ] - [ 0.0008474400000000, -0.0018970500000000, 0.0010473900000000 ] - [ 0.0003944700000000, -0.0000276300000000, -0.0003183200000000 ] - [ -0.0084628200000000, -0.0015826600000000, -0.0008629700000000 ] - [ -0.0003210300000000, 0.0001706500000000, -0.0004481200000000 ] - [ -0.0221875000000000, 0.0070564800000000, 0.0089869300000000 ] - [ 0.0002350300000000, -0.0000136600000000, -0.0003029300000000 ] - [ 0.0000079700000000, 0.0000069600000000, 0.0001750200000000 ] - [ 0.0006084700000000, -0.0024799000000000, -0.0027226100000000 ] - [ -0.0012762500000000, 0.0009076800000000, -0.0018921700000000 ] - [ 0.0003504200000000, 0.0006355500000000, 0.0005948300000000 ] - [ 0.0000953400000000, -0.0001026600000000, -0.0010054200000000 ] - [ -0.0001734300000000, -0.0021891900000000, 0.0036127000000000 ] - [ 0.0004093100000000, 0.0006845000000000, -0.0001915900000000 ] - [ 0.0007781800000000, 0.0002206000000000, 0.0000341200000000 ] - [ -0.0022953800000000, -0.0045962200000000, 0.0003116600000000 ] - [ -0.0006832900000000, 0.0001917700000000, -0.0006345400000000 ] - [ -0.0027662500000000, -0.0151740300000000, 0.0034943100000000 ] - [ 0.0005781100000000, 0.0002847600000000, -0.0005794200000000 ] - [ 0.0002492000000000, -0.0003159700000000, -0.0002713200000000 ] - [ -0.0105213700000000, -0.0040436900000000, -0.0158977500000000 ] - [ -0.0004600600000000, -0.0008882400000000, -0.0001631500000000 ] - [ -0.0004578800000000, -0.0012750900000000, 0.0005814500000000 ] - [ -0.0042396100000000, 0.0010624600000000, 0.0002799100000000 ] - [ 0.0002552000000000, 0.0000045200000000, -0.0003962700000000 ] - [ 0.0030152800000000, 0.0006393000000000, -0.0000815400000000 ] - [ 0.0000795000000000, -0.0006266400000000, -0.0005797300000000 ] - [ -0.0001882000000000, -0.0001469700000000, -0.0002090300000000 ] - [ -0.0000238800000000, 0.0002458000000000, -0.0003776500000000 ] - [ 0.0038168000000000, -0.0001404700000000, -0.0123962700000000 ] - [ 0.0006233900000000, -0.0000922000000000, -0.0007269500000000 ] - [ -0.0358069300000000, 0.0081605800000000, -0.0090613100000000 ] - [ -0.0000781800000000, -0.0002742800000000, -0.0004294900000000 ] - [ 0.0002594000000000, 0.0006860200000000, -0.0002303200000000 ] - [ 0.0002601300000000, 0.0005814300000000, -0.0000060300000000 ] - [ 0.0003705100000000, -0.0003062700000000, 0.0013339300000000 ] - [ -0.0007372200000000, 0.0011671300000000, -0.0029359800000000 ] - [ -0.0004918000000000, -0.0008509500000000, -0.0001781800000000 ] - [ -0.0005543400000000, -0.0007993800000000, 0.0002380600000000 ] - [ -0.0001550100000000, -0.0004220500000000, -0.0001470200000000 ] - [ 0.0003243500000000, -0.0006353200000000, 0.0006070800000000 ] - [ 0.0011157100000000, -0.0012147500000000, 0.0027266000000000 ] - [ 0.0001444500000000, -0.0003508400000000, -0.0001858400000000 ] - [ -0.0010984100000000, -0.0002722100000000, -0.0004240900000000 ] - [ -0.0014730100000000, -0.0000624400000000, 0.0001038000000000 ] - [ 0.0016148300000000, 0.0004197800000000, -0.0011905400000000 ] - [ 0.0045134500000000, 0.0006941500000000, -0.0016151700000000 ] - [ -0.0022967000000000, 0.0018727300000000, 0.0023514400000000 ] - [ -0.0005607900000000, 0.0000263200000000, -0.0007075400000000 ] - [ -0.0003197700000000, -0.0000597000000000, -0.0002140500000000 ] - [ -0.0030056900000000, -0.0001112900000000, 0.0043863500000000 ] - [ 0.0000335300000000, -0.0016184300000000, -0.0020471800000000 ] - [ 0.0007699700000000, 0.0000724500000000, 0.0005807400000000 ]- atom: 55 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0000614200000000, 0.0000204800000000, 0.0001674000000000 ] - [ -0.0003473200000000, -0.0008246700000000, 0.0012504900000000 ] - [ -0.0000238800000000, -0.0016461300000000, -0.0026473000000000 ] - [ -0.0000279300000000, -0.0000304600000000, 0.0003653400000000 ] - [ -0.0000163600000000, -0.0001348700000000, -0.0002643200000000 ] - [ 0.0000611900000000, -0.0001074100000000, 0.0001200300000000 ] - [ 0.0004453900000000, -0.0011679300000000, 0.0016063200000000 ] - [ 0.0000793700000000, 0.0001021300000000, 0.0000088400000000 ] - [ 0.0001698900000000, -0.0000082100000000, 0.0001302900000000 ] - [ 0.0003583400000000, 0.0002040300000000, -0.0004653700000000 ] - [ -0.0000931800000000, -0.0001870000000000, 0.0002347300000000 ] - [ 0.0003010800000000, -0.0005905400000000, -0.0037636300000000 ] - [ -0.0000338600000000, 0.0001463100000000, 0.0000933500000000 ] - [ 0.0001373400000000, 0.0001558700000000, -0.0000269400000000 ] - [ -0.0002659100000000, 0.0010763700000000, -0.0001287600000000 ] - [ -0.0000959700000000, 0.0000566900000000, 0.0001860100000000 ] - [ 0.0002076900000000, 0.0000677900000000, -0.0013146800000000 ] - [ 0.0005650300000000, -0.0001167600000000, 0.0004540200000000 ] - [ -0.0327650400000000, 0.0079033100000000, -0.0005786300000000 ] - [ -0.0001605800000000, -0.0001774500000000, 0.0002144500000000 ] - [ -0.0001861700000000, -0.0002313700000000, 0.0008423800000000 ] - [ -0.0006547200000000, 0.0001003800000000, -0.0002074900000000 ] - [ 0.0090807800000000, 0.0023612400000000, -0.0036789600000000 ] - [ 0.0000454000000000, 0.0000129300000000, 0.0001095300000000 ] - [ 0.0005256800000000, 0.0007134100000000, 0.0023181200000000 ] - [ -0.0004763600000000, 0.0004935700000000, -0.0001075500000000 ] - [ 0.0023930200000000, -0.0045092200000000, -0.0010998700000000 ] - [ -0.0001341300000000, 0.0001113300000000, 0.0001688000000000 ] - [ -0.0023596700000000, -0.0030844300000000, 0.0007085700000000 ] - [ 0.0002064500000000, 0.0000488700000000, 0.0002067900000000 ] - [ 0.0001164300000000, -0.0001161900000000, -0.0000019900000000 ] - [ 0.0003580000000000, -0.0003276700000000, 0.0002937800000000 ] - [ 0.0005794100000000, -0.0004855300000000, 0.0001803000000000 ] - [ 0.0006580500000000, -0.0014109400000000, -0.0006954600000000 ] - [ 0.0012372900000000, -0.0029505000000000, -0.0004703200000000 ] - [ 0.0002693800000000, -0.0002340800000000, 0.0002506300000000 ] - [ -0.0012672300000000, 0.0007860600000000, -0.0001811600000000 ] - [ -0.0026593900000000, 0.0012501100000000, 0.0036575000000000 ] - [ 0.0068810500000000, -0.0051827700000000, 0.0003811700000000 ] - [ 0.0001224200000000, 0.0003308300000000, 0.0002883500000000 ] - [ 0.0009016300000000, 0.0003511600000000, 0.0004425600000000 ] - [ 0.0007772800000000, 0.0001744400000000, -0.0017705200000000 ] - [ -0.0030004300000000, -0.0046784000000000, 0.0017246700000000 ] - [ -0.0000232600000000, -0.0000025900000000, 0.0002372900000000 ] - [ -0.0001337200000000, -0.0002448100000000, 0.0002111500000000 ] - [ -0.0006493000000000, -0.0004315200000000, 0.0007899200000000 ] - [ -0.0604875500000000, 0.0267429900000000, -0.0351983100000000 ] - [ -0.0003204700000000, -0.0000457200000000, 0.0002128900000000 ] - [ 0.0118446100000000, 0.0007554400000000, 0.0044355700000000 ] - [ -0.0000989600000000, 0.0001866400000000, 0.0000556000000000 ] - [ 0.0000708800000000, 0.0001094900000000, 0.0003886100000000 ] - [ -0.0003349500000000, 0.0005092600000000, -0.0000502700000000 ] - [ -0.0002640300000000, 0.0002837100000000, -0.0002197400000000 ] - [ -0.0010333100000000, 0.0018538600000000, 0.0009391900000000 ] - [ 0.1142019200000000, -0.0222259100000000, 0.0499332000000000 ] - [ -0.0000597500000000, -0.0003266700000000, -0.0001185700000000 ] - [ -0.0011971300000000, 0.0015346400000000, 0.0002676800000000 ] - [ -0.0001500800000000, -0.0001744300000000, 0.0000751900000000 ] - [ -0.0021165200000000, 0.0029615300000000, -0.0000521200000000 ] - [ -0.0002204100000000, 0.0002698400000000, -0.0000860400000000 ] - [ 0.0004795200000000, 0.0021655000000000, 0.0007860300000000 ] - [ 0.0003277200000000, 0.0000644700000000, -0.0001009900000000 ] - [ -0.0045623000000000, -0.0013336000000000, -0.0008126900000000 ] - [ -0.0001819300000000, 0.0002468300000000, -0.0002315500000000 ] - [ -0.0139505500000000, 0.0002314900000000, 0.0052480900000000 ] - [ 0.0002403100000000, -0.0000285500000000, 0.0000117400000000 ] - [ -0.0000574800000000, -0.0002232200000000, -0.0003242400000000 ] - [ 0.0002011700000000, -0.0009033900000000, -0.0008077500000000 ] - [ -0.0005863700000000, 0.0006495200000000, -0.0010923400000000 ] - [ 0.0000717000000000, 0.0004033600000000, 0.0004062300000000 ] - [ 0.0002688000000000, 0.0000823100000000, -0.0002764600000000 ] - [ 0.0014075300000000, 0.0003704700000000, -0.0005578200000000 ] - [ 0.0000099000000000, 0.0005605400000000, -0.0004941100000000 ] - [ 0.0003096900000000, 0.0006978500000000, 0.0003592600000000 ] - [ 0.0010725800000000, 0.0026738000000000, -0.0000484300000000 ] - [ -0.0005511100000000, 0.0003506700000000, -0.0003833300000000 ] - [ 0.0066788800000000, 0.0021799800000000, -0.0009133500000000 ] - [ 0.0005918400000000, 0.0002754500000000, -0.0003776800000000 ] - [ 0.0001215500000000, -0.0003816200000000, -0.0001133100000000 ] - [ -0.0032105400000000, -0.0048814300000000, -0.0055568700000000 ] - [ 0.0001495600000000, -0.0001431100000000, -0.0003051200000000 ] - [ 0.0004513900000000, -0.0001623500000000, -0.0002917500000000 ] - [ -0.0019207900000000, 0.0013040000000000, -0.0000070800000000 ] - [ 0.0002904500000000, -0.0000056400000000, -0.0002272200000000 ] - [ -0.0002033900000000, 0.0048292600000000, -0.0008945600000000 ] - [ -0.0000144300000000, -0.0006210700000000, -0.0003824200000000 ] - [ -0.0000122200000000, 0.0008544000000000, -0.0000606800000000 ] - [ -0.0000126200000000, 0.0003531700000000, -0.0002718100000000 ] - [ 0.0010396600000000, -0.0067373500000000, -0.0089479200000000 ] - [ 0.0003456300000000, -0.0002460300000000, -0.0001917400000000 ] - [ -0.0273489400000000, -0.0006971400000000, -0.0064761600000000 ] - [ -0.0001819400000000, -0.0002698900000000, -0.0002061600000000 ] - [ -0.0000783700000000, 0.0007304400000000, 0.0000141500000000 ] - [ -0.0001671700000000, 0.0006783500000000, 0.0000633000000000 ] - [ 0.0000364800000000, -0.0005273700000000, 0.0008602200000000 ] - [ -0.0003755700000000, 0.0000845600000000, -0.0008647500000000 ] - [ 0.0000561700000000, -0.0007153000000000, -0.0000955300000000 ] - [ 0.0000649500000000, -0.0008131700000000, 0.0000593900000000 ] - [ -0.0001505800000000, -0.0000243600000000, 0.0001249800000000 ] - [ 0.0000085000000000, 0.0004424600000000, -0.0002046400000000 ] - [ 0.0005759200000000, 0.0006960600000000, -0.0006300000000000 ] - [ 0.0001188800000000, -0.0000337100000000, 0.0003937800000000 ] - [ -0.0008122200000000, -0.0002418700000000, -0.0003493300000000 ] - [ -0.0010163000000000, 0.0000872500000000, 0.0000504600000000 ] - [ 0.0007922000000000, 0.0001254400000000, -0.0005175700000000 ] - [ 0.0018919400000000, -0.0010785100000000, 0.0001963100000000 ] - [ -0.0014253400000000, 0.0010966200000000, 0.0012141700000000 ] - [ -0.0003767300000000, -0.0000926500000000, -0.0002984600000000 ] - [ -0.0001664100000000, -0.0000628000000000, 0.0003123900000000 ] - [ -0.0016658900000000, -0.0003785400000000, 0.0028786000000000 ] - [ 0.0001125600000000, -0.0011496600000000, -0.0001930000000000 ] - [ 0.0004376800000000, -0.0005024200000000, -0.0002950100000000 ]- atom: 55 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0000596600000000, -0.0000188500000000, 0.0001049500000000 ] - [ 0.0003076700000000, 0.0009186600000000, -0.0010493200000000 ] - [ 0.0000157500000000, 0.0016510700000000, 0.0029018600000000 ] - [ 0.0000279400000000, 0.0000313300000000, -0.0000919500000000 ] - [ 0.0001926700000000, -0.0001635500000000, 0.0003259200000000 ] - [ 0.0001050300000000, -0.0001892100000000, -0.0000588400000000 ] - [ -0.0002668800000000, 0.0014627300000000, -0.0015569800000000 ] - [ 0.0000979000000000, 0.0001989700000000, 0.0000530000000000 ] - [ 0.0001629300000000, 0.0000008100000000, -0.0000696200000000 ] - [ -0.0000286800000000, -0.0002141300000000, 0.0005208300000000 ] - [ -0.0000814700000000, -0.0001140300000000, -0.0001723400000000 ] - [ -0.0004068500000000, 0.0002054700000000, 0.0037465700000000 ] - [ -0.0001322900000000, 0.0001492200000000, -0.0000323300000000 ] - [ -0.0003005800000000, 0.0001377300000000, 0.0000859600000000 ] - [ -0.0000740600000000, -0.0010658600000000, 0.0001884500000000 ] - [ -0.0002392700000000, -0.0000478800000000, -0.0001260900000000 ] - [ -0.0006401400000000, -0.0000902900000000, 0.0012450300000000 ] - [ -0.0009956900000000, 0.0000955300000000, -0.0005094800000000 ] - [ 0.0329120500000000, -0.0084496900000000, 0.0004755900000000 ] - [ -0.0000354900000000, -0.0002106200000000, -0.0002695900000000 ] - [ 0.0001798500000000, 0.0002324000000000, -0.0011201000000000 ] - [ 0.0006520700000000, -0.0000997700000000, -0.0000702500000000 ] - [ -0.0090762600000000, -0.0023624900000000, 0.0034005000000000 ] - [ -0.0000388600000000, -0.0000163600000000, -0.0003825900000000 ] - [ -0.0002810600000000, -0.0010548600000000, -0.0023319300000000 ] - [ 0.0007217400000000, -0.0008537400000000, 0.0000488000000000 ] - [ -0.0026311300000000, 0.0048690900000000, 0.0010336300000000 ] - [ -0.0001062300000000, 0.0002490500000000, -0.0002269900000000 ] - [ 0.0027772200000000, 0.0031347300000000, -0.0008084600000000 ] - [ 0.0002227100000000, -0.0000229100000000, -0.0002625900000000 ] - [ 0.0000762800000000, 0.0005029300000000, -0.0000655400000000 ] - [ -0.0001667300000000, 0.0007134000000000, -0.0003490600000000 ] - [ 0.0000036200000000, 0.0006990500000000, -0.0001935400000000 ] - [ -0.0000722700000000, 0.0016233500000000, 0.0006911800000000 ] - [ -0.0007780500000000, 0.0025635800000000, 0.0004507800000000 ] - [ 0.0002051700000000, -0.0001486000000000, -0.0002588800000000 ] - [ 0.0007825600000000, -0.0004022400000000, 0.0001727900000000 ] - [ 0.0021890700000000, -0.0008656300000000, -0.0036897700000000 ] - [ -0.0067746800000000, 0.0058026100000000, -0.0004066700000000 ] - [ -0.0000285500000000, 0.0002834500000000, -0.0002987100000000 ] - [ -0.0008855700000000, -0.0003486600000000, -0.0004821300000000 ] - [ -0.0007745400000000, -0.0001751900000000, 0.0017294500000000 ] - [ 0.0030505400000000, 0.0046579500000000, -0.0017678200000000 ] - [ 0.0000188400000000, 0.0000036600000000, -0.0002752100000000 ] - [ 0.0000410700000000, -0.0003617600000000, -0.0002169400000000 ] - [ 0.0005473900000000, -0.0001774600000000, -0.0008057200000000 ] - [ 0.0598626100000000, -0.0262874800000000, 0.0353498600000000 ] - [ -0.0002570700000000, -0.0001674400000000, -0.0002236300000000 ] - [ -0.0120798100000000, -0.0004100200000000, -0.0040612600000000 ] - [ -0.0001285200000000, 0.0002123400000000, 0.0003158200000000 ] - [ 0.0001574400000000, -0.0005037100000000, -0.0000176600000000 ] - [ 0.0005584100000000, -0.0009056900000000, 0.0004159600000000 ] - [ -0.0001703800000000, 0.0000712800000000, 0.0001455700000000 ] - [ 0.0005937600000000, -0.0015013100000000, -0.0010149000000000 ] - [ -0.1148325800000000, 0.0211326900000000, -0.0498924800000000 ] - [ -0.0000715200000000, -0.0002814400000000, 0.0001719000000000 ] - [ 0.0009740700000000, -0.0019280100000000, 0.0001077000000000 ] - [ -0.0000741300000000, -0.0002232400000000, 0.0002897000000000 ] - [ 0.0016486000000000, -0.0025452600000000, 0.0001124600000000 ] - [ -0.0002373300000000, 0.0001523300000000, 0.0001348400000000 ] - [ 0.0001312900000000, -0.0019811300000000, -0.0007269200000000 ] - [ 0.0002708900000000, 0.0001170200000000, 0.0001463000000000 ] - [ 0.0043584400000000, 0.0019615800000000, 0.0006005100000000 ] - [ -0.0000246100000000, 0.0003743100000000, 0.0000168400000000 ] - [ 0.0143251200000000, -0.0002841100000000, -0.0048178000000000 ] - [ 0.0002241300000000, 0.0000225900000000, 0.0003602800000000 ] - [ -0.0005795800000000, 0.0003593300000000, 0.0001085300000000 ] - [ -0.0008403300000000, 0.0010408600000000, 0.0005956000000000 ] - [ 0.0006981000000000, 0.0006367100000000, 0.0005424300000000 ] - [ 0.0000526100000000, 0.0008805500000000, -0.0009465000000000 ] - [ 0.0002514900000000, 0.0001190400000000, 0.0001982900000000 ] - [ -0.0008813100000000, -0.0001742500000000, 0.0004978700000000 ] - [ 0.0004301400000000, -0.0000702800000000, 0.0002813600000000 ] - [ 0.0001268900000000, -0.0002086400000000, -0.0005748600000000 ] - [ -0.0021311200000000, -0.0019214600000000, -0.0004812300000000 ] - [ -0.0004965400000000, 0.0004092300000000, -0.0001530600000000 ] - [ -0.0055068000000000, -0.0016135500000000, 0.0003761300000000 ] - [ 0.0005853400000000, 0.0002550800000000, -0.0001596000000000 ] - [ -0.0002035100000000, -0.0001632600000000, 0.0000371800000000 ] - [ 0.0031210400000000, 0.0043087300000000, 0.0054848300000000 ] - [ 0.0000559400000000, -0.0004789900000000, 0.0000902900000000 ] - [ -0.0002469100000000, -0.0004576100000000, 0.0000792100000000 ] - [ 0.0025658800000000, -0.0014450900000000, -0.0002057100000000 ] - [ 0.0003509500000000, -0.0001255200000000, 0.0000108400000000 ] - [ 0.0000632000000000, -0.0061533500000000, 0.0003722600000000 ] - [ -0.0001098400000000, -0.0006575200000000, -0.0001570200000000 ] - [ 0.0001026600000000, -0.0003097100000000, -0.0000020900000000 ] - [ 0.0000988600000000, 0.0001910400000000, 0.0001967200000000 ] - [ -0.0006747100000000, 0.0064203000000000, 0.0087957300000000 ] - [ 0.0000899200000000, -0.0001046400000000, 0.0001147200000000 ] - [ 0.0272311200000000, 0.0002066500000000, 0.0063685500000000 ] - [ -0.0002616100000000, -0.0002168900000000, -0.0000063400000000 ] - [ 0.0002073800000000, -0.0001192400000000, 0.0000454700000000 ] - [ 0.0002992600000000, -0.0000673100000000, -0.0000154500000000 ] - [ -0.0006301100000000, 0.0003394100000000, -0.0008019300000000 ] - [ -0.0002223900000000, -0.0002708500000000, 0.0009127100000000 ] - [ 0.0009855800000000, -0.0000433700000000, -0.0004389200000000 ] - [ 0.0009808900000000, 0.0000578000000000, -0.0005957200000000 ] - [ -0.0003092400000000, 0.0000235000000000, 0.0002467700000000 ] - [ -0.0004660300000000, -0.0004358300000000, 0.0005771700000000 ] - [ -0.0005786300000000, -0.0006854000000000, 0.0019057600000000 ] - [ -0.0001163400000000, 0.0000391200000000, 0.0008812600000000 ] - [ -0.0003731100000000, -0.0002846800000000, -0.0001832800000000 ] - [ -0.0001563200000000, -0.0006170800000000, -0.0005874000000000 ] - [ -0.0005561700000000, 0.0002732500000000, 0.0008788200000000 ] - [ -0.0016652100000000, 0.0014757400000000, 0.0001873100000000 ] - [ 0.0009010600000000, -0.0012936800000000, -0.0012739300000000 ] - [ -0.0001450200000000, -0.0001073200000000, 0.0002235000000000 ] - [ 0.0001597600000000, 0.0000579300000000, 0.0009589100000000 ] - [ 0.0016652000000000, 0.0003750000000000, -0.0016040400000000 ] - [ 0.0003440400000000, 0.0007178900000000, 0.0002344600000000 ] - [ 0.0000203000000000, 0.0000800800000000, 0.0003454700000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001387000000000, -0.0001782200000000, -0.0007125400000000 ] - [ -0.0002673200000000, 0.0025094800000000, 0.0015461100000000 ] - [ 0.0016070500000000, -0.0025944300000000, -0.0003882500000000 ] - [ -0.0000111000000000, 0.0003637000000000, -0.0008136800000000 ] - [ -0.0009922700000000, -0.0007441700000000, -0.0000806400000000 ] - [ 0.0001608000000000, -0.0001193400000000, -0.0006607400000000 ] - [ -0.0007461300000000, 0.0023484200000000, 0.0003855600000000 ] - [ 0.0002142300000000, -0.0000063100000000, -0.0007612200000000 ] - [ 0.0001790800000000, 0.0000571700000000, -0.0007277200000000 ] - [ -0.0006474000000000, -0.0010198600000000, 0.0011882700000000 ] - [ -0.0000916300000000, 0.0000587700000000, -0.0010934900000000 ] - [ 0.0031442700000000, -0.0026856900000000, 0.0011571600000000 ] - [ -0.0001794200000000, 0.0000840500000000, -0.0007290000000000 ] - [ -0.0002664400000000, 0.0002138400000000, 0.0011437400000000 ] - [ 0.0003127700000000, 0.0004089400000000, 0.0004686300000000 ] - [ -0.0004283800000000, -0.0001775900000000, -0.0009898100000000 ] - [ 0.0000458000000000, -0.0006507500000000, 0.0000002000000000 ] - [ -0.0017009300000000, 0.0013670000000000, -0.0015014800000000 ] - [ 0.0017021800000000, -0.0000995800000000, 0.0210182100000000 ] - [ -0.0002082500000000, -0.0001550500000000, -0.0021889500000000 ] - [ 0.0002198700000000, 0.0006540900000000, -0.0001003700000000 ] - [ 0.0004054100000000, -0.0017372400000000, -0.0017978800000000 ] - [ -0.0026093200000000, 0.0003611400000000, 0.0040200400000000 ] - [ 0.0000886900000000, -0.0000175700000000, -0.0021538500000000 ] - [ -0.0016238200000000, -0.0031154400000000, -0.0098330000000000 ] - [ 0.0036301200000000, 0.0007105700000000, -0.0043087300000000 ] - [ -0.0002324700000000, 0.0004400600000000, 0.0028478300000000 ] - [ 0.0000391900000000, 0.0002726900000000, -0.0017278800000000 ] - [ 0.0006572400000000, -0.0029389600000000, 0.0075218300000000 ] - [ 0.0002256500000000, -0.0001246500000000, -0.0019940200000000 ] - [ -0.0000289400000000, 0.0002280400000000, 0.0001618400000000 ] - [ 0.0000870300000000, 0.0000751200000000, -0.0011042200000000 ] - [ -0.0001328300000000, 0.0004664200000000, -0.0014967500000000 ] - [ 0.0010060200000000, 0.0002853100000000, 0.0006347900000000 ] - [ 0.0001926800000000, -0.0002148600000000, 0.0019374000000000 ] - [ 0.0001874400000000, -0.0001083800000000, -0.0018723500000000 ] - [ 0.0020783200000000, 0.0007649500000000, -0.0021720100000000 ] - [ -0.0033443000000000, -0.0020200300000000, -0.0078710600000000 ] - [ -0.0001441100000000, -0.0018963300000000, 0.0025967800000000 ] - [ -0.0001191100000000, 0.0002419700000000, -0.0020919300000000 ] - [ -0.0024362000000000, -0.0000843000000000, -0.0021039000000000 ] - [ 0.0006597400000000, 0.0000346100000000, 0.0015546500000000 ] - [ 0.0001166400000000, -0.0008881000000000, 0.0028876200000000 ] - [ -0.0000384900000000, -0.0000432300000000, -0.0021844800000000 ] - [ -0.0006574700000000, -0.0018659700000000, -0.0026790000000000 ] - [ 0.0005485500000000, 0.0003575400000000, 0.0006205700000000 ] - [ 0.1014898500000000, 0.0161507000000000, 0.1245512700000000 ] - [ -0.0000362400000000, 0.0001382600000000, -0.0028256000000000 ] - [ 0.0092660100000000, 0.0100758300000000, -0.0035819300000000 ] - [ -0.0002620800000000, -0.0001801900000000, 0.0013211600000000 ] - [ 0.0001729900000000, -0.0000374100000000, 0.0007050500000000 ] - [ 0.0005146000000000, -0.0007843300000000, 0.0001324800000000 ] - [ -0.0001663300000000, 0.0001007700000000, 0.0014438400000000 ] - [ -0.0002031900000000, 0.0001275100000000, -0.0017134900000000 ] - [ -0.1415701100000000, -0.0230616700000000, -0.1654419500000000 ] - [ 0.0003289400000000, -0.0002437500000000, 0.0014470600000000 ] - [ -0.0003901300000000, -0.0004792500000000, -0.0010600800000000 ] - [ 0.0000406300000000, -0.0001908900000000, 0.0010569000000000 ] - [ 0.0005277500000000, 0.0009485900000000, -0.0019580400000000 ] - [ -0.0003525800000000, -0.0001109700000000, 0.0010403400000000 ] - [ -0.0000241400000000, 0.0003759500000000, -0.0019613300000000 ] - [ 0.0000881400000000, 0.0003405300000000, 0.0010387000000000 ] - [ 0.0002618500000000, 0.0006250100000000, -0.0015267200000000 ] - [ 0.0001719300000000, 0.0005641300000000, 0.0008452700000000 ] - [ -0.0049958100000000, 0.0013615000000000, -0.0033995500000000 ] - [ 0.0001644100000000, 0.0001271400000000, 0.0013317300000000 ] - [ -0.0007572600000000, -0.0003222400000000, 0.0003481800000000 ] - [ 0.0000436200000000, 0.0026603700000000, 0.0016850100000000 ] - [ 0.0033468600000000, -0.0001015400000000, 0.0028277300000000 ] - [ -0.0015112600000000, 0.0008175700000000, 0.0001608500000000 ] - [ 0.0004171500000000, 0.0003266500000000, 0.0020291800000000 ] - [ -0.0010002300000000, -0.0011345900000000, -0.0025327200000000 ] - [ 0.0004303700000000, -0.0004306200000000, 0.0004874000000000 ] - [ -0.0003145500000000, 0.0010455800000000, 0.0002213900000000 ] - [ 0.0002518200000000, 0.0016373700000000, -0.0018149300000000 ] - [ -0.0002841000000000, 0.0006757200000000, 0.0006956300000000 ] - [ 0.0001475800000000, 0.0013546500000000, -0.0058496300000000 ] - [ 0.0007245700000000, -0.0000180000000000, 0.0007243500000000 ] - [ -0.0004727300000000, -0.0003410900000000, 0.0018821600000000 ] - [ 0.0115474800000000, 0.0027933800000000, 0.0063884400000000 ] - [ 0.0004244200000000, 0.0000498800000000, 0.0003566900000000 ] - [ -0.0000384800000000, -0.0000756100000000, -0.0000539300000000 ] - [ 0.0009829300000000, -0.0002033600000000, -0.0012933300000000 ] - [ 0.0003955600000000, -0.0003535100000000, 0.0008059700000000 ] - [ 0.0002308200000000, -0.0004618600000000, -0.0026577700000000 ] - [ -0.0003828500000000, -0.0006053400000000, 0.0006617500000000 ] - [ -0.0000762700000000, 0.0006387200000000, -0.0010880600000000 ] - [ 0.0001716500000000, 0.0002406600000000, 0.0013811100000000 ] - [ 0.0142454100000000, -0.0004754000000000, 0.0290223200000000 ] - [ -0.0003767600000000, -0.0003104800000000, 0.0028943400000000 ] - [ 0.0065261500000000, -0.0016971500000000, -0.0074412000000000 ] - [ -0.0007063300000000, -0.0001051900000000, 0.0010553600000000 ] - [ 0.0000340900000000, 0.0002409300000000, 0.0003741800000000 ] - [ -0.0001938700000000, 0.0001729400000000, 0.0003736000000000 ] - [ -0.0011797200000000, 0.0000443400000000, 0.0005342000000000 ] - [ 0.0015497000000000, -0.0014066700000000, 0.0025331800000000 ] - [ 0.0010909900000000, -0.0001057500000000, 0.0001086500000000 ] - [ 0.0008350300000000, -0.0005065200000000, -0.0003134400000000 ] - [ -0.0003500700000000, 0.0004989200000000, 0.0008100300000000 ] - [ -0.0003464500000000, -0.0002458600000000, 0.0001684600000000 ] - [ -0.0003616100000000, -0.0004210600000000, -0.0010086100000000 ] - [ -0.0000614400000000, 0.0002981100000000, 0.0026626300000000 ] - [ -0.0001328800000000, -0.0005501500000000, -0.0000281000000000 ] - [ -0.0003184300000000, -0.0000312200000000, -0.0002085100000000 ] - [ -0.0016940700000000, -0.0000415300000000, 0.0030508600000000 ] - [ 0.0005154900000000, 0.0003786100000000, 0.0086538400000000 ] - [ -0.0003342900000000, 0.0001539500000000, -0.0009723100000000 ] - [ -0.0000480000000000, -0.0002082600000000, 0.0016010500000000 ] - [ 0.0004534400000000, 0.0000219500000000, 0.0029161400000000 ] - [ 0.0002882500000000, -0.0000250000000000, -0.0022266600000000 ] - [ 0.0011218100000000, 0.0026948900000000, 0.0025412400000000 ] - [ -0.0006012300000000, -0.0012325000000000, 0.0005359100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001379600000000, 0.0001769700000000, 0.0009828600000000 ] - [ 0.0002478100000000, -0.0024526800000000, -0.0013225700000000 ] - [ -0.0015929100000000, 0.0025828600000000, 0.0006690000000000 ] - [ 0.0000122600000000, -0.0003654500000000, 0.0010842400000000 ] - [ 0.0011588100000000, 0.0004396000000000, 0.0001495000000000 ] - [ 0.0000057100000000, -0.0001797600000000, 0.0007189200000000 ] - [ 0.0009162700000000, -0.0020315900000000, -0.0003148400000000 ] - [ -0.0000351900000000, 0.0003103400000000, 0.0008195900000000 ] - [ 0.0001584200000000, -0.0000652400000000, 0.0007869600000000 ] - [ 0.0009800200000000, 0.0010097900000000, -0.0011392300000000 ] - [ -0.0000885300000000, -0.0003622000000000, 0.0011497800000000 ] - [ -0.0032683100000000, 0.0023195300000000, -0.0011722400000000 ] - [ 0.0000101600000000, 0.0002175000000000, 0.0007892600000000 ] - [ 0.0000973900000000, 0.0000861600000000, -0.0010899400000000 ] - [ -0.0006510700000000, -0.0004019100000000, -0.0003957700000000 ] - [ 0.0000928300000000, 0.0001867100000000, 0.0010475300000000 ] - [ -0.0004780700000000, 0.0006196900000000, -0.0000443900000000 ] - [ 0.0012717100000000, -0.0013960400000000, 0.0014359900000000 ] - [ -0.0012155500000000, -0.0000395400000000, -0.0210787400000000 ] - [ 0.0000145600000000, -0.0002325900000000, 0.0021273200000000 ] - [ -0.0002224000000000, -0.0006445200000000, -0.0001655400000000 ] - [ -0.0004118300000000, 0.0017428900000000, 0.0015126100000000 ] - [ 0.0026280400000000, -0.0003629900000000, -0.0043288200000000 ] - [ -0.0000833600000000, 0.0000142700000000, 0.0018727800000000 ] - [ 0.0018522700000000, 0.0027294800000000, 0.0097235200000000 ] - [ -0.0034042200000000, -0.0010751700000000, 0.0042549900000000 ] - [ 0.0000068200000000, -0.0000763800000000, -0.0029193800000000 ] - [ -0.0002798000000000, 0.0000881000000000, 0.0016659900000000 ] - [ -0.0002255400000000, 0.0029627000000000, -0.0075982300000000 ] - [ 0.0002039200000000, 0.0001488700000000, 0.0019321000000000 ] - [ 0.0002215200000000, 0.0001606300000000, -0.0002125700000000 ] - [ 0.0001077600000000, 0.0003129600000000, 0.0010391500000000 ] - [ 0.0007094200000000, -0.0002448100000000, 0.0014863300000000 ] - [ -0.0004272100000000, -0.0000696200000000, -0.0006592900000000 ] - [ 0.0002760600000000, -0.0001793100000000, -0.0019369900000000 ] - [ 0.0002872200000000, -0.0002736800000000, 0.0018564000000000 ] - [ -0.0025297000000000, -0.0003787200000000, 0.0021616700000000 ] - [ 0.0029052900000000, 0.0024055800000000, 0.0078317100000000 ] - [ 0.0002065900000000, 0.0025512500000000, -0.0026057500000000 ] - [ 0.0002132100000000, 0.0003689000000000, 0.0020747300000000 ] - [ 0.0024191400000000, 0.0000830700000000, 0.0020614600000000 ] - [ -0.0006593500000000, -0.0000347500000000, -0.0016102800000000 ] - [ -0.0000940400000000, 0.0008456700000000, -0.0028926400000000 ] - [ 0.0000338000000000, 0.0000445500000000, 0.0021407100000000 ] - [ 0.0005584800000000, 0.0012409100000000, 0.0026618500000000 ] - [ -0.0006462200000000, -0.0009734600000000, -0.0006444100000000 ] - [ -0.0966705300000000, -0.0155238800000000, -0.1215610500000000 ] - [ -0.0005424400000000, -0.0003532400000000, 0.0028103400000000 ] - [ -0.0094471200000000, -0.0096140800000000, 0.0038888400000000 ] - [ 0.0000348800000000, 0.0005792300000000, -0.0009479800000000 ] - [ 0.0000561300000000, -0.0003588100000000, -0.0003395100000000 ] - [ -0.0002864400000000, 0.0003910100000000, 0.0002424200000000 ] - [ -0.0002677100000000, 0.0002509300000000, -0.0015168700000000 ] - [ -0.0002366000000000, 0.0002224400000000, 0.0016527100000000 ] - [ 0.1350364400000000, 0.0213318500000000, 0.1623663600000000 ] - [ -0.0004602600000000, -0.0003645900000000, -0.0013891800000000 ] - [ 0.0001601700000000, 0.0000831800000000, 0.0014245000000000 ] - [ -0.0002640300000000, -0.0002070700000000, -0.0006897100000000 ] - [ -0.0009839700000000, -0.0005388700000000, 0.0020189600000000 ] - [ -0.0001051200000000, 0.0005332000000000, -0.0009889500000000 ] - [ 0.0006238000000000, -0.0001890600000000, 0.0020144300000000 ] - [ 0.0005100000000000, -0.0001584800000000, -0.0009908400000000 ] - [ -0.0004559600000000, -0.0000099000000000, 0.0013187600000000 ] - [ -0.0003768300000000, 0.0000575500000000, -0.0010560100000000 ] - [ 0.0055083400000000, -0.0013812400000000, 0.0037305000000000 ] - [ 0.0002987100000000, -0.0001319900000000, -0.0009568900000000 ] - [ 0.0001160600000000, 0.0004527400000000, -0.0005662400000000 ] - [ -0.0006860900000000, -0.0025296600000000, -0.0018931800000000 ] - [ -0.0031882300000000, 0.0013772800000000, -0.0033415100000000 ] - [ 0.0016447600000000, 0.0004642700000000, -0.0006958900000000 ] - [ 0.0001043900000000, -0.0001211900000000, -0.0020995400000000 ] - [ 0.0015256000000000, 0.0013387400000000, 0.0024713100000000 ] - [ 0.0000105300000000, 0.0009111400000000, -0.0006998500000000 ] - [ 0.0007571400000000, -0.0005627700000000, -0.0004291400000000 ] - [ -0.0012948400000000, -0.0008673700000000, 0.0012800400000000 ] - [ -0.0007628100000000, 0.0000852400000000, -0.0012293400000000 ] - [ 0.0010603600000000, -0.0007568200000000, 0.0052954300000000 ] - [ 0.0004543700000000, 0.0005465500000000, -0.0012587000000000 ] - [ 0.0003858700000000, -0.0002043100000000, -0.0019535200000000 ] - [ -0.0117387100000000, -0.0033522500000000, -0.0064707700000000 ] - [ -0.0002139300000000, -0.0006661900000000, -0.0005734200000000 ] - [ 0.0002432200000000, -0.0005436000000000, -0.0001547700000000 ] - [ -0.0003464400000000, 0.0000751500000000, 0.0010809000000000 ] - [ 0.0002450500000000, 0.0002203500000000, -0.0010183800000000 ] - [ -0.0003710300000000, -0.0008070900000000, 0.0021162800000000 ] - [ 0.0002582000000000, -0.0006751400000000, -0.0011987400000000 ] - [ 0.0001630300000000, -0.0000912900000000, 0.0010073400000000 ] - [ -0.0000862200000000, 0.0003029000000000, -0.0014480300000000 ] - [ -0.0135319800000000, 0.0000655700000000, -0.0285123600000000 ] - [ 0.0008160800000000, -0.0000400400000000, -0.0029723200000000 ] - [ -0.0070144700000000, 0.0011963500000000, 0.0071578400000000 ] - [ 0.0002644100000000, -0.0003820000000000, -0.0012650700000000 ] - [ 0.0000985000000000, 0.0003669700000000, -0.0003207000000000 ] - [ 0.0003243900000000, 0.0004356500000000, -0.0003182200000000 ] - [ 0.0005717400000000, -0.0002250900000000, -0.0004869600000000 ] - [ -0.0021564500000000, 0.0012264300000000, -0.0024849900000000 ] - [ -0.0000375000000000, -0.0006466200000000, -0.0006497900000000 ] - [ 0.0002107300000000, -0.0002500600000000, -0.0002176900000000 ] - [ -0.0001131900000000, -0.0004922300000000, -0.0004396200000000 ] - [ -0.0001155900000000, 0.0002515500000000, 0.0002090500000000 ] - [ 0.0003597100000000, 0.0004262200000000, 0.0022583700000000 ] - [ 0.0000648400000000, -0.0002939800000000, -0.0013805700000000 ] - [ -0.0010458400000000, 0.0000181500000000, -0.0005107800000000 ] - [ -0.0008564400000000, -0.0004988300000000, -0.0003235400000000 ] - [ 0.0019053700000000, 0.0004389300000000, -0.0026615400000000 ] - [ -0.0003073600000000, 0.0000140000000000, -0.0083725600000000 ] - [ -0.0001826300000000, -0.0003617800000000, 0.0008832500000000 ] - [ -0.0004732000000000, 0.0000080100000000, -0.0016691700000000 ] - [ -0.0004528500000000, -0.0000264300000000, -0.0016353900000000 ] - [ -0.0002896900000000, 0.0000205400000000, 0.0035190800000000 ] - [ -0.0006565000000000, -0.0030913000000000, -0.0024798500000000 ] - [ 0.0010619700000000, 0.0008165400000000, -0.0004829100000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0002838400000000, -0.0000284000000000, -0.0001102100000000 ] - [ -0.0019845500000000, -0.0002073400000000, 0.0011194500000000 ] - [ -0.0028470700000000, -0.0007787100000000, -0.0004962600000000 ] - [ -0.0001523500000000, -0.0000264200000000, 0.0000588700000000 ] - [ 0.0020656600000000, 0.0027280800000000, 0.0034785800000000 ] - [ 0.0001486900000000, -0.0000411300000000, -0.0002722900000000 ] - [ -0.0003213600000000, -0.0015657000000000, 0.0009642200000000 ] - [ -0.0000132400000000, -0.0000178200000000, -0.0001527500000000 ] - [ 0.0002488400000000, 0.0000773100000000, -0.0001116700000000 ] - [ 0.0010816800000000, 0.0003036500000000, 0.0002704300000000 ] - [ -0.0001648400000000, -0.0002714100000000, -0.0000302700000000 ] - [ -0.0014128200000000, -0.0011628100000000, -0.0009907700000000 ] - [ 0.0001570600000000, 0.0001938300000000, -0.0002297900000000 ] - [ 0.0042952600000000, 0.0018678300000000, -0.0003128400000000 ] - [ 0.0005917000000000, 0.0022181400000000, -0.0010286700000000 ] - [ 0.0000333900000000, 0.0000621900000000, -0.0001387200000000 ] - [ 0.0012815100000000, 0.0028044600000000, -0.0071150300000000 ] - [ 0.0011843300000000, 0.0007625700000000, 0.0002355500000000 ] - [ -0.0086983900000000, 0.0074664000000000, 0.0084466900000000 ] - [ -0.0002729200000000, -0.0001566200000000, -0.0005634400000000 ] - [ 0.0003091000000000, 0.0000737500000000, -0.0000187500000000 ] - [ 0.0003040300000000, 0.0006265800000000, -0.0003201100000000 ] - [ 0.0382106200000000, 0.0444182600000000, 0.0154721800000000 ] - [ 0.0000631300000000, 0.0000256800000000, -0.0004595100000000 ] - [ -0.0007495200000000, -0.0001847300000000, 0.0021298000000000 ] - [ -0.0011598900000000, -0.0002437000000000, -0.0005507000000000 ] - [ -0.0010037500000000, -0.0109717200000000, 0.0007207100000000 ] - [ -0.0001305700000000, 0.0000970200000000, -0.0005993500000000 ] - [ -0.0031573500000000, 0.0061671700000000, -0.0016762100000000 ] - [ 0.0002474300000000, 0.0000789300000000, -0.0002596200000000 ] - [ -0.0004765700000000, -0.0000673800000000, 0.0002547700000000 ] - [ -0.0003701800000000, -0.0007101400000000, -0.0005811000000000 ] - [ -0.0001238100000000, -0.0017136600000000, -0.0007979600000000 ] - [ 0.0002500600000000, -0.0006399100000000, 0.0016293500000000 ] - [ -0.0023124600000000, -0.0023338000000000, 0.0016940900000000 ] - [ 0.0000562300000000, -0.0002164000000000, -0.0005505900000000 ] - [ -0.0018005000000000, 0.0013703900000000, -0.0016277500000000 ] - [ -0.0013312600000000, 0.0005215900000000, 0.0023190200000000 ] - [ 0.2094815600000000, 0.0721722000000000, 0.0554725200000000 ] - [ 0.0002283600000000, 0.0003967600000000, -0.0004578500000000 ] - [ 0.0012844900000000, 0.0005359500000000, 0.0004182200000000 ] - [ 0.0003021800000000, 0.0005512300000000, -0.0063339500000000 ] - [ 0.0015097000000000, 0.0036722700000000, 0.0008727100000000 ] - [ 0.0000517400000000, 0.0000745200000000, -0.0003619200000000 ] - [ 0.0003061700000000, 0.0005213500000000, 0.0004661100000000 ] - [ -0.0002715400000000, 0.0008383900000000, -0.0025163000000000 ] - [ -0.0154037900000000, 0.0015696500000000, 0.0024426200000000 ] - [ -0.0003770100000000, -0.0001299800000000, -0.0005485000000000 ] - [ 0.0070455400000000, -0.0016449800000000, -0.0005685900000000 ] - [ -0.0000936500000000, 0.0001696800000000, 0.0004086000000000 ] - [ 0.0002793200000000, 0.0008277500000000, 0.0021336900000000 ] - [ -0.0002303600000000, -0.0001476200000000, -0.0009051400000000 ] - [ -0.0000900700000000, 0.0005291600000000, 0.0005411600000000 ] - [ 0.0003150300000000, 0.0024966400000000, -0.0019330500000000 ] - [ 0.0082994700000000, -0.0006337500000000, 0.0003785500000000 ] - [ 0.0001520100000000, -0.0002696700000000, 0.0003035200000000 ] - [ 0.0023561800000000, 0.0030959500000000, 0.0008265500000000 ] - [ 0.0000561200000000, -0.0001327400000000, 0.0004223400000000 ] - [ 0.0131069300000000, 0.0219040900000000, -0.0046480900000000 ] - [ -0.0002725400000000, 0.0001222500000000, 0.0003896200000000 ] - [ 0.0016582700000000, -0.0005987800000000, -0.0001839900000000 ] - [ 0.0003082300000000, 0.0001292000000000, 0.0002360000000000 ] - [ -0.3015250800000000, -0.1581125900000000, -0.0969465500000000 ] - [ -0.0001972200000000, 0.0002548600000000, 0.0000719400000000 ] - [ 0.0300191100000000, -0.0074144300000000, 0.0037126500000000 ] - [ 0.0001812800000000, 0.0000093400000000, 0.0003832900000000 ] - [ -0.0000655500000000, -0.0005087100000000, 0.0001386500000000 ] - [ -0.0003010600000000, -0.0005887400000000, -0.0006618800000000 ] - [ -0.0003117400000000, 0.0007654100000000, -0.0011901000000000 ] - [ 0.0012596500000000, 0.0006759600000000, 0.0011592400000000 ] - [ 0.0001815700000000, 0.0000000800000000, -0.0000673900000000 ] - [ 0.0016525200000000, -0.0015255500000000, 0.0025350400000000 ] - [ 0.0000811400000000, 0.0008052200000000, -0.0000697000000000 ] - [ -0.0000331400000000, 0.0005263000000000, -0.0003712800000000 ] - [ -0.0019643300000000, -0.0056013400000000, -0.0008508500000000 ] - [ -0.0005819000000000, 0.0003404400000000, -0.0001364400000000 ] - [ 0.0015809500000000, -0.0036836100000000, -0.0008407900000000 ] - [ 0.0006150600000000, 0.0001404900000000, -0.0000484100000000 ] - [ 0.0001297600000000, -0.0004964700000000, 0.0008476400000000 ] - [ 0.0010208700000000, -0.0015187800000000, -0.0034928900000000 ] - [ -0.0004314400000000, -0.0006596700000000, -0.0001909000000000 ] - [ -0.0004308500000000, -0.0009781200000000, 0.0005352500000000 ] - [ -0.0036404600000000, 0.0028494100000000, -0.0009584200000000 ] - [ 0.0003249400000000, -0.0001195700000000, 0.0001168300000000 ] - [ -0.0007558200000000, 0.0017655900000000, -0.0001396200000000 ] - [ -0.0001511200000000, -0.0005966600000000, -0.0000599600000000 ] - [ 0.0004493000000000, 0.0004867800000000, -0.0008463400000000 ] - [ 0.0001162400000000, 0.0004222200000000, 0.0005322200000000 ] - [ 0.0033338000000000, -0.0001375200000000, -0.0028288100000000 ] - [ 0.0004627800000000, -0.0001620500000000, 0.0004278900000000 ] - [ 0.0167974900000000, 0.0089819100000000, -0.0005115700000000 ] - [ -0.0002479500000000, -0.0002085800000000, 0.0001036000000000 ] - [ 0.0006256300000000, 0.0010323400000000, 0.0001705200000000 ] - [ 0.0006291300000000, 0.0006853900000000, -0.0002944000000000 ] - [ 0.0008565600000000, -0.0014316800000000, 0.0024630600000000 ] - [ -0.0005339700000000, -0.0000974500000000, -0.0005332200000000 ] - [ -0.0014716000000000, -0.0015859900000000, 0.0002669500000000 ] - [ -0.0005810400000000, -0.0014722700000000, 0.0010737400000000 ] - [ -0.0000567500000000, -0.0002574700000000, 0.0001563800000000 ] - [ 0.0003299800000000, -0.0003951800000000, 0.0006857600000000 ] - [ -0.0003811700000000, -0.0004680700000000, 0.0000230100000000 ] - [ -0.0000601400000000, -0.0001256300000000, 0.0009072900000000 ] - [ -0.0009385200000000, -0.0003119200000000, -0.0003776000000000 ] - [ -0.0014173900000000, 0.0008804600000000, 0.0014959900000000 ] - [ 0.0011958700000000, 0.0002176400000000, -0.0000209100000000 ] - [ 0.0013479900000000, 0.0003100800000000, -0.0002299100000000 ] - [ 0.0025814600000000, 0.0065301700000000, 0.0148294100000000 ] - [ -0.0005171200000000, -0.0002312600000000, 0.0002145500000000 ] - [ -0.0002233700000000, -0.0001251000000000, 0.0008298900000000 ] - [ -0.0019030000000000, 0.0054159400000000, 0.0115582800000000 ] - [ 0.0005768100000000, -0.0007555300000000, -0.0009351700000000 ] - [ 0.0006080400000000, -0.0001017100000000, 0.0007098900000000 ]- atom: 63 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0002832300000000, 0.0000281300000000, 0.0003797800000000 ] - [ 0.0019785500000000, 0.0002026900000000, -0.0008396300000000 ] - [ 0.0028424300000000, 0.0007672000000000, 0.0007574800000000 ] - [ 0.0001526400000000, 0.0000259100000000, 0.0002120000000000 ] - [ -0.0019251100000000, -0.0030019300000000, -0.0033897700000000 ] - [ 0.0000177100000000, -0.0002558100000000, 0.0003300700000000 ] - [ 0.0004901600000000, 0.0018659800000000, -0.0009068800000000 ] - [ 0.0001863000000000, 0.0003162600000000, 0.0002111600000000 ] - [ 0.0000823800000000, -0.0000829300000000, 0.0001704600000000 ] - [ -0.0007374500000000, -0.0003164100000000, -0.0002174800000000 ] - [ -0.0000075300000000, -0.0000257600000000, 0.0000886000000000 ] - [ 0.0012299900000000, 0.0008629600000000, 0.0010577700000000 ] - [ -0.0003242400000000, 0.0001025800000000, 0.0002892000000000 ] - [ -0.0044592000000000, -0.0015485900000000, 0.0003634200000000 ] - [ -0.0009074400000000, -0.0022002900000000, 0.0010869600000000 ] - [ -0.0003632100000000, -0.0000545700000000, 0.0001965900000000 ] - [ -0.0017059900000000, -0.0028349800000000, 0.0070579400000000 ] - [ -0.0016021700000000, -0.0007838600000000, -0.0002995100000000 ] - [ 0.0084864200000000, -0.0077988000000000, -0.0084379300000000 ] - [ 0.0000771900000000, -0.0002314900000000, 0.0005010600000000 ] - [ -0.0003145200000000, -0.0000684700000000, -0.0002627800000000 ] - [ -0.0003107200000000, -0.0006216800000000, 0.0000404500000000 ] - [ -0.0381611100000000, -0.0455894900000000, -0.0161840200000000 ] - [ -0.0000566800000000, -0.0000288800000000, 0.0001806400000000 ] - [ 0.0009831300000000, -0.0001749000000000, -0.0022013300000000 ] - [ 0.0013874100000000, -0.0001122000000000, 0.0004909300000000 ] - [ 0.0007515000000000, 0.0113035700000000, -0.0007823500000000 ] - [ -0.0001100000000000, 0.0002638200000000, 0.0005360900000000 ] - [ 0.0036005700000000, -0.0061844900000000, 0.0016275300000000 ] - [ 0.0001825300000000, -0.0000540600000000, 0.0001972300000000 ] - [ 0.0006686400000000, 0.0004517000000000, -0.0003103800000000 ] - [ 0.0005642400000000, 0.0010878100000000, 0.0005175300000000 ] - [ 0.0007000300000000, 0.0019307800000000, 0.0007821900000000 ] - [ 0.0003299100000000, 0.0008547300000000, -0.0016343500000000 ] - [ 0.0027675300000000, 0.0018723500000000, -0.0016765500000000 ] - [ 0.0004181300000000, -0.0001666100000000, 0.0005344900000000 ] - [ 0.0013276600000000, -0.0009836300000000, 0.0016078400000000 ] - [ 0.0008577700000000, -0.0001369700000000, -0.0023212900000000 ] - [ -0.1983194000000000, -0.0659773700000000, -0.0513232500000000 ] - [ -0.0001330900000000, 0.0002154200000000, 0.0004404300000000 ] - [ -0.0012864300000000, -0.0005354300000000, -0.0004583400000000 ] - [ -0.0002916400000000, -0.0005473800000000, 0.0062177900000000 ] - [ -0.0015040300000000, -0.0036506900000000, -0.0009181900000000 ] - [ -0.0000564500000000, -0.0000731100000000, 0.0003184400000000 ] - [ -0.0003995600000000, -0.0011385800000000, -0.0004835800000000 ] - [ 0.0001752500000000, -0.0014516800000000, 0.0025087700000000 ] - [ 0.0148216700000000, -0.0017741400000000, -0.0024669200000000 ] - [ -0.0002014300000000, -0.0000830800000000, 0.0005304500000000 ] - [ -0.0073280600000000, 0.0020624500000000, 0.0009505600000000 ] - [ -0.0001337200000000, 0.0002276500000000, -0.0000334600000000 ] - [ -0.0000494700000000, -0.0012204500000000, -0.0017611400000000 ] - [ 0.0004545700000000, -0.0002495900000000, 0.0012724600000000 ] - [ -0.0003430700000000, -0.0001750400000000, -0.0006118000000000 ] - [ -0.0007468600000000, -0.0021333700000000, 0.0018461900000000 ] - [ -0.0084079000000000, 0.0000207600000000, -0.0003376100000000 ] - [ -0.0002808500000000, -0.0003381600000000, -0.0002449200000000 ] - [ -0.0025539500000000, -0.0034667000000000, -0.0004527800000000 ] - [ -0.0002786500000000, -0.0002645700000000, -0.0000535200000000 ] - [ -0.0134018500000000, -0.0212039000000000, 0.0046280300000000 ] - [ -0.0001858200000000, 0.0002983100000000, -0.0003361300000000 ] - [ -0.0010690000000000, 0.0008157400000000, 0.0002397600000000 ] - [ 0.0002892900000000, 0.0000539500000000, -0.0001863900000000 ] - [ 0.2896173600000000, 0.1540296600000000, 0.0927533600000000 ] - [ -0.0000087100000000, 0.0003669800000000, -0.0002821300000000 ] - [ -0.0290103900000000, 0.0072758300000000, -0.0031977700000000 ] - [ 0.0002816700000000, -0.0000140500000000, -0.0000068900000000 ] - [ -0.0005735900000000, 0.0006426400000000, -0.0003494100000000 ] - [ -0.0003381100000000, 0.0007204500000000, 0.0004456700000000 ] - [ 0.0004468300000000, 0.0005161100000000, 0.0006547800000000 ] - [ -0.0011155500000000, 0.0006042700000000, -0.0016793100000000 ] - [ 0.0003394100000000, 0.0002025800000000, -0.0000030800000000 ] - [ -0.0011311300000000, 0.0017303300000000, -0.0026186800000000 ] - [ 0.0003632700000000, -0.0003193700000000, -0.0001387000000000 ] - [ 0.0004748600000000, -0.0000387500000000, 0.0001592700000000 ] - [ 0.0009301100000000, 0.0063474200000000, 0.0003133600000000 ] - [ -0.0004643900000000, 0.0004209800000000, -0.0003974000000000 ] - [ -0.0004091800000000, 0.0041853600000000, 0.0002998800000000 ] - [ 0.0005642100000000, 0.0003871000000000, -0.0004860900000000 ] - [ -0.0002135600000000, -0.0000493500000000, -0.0009157700000000 ] - [ -0.0011140900000000, 0.0009668400000000, 0.0033989000000000 ] - [ 0.0006371900000000, 0.0000376500000000, -0.0000195800000000 ] - [ 0.0006367600000000, 0.0003563700000000, -0.0007472600000000 ] - [ 0.0042807200000000, -0.0028267100000000, 0.0007315500000000 ] - [ 0.0003155900000000, -0.0000137000000000, -0.0003282600000000 ] - [ 0.0006224100000000, -0.0030445000000000, -0.0003954400000000 ] - [ 0.0000253800000000, -0.0006828200000000, -0.0004771200000000 ] - [ -0.0003640800000000, 0.0000730100000000, 0.0007612600000000 ] - [ -0.0000303200000000, 0.0001234800000000, -0.0006001100000000 ] - [ -0.0028911600000000, -0.0002151500000000, 0.0027666400000000 ] - [ -0.0000236700000000, -0.0001897800000000, -0.0005002300000000 ] - [ -0.0173391500000000, -0.0096193200000000, 0.0002932500000000 ] - [ -0.0001954500000000, -0.0002779200000000, -0.0003116800000000 ] - [ -0.0004938000000000, -0.0004217400000000, -0.0001128800000000 ] - [ -0.0004959000000000, -0.0000740700000000, 0.0003454300000000 ] - [ -0.0014576700000000, 0.0012480600000000, -0.0023981900000000 ] - [ -0.0000695700000000, -0.0000838800000000, 0.0005755300000000 ] - [ 0.0025150100000000, 0.0008253800000000, -0.0008064500000000 ] - [ 0.0016195100000000, 0.0007066000000000, -0.0015941700000000 ] - [ -0.0004055900000000, 0.0002614000000000, 0.0002158500000000 ] - [ -0.0007936500000000, 0.0004042200000000, -0.0003125600000000 ] - [ 0.0003831200000000, 0.0004689600000000, 0.0012540700000000 ] - [ 0.0000636700000000, 0.0001300400000000, 0.0003717600000000 ] - [ -0.0002450700000000, -0.0002150000000000, -0.0001605000000000 ] - [ 0.0002354500000000, -0.0013992800000000, -0.0020192200000000 ] - [ -0.0009683300000000, 0.0001800000000000, 0.0003959500000000 ] - [ -0.0011162800000000, 0.0000875100000000, 0.0005956900000000 ] - [ -0.0031598200000000, -0.0066828500000000, -0.0148153900000000 ] - [ -0.0000061700000000, 0.0000303700000000, -0.0002834900000000 ] - [ 0.0002204100000000, 0.0001203000000000, 0.0004469800000000 ] - [ 0.0019756900000000, -0.0053903200000000, -0.0101926700000000 ] - [ -0.0001163600000000, 0.0003386400000000, 0.0009927700000000 ] - [ -0.0001480700000000, -0.0003207200000000, -0.0006595800000000 ]- atom: 63 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0000150700000000, 0.0000184400000000, 0.0000909400000000 ] - [ -0.0000360300000000, 0.0004553700000000, 0.0001263700000000 ] - [ 0.0001669800000000, 0.0005111000000000, 0.0003936200000000 ] - [ 0.0000168300000000, 0.0000524300000000, 0.0001219500000000 ] - [ 0.0016895100000000, -0.0008632700000000, -0.0037881500000000 ] - [ 0.0000468600000000, -0.0000456100000000, 0.0000516300000000 ] - [ -0.0004569900000000, -0.0001342300000000, 0.0001705200000000 ] - [ 0.0000306500000000, 0.0000381800000000, -0.0000479600000000 ] - [ 0.0002055600000000, -0.0000327100000000, 0.0000559700000000 ] - [ 0.0009875600000000, -0.0011768700000000, -0.0010314300000000 ] - [ -0.0000920400000000, -0.0001867900000000, -0.0000211000000000 ] - [ -0.0004487400000000, -0.0005257400000000, 0.0000301300000000 ] - [ -0.0000745300000000, 0.0001952200000000, -0.0001316300000000 ] - [ -0.0009599300000000, 0.0015223100000000, 0.0026701500000000 ] - [ 0.0010053700000000, -0.0013353800000000, 0.0018737900000000 ] - [ -0.0001121500000000, -0.0000361500000000, -0.0001218500000000 ] - [ -0.0005793800000000, 0.0020010500000000, -0.0020232900000000 ] - [ -0.0001679000000000, 0.0008528000000000, 0.0001210700000000 ] - [ 0.0049178200000000, -0.0046900500000000, -0.0044522000000000 ] - [ -0.0000905500000000, -0.0002125700000000, -0.0001052800000000 ] - [ 0.0001936900000000, -0.0006233800000000, -0.0009247400000000 ] - [ 0.0001011600000000, -0.0007456700000000, 0.0000150500000000 ] - [ 0.0192692500000000, 0.0810003700000000, 0.0231559400000000 ] - [ 0.0000050100000000, 0.0000264800000000, -0.0002605100000000 ] - [ 0.0004318600000000, 0.0003129700000000, -0.0000786300000000 ] - [ -0.0001077000000000, 0.0005457000000000, -0.0002606700000000 ] - [ -0.0023259400000000, -0.0040337600000000, -0.0003775200000000 ] - [ -0.0001411600000000, 0.0001624400000000, -0.0002020000000000 ] - [ 0.0072591100000000, -0.0026967600000000, 0.0015974000000000 ] - [ 0.0002702600000000, -0.0000210600000000, -0.0002057900000000 ] - [ -0.0002848800000000, -0.0001776500000000, 0.0011732300000000 ] - [ 0.0000948000000000, -0.0006515700000000, -0.0001811100000000 ] - [ -0.0002971300000000, -0.0004108300000000, -0.0001072500000000 ] - [ 0.0000048300000000, -0.0004250400000000, 0.0005696600000000 ] - [ -0.0009272100000000, -0.0095327600000000, 0.0026082500000000 ] - [ 0.0002008300000000, -0.0002500500000000, -0.0001618500000000 ] - [ -0.0000169900000000, -0.0000239000000000, 0.0002424100000000 ] - [ 0.0004181200000000, 0.0000017200000000, -0.0017539000000000 ] - [ -0.0422282800000000, 0.0225067000000000, -0.0076874800000000 ] - [ 0.0000332700000000, 0.0004017500000000, -0.0001623000000000 ] - [ -0.0002140500000000, 0.0010829900000000, 0.0001407900000000 ] - [ 0.0004082600000000, 0.0007976900000000, -0.0040359100000000 ] - [ -0.0008566800000000, -0.0073311000000000, -0.0012287500000000 ] - [ 0.0000161600000000, -0.0000663400000000, -0.0000767300000000 ] - [ 0.0005989600000000, -0.0006278200000000, -0.0005254200000000 ] - [ 0.0005955000000000, -0.0009406200000000, 0.0019823200000000 ] - [ 0.0016853400000000, 0.0049483800000000, 0.0014311800000000 ] - [ -0.0002542500000000, -0.0000014400000000, -0.0002270200000000 ] - [ -0.0050366600000000, -0.0014912000000000, 0.0002986500000000 ] - [ -0.0001434300000000, 0.0001184300000000, 0.0002514900000000 ] - [ 0.0003423500000000, 0.0001084400000000, 0.0008647500000000 ] - [ 0.0004153200000000, -0.0002664000000000, -0.0004409300000000 ] - [ -0.0000943700000000, 0.0002761200000000, 0.0001021000000000 ] - [ 0.0003179600000000, 0.0011432900000000, -0.0005941100000000 ] - [ -0.0025961600000000, -0.0008386800000000, 0.0001218600000000 ] - [ -0.0000538500000000, -0.0003153000000000, 0.0001092400000000 ] - [ 0.0027666900000000, 0.0026621400000000, 0.0004680900000000 ] - [ -0.0000678600000000, -0.0001711200000000, 0.0002517900000000 ] - [ 0.0138017300000000, 0.0042366100000000, -0.0021135400000000 ] - [ -0.0002250600000000, 0.0001578100000000, 0.0001465800000000 ] - [ -0.0020268500000000, 0.0040125800000000, 0.0006881300000000 ] - [ 0.0002638700000000, 0.0001449500000000, 0.0000979400000000 ] - [ 0.0138835600000000, -0.1172853900000000, -0.0211103900000000 ] - [ -0.0001040200000000, 0.0002702500000000, -0.0000432600000000 ] - [ -0.0203975000000000, -0.0026050800000000, -0.0028734900000000 ] - [ 0.0002423700000000, -0.0000394300000000, 0.0002654700000000 ] - [ -0.0005729500000000, 0.0003522900000000, -0.0000902700000000 ] - [ -0.0005577800000000, 0.0006869400000000, 0.0003243800000000 ] - [ 0.0001565100000000, 0.0003867600000000, -0.0003210000000000 ] - [ 0.0009293500000000, 0.0004669200000000, 0.0008812000000000 ] - [ 0.0001650100000000, 0.0001083600000000, 0.0002307700000000 ] - [ -0.0013994600000000, 0.0005133700000000, -0.0021477800000000 ] - [ 0.0004433700000000, 0.0003892500000000, 0.0000923700000000 ] - [ 0.0002221600000000, 0.0005355400000000, -0.0002597300000000 ] - [ -0.0035071500000000, 0.0097215300000000, -0.0002433700000000 ] - [ -0.0005188300000000, 0.0004127100000000, -0.0001990700000000 ] - [ -0.0012473900000000, 0.0046999600000000, -0.0004157600000000 ] - [ 0.0005650700000000, 0.0003087300000000, -0.0002422100000000 ] - [ -0.0000595200000000, -0.0002503900000000, -0.0000462700000000 ] - [ -0.0011648300000000, -0.0000180400000000, 0.0020437500000000 ] - [ -0.0002066700000000, -0.0001194500000000, 0.0004091800000000 ] - [ 0.0000678000000000, 0.0000416100000000, -0.0007480400000000 ] - [ 0.0014784700000000, 0.0182837400000000, -0.0011767900000000 ] - [ 0.0003310400000000, -0.0000529800000000, -0.0000387000000000 ] - [ 0.0006605300000000, 0.0010104600000000, -0.0002758300000000 ] - [ -0.0000696100000000, -0.0006158200000000, -0.0002150000000000 ] - [ -0.0002309000000000, 0.0020560100000000, -0.0018103700000000 ] - [ 0.0000337300000000, 0.0004253900000000, 0.0000962700000000 ] - [ -0.0002483800000000, -0.0008301400000000, -0.0003379400000000 ] - [ 0.0002761400000000, -0.0002830200000000, 0.0002314300000000 ] - [ 0.0025692800000000, -0.0032063900000000, -0.0007170200000000 ] - [ -0.0002374500000000, -0.0002462600000000, -0.0000130100000000 ] - [ 0.0006177800000000, 0.0005686300000000, -0.0002447800000000 ] - [ 0.0002839400000000, 0.0005707600000000, -0.0001234400000000 ] - [ 0.0000980400000000, -0.0009194000000000, -0.0003427900000000 ] - [ -0.0002363400000000, -0.0004278600000000, 0.0004582300000000 ] - [ 0.0004610700000000, -0.0012985400000000, 0.0002947800000000 ] - [ 0.0002189200000000, -0.0014524700000000, 0.0002646600000000 ] - [ -0.0005330300000000, 0.0003361900000000, -0.0000325000000000 ] - [ -0.0007246100000000, 0.0007571000000000, -0.0001001700000000 ] - [ -0.0000406000000000, 0.0014956500000000, 0.0016696000000000 ] - [ -0.0000144000000000, 0.0001407700000000, 0.0006446200000000 ] - [ -0.0003509000000000, -0.0005022400000000, -0.0008974000000000 ] - [ -0.0008218900000000, 0.0003342300000000, 0.0005852300000000 ] - [ -0.0000058700000000, 0.0001653800000000, 0.0001783000000000 ] - [ -0.0003203800000000, -0.0000021300000000, 0.0005742400000000 ] - [ 0.0089421800000000, -0.0027281000000000, 0.0084624000000000 ] - [ -0.0002824500000000, -0.0002385300000000, 0.0000354500000000 ] - [ 0.0000129500000000, -0.0001988700000000, 0.0007153700000000 ] - [ 0.0037140900000000, -0.0002116600000000, 0.0079122100000000 ] - [ -0.0002100000000000, -0.0002564400000000, 0.0004546400000000 ] - [ 0.0000598800000000, -0.0006625400000000, -0.0004521000000000 ]- atom: 63 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0000160300000000, -0.0000179400000000, 0.0001812300000000 ] - [ 0.0000450200000000, -0.0004554700000000, 0.0001420500000000 ] - [ -0.0001534200000000, -0.0005085700000000, -0.0001242000000000 ] - [ -0.0000157900000000, -0.0000530200000000, 0.0001498800000000 ] - [ -0.0015598800000000, 0.0006002400000000, 0.0038813600000000 ] - [ 0.0001179400000000, -0.0002477100000000, 0.0000093100000000 ] - [ 0.0006293500000000, 0.0004318200000000, -0.0001124100000000 ] - [ 0.0001436700000000, 0.0002620200000000, 0.0001080800000000 ] - [ 0.0001230800000000, 0.0000268500000000, 0.0000034300000000 ] - [ -0.0006591000000000, 0.0011723800000000, 0.0011014400000000 ] - [ -0.0000823300000000, -0.0001125900000000, 0.0000813900000000 ] - [ 0.0002723400000000, 0.0002267100000000, 0.0000295500000000 ] - [ -0.0000945400000000, 0.0001012100000000, 0.0001935600000000 ] - [ 0.0007755400000000, -0.0011815600000000, -0.0026826900000000 ] - [ -0.0013455700000000, 0.0013382100000000, -0.0018245400000000 ] - [ -0.0002179500000000, 0.0000432600000000, 0.0001818900000000 ] - [ 0.0001469800000000, -0.0020558900000000, 0.0020165400000000 ] - [ -0.0002631700000000, -0.0008829200000000, -0.0001835300000000 ] - [ -0.0051094700000000, 0.0042811300000000, 0.0043829800000000 ] - [ -0.0001046500000000, -0.0001762900000000, 0.0000482800000000 ] - [ -0.0002044300000000, 0.0006279100000000, 0.0006387000000000 ] - [ -0.0001119300000000, 0.0007468400000000, -0.0002923800000000 ] - [ -0.0209656600000000, -0.0828405900000000, -0.0243733100000000 ] - [ 0.0000012400000000, -0.0000302100000000, -0.0000148800000000 ] - [ -0.0001916200000000, -0.0006708800000000, 0.0000149700000000 ] - [ 0.0003472300000000, -0.0009039400000000, 0.0002026900000000 ] - [ 0.0020959500000000, 0.0044540400000000, 0.0003169000000000 ] - [ -0.0000996900000000, 0.0001987800000000, 0.0001435500000000 ] - [ -0.0067973400000000, 0.0027170000000000, -0.0016496400000000 ] - [ 0.0001593800000000, 0.0000457100000000, 0.0001461600000000 ] - [ 0.0004874100000000, 0.0005656400000000, -0.0012489900000000 ] - [ 0.0001033500000000, 0.0010380900000000, 0.0001240100000000 ] - [ 0.0008797500000000, 0.0006408500000000, 0.0000977000000000 ] - [ 0.0005738400000000, 0.0006430800000000, -0.0005911100000000 ] - [ 0.0014209700000000, 0.0091918300000000, -0.0026439900000000 ] - [ 0.0002751300000000, -0.0001323200000000, 0.0001510500000000 ] - [ -0.0004515000000000, 0.0003985300000000, -0.0002489900000000 ] - [ -0.0008917600000000, 0.0003793100000000, 0.0017422100000000 ] - [ 0.0412728100000000, -0.0219310600000000, 0.0074122500000000 ] - [ 0.0000602100000000, 0.0002096300000000, 0.0001501800000000 ] - [ 0.0002151400000000, -0.0010931500000000, -0.0001825000000000 ] - [ -0.0004025500000000, -0.0007924800000000, 0.0039801700000000 ] - [ 0.0008180100000000, 0.0073066100000000, 0.0011691300000000 ] - [ -0.0000213100000000, 0.0000671300000000, 0.0000372000000000 ] - [ -0.0006947200000000, 0.0000143100000000, 0.0005094400000000 ] - [ -0.0006894600000000, 0.0003261800000000, -0.0019820200000000 ] - [ -0.0022639800000000, -0.0051346300000000, -0.0014459300000000 ] - [ -0.0003231000000000, -0.0002119600000000, 0.0002147700000000 ] - [ 0.0047742600000000, 0.0018774200000000, 0.0000809900000000 ] - [ -0.0000838000000000, 0.0002803000000000, 0.0001207300000000 ] - [ -0.0001159800000000, -0.0005108300000000, -0.0005087400000000 ] - [ -0.0001861300000000, -0.0001293100000000, 0.0008166700000000 ] - [ -0.0003404700000000, 0.0000751200000000, -0.0001755700000000 ] - [ -0.0007592400000000, -0.0008014400000000, 0.0005293000000000 ] - [ 0.0024633600000000, 0.0002271200000000, -0.0000687700000000 ] - [ -0.0000781700000000, -0.0002932400000000, -0.0000545600000000 ] - [ -0.0030315500000000, -0.0030884400000000, -0.0000985500000000 ] - [ -0.0001577000000000, -0.0002272700000000, 0.0001142000000000 ] - [ -0.0142679600000000, -0.0039214100000000, 0.0021510700000000 ] - [ -0.0002323800000000, 0.0002648600000000, -0.0000977600000000 ] - [ 0.0026224300000000, -0.0038505900000000, -0.0006398700000000 ] - [ 0.0003344300000000, 0.0000361800000000, -0.0000514500000000 ] - [ -0.0113558600000000, 0.1199220000000000, 0.0221562800000000 ] - [ -0.0001014700000000, 0.0003503900000000, -0.0001697000000000 ] - [ 0.0210658900000000, 0.0026598800000000, 0.0033030600000000 ] - [ 0.0002221600000000, 0.0000331300000000, 0.0001076400000000 ] - [ -0.0000650100000000, -0.0002134900000000, -0.0001217800000000 ] - [ -0.0000791700000000, -0.0005519500000000, -0.0005392800000000 ] - [ -0.0000271100000000, 0.0008973200000000, -0.0002150800000000 ] - [ -0.0008031600000000, 0.0008137600000000, -0.0014184400000000 ] - [ 0.0003561800000000, 0.0000930800000000, -0.0003019100000000 ] - [ 0.0019133000000000, -0.0003147400000000, 0.0020634200000000 ] - [ 0.0000008900000000, 0.0000926400000000, -0.0003021100000000 ] - [ 0.0002211600000000, -0.0000503600000000, 0.0000500000000000 ] - [ 0.0024313600000000, -0.0088516000000000, -0.0002941800000000 ] - [ -0.0005285100000000, 0.0003473500000000, -0.0003363300000000 ] - [ 0.0024293600000000, -0.0041516500000000, -0.0001175200000000 ] - [ 0.0006135300000000, 0.0002216100000000, -0.0002941800000000 ] - [ -0.0000243600000000, -0.0002933500000000, -0.0000280000000000 ] - [ 0.0010813700000000, -0.0005205700000000, -0.0021142800000000 ] - [ 0.0004156700000000, -0.0005015500000000, -0.0006197800000000 ] - [ 0.0001392000000000, -0.0006591100000000, 0.0005317700000000 ] - [ -0.0008645000000000, -0.0186788000000000, 0.0009663600000000 ] - [ 0.0003089500000000, -0.0000787800000000, -0.0001759200000000 ] - [ -0.0007710500000000, -0.0023008800000000, -0.0002616500000000 ] - [ -0.0000535800000000, -0.0006643600000000, -0.0003240600000000 ] - [ 0.0003146800000000, -0.0015219200000000, 0.0017638300000000 ] - [ 0.0000510800000000, 0.0001186100000000, -0.0001677100000000 ] - [ 0.0006841100000000, 0.0004761200000000, 0.0002694600000000 ] - [ 0.0001606400000000, -0.0000682800000000, -0.0003067800000000 ] - [ -0.0030094400000000, 0.0027173900000000, 0.0005115200000000 ] - [ -0.0002051100000000, -0.0002401500000000, -0.0001979100000000 ] - [ -0.0004940100000000, 0.0000356500000000, 0.0003038600000000 ] - [ -0.0001540400000000, 0.0000376100000000, 0.0001765200000000 ] - [ -0.0007047300000000, 0.0007458600000000, 0.0003897400000000 ] - [ -0.0003647700000000, 0.0002479700000000, -0.0004145900000000 ] - [ 0.0005945400000000, 0.0005502300000000, -0.0008396800000000 ] - [ 0.0008289000000000, 0.0006962600000000, -0.0007996100000000 ] - [ 0.0000711000000000, -0.0003347500000000, 0.0004072600000000 ] - [ 0.0002579100000000, -0.0007500400000000, 0.0004693300000000 ] - [ 0.0000523300000000, -0.0014881600000000, -0.0003799200000000 ] - [ 0.0000185900000000, -0.0001359100000000, 0.0006330000000000 ] - [ -0.0008342200000000, -0.0000220900000000, 0.0003675300000000 ] - [ -0.0003553000000000, -0.0008634100000000, -0.0011196500000000 ] - [ 0.0002316500000000, 0.0002334500000000, 0.0001922500000000 ] - [ 0.0005494300000000, 0.0004000300000000, -0.0002047400000000 ] - [ -0.0095020900000000, 0.0024636100000000, -0.0085911300000000 ] - [ -0.0002386200000000, 0.0000389900000000, -0.0001061500000000 ] - [ -0.0000164900000000, 0.0001959600000000, 0.0005598800000000 ] - [ -0.0037312300000000, 0.0002350200000000, -0.0066379700000000 ] - [ 0.0006667500000000, -0.0001665800000000, -0.0004001100000000 ] - [ 0.0003965100000000, 0.0002379800000000, 0.0004987700000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002180400000000, -0.0000186300000000, -0.0005611700000000 ] - [ 0.0001918200000000, -0.0001047600000000, 0.0007061300000000 ] - [ -0.0013361600000000, -0.0003130800000000, 0.0008444500000000 ] - [ 0.0000039000000000, -0.0000039700000000, -0.0004573600000000 ] - [ 0.0035889300000000, -0.0029444200000000, -0.0005771600000000 ] - [ 0.0000069900000000, 0.0000621800000000, -0.0008230000000000 ] - [ 0.0000887700000000, -0.0001195100000000, 0.0008711400000000 ] - [ -0.0000581300000000, -0.0000080800000000, -0.0007510100000000 ] - [ 0.0001252100000000, 0.0001204600000000, -0.0006343100000000 ] - [ 0.0010823700000000, -0.0010176000000000, 0.0006704400000000 ] - [ -0.0000014900000000, -0.0001832200000000, -0.0006436200000000 ] - [ -0.0012904300000000, -0.0004925700000000, 0.0007834200000000 ] - [ 0.0000952900000000, 0.0000013100000000, -0.0010248800000000 ] - [ -0.0003592700000000, 0.0034163700000000, -0.0005873500000000 ] - [ -0.0008820700000000, 0.0014718600000000, 0.0003623800000000 ] - [ 0.0000579800000000, -0.0000479300000000, -0.0007514900000000 ] - [ -0.0015609900000000, 0.0031699300000000, -0.0093797900000000 ] - [ 0.0013514700000000, 0.0007739800000000, -0.0022072200000000 ] - [ 0.0000163100000000, 0.0012174300000000, 0.0044924000000000 ] - [ -0.0002790100000000, -0.0001477100000000, -0.0016792600000000 ] - [ 0.0003538300000000, -0.0007066000000000, 0.0002702900000000 ] - [ 0.0000383700000000, 0.0003174200000000, -0.0012747700000000 ] - [ 0.0156724900000000, 0.0363223300000000, 0.0333394600000000 ] - [ 0.0000154100000000, 0.0000024600000000, -0.0021369700000000 ] - [ 0.0009455600000000, -0.0000037800000000, 0.0004792600000000 ] - [ -0.0015232900000000, 0.0003524800000000, -0.0013752500000000 ] - [ -0.0006207800000000, 0.0013694400000000, 0.0023898700000000 ] - [ -0.0000602000000000, 0.0001769200000000, -0.0017910000000000 ] - [ -0.0011020700000000, 0.0010916400000000, 0.0034716500000000 ] - [ 0.0002865300000000, -0.0000970700000000, -0.0015650200000000 ] - [ -0.0005601200000000, 0.0007641100000000, 0.0008291900000000 ] - [ 0.0002653400000000, -0.0014383900000000, -0.0014404800000000 ] - [ -0.0004976500000000, -0.0022240200000000, -0.0016789100000000 ] - [ 0.0003985300000000, 0.0007915800000000, -0.0000313900000000 ] - [ 0.0005212000000000, -0.0007472100000000, 0.0019915000000000 ] - [ 0.0000486500000000, -0.0001305800000000, -0.0019267100000000 ] - [ -0.0011911200000000, 0.0013278600000000, -0.0020775300000000 ] - [ 0.0001662000000000, -0.0000585400000000, -0.0002742700000000 ] - [ 0.0532739800000000, 0.0228178000000000, 0.0563165600000000 ] - [ 0.0001308200000000, 0.0002391800000000, -0.0021622900000000 ] - [ 0.0012405000000000, 0.0025747100000000, -0.0027335300000000 ] - [ 0.0002347100000000, 0.0003597300000000, -0.0104992000000000 ] - [ 0.0000923200000000, 0.0000821300000000, 0.0027622100000000 ] - [ 0.0000316600000000, -0.0000002500000000, -0.0016857500000000 ] - [ 0.0006423300000000, -0.0003666100000000, -0.0013705700000000 ] - [ -0.0004642800000000, 0.0002542600000000, -0.0009541200000000 ] - [ -0.0014477800000000, 0.0010179100000000, 0.0026498000000000 ] - [ -0.0001930300000000, -0.0000440700000000, -0.0019347900000000 ] - [ -0.0005135800000000, 0.0003385900000000, -0.0020887500000000 ] - [ -0.0001706100000000, 0.0000056500000000, 0.0010400100000000 ] - [ 0.0007086900000000, 0.0013707400000000, 0.0029780800000000 ] - [ -0.0006134600000000, -0.0009860400000000, 0.0007321500000000 ] - [ -0.0000540000000000, 0.0005606400000000, 0.0014914800000000 ] - [ 0.0000023700000000, 0.0003444800000000, -0.0008413600000000 ] - [ 0.0006855000000000, -0.0006838600000000, -0.0013915300000000 ] - [ 0.0002750900000000, -0.0002506900000000, 0.0009774900000000 ] - [ -0.0004558400000000, -0.0003302600000000, -0.0013662400000000 ] - [ 0.0001438800000000, -0.0001338000000000, 0.0010690500000000 ] - [ -0.0066756500000000, -0.0065952900000000, -0.0072614800000000 ] - [ -0.0003284900000000, -0.0001045500000000, 0.0011844200000000 ] - [ 0.0005816600000000, -0.0001818000000000, -0.0011591500000000 ] - [ 0.0001300400000000, 0.0003257600000000, 0.0009344700000000 ] - [ -0.0949663200000000, -0.0793846800000000, -0.0890302800000000 ] - [ 0.0000726300000000, 0.0004854600000000, 0.0008895200000000 ] - [ 0.0074859600000000, -0.0022137200000000, -0.0084405000000000 ] - [ 0.0000796400000000, 0.0001419900000000, 0.0010923100000000 ] - [ -0.0001637600000000, -0.0003298700000000, 0.0001397800000000 ] - [ -0.0005168400000000, 0.0002200100000000, 0.0001297700000000 ] - [ -0.0007072200000000, 0.0002748000000000, 0.0000900300000000 ] - [ 0.0024891500000000, 0.0004285800000000, 0.0024550300000000 ] - [ 0.0001216500000000, 0.0001241900000000, 0.0012754100000000 ] - [ 0.0017752500000000, -0.0010921900000000, -0.0002944500000000 ] - [ 0.0000970400000000, 0.0008140800000000, 0.0001282300000000 ] - [ 0.0004800300000000, 0.0001136400000000, 0.0001452100000000 ] - [ -0.0008447700000000, -0.0006946200000000, -0.0031355600000000 ] - [ -0.0004170800000000, 0.0005627600000000, 0.0005058100000000 ] - [ 0.0005511300000000, -0.0000970800000000, -0.0014880100000000 ] - [ 0.0006780300000000, 0.0000148400000000, 0.0005103100000000 ] - [ 0.0001126000000000, -0.0004979700000000, 0.0016334700000000 ] - [ -0.0014796900000000, 0.0000733400000000, -0.0012417500000000 ] - [ -0.0005378900000000, 0.0000606800000000, 0.0004647200000000 ] - [ 0.0001899700000000, -0.0008529500000000, 0.0004649100000000 ] - [ -0.0002932000000000, 0.0007863700000000, -0.0050635700000000 ] - [ 0.0004137000000000, -0.0003576900000000, 0.0008274000000000 ] - [ 0.0006276200000000, -0.0008538700000000, -0.0015705500000000 ] - [ -0.0003363500000000, -0.0005770900000000, 0.0005259900000000 ] - [ -0.0000953600000000, 0.0004735600000000, -0.0018613100000000 ] - [ 0.0000750900000000, 0.0005225100000000, 0.0016135000000000 ] - [ 0.0005288100000000, -0.0004122500000000, -0.0016714800000000 ] - [ 0.0004591300000000, -0.0003006300000000, 0.0015950700000000 ] - [ 0.0017084100000000, -0.0001158100000000, -0.0050579600000000 ] - [ -0.0005122200000000, -0.0001560900000000, 0.0008291900000000 ] - [ 0.0007550900000000, 0.0009169400000000, 0.0000762200000000 ] - [ 0.0000085700000000, 0.0004989200000000, 0.0004907700000000 ] - [ 0.0016118400000000, -0.0020070700000000, 0.0018145300000000 ] - [ -0.0007957000000000, -0.0000535600000000, 0.0004791500000000 ] - [ -0.0005348400000000, -0.0019488900000000, 0.0028717200000000 ] - [ -0.0003512200000000, -0.0014560100000000, 0.0023931200000000 ] - [ -0.0002416900000000, -0.0000549600000000, 0.0004674800000000 ] - [ -0.0001070100000000, 0.0000458700000000, 0.0003752800000000 ] - [ -0.0003146700000000, 0.0005593800000000, -0.0011937400000000 ] - [ -0.0000160400000000, -0.0000470500000000, 0.0021256700000000 ] - [ -0.0005457500000000, -0.0013381200000000, 0.0001243600000000 ] - [ -0.0018245600000000, 0.0016965800000000, 0.0024008600000000 ] - [ 0.0004399900000000, 0.0000652500000000, 0.0006064700000000 ] - [ 0.0003449000000000, 0.0001602200000000, 0.0002029400000000 ] - [ 0.0181893300000000, 0.0129767400000000, 0.0160401100000000 ] - [ -0.0005168800000000, -0.0001995300000000, 0.0018032800000000 ] - [ -0.0002278300000000, -0.0004487500000000, 0.0028326100000000 ] - [ 0.0056402400000000, 0.0113549100000000, 0.0161235600000000 ] - [ -0.0002406900000000, -0.0001021400000000, 0.0003493100000000 ] - [ 0.0006146400000000, -0.0003354700000000, 0.0006174200000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002167900000000, 0.0000190100000000, 0.0008332500000000 ] - [ -0.0001871200000000, 0.0001041100000000, -0.0004450500000000 ] - [ 0.0013363100000000, 0.0003179100000000, -0.0005649600000000 ] - [ -0.0000034200000000, 0.0000034400000000, 0.0007280300000000 ] - [ -0.0034348400000000, 0.0026652100000000, 0.0006879000000000 ] - [ 0.0001611900000000, -0.0003642900000000, 0.0008835200000000 ] - [ 0.0000869700000000, 0.0004181600000000, -0.0008043000000000 ] - [ 0.0002373600000000, 0.0003120700000000, 0.0008110700000000 ] - [ 0.0002108600000000, -0.0001282300000000, 0.0006947200000000 ] - [ -0.0007490100000000, 0.0010133100000000, -0.0006214000000000 ] - [ -0.0001757400000000, -0.0001208000000000, 0.0007043300000000 ] - [ 0.0011179900000000, 0.0001915100000000, -0.0007324300000000 ] - [ -0.0002637800000000, 0.0002986300000000, 0.0010839500000000 ] - [ 0.0001760700000000, -0.0030196300000000, 0.0004699600000000 ] - [ 0.0005385300000000, -0.0014638300000000, -0.0002913800000000 ] - [ -0.0003966300000000, 0.0000571800000000, 0.0008109700000000 ] - [ 0.0011147900000000, -0.0031899300000000, 0.0092989600000000 ] - [ -0.0017927700000000, -0.0008065600000000, 0.0021511800000000 ] - [ -0.0001903200000000, -0.0016378300000000, -0.0046073100000000 ] - [ 0.0000837700000000, -0.0002400500000000, 0.0016222500000000 ] - [ -0.0003576200000000, 0.0007044400000000, -0.0005414900000000 ] - [ -0.0000472500000000, -0.0003183400000000, 0.0009925600000000 ] - [ -0.0159207500000000, -0.0367672200000000, -0.0332920800000000 ] - [ -0.0000088800000000, -0.0000057700000000, 0.0018598000000000 ] - [ -0.0006981700000000, -0.0003538700000000, -0.0005276000000000 ] - [ 0.0017717300000000, -0.0007156100000000, 0.0013138200000000 ] - [ 0.0003816100000000, -0.0009637200000000, -0.0024571700000000 ] - [ -0.0001802500000000, 0.0001825100000000, 0.0017306200000000 ] - [ 0.0015406400000000, -0.0010792200000000, -0.0035498400000000 ] - [ 0.0001431300000000, 0.0001219200000000, 0.0015061100000000 ] - [ 0.0007514600000000, -0.0003729100000000, -0.0008787800000000 ] - [ -0.0000700300000000, 0.0018351100000000, 0.0013790200000000 ] - [ 0.0010737300000000, 0.0024321300000000, 0.0016665100000000 ] - [ 0.0001785300000000, -0.0005820900000000, -0.0000009900000000 ] - [ -0.0000449900000000, 0.0003316600000000, -0.0019830700000000 ] - [ 0.0004262100000000, -0.0002512400000000, 0.0019150700000000 ] - [ 0.0007159600000000, -0.0009431400000000, 0.0020709500000000 ] - [ -0.0006410000000000, 0.0004425400000000, 0.0002484200000000 ] - [ -0.0528539800000000, -0.0219874900000000, -0.0569100400000000 ] - [ -0.0000375200000000, 0.0003733500000000, 0.0021491400000000 ] - [ -0.0012302700000000, -0.0025590500000000, 0.0026850800000000 ] - [ -0.0002297900000000, -0.0003587400000000, 0.0104909400000000 ] - [ -0.0000955400000000, -0.0000881000000000, -0.0027894200000000 ] - [ -0.0000360900000000, 0.0000006100000000, 0.0016439500000000 ] - [ -0.0007322500000000, -0.0002489800000000, 0.0013598300000000 ] - [ 0.0003745700000000, -0.0008703100000000, 0.0009388300000000 ] - [ 0.0008667200000000, -0.0012135600000000, -0.0026494100000000 ] - [ -0.0003838400000000, -0.0001701300000000, 0.0019214100000000 ] - [ 0.0002851500000000, 0.0000550500000000, 0.0024579400000000 ] - [ -0.0000570400000000, 0.0003925600000000, -0.0006675900000000 ] - [ -0.0004773100000000, -0.0017609000000000, -0.0026001100000000 ] - [ 0.0008493800000000, 0.0005996100000000, -0.0003570900000000 ] - [ -0.0003797100000000, -0.0002065500000000, -0.0015650100000000 ] - [ -0.0004414900000000, -0.0000029700000000, 0.0007896000000000 ] - [ -0.0008254000000000, 0.0000748900000000, 0.0014552100000000 ] - [ -0.0004066700000000, -0.0003581400000000, -0.0009226600000000 ] - [ 0.0002265600000000, -0.0000683700000000, 0.0017275100000000 ] - [ -0.0003682300000000, -0.0002645000000000, -0.0007021800000000 ] - [ 0.0061672800000000, 0.0069472900000000, 0.0073420100000000 ] - [ -0.0001286700000000, 0.0005269600000000, -0.0011336500000000 ] - [ 0.0000086600000000, 0.0003786900000000, 0.0012172700000000 ] - [ 0.0004688000000000, -0.0001446400000000, -0.0008879100000000 ] - [ 0.0946419400000000, 0.0800379300000000, 0.0891818200000000 ] - [ -0.0002787300000000, 0.0001357800000000, -0.0011014800000000 ] - [ -0.0071155300000000, 0.0022175000000000, 0.0087544000000000 ] - [ 0.0003854600000000, -0.0001486600000000, -0.0007186600000000 ] - [ -0.0004743100000000, 0.0004634300000000, -0.0003571700000000 ] - [ -0.0001201900000000, -0.0000843200000000, -0.0003393500000000 ] - [ 0.0008292400000000, 0.0010061100000000, -0.0006300000000000 ] - [ -0.0023766200000000, 0.0008548100000000, -0.0030046900000000 ] - [ 0.0003979800000000, 0.0000789000000000, -0.0013497500000000 ] - [ -0.0012660800000000, 0.0012978500000000, 0.0002301700000000 ] - [ 0.0003433100000000, -0.0003250100000000, -0.0003412000000000 ] - [ -0.0000373700000000, 0.0003733700000000, -0.0003511900000000 ] - [ -0.0001935900000000, 0.0014402000000000, 0.0026026200000000 ] - [ -0.0006303100000000, 0.0001975900000000, -0.0010409300000000 ] - [ 0.0006206800000000, 0.0006363500000000, 0.0009554200000000 ] - [ 0.0005007200000000, 0.0005144500000000, -0.0010464500000000 ] - [ -0.0001946700000000, -0.0000477900000000, -0.0017083600000000 ] - [ 0.0014023500000000, -0.0006181200000000, 0.0011894500000000 ] - [ 0.0007431200000000, -0.0006784300000000, -0.0006779400000000 ] - [ 0.0000136400000000, 0.0002364400000000, -0.0006773400000000 ] - [ 0.0009346800000000, -0.0008537700000000, 0.0048575100000000 ] - [ 0.0002279200000000, 0.0002251400000000, -0.0010413200000000 ] - [ -0.0007503600000000, -0.0004329800000000, 0.0010315600000000 ] - [ 0.0002117800000000, -0.0007025800000000, -0.0010643200000000 ] - [ 0.0001785200000000, 0.0000749400000000, 0.0017778900000000 ] - [ 0.0000097600000000, 0.0000196200000000, -0.0016848500000000 ] - [ -0.0000950600000000, 0.0000603400000000, 0.0015848100000000 ] - [ -0.0000240800000000, -0.0000497700000000, -0.0016702600000000 ] - [ -0.0021247800000000, -0.0003755500000000, 0.0048632500000000 ] - [ 0.0000686000000000, -0.0003311300000000, -0.0010394100000000 ] - [ -0.0006193800000000, -0.0003054200000000, -0.0000230200000000 ] - [ 0.0001209800000000, 0.0001083000000000, -0.0004346100000000 ] - [ -0.0022027100000000, 0.0018156800000000, -0.0017623700000000 ] - [ 0.0002005400000000, -0.0001302900000000, -0.0004304100000000 ] - [ 0.0015820600000000, 0.0011882100000000, -0.0033943300000000 ] - [ 0.0014004100000000, 0.0007020000000000, -0.0029390600000000 ] - [ -0.0002208600000000, 0.0000573300000000, -0.0000986500000000 ] - [ -0.0003576000000000, -0.0000414600000000, 0.0000018600000000 ] - [ 0.0003174600000000, -0.0005496700000000, 0.0024582300000000 ] - [ 0.0000199200000000, 0.0000521900000000, -0.0008453400000000 ] - [ -0.0006354400000000, 0.0008018400000000, -0.0006613400000000 ] - [ 0.0006580900000000, -0.0022373300000000, -0.0029478600000000 ] - [ -0.0002112800000000, 0.0003327900000000, -0.0002390500000000 ] - [ -0.0001190200000000, 0.0002377500000000, 0.0001736300000000 ] - [ -0.0184519400000000, -0.0129316000000000, -0.0159052000000000 ] - [ -0.0000024900000000, -0.0000000800000000, -0.0018754300000000 ] - [ 0.0002225500000000, 0.0004411800000000, -0.0015543400000000 ] - [ -0.0057278600000000, -0.0115318000000000, -0.0150004400000000 ] - [ 0.0006936200000000, -0.0003208500000000, -0.0003000500000000 ] - [ -0.0001594200000000, -0.0000846200000000, -0.0005652400000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0007709500000000, 0.0014238600000000, 0.0008619600000000 ] - [ -0.0001765900000000, 0.0002527500000000, -0.0001395200000000 ] - [ -0.0013435500000000, 0.0015401400000000, -0.0000824000000000 ] - [ -0.0000732500000000, 0.0001243000000000, 0.0000150000000000 ] - [ 0.0019729900000000, -0.0010752500000000, 0.0009907500000000 ] - [ 0.0002454000000000, -0.0003211100000000, -0.0002867800000000 ] - [ 0.0027774500000000, -0.0029568900000000, -0.0019205300000000 ] - [ 0.0002566800000000, 0.0001916800000000, -0.0002088300000000 ] - [ -0.0021952600000000, 0.0011886600000000, -0.0015442000000000 ] - [ 0.0000160500000000, -0.0000072000000000, -0.0000460600000000 ] - [ 0.0028524900000000, -0.0021069700000000, 0.0044660500000000 ] - [ 0.0000587500000000, -0.0003755400000000, -0.0004939800000000 ] - [ 0.0001882300000000, -0.0021883300000000, -0.0011133600000000 ] - [ 0.0000438600000000, 0.0000746600000000, -0.0000851200000000 ] - [ -0.0026256200000000, -0.0000396200000000, 0.0016289500000000 ] - [ -0.0004456700000000, 0.0000090900000000, -0.0002858400000000 ] - [ -0.0109348900000000, -0.0041159400000000, 0.0037280400000000 ] - [ -0.0003269100000000, 0.0001169500000000, -0.0007038100000000 ] - [ -0.0024146000000000, -0.0004213400000000, -0.0007077200000000 ] - [ -0.0014223100000000, -0.0003375100000000, 0.0015239200000000 ] - [ -0.0032608200000000, -0.0019896200000000, -0.0003730900000000 ] - [ 0.0000121000000000, -0.0000507500000000, -0.0005091400000000 ] - [ 0.0020545600000000, -0.0001092700000000, 0.0001890100000000 ] - [ 0.0017826000000000, 0.0001485800000000, -0.0095735700000000 ] - [ 0.1032086400000000, -0.0615100300000000, 0.0275850100000000 ] - [ 0.0002699800000000, -0.0001906500000000, -0.0005625600000000 ] - [ 0.0005277700000000, -0.0005087500000000, -0.0001817300000000 ] - [ 0.0003585900000000, -0.0001599300000000, 0.0001622100000000 ] - [ 0.0001842400000000, 0.0014533400000000, -0.0010845300000000 ] - [ 0.0001676700000000, 0.0004029200000000, 0.0005896200000000 ] - [ 0.0009533100000000, 0.0150141100000000, 0.0037529500000000 ] - [ 0.0001552600000000, 0.0002330400000000, -0.0007276900000000 ] - [ 0.0062461400000000, -0.0048886100000000, 0.0009160200000000 ] - [ 0.0003738700000000, -0.0000158800000000, -0.0005141500000000 ] - [ 0.0010286600000000, 0.0004881200000000, 0.0025413900000000 ] - [ 0.0002776400000000, 0.0019308100000000, -0.0009364900000000 ] - [ -0.0168045100000000, -0.0037749400000000, -0.0006406300000000 ] - [ -0.0004473600000000, 0.0001628900000000, -0.0007809900000000 ] - [ -0.0008576400000000, 0.0010309000000000, 0.0021091800000000 ] - [ -0.0020561600000000, -0.0004416200000000, -0.0009604300000000 ] - [ 0.2262658500000000, 0.0239815100000000, 0.0662279700000000 ] - [ 0.0001452100000000, -0.0000104400000000, -0.0006227600000000 ] - [ -0.0004865100000000, -0.0006117400000000, -0.0007582000000000 ] - [ -0.0002323500000000, -0.0003407400000000, -0.0000795400000000 ] - [ 0.0016526700000000, 0.0062460500000000, 0.0051544300000000 ] - [ -0.0001342700000000, -0.0000817500000000, -0.0007292200000000 ] - [ 0.0045049100000000, 0.0022236800000000, -0.0104013800000000 ] - [ 0.0020665300000000, -0.0006211000000000, 0.0005363900000000 ] - [ -0.0013971300000000, -0.0024062700000000, 0.0022212900000000 ] - [ -0.0005674900000000, 0.0001949000000000, 0.0000921500000000 ] - [ 0.0016424100000000, 0.0036829500000000, 0.0005809500000000 ] - [ 0.0001503100000000, -0.0001114700000000, 0.0004379200000000 ] - [ -0.0017258500000000, 0.0006168900000000, -0.0004396300000000 ] - [ -0.0003295000000000, 0.0003187700000000, 0.0002915900000000 ] - [ 0.0012643100000000, -0.0002795900000000, 0.0032954100000000 ] - [ -0.0003522300000000, -0.0004608700000000, -0.0015458100000000 ] - [ -0.0009447100000000, -0.0002523000000000, -0.0002231900000000 ] - [ -0.0004652600000000, -0.0006051500000000, 0.0003244900000000 ] - [ -0.0001013500000000, 0.0004184800000000, -0.0004471500000000 ] - [ 0.0002904100000000, 0.0006270300000000, 0.0000961100000000 ] - [ 0.0006871100000000, -0.0007377300000000, -0.0004908900000000 ] - [ 0.0005967700000000, -0.0007812000000000, -0.0000202100000000 ] - [ -0.0004810700000000, 0.0001968900000000, -0.0008739300000000 ] - [ 0.0010865400000000, 0.0019973400000000, 0.0023284600000000 ] - [ 0.0015735400000000, -0.0005113500000000, -0.0002624000000000 ] - [ 0.0011604700000000, -0.0002211200000000, 0.0000688400000000 ] - [ 0.0044365900000000, 0.0018268700000000, 0.0001925600000000 ] - [ -0.0002689100000000, 0.0001782400000000, 0.0001549500000000 ] - [ -0.4190345200000000, 0.0482567000000000, -0.1276288700000000 ] - [ -0.0000408800000000, 0.0006647400000000, -0.0000093300000000 ] - [ -0.0006998200000000, -0.0008341300000000, -0.0017788200000000 ] - [ 0.0002198500000000, -0.0001669000000000, 0.0007705200000000 ] - [ 0.0008922200000000, 0.0074221200000000, -0.0011887700000000 ] - [ 0.0001890200000000, 0.0002968200000000, 0.0001076000000000 ] - [ -0.0006078800000000, 0.0004131200000000, -0.0000032600000000 ] - [ -0.0005893600000000, 0.0006249400000000, -0.0003247200000000 ] - [ 0.0012409000000000, 0.0004328000000000, -0.0000592000000000 ] - [ 0.0010067900000000, 0.0005154100000000, -0.0004904100000000 ] - [ 0.0045168000000000, 0.0003858100000000, -0.0023544100000000 ] - [ 0.0003302200000000, -0.0002552300000000, 0.0005514900000000 ] - [ -0.0005933600000000, 0.0001119900000000, -0.0007954000000000 ] - [ 0.0000112700000000, -0.0003708100000000, 0.0001691000000000 ] - [ -0.0000137200000000, -0.0000310300000000, -0.0010563300000000 ] - [ 0.0009544100000000, -0.0020517100000000, 0.0022177300000000 ] - [ -0.0002868700000000, -0.0000005200000000, 0.0001946000000000 ] - [ -0.0002859000000000, -0.0003061500000000, -0.0005227300000000 ] - [ 0.0003355400000000, -0.0021908300000000, -0.0031539900000000 ] - [ 0.0001494300000000, -0.0001527800000000, 0.0007979700000000 ] - [ 0.0072077200000000, -0.0056589500000000, 0.0177260600000000 ] - [ -0.0002098500000000, -0.0000616300000000, 0.0002004400000000 ] - [ -0.0030947400000000, 0.0004510500000000, 0.0017878600000000 ] - [ -0.0028000100000000, -0.0000052000000000, 0.0012671600000000 ] - [ -0.0030287500000000, -0.0016193700000000, -0.0002733600000000 ] - [ -0.0000772300000000, 0.0002781500000000, 0.0003478500000000 ] - [ 0.0076807900000000, -0.0014759900000000, 0.0014941100000000 ] - [ -0.0000961700000000, -0.0002543900000000, 0.0003999600000000 ] - [ 0.0235148600000000, 0.0187948000000000, -0.0005839500000000 ] - [ 0.0004452300000000, -0.0004646700000000, 0.0000551800000000 ] - [ 0.0019695600000000, -0.0057933100000000, 0.0000090800000000 ] - [ -0.0000951900000000, -0.0001723900000000, 0.0004964900000000 ] - [ 0.0008272100000000, 0.0007468300000000, 0.0011570900000000 ] - [ 0.0000365600000000, 0.0000609200000000, 0.0008612600000000 ] - [ 0.0263197800000000, -0.0172701100000000, 0.0003855800000000 ] - [ -0.0006333000000000, -0.0001607800000000, 0.0000624600000000 ] - [ 0.0273642800000000, -0.0031157300000000, -0.0050606000000000 ] - [ 0.0001327600000000, 0.0001896300000000, 0.0006559700000000 ] - [ 0.0013001200000000, 0.0008297400000000, -0.0027733100000000 ] - [ 0.0000874600000000, 0.0001253400000000, 0.0007869300000000 ] - [ 0.0068504000000000, 0.0022072000000000, 0.0235111200000000 ] - [ -0.0003848400000000, 0.0000208500000000, 0.0011217800000000 ] - [ -0.0011413200000000, -0.0129066400000000, -0.0011237700000000 ] - [ 0.0002367200000000, -0.0001875700000000, 0.0003396600000000 ]- atom: 69 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0007672000000000, -0.0014307000000000, -0.0005921600000000 ] - [ 0.0001762500000000, -0.0002528200000000, 0.0004094300000000 ] - [ 0.0013386700000000, -0.0015421900000000, 0.0003527600000000 ] - [ 0.0000733300000000, -0.0001250500000000, 0.0002555600000000 ] - [ -0.0017923000000000, 0.0007916500000000, -0.0009355600000000 ] - [ -0.0000783200000000, 0.0000254300000000, 0.0003463100000000 ] - [ -0.0026321400000000, 0.0032385900000000, 0.0019626900000000 ] - [ -0.0000812200000000, 0.0001079900000000, 0.0002685700000000 ] - [ 0.0025270300000000, -0.0011910900000000, 0.0015906000000000 ] - [ 0.0003133800000000, 0.0000008800000000, 0.0001051700000000 ] - [ -0.0030789200000000, 0.0017873000000000, -0.0043565000000000 ] - [ -0.0002350400000000, 0.0000745400000000, 0.0005521700000000 ] - [ -0.0003508600000000, 0.0024806600000000, 0.0011687800000000 ] - [ -0.0002099500000000, 0.0002174400000000, 0.0001445600000000 ] - [ 0.0022877300000000, 0.0000469200000000, -0.0015562000000000 ] - [ 0.0001118500000000, -0.0000011100000000, 0.0003440500000000 ] - [ 0.0104887500000000, 0.0040730500000000, -0.0037815200000000 ] - [ -0.0001035100000000, -0.0001444900000000, 0.0006421100000000 ] - [ 0.0022160100000000, 0.0000310300000000, 0.0006498300000000 ] - [ 0.0012228000000000, -0.0000503100000000, -0.0015984800000000 ] - [ 0.0032439700000000, 0.0020155400000000, 0.0000959200000000 ] - [ -0.0000196700000000, 0.0000536600000000, 0.0002277100000000 ] - [ -0.0020388100000000, 0.0001062500000000, -0.0004761900000000 ] - [ -0.0017769700000000, -0.0001501100000000, 0.0093132000000000 ] - [ -0.1077277500000000, 0.0654154900000000, -0.0295813300000000 ] - [ -0.0000303200000000, -0.0001708400000000, 0.0005016800000000 ] - [ -0.0007669900000000, 0.0008676700000000, 0.0001183300000000 ] - [ -0.0006013300000000, 0.0005167900000000, -0.0002173500000000 ] - [ 0.0002491800000000, -0.0014229100000000, 0.0010205400000000 ] - [ 0.0002611600000000, -0.0003738700000000, -0.0006421500000000 ] - [ -0.0007170900000000, -0.0145452000000000, -0.0037915800000000 ] - [ 0.0000396100000000, 0.0001560800000000, 0.0006665400000000 ] - [ -0.0056867200000000, 0.0050599000000000, -0.0009250300000000 ] - [ 0.0002056300000000, 0.0002306300000000, 0.0004978200000000 ] - [ -0.0005464700000000, -0.0008734700000000, -0.0025434400000000 ] - [ 0.0001988800000000, -0.0023131400000000, 0.0009223700000000 ] - [ 0.0163522300000000, 0.0041691400000000, 0.0006283300000000 ] - [ -0.0000272400000000, 0.0002199900000000, 0.0007659000000000 ] - [ 0.0009555000000000, -0.0004180300000000, -0.0021107100000000 ] - [ 0.0021537300000000, 0.0010517500000000, 0.0009441300000000 ] - [ -0.2128395700000000, -0.0220188800000000, -0.0608282100000000 ] - [ -0.0001395700000000, 0.0000102400000000, 0.0005770600000000 ] - [ 0.0004769300000000, 0.0006131700000000, 0.0007196900000000 ] - [ 0.0002242900000000, 0.0003459700000000, 0.0000364800000000 ] - [ -0.0017248400000000, -0.0067951100000000, -0.0051261700000000 ] - [ 0.0000399200000000, -0.0005295000000000, 0.0007140400000000 ] - [ -0.0051002700000000, -0.0024297900000000, 0.0103669900000000 ] - [ -0.0026505400000000, 0.0004072900000000, -0.0005511800000000 ] - [ 0.0011736800000000, 0.0028019300000000, -0.0018445400000000 ] - [ 0.0003407400000000, 0.0002019000000000, 0.0002797500000000 ] - [ -0.0013999900000000, -0.0040552800000000, -0.0002050300000000 ] - [ 0.0000790900000000, -0.0002805500000000, -0.0000662700000000 ] - [ 0.0012918900000000, -0.0002492700000000, 0.0003587700000000 ] - [ -0.0001100300000000, 0.0000304900000000, -0.0003643300000000 ] - [ -0.0013907400000000, -0.0003287500000000, -0.0032409500000000 ] - [ 0.0002295400000000, -0.0001467500000000, 0.0016079800000000 ] - [ 0.0007139200000000, -0.0001416300000000, 0.0005942300000000 ] - [ 0.0002431300000000, 0.0002083500000000, 0.0000414300000000 ] - [ -0.0003569000000000, 0.0000019300000000, 0.0005005500000000 ] - [ -0.0007484500000000, -0.0002029700000000, -0.0000428900000000 ] - [ -0.0000911100000000, 0.0009204100000000, 0.0005424400000000 ] - [ 0.0000021500000000, 0.0009615400000000, 0.0000686500000000 ] - [ 0.0002751100000000, 0.0004220100000000, 0.0006613700000000 ] - [ -0.0012911700000000, -0.0013751200000000, -0.0025393900000000 ] - [ -0.0011124100000000, 0.0005109300000000, 0.0006317000000000 ] - [ -0.0006989200000000, 0.0002187100000000, 0.0003091300000000 ] - [ -0.0050683700000000, -0.0017074600000000, -0.0004088600000000 ] - [ -0.0003685300000000, -0.0000420600000000, -0.0003678700000000 ] - [ 0.4100898500000000, -0.0533354400000000, 0.1233840400000000 ] - [ 0.0001676700000000, 0.0006183200000000, -0.0005261800000000 ] - [ 0.0012200300000000, 0.0010264900000000, 0.0016910900000000 ] - [ 0.0003008300000000, 0.0003660100000000, -0.0008397800000000 ] - [ -0.0004285100000000, -0.0069589300000000, 0.0009852100000000 ] - [ 0.0002540200000000, 0.0001884800000000, -0.0003172800000000 ] - [ -0.0004378100000000, 0.0003403400000000, -0.0005313200000000 ] - [ -0.0004589200000000, 0.0001342400000000, -0.0002101100000000 ] - [ -0.0000620100000000, 0.0000958100000000, -0.0004764900000000 ] - [ 0.0001747400000000, 0.0000093900000000, -0.0000396100000000 ] - [ -0.0046130000000000, -0.0009340000000000, 0.0023033100000000 ] - [ -0.0004124700000000, -0.0002895100000000, -0.0006234600000000 ] - [ 0.0007880300000000, -0.0007445900000000, 0.0005819800000000 ] - [ 0.0001905600000000, -0.0002498300000000, -0.0003803700000000 ] - [ 0.0006441000000000, -0.0001055600000000, 0.0008415600000000 ] - [ -0.0003148000000000, 0.0019188400000000, -0.0024319500000000 ] - [ 0.0001620700000000, -0.0012817700000000, -0.0007293200000000 ] - [ 0.0001632500000000, -0.0009743300000000, -0.0000152500000000 ] - [ -0.0002551100000000, 0.0027207900000000, 0.0030669600000000 ] - [ -0.0000659700000000, 0.0006968700000000, -0.0008697200000000 ] - [ -0.0067738600000000, 0.0053597200000000, -0.0179124000000000 ] - [ 0.0006490500000000, -0.0002879200000000, -0.0002754900000000 ] - [ 0.0026566700000000, -0.0009453000000000, -0.0019876700000000 ] - [ 0.0023546500000000, -0.0004815300000000, -0.0014787100000000 ] - [ 0.0031401900000000, 0.0022494000000000, 0.0003277800000000 ] - [ 0.0002073300000000, 0.0003305100000000, -0.0002939200000000 ] - [ -0.0082873700000000, 0.0012990800000000, -0.0014501800000000 ] - [ -0.0005026000000000, 0.0000714600000000, -0.0003524700000000 ] - [ -0.0222764600000000, -0.0192949600000000, 0.0000881300000000 ] - [ 0.0006003800000000, -0.0002935200000000, -0.0005881200000000 ] - [ -0.0024206100000000, 0.0057464000000000, 0.0003606200000000 ] - [ -0.0003663300000000, 0.0001751600000000, -0.0001217100000000 ] - [ -0.0008198800000000, -0.0007453000000000, 0.0001119900000000 ] - [ -0.0000323500000000, -0.0000571200000000, 0.0004172800000000 ] - [ -0.0270060100000000, 0.0164723000000000, -0.0008931600000000 ] - [ -0.0005427400000000, -0.0003689500000000, -0.0005964400000000 ] - [ -0.0274028800000000, 0.0036195700000000, 0.0055146500000000 ] - [ 0.0000945000000000, 0.0002082700000000, -0.0002843200000000 ] - [ -0.0018186400000000, -0.0010239600000000, 0.0026875300000000 ] - [ -0.0006088800000000, -0.0003269000000000, -0.0008585800000000 ] - [ -0.0068986600000000, -0.0021730500000000, -0.0221221300000000 ] - [ 0.0003794000000000, -0.0000253800000000, 0.0001573600000000 ] - [ 0.0016670300000000, 0.0123981200000000, 0.0011612600000000 ] - [ 0.0002213000000000, -0.0002325000000000, -0.0002859800000000 ]- atom: 69 displacement: [ -0.0050000000025514, 0.0086602540363713, 0.0000000000000000 ] forces: - [ 0.0011248100000000, -0.0012894300000000, -0.0005215100000000 ] - [ 0.0001302800000000, -0.0002269000000000, 0.0003238600000000 ] - [ 0.0015116800000000, -0.0015329900000000, 0.0005081000000000 ] - [ 0.0000968000000000, -0.0001061600000000, 0.0002089500000000 ] - [ -0.0016886100000000, -0.0009605000000000, 0.0009953700000000 ] - [ -0.0000519300000000, -0.0000554900000000, 0.0001682900000000 ] - [ -0.0028912200000000, 0.0012126500000000, -0.0021978600000000 ] - [ -0.0000073100000000, 0.0001752100000000, 0.0002486000000000 ] - [ 0.0018315400000000, -0.0008612000000000, 0.0015009300000000 ] - [ 0.0002864400000000, 0.0000129700000000, 0.0000162700000000 ] - [ -0.0027700700000000, 0.0029821900000000, -0.0008009600000000 ] - [ -0.0001981000000000, 0.0000598600000000, 0.0003228500000000 ] - [ -0.0008604300000000, 0.0007606800000000, -0.0002569500000000 ] - [ -0.0001704900000000, 0.0001562300000000, 0.0001592700000000 ] - [ 0.0016853800000000, 0.0004540100000000, -0.0012762300000000 ] - [ -0.0000138900000000, 0.0000037600000000, 0.0002133000000000 ] - [ 0.0011733500000000, -0.0006826500000000, -0.0009931600000000 ] - [ -0.0001522600000000, -0.0001229000000000, 0.0003949900000000 ] - [ 0.0014206300000000, 0.0002572500000000, 0.0005272400000000 ] - [ 0.0006240000000000, 0.0000140400000000, -0.0010676800000000 ] - [ -0.0019625500000000, -0.0004082000000000, -0.0006072700000000 ] - [ -0.0000506900000000, 0.0000233200000000, 0.0001122000000000 ] - [ -0.0011907100000000, 0.0007707900000000, -0.0004052900000000 ] - [ -0.0007514800000000, -0.0000856300000000, 0.0048090500000000 ] - [ -0.1102395900000000, 0.0887046000000000, -0.0330131700000000 ] - [ 0.0000193500000000, -0.0001370600000000, 0.0002818400000000 ] - [ -0.0008320500000000, 0.0001021300000000, -0.0004206800000000 ] - [ -0.0007271900000000, -0.0002485200000000, 0.0016568300000000 ] - [ 0.0002947200000000, -0.0014847000000000, 0.0010112000000000 ] - [ 0.0004219200000000, -0.0008169000000000, -0.0019100800000000 ] - [ 0.0040192100000000, -0.0136013700000000, -0.0025522600000000 ] - [ 0.0001169300000000, 0.0001763300000000, 0.0003764000000000 ] - [ -0.0042330900000000, -0.0044427600000000, 0.0016764800000000 ] - [ 0.0001992700000000, 0.0001146600000000, 0.0002130600000000 ] - [ 0.0003595500000000, -0.0007516300000000, -0.0025424000000000 ] - [ 0.0007979300000000, -0.0013702800000000, 0.0005264100000000 ] - [ 0.0100389200000000, 0.0042392400000000, -0.0000173300000000 ] - [ -0.0000985600000000, 0.0002371700000000, 0.0005079300000000 ] - [ 0.0002946200000000, -0.0000362500000000, -0.0002953900000000 ] - [ 0.0010706900000000, 0.0004391300000000, 0.0006041700000000 ] - [ -0.0892100100000000, 0.0234703400000000, -0.0236418700000000 ] - [ -0.0000832900000000, 0.0000308000000000, 0.0003332600000000 ] - [ -0.0000624900000000, 0.0001169300000000, -0.0001084600000000 ] - [ -0.0005775500000000, -0.0001793700000000, 0.0001376300000000 ] - [ -0.0026250200000000, -0.0121255900000000, -0.0080114700000000 ] - [ 0.0000180300000000, -0.0005193600000000, 0.0004816500000000 ] - [ -0.0034263100000000, -0.0007830700000000, 0.0075107900000000 ] - [ -0.0016567800000000, 0.0006991700000000, -0.0003913900000000 ] - [ 0.0004437900000000, 0.0016822000000000, -0.0018328000000000 ] - [ 0.0000635600000000, -0.0000230900000000, 0.0005859100000000 ] - [ 0.0008345500000000, 0.0014694900000000, 0.0002604500000000 ] - [ 0.0001102200000000, -0.0001949000000000, 0.0000321600000000 ] - [ 0.0007204100000000, 0.0018746300000000, -0.0019264500000000 ] - [ -0.0001152400000000, 0.0001444200000000, -0.0000543100000000 ] - [ -0.0009603000000000, -0.0004427600000000, -0.0022510000000000 ] - [ 0.0000869400000000, -0.0004630100000000, 0.0009726000000000 ] - [ 0.0002199900000000, 0.0002312700000000, 0.0011500700000000 ] - [ -0.0003027000000000, 0.0000180700000000, -0.0002845700000000 ] - [ -0.0001388000000000, 0.0004564000000000, 0.0000458900000000 ] - [ -0.0003210200000000, 0.0005669400000000, -0.0003117300000000 ] - [ -0.0002478100000000, 0.0009439600000000, 0.0005865900000000 ] - [ -0.0003206900000000, 0.0009795600000000, 0.0003386000000000 ] - [ 0.0001955400000000, 0.0001734200000000, -0.0000363300000000 ] - [ -0.0006706500000000, -0.0006949400000000, -0.0015143900000000 ] - [ -0.0004925300000000, 0.0000784900000000, 0.0002491100000000 ] - [ -0.0003096200000000, 0.0002111300000000, 0.0002700500000000 ] - [ -0.0032353200000000, -0.0016149300000000, -0.0004423500000000 ] - [ -0.0003446500000000, -0.0000284900000000, -0.0002796400000000 ] - [ 0.2542482800000000, -0.1213165200000000, 0.0784013500000000 ] - [ 0.0001341100000000, 0.0006049500000000, -0.0004226900000000 ] - [ 0.0007518500000000, 0.0020671900000000, 0.0031581100000000 ] - [ 0.0002845300000000, 0.0003505500000000, -0.0006547600000000 ] - [ 0.0046382600000000, 0.0011266000000000, 0.0002216300000000 ] - [ 0.0002729100000000, 0.0002075700000000, -0.0002124100000000 ] - [ -0.0003249300000000, 0.0007561100000000, -0.0004218500000000 ] - [ -0.0000788500000000, 0.0006686600000000, 0.0001384100000000 ] - [ 0.0002091900000000, -0.0000275500000000, -0.0002608300000000 ] - [ 0.0004761800000000, 0.0001025700000000, -0.0001476900000000 ] - [ -0.0028105100000000, -0.0009538800000000, 0.0015313900000000 ] - [ -0.0002873200000000, -0.0003384400000000, -0.0004540800000000 ] - [ 0.0025470500000000, 0.0023377100000000, 0.0004229100000000 ] - [ 0.0001858200000000, -0.0002331600000000, -0.0002983800000000 ] - [ 0.0004044400000000, -0.0003623600000000, 0.0007966300000000 ] - [ -0.0000841800000000, 0.0008401600000000, -0.0011984600000000 ] - [ 0.0003393600000000, -0.0009304600000000, -0.0002413400000000 ] - [ 0.0006063900000000, -0.0007742600000000, -0.0006788100000000 ] - [ -0.0008718500000000, 0.0026184000000000, 0.0025950600000000 ] - [ -0.0001110200000000, 0.0005036500000000, -0.0004708500000000 ] - [ -0.0048807100000000, -0.0002822900000000, -0.0117044700000000 ] - [ 0.0004658500000000, -0.0003290800000000, -0.0001509500000000 ] - [ 0.0018457500000000, -0.0013616700000000, -0.0011646800000000 ] - [ 0.0011927600000000, -0.0007061100000000, -0.0009875100000000 ] - [ 0.0005089400000000, 0.0061062300000000, 0.0000288200000000 ] - [ 0.0001264600000000, 0.0003293600000000, -0.0001661700000000 ] - [ -0.0036949800000000, 0.0000148700000000, -0.0007491900000000 ] - [ -0.0004328300000000, 0.0000172300000000, -0.0002184600000000 ] - [ 0.0064199900000000, -0.0053815900000000, 0.0002498100000000 ] - [ 0.0005776500000000, -0.0003307300000000, -0.0004633900000000 ] - [ -0.0035680800000000, 0.0071643900000000, 0.0005657900000000 ] - [ -0.0003464700000000, 0.0001494900000000, 0.0000083000000000 ] - [ 0.0002254800000000, -0.0000549500000000, 0.0009465700000000 ] - [ 0.0001190900000000, 0.0000370200000000, 0.0004435900000000 ] - [ -0.0292690800000000, 0.0094706200000000, -0.0013197900000000 ] - [ -0.0005626300000000, -0.0003421800000000, -0.0004590400000000 ] - [ -0.0172280500000000, -0.0012938000000000, 0.0037507300000000 ] - [ 0.0000999300000000, 0.0001894600000000, -0.0001205200000000 ] - [ -0.0003272500000000, 0.0001619100000000, 0.0004554300000000 ] - [ -0.0004297700000000, -0.0001764300000000, -0.0005828000000000 ] - [ -0.0035289100000000, -0.0080347300000000, -0.0114136900000000 ] - [ 0.0002215000000000, -0.0001182800000000, 0.0003543200000000 ] - [ -0.0045024000000000, 0.0199906300000000, 0.0006938200000000 ] - [ 0.0002179600000000, -0.0002192200000000, -0.0001532200000000 ]- atom: 69 displacement: [ 0.0050000000025514, -0.0086602540363713, 0.0000000000000000 ] forces: - [ -0.0011157200000000, 0.0012859100000000, 0.0007837300000000 ] - [ -0.0001291200000000, 0.0002265800000000, -0.0000516600000000 ] - [ -0.0014991900000000, 0.0015331200000000, -0.0002309600000000 ] - [ -0.0000956400000000, 0.0001054000000000, 0.0000626300000000 ] - [ 0.0018352300000000, 0.0006738700000000, -0.0009354100000000 ] - [ 0.0002168600000000, -0.0002375100000000, -0.0001066100000000 ] - [ 0.0030539000000000, -0.0009335900000000, 0.0022386000000000 ] - [ 0.0001828100000000, 0.0001244900000000, -0.0001866900000000 ] - [ -0.0014920000000000, 0.0008443400000000, -0.0014492800000000 ] - [ 0.0000440000000000, -0.0000197100000000, 0.0000441700000000 ] - [ 0.0025701400000000, -0.0032783900000000, 0.0008595000000000 ] - [ 0.0000233500000000, -0.0003593500000000, -0.0002614900000000 ] - [ 0.0006882700000000, -0.0004510300000000, 0.0003249200000000 ] - [ 0.0000025700000000, 0.0001392400000000, -0.0000986600000000 ] - [ -0.0020147700000000, -0.0004524600000000, 0.0013379900000000 ] - [ -0.0003144400000000, 0.0000022900000000, -0.0001521600000000 ] - [ -0.0015268800000000, 0.0006844200000000, 0.0009001000000000 ] - [ -0.0002776700000000, 0.0000949000000000, -0.0004513100000000 ] - [ -0.0016102700000000, -0.0006488200000000, -0.0005842600000000 ] - [ -0.0008144600000000, -0.0004026100000000, 0.0009996700000000 ] - [ 0.0019407100000000, 0.0004156900000000, 0.0003300000000000 ] - [ 0.0000431000000000, -0.0000209200000000, -0.0003899800000000 ] - [ 0.0011932400000000, -0.0007781500000000, 0.0001230800000000 ] - [ 0.0007452300000000, 0.0000850200000000, -0.0050066500000000 ] - [ 0.1037436300000000, -0.0851060800000000, 0.0306094800000000 ] - [ 0.0002201900000000, -0.0002236600000000, -0.0003385300000000 ] - [ 0.0005962300000000, 0.0002630700000000, 0.0003621500000000 ] - [ 0.0004863400000000, 0.0006084200000000, -0.0017208400000000 ] - [ 0.0001347600000000, 0.0015068100000000, -0.0010639200000000 ] - [ 0.0000072000000000, 0.0008398700000000, 0.0018331300000000 ] - [ -0.0038227100000000, 0.0139846900000000, 0.0024956200000000 ] - [ 0.0000780000000000, 0.0002118300000000, -0.0004327200000000 ] - [ 0.0048429700000000, 0.0046835200000000, -0.0017069500000000 ] - [ 0.0003805100000000, 0.0001012000000000, -0.0002244400000000 ] - [ 0.0001167500000000, 0.0003618800000000, 0.0025424000000000 ] - [ -0.0003200700000000, 0.0009677100000000, -0.0005380500000000 ] - [ -0.0104621600000000, -0.0038637400000000, 0.0000043400000000 ] - [ -0.0003749500000000, 0.0001451700000000, -0.0005184000000000 ] - [ -0.0001942700000000, 0.0006437700000000, 0.0002696200000000 ] - [ -0.0009619000000000, 0.0001796200000000, -0.0006123300000000 ] - [ 0.0902341100000000, -0.0225434700000000, 0.0241164500000000 ] - [ 0.0000883800000000, -0.0000313500000000, -0.0003739100000000 ] - [ 0.0000543800000000, -0.0001162200000000, 0.0000680800000000 ] - [ 0.0005699900000000, 0.0001791000000000, -0.0001796700000000 ] - [ 0.0024839000000000, 0.0114482000000000, 0.0079309800000000 ] - [ -0.0001119800000000, -0.0000932300000000, -0.0004904800000000 ] - [ 0.0028434900000000, 0.0005745600000000, -0.0075117800000000 ] - [ 0.0010637600000000, -0.0009029000000000, 0.0003775200000000 ] - [ -0.0006678100000000, -0.0012825600000000, 0.0021955500000000 ] - [ -0.0002880200000000, 0.0004176000000000, -0.0002093500000000 ] - [ -0.0006294900000000, -0.0018928300000000, 0.0001091500000000 ] - [ 0.0001174600000000, -0.0002023100000000, 0.0003380400000000 ] - [ -0.0011591800000000, -0.0015235500000000, 0.0018671100000000 ] - [ -0.0003225700000000, 0.0002056900000000, -0.0000194000000000 ] - [ 0.0008245600000000, -0.0001662900000000, 0.0022976500000000 ] - [ -0.0002140000000000, -0.0001480900000000, -0.0009115500000000 ] - [ -0.0004537900000000, -0.0006286700000000, -0.0007839100000000 ] - [ 0.0000779500000000, -0.0004122200000000, 0.0006521700000000 ] - [ -0.0003210300000000, -0.0000384600000000, 0.0000106800000000 ] - [ -0.0001406200000000, -0.0001482600000000, 0.0003622200000000 ] - [ 0.0008450400000000, -0.0007598500000000, -0.0005396100000000 ] - [ 0.0009156400000000, -0.0007916800000000, -0.0002856800000000 ] - [ -0.0003987200000000, 0.0004470700000000, -0.0001705400000000 ] - [ 0.0004555100000000, 0.0013026600000000, 0.0012866300000000 ] - [ 0.0009492200000000, -0.0000790800000000, 0.0001264500000000 ] - [ 0.0007694900000000, -0.0002178200000000, 0.0001055200000000 ] - [ 0.0025921500000000, 0.0017422800000000, 0.0002279400000000 ] - [ -0.0002936600000000, 0.0001607300000000, 0.0000648600000000 ] - [ -0.2482506700000000, 0.1176425900000000, -0.0769150700000000 ] - [ -0.0000088500000000, 0.0006765800000000, -0.0001171300000000 ] - [ -0.0002182500000000, -0.0018604500000000, -0.0031983700000000 ] - [ 0.0002377300000000, -0.0001527600000000, 0.0005816000000000 ] - [ -0.0041927500000000, -0.0006317800000000, -0.0004292200000000 ] - [ 0.0001669400000000, 0.0002802900000000, 0.0000008400000000 ] - [ -0.0007176600000000, -0.0000025000000000, -0.0001157400000000 ] - [ -0.0009641600000000, 0.0000914300000000, -0.0006698500000000 ] - [ 0.0009654900000000, 0.0005580200000000, -0.0002770400000000 ] - [ 0.0007005400000000, 0.0004268200000000, -0.0003864700000000 ] - [ 0.0027043400000000, 0.0004101000000000, -0.0015863800000000 ] - [ 0.0002013200000000, -0.0002054200000000, 0.0003825300000000 ] - [ -0.0023094500000000, -0.0029503500000000, -0.0006309900000000 ] - [ 0.0000213400000000, -0.0003860000000000, 0.0000846100000000 ] - [ 0.0002305500000000, 0.0002339900000000, -0.0010115400000000 ] - [ 0.0007190900000000, -0.0009509100000000, 0.0009660500000000 ] - [ -0.0004642700000000, -0.0003538900000000, -0.0002972000000000 ] - [ -0.0007278500000000, -0.0005042500000000, 0.0001402900000000 ] - [ 0.0009551100000000, -0.0020691600000000, -0.0026723800000000 ] - [ 0.0001965100000000, 0.0000436300000000, 0.0003977100000000 ] - [ 0.0052978600000000, -0.0001028400000000, 0.0115589800000000 ] - [ -0.0000269000000000, -0.0000243700000000, 0.0000750400000000 ] - [ -0.0022755700000000, 0.0008644600000000, 0.0009529200000000 ] - [ -0.0016185400000000, 0.0002134300000000, 0.0007633900000000 ] - [ -0.0003826500000000, -0.0055437800000000, 0.0000280300000000 ] - [ 0.0000063300000000, 0.0002793600000000, 0.0002153400000000 ] - [ 0.0030559200000000, -0.0001831300000000, 0.0007979900000000 ] - [ -0.0001680600000000, -0.0001980500000000, 0.0002606600000000 ] - [ -0.0055718400000000, 0.0044956800000000, -0.0007802100000000 ] - [ 0.0004687500000000, -0.0004251100000000, -0.0000739700000000 ] - [ 0.0030984900000000, -0.0071352100000000, -0.0001761200000000 ] - [ -0.0001186900000000, -0.0001423700000000, 0.0003644800000000 ] - [ -0.0002177700000000, 0.0000583700000000, 0.0003276100000000 ] - [ -0.0001147100000000, -0.0000323900000000, 0.0008358800000000 ] - [ 0.0285100300000000, -0.0100406600000000, 0.0007883700000000 ] - [ -0.0006108800000000, -0.0001887900000000, -0.0000794100000000 ] - [ 0.0172875200000000, 0.0016798900000000, -0.0033291900000000 ] - [ 0.0001311700000000, 0.0002087300000000, 0.0004903600000000 ] - [ -0.0002066200000000, -0.0003680000000000, -0.0005039900000000 ] - [ -0.0000940800000000, -0.0000251400000000, 0.0005077100000000 ] - [ 0.0034107200000000, 0.0081026000000000, 0.0125635500000000 ] - [ -0.0002247000000000, 0.0001143500000000, 0.0009231300000000 ] - [ 0.0048761200000000, -0.0201351900000000, -0.0006793500000000 ] - [ 0.0002391200000000, -0.0002036800000000, 0.0002015900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000033400000000, -0.0001532300000000, 0.0008166400000000 ] - [ -0.0001368300000000, 0.0001627400000000, -0.0005625000000000 ] - [ -0.0007286000000000, 0.0006999700000000, 0.0007204800000000 ] - [ 0.0000046900000000, -0.0000141500000000, -0.0004478200000000 ] - [ 0.0009492600000000, 0.0013660200000000, 0.0003487000000000 ] - [ 0.0001783000000000, -0.0003557500000000, -0.0007553500000000 ] - [ -0.0012243200000000, -0.0043143400000000, -0.0011508600000000 ] - [ 0.0002057300000000, 0.0003463100000000, -0.0007987000000000 ] - [ -0.0010141500000000, 0.0011352200000000, 0.0008704500000000 ] - [ 0.0001983000000000, -0.0000322400000000, -0.0006207200000000 ] - [ 0.0029128200000000, 0.0017429300000000, -0.0004395600000000 ] - [ -0.0001195700000000, -0.0004202000000000, -0.0010418700000000 ] - [ -0.0005145600000000, -0.0014501400000000, 0.0007881700000000 ] - [ -0.0000145700000000, 0.0002178500000000, -0.0006245800000000 ] - [ -0.0002802900000000, -0.0000490600000000, 0.0008423300000000 ] - [ -0.0003803300000000, 0.0000207300000000, -0.0007505700000000 ] - [ -0.0003239000000000, -0.0005403900000000, 0.0014802000000000 ] - [ -0.0002557000000000, 0.0001664000000000, -0.0017187300000000 ] - [ -0.0019981000000000, -0.0005800900000000, -0.0014583400000000 ] - [ 0.0000594500000000, 0.0000054700000000, 0.0001320100000000 ] - [ -0.0003625900000000, -0.0001121000000000, 0.0019681300000000 ] - [ 0.0000052500000000, -0.0000154600000000, -0.0015679200000000 ] - [ 0.0021984400000000, 0.0001415000000000, -0.0027661400000000 ] - [ 0.0008394200000000, 0.0000818100000000, -0.0108225700000000 ] - [ 0.0285880700000000, -0.0206438700000000, 0.0303532900000000 ] - [ 0.0000702700000000, -0.0002799400000000, -0.0019215000000000 ] - [ -0.0000499000000000, -0.0003869300000000, -0.0013206700000000 ] - [ 0.0001454100000000, 0.0006776200000000, -0.0003755100000000 ] - [ 0.0005354200000000, 0.0011675200000000, -0.0017891900000000 ] - [ 0.0002124000000000, -0.0004590700000000, 0.0000556600000000 ] - [ 0.0008132400000000, 0.0007891300000000, 0.0025136300000000 ] - [ 0.0002164400000000, 0.0001483800000000, -0.0017268500000000 ] - [ 0.0006535400000000, 0.0011334800000000, 0.0046415300000000 ] - [ 0.0002366300000000, -0.0000277600000000, -0.0017797500000000 ] - [ 0.0011251300000000, -0.0009425600000000, 0.0004353200000000 ] - [ -0.0000364900000000, 0.0021949600000000, -0.0015567300000000 ] - [ 0.0000971200000000, 0.0008977900000000, 0.0027208600000000 ] - [ -0.0002824000000000, 0.0001331400000000, -0.0019206100000000 ] - [ 0.0005274000000000, 0.0012472000000000, 0.0008594900000000 ] - [ -0.0019619700000000, -0.0010195900000000, -0.0016513600000000 ] - [ 0.0639799700000000, 0.0089977300000000, 0.0605232400000000 ] - [ 0.0000295400000000, -0.0000005100000000, -0.0022435700000000 ] - [ -0.0005500000000000, -0.0004852500000000, 0.0003983800000000 ] - [ 0.0002949700000000, 0.0001082900000000, -0.0012417600000000 ] - [ 0.0013372900000000, 0.0002990000000000, 0.0051497500000000 ] - [ -0.0001077700000000, -0.0001117300000000, -0.0019306800000000 ] - [ 0.0012698300000000, 0.0031257200000000, -0.0092804600000000 ] - [ 0.0016855800000000, -0.0013867300000000, -0.0022953600000000 ] - [ -0.0007224300000000, -0.0023702500000000, 0.0018436900000000 ] - [ -0.0004030200000000, 0.0007777200000000, 0.0006877400000000 ] - [ -0.0000122100000000, -0.0004884500000000, -0.0010787400000000 ] - [ 0.0001886300000000, 0.0000050900000000, 0.0010102100000000 ] - [ -0.0007220400000000, -0.0018588100000000, -0.0013934400000000 ] - [ -0.0001747600000000, 0.0003614900000000, 0.0013769200000000 ] - [ 0.0015438300000000, -0.0003159300000000, 0.0031075200000000 ] - [ -0.0009346200000000, -0.0000226700000000, 0.0004556200000000 ] - [ -0.0004708900000000, 0.0004144200000000, 0.0005716900000000 ] - [ -0.0001902000000000, -0.0007331300000000, 0.0007066200000000 ] - [ -0.0003122600000000, 0.0000739400000000, 0.0002716000000000 ] - [ 0.0000903900000000, 0.0004612700000000, 0.0000821500000000 ] - [ 0.0002147000000000, -0.0000569000000000, 0.0004073000000000 ] - [ 0.0004820000000000, -0.0003933600000000, -0.0000258100000000 ] - [ -0.0010191800000000, -0.0002795800000000, 0.0002562700000000 ] - [ 0.0013191000000000, 0.0024631800000000, 0.0026293800000000 ] - [ 0.0007783600000000, -0.0002806400000000, 0.0000508400000000 ] - [ 0.0006799800000000, 0.0001035800000000, 0.0006606500000000 ] - [ -0.0001725700000000, -0.0006742800000000, -0.0013275300000000 ] - [ -0.0003444300000000, 0.0003352800000000, 0.0006720300000000 ] - [ -0.1257857700000000, 0.0178439300000000, -0.0904350900000000 ] - [ 0.0003210000000000, 0.0006148100000000, 0.0007169600000000 ] - [ -0.0003100600000000, 0.0016663400000000, -0.0020173300000000 ] - [ 0.0002099500000000, -0.0002058700000000, 0.0016671000000000 ] - [ -0.0003329100000000, 0.0005968100000000, -0.0029729700000000 ] - [ 0.0004195300000000, 0.0002072000000000, 0.0006685200000000 ] - [ -0.0006414300000000, 0.0001867000000000, -0.0000359700000000 ] - [ -0.0005332600000000, 0.0006260700000000, -0.0000765100000000 ] - [ 0.0009336800000000, 0.0005305400000000, -0.0000729600000000 ] - [ 0.0007010700000000, 0.0000245700000000, -0.0000397600000000 ] - [ 0.0006632200000000, -0.0003488600000000, -0.0014012900000000 ] - [ 0.0001487300000000, -0.0002054600000000, 0.0014546000000000 ] - [ -0.0000272800000000, -0.0003801400000000, -0.0014076100000000 ] - [ -0.0001067500000000, -0.0004927800000000, 0.0006892500000000 ] - [ -0.0003112800000000, 0.0004195200000000, 0.0002882300000000 ] - [ 0.0011741700000000, -0.0025943400000000, 0.0025729300000000 ] - [ 0.0001885800000000, -0.0000235800000000, 0.0001969800000000 ] - [ -0.0005250800000000, -0.0009402200000000, 0.0001950000000000 ] - [ -0.0002317400000000, 0.0000893700000000, -0.0013301600000000 ] - [ 0.0001860900000000, -0.0001773000000000, 0.0016207400000000 ] - [ 0.0117502700000000, -0.0055023700000000, 0.0112911600000000 ] - [ -0.0002009000000000, -0.0000568700000000, 0.0018048000000000 ] - [ -0.0013255600000000, -0.0002619600000000, 0.0030188700000000 ] - [ -0.0020904600000000, 0.0002217400000000, 0.0025650600000000 ] - [ 0.0002552500000000, 0.0011458700000000, -0.0023541300000000 ] - [ -0.0002435900000000, 0.0002565200000000, 0.0009570900000000 ] - [ -0.0006674700000000, 0.0003670500000000, -0.0015160300000000 ] - [ -0.0000498000000000, -0.0003689000000000, 0.0009863200000000 ] - [ -0.0006005600000000, -0.0005429100000000, -0.0089780000000000 ] - [ 0.0003340200000000, -0.0006486200000000, 0.0006693200000000 ] - [ -0.0003384600000000, -0.0006673900000000, -0.0013572700000000 ] - [ -0.0000615100000000, -0.0001952000000000, 0.0010571800000000 ] - [ 0.0004003100000000, 0.0004226100000000, -0.0005742800000000 ] - [ -0.0000529700000000, -0.0000089400000000, 0.0019923300000000 ] - [ -0.0008045700000000, -0.0007332600000000, -0.0089842600000000 ] - [ -0.0007142700000000, 0.0000321700000000, 0.0006687700000000 ] - [ -0.0038891400000000, 0.0006883200000000, -0.0043395900000000 ] - [ -0.0000201700000000, 0.0001586800000000, 0.0012433400000000 ] - [ -0.0002271600000000, -0.0000353800000000, -0.0014882800000000 ] - [ 0.0000677300000000, 0.0002120900000000, 0.0016366600000000 ] - [ 0.0226281700000000, 0.0021983200000000, 0.0231439700000000 ] - [ -0.0003596400000000, -0.0000134200000000, 0.0027686900000000 ] - [ 0.0008821800000000, -0.0049378500000000, -0.0055333100000000 ] - [ 0.0003382700000000, 0.0000846500000000, 0.0010182200000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000049500000000, 0.0001551500000000, -0.0005383900000000 ] - [ 0.0001376300000000, -0.0001633000000000, 0.0008328500000000 ] - [ 0.0007302900000000, -0.0007018600000000, -0.0004582900000000 ] - [ -0.0000043100000000, 0.0000138400000000, 0.0007201100000000 ] - [ -0.0007865900000000, -0.0016727300000000, -0.0003016700000000 ] - [ -0.0000105600000000, 0.0000556000000000, 0.0008155200000000 ] - [ 0.0013955800000000, 0.0046044700000000, 0.0011646900000000 ] - [ -0.0000245000000000, -0.0000401600000000, 0.0008587500000000 ] - [ 0.0013471700000000, -0.0011394600000000, -0.0007968300000000 ] - [ 0.0001394800000000, 0.0000242300000000, 0.0006791100000000 ] - [ -0.0031552000000000, -0.0020914100000000, 0.0006333100000000 ] - [ -0.0000593700000000, 0.0001178600000000, 0.0011040300000000 ] - [ 0.0003443600000000, 0.0017490100000000, -0.0007141500000000 ] - [ -0.0001546000000000, 0.0000836500000000, 0.0006840100000000 ] - [ -0.0000521900000000, 0.0000572800000000, -0.0007949700000000 ] - [ 0.0000404800000000, -0.0000109100000000, 0.0008099300000000 ] - [ -0.0000673500000000, 0.0005408900000000, -0.0015696100000000 ] - [ -0.0001757600000000, -0.0001943800000000, 0.0016586600000000 ] - [ 0.0018128200000000, 0.0001914900000000, 0.0013971500000000 ] - [ -0.0002529400000000, -0.0003934300000000, -0.0001776500000000 ] - [ 0.0003624500000000, 0.0001200400000000, -0.0022627600000000 ] - [ -0.0000127400000000, 0.0000184800000000, 0.0012892900000000 ] - [ -0.0022115500000000, -0.0001464400000000, 0.0024966300000000 ] - [ -0.0008277700000000, -0.0000849000000000, 0.0105194800000000 ] - [ -0.0284484500000000, 0.0202817500000000, -0.0300346600000000 ] - [ 0.0001700100000000, -0.0000817200000000, 0.0018623600000000 ] - [ -0.0001868500000000, 0.0007552200000000, 0.0012586100000000 ] - [ -0.0003856600000000, -0.0003131100000000, 0.0003201800000000 ] - [ -0.0001044900000000, -0.0011492900000000, 0.0017282700000000 ] - [ 0.0002173700000000, 0.0004834900000000, -0.0001034200000000 ] - [ -0.0006351000000000, -0.0004396000000000, -0.0026030100000000 ] - [ -0.0000219500000000, 0.0002415600000000, 0.0016669200000000 ] - [ -0.0000695600000000, -0.0009046900000000, -0.0046372200000000 ] - [ 0.0003435600000000, 0.0002434400000000, 0.0017650300000000 ] - [ -0.0006633300000000, 0.0005661100000000, -0.0004624800000000 ] - [ 0.0005094000000000, -0.0025664700000000, 0.0015477300000000 ] - [ -0.0005837500000000, -0.0005268000000000, -0.0027216200000000 ] - [ -0.0001905400000000, 0.0002506000000000, 0.0019067000000000 ] - [ -0.0004375400000000, -0.0006425800000000, -0.0008933400000000 ] - [ 0.0020470100000000, 0.0016264000000000, 0.0016395300000000 ] - [ -0.0630355400000000, -0.0089381100000000, -0.0610466200000000 ] - [ -0.0000247400000000, 0.0000004400000000, 0.0022021300000000 ] - [ 0.0005482100000000, 0.0004887500000000, -0.0004526400000000 ] - [ -0.0002964000000000, -0.0001063500000000, 0.0012040300000000 ] - [ -0.0014174300000000, -0.0008925400000000, -0.0051231500000000 ] - [ 0.0000128700000000, -0.0005006400000000, 0.0019179200000000 ] - [ -0.0018363200000000, -0.0033589900000000, 0.0092925000000000 ] - [ -0.0022541300000000, 0.0011658000000000, 0.0022796100000000 ] - [ 0.0004955500000000, 0.0027818400000000, -0.0014724500000000 ] - [ 0.0001741100000000, -0.0003762800000000, -0.0003175200000000 ] - [ 0.0002300200000000, 0.0000763200000000, 0.0014413700000000 ] - [ 0.0000403900000000, -0.0003978700000000, -0.0006390600000000 ] - [ 0.0002858000000000, 0.0021984800000000, 0.0013107400000000 ] - [ -0.0002651700000000, -0.0000136500000000, -0.0014500400000000 ] - [ -0.0016828700000000, -0.0002914900000000, -0.0030611400000000 ] - [ 0.0007970700000000, -0.0005839800000000, -0.0004023500000000 ] - [ 0.0002483000000000, -0.0008169400000000, -0.0002007200000000 ] - [ -0.0000333200000000, 0.0003330200000000, -0.0003416900000000 ] - [ -0.0001463700000000, 0.0003437400000000, -0.0002103600000000 ] - [ -0.0005467000000000, -0.0000377500000000, -0.0000347200000000 ] - [ 0.0003819800000000, 0.0002430300000000, -0.0003499500000000 ] - [ 0.0001187400000000, 0.0005716900000000, 0.0000677500000000 ] - [ 0.0008263100000000, 0.0009070500000000, -0.0004645500000000 ] - [ -0.0015199100000000, -0.0018300400000000, -0.0028314700000000 ] - [ -0.0003224200000000, 0.0002823400000000, 0.0003295900000000 ] - [ -0.0002135000000000, -0.0001091000000000, -0.0002890800000000 ] - [ -0.0004710900000000, 0.0008149000000000, 0.0011153200000000 ] - [ -0.0002934000000000, -0.0002002900000000, -0.0008856100000000 ] - [ 0.1250779100000000, -0.0166049900000000, 0.0897090900000000 ] - [ -0.0001951000000000, 0.0006683100000000, -0.0012545100000000 ] - [ 0.0008280700000000, -0.0014573700000000, 0.0019257700000000 ] - [ 0.0003113600000000, 0.0004075100000000, -0.0017377800000000 ] - [ 0.0007813900000000, -0.0001042300000000, 0.0027645200000000 ] - [ 0.0000219800000000, 0.0002788000000000, -0.0008791000000000 ] - [ -0.0004027200000000, 0.0005702700000000, -0.0004951500000000 ] - [ -0.0005156500000000, 0.0001342400000000, -0.0004616800000000 ] - [ 0.0002410200000000, -0.0000030700000000, -0.0004585500000000 ] - [ 0.0004775800000000, 0.0005052000000000, -0.0004989400000000 ] - [ -0.0007391800000000, -0.0001947600000000, 0.0013098600000000 ] - [ -0.0002329100000000, -0.0003391800000000, -0.0015250100000000 ] - [ 0.0002291700000000, -0.0002493300000000, 0.0011936300000000 ] - [ 0.0003104800000000, -0.0001265200000000, -0.0009016500000000 ] - [ 0.0009523200000000, -0.0005620400000000, -0.0004981900000000 ] - [ -0.0005295800000000, 0.0024494500000000, -0.0027768800000000 ] - [ -0.0003202000000000, -0.0012638800000000, -0.0007314200000000 ] - [ 0.0003982100000000, -0.0003418600000000, -0.0007331900000000 ] - [ 0.0003195000000000, 0.0004583400000000, 0.0012817200000000 ] - [ -0.0001016100000000, 0.0007192400000000, -0.0016927300000000 ] - [ -0.0114830600000000, 0.0052031700000000, -0.0114644500000000 ] - [ 0.0006367900000000, -0.0002917300000000, -0.0018806400000000 ] - [ 0.0008824800000000, -0.0002256700000000, -0.0032475300000000 ] - [ 0.0016408800000000, -0.0007054800000000, -0.0027678100000000 ] - [ -0.0001204800000000, -0.0005340700000000, 0.0024194700000000 ] - [ 0.0003740700000000, 0.0003521300000000, -0.0009038700000000 ] - [ 0.0000583800000000, -0.0005511300000000, 0.0015780400000000 ] - [ -0.0005497200000000, 0.0001864100000000, -0.0009396200000000 ] - [ 0.0015062600000000, -0.0002857100000000, 0.0084312500000000 ] - [ 0.0007125500000000, -0.0001076700000000, -0.0012039600000000 ] - [ -0.0001236200000000, 0.0006728900000000, 0.0017206900000000 ] - [ -0.0004006500000000, 0.0001991900000000, -0.0006831500000000 ] - [ -0.0004000500000000, -0.0004204300000000, 0.0018610600000000 ] - [ 0.0000558300000000, 0.0000140600000000, -0.0007177500000000 ] - [ -0.0004499500000000, 0.0002510700000000, 0.0084253700000000 ] - [ -0.0004609100000000, -0.0005629700000000, -0.0012045000000000 ] - [ 0.0041555300000000, -0.0002861500000000, 0.0047006600000000 ] - [ 0.0002466500000000, 0.0002392600000000, -0.0008731800000000 ] - [ -0.0002978200000000, -0.0001686800000000, 0.0014404700000000 ] - [ -0.0005869000000000, -0.0004127700000000, -0.0017094900000000 ] - [ -0.0222486400000000, -0.0021576000000000, -0.0215479400000000 ] - [ 0.0003585100000000, 0.0000092700000000, -0.0014946800000000 ] - [ -0.0004075000000000, 0.0044726600000000, 0.0056111400000000 ] - [ 0.0001192800000000, -0.0005048400000000, -0.0009660400000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000099961, 0.0000000000000000 ] forces: - [ -0.0003343400000000, 0.0001915400000000, 0.0001349800000000 ] - [ -0.0003115400000000, 0.0001659800000000, 0.0001356500000000 ] - [ -0.0006096200000000, -0.0000593700000000, 0.0001359200000000 ] - [ -0.0000668900000000, 0.0000677500000000, 0.0001351200000000 ] - [ 0.0020414700000000, -0.0018263900000000, 0.0000961000000000 ] - [ 0.0001349100000000, -0.0001588500000000, 0.0000203300000000 ] - [ -0.0054017100000000, -0.0025546300000000, -0.0002095800000000 ] - [ 0.0000977200000000, 0.0000719700000000, 0.0000562300000000 ] - [ -0.0002089500000000, 0.0000481900000000, 0.0004858700000000 ] - [ -0.0003856600000000, 0.0000352500000000, -0.0005665000000000 ] - [ -0.0000658300000000, -0.0008905300000000, -0.0005354600000000 ] - [ -0.0001575700000000, -0.0011459700000000, 0.0008434500000000 ] - [ 0.0004265800000000, 0.0001454000000000, 0.0001382900000000 ] - [ 0.0005049300000000, 0.0000814100000000, -0.0001909700000000 ] - [ -0.0028458700000000, 0.0042770600000000, 0.0002083400000000 ] - [ -0.0001900400000000, -0.0000045200000000, 0.0000112400000000 ] - [ -0.0003726200000000, 0.0020613700000000, -0.0007442900000000 ] - [ -0.0002382400000000, 0.0003605600000000, 0.0000554300000000 ] - [ 0.0011020100000000, 0.0041560800000000, -0.0002797000000000 ] - [ 0.0001315200000000, -0.0002045600000000, 0.0005339700000000 ] - [ 0.0169164500000000, 0.0002703400000000, -0.0005255300000000 ] - [ 0.0006067700000000, 0.0000021200000000, -0.0001422400000000 ] - [ -0.0012648700000000, 0.0003348500000000, -0.0001386900000000 ] - [ -0.0000902000000000, -0.0000983400000000, -0.0001407500000000 ] - [ 0.0001290600000000, -0.0022399600000000, -0.0012664800000000 ] - [ 0.0002004500000000, -0.0004138100000000, -0.0000492700000000 ] - [ -0.0064337500000000, 0.0045416900000000, 0.0016821900000000 ] - [ 0.0001100300000000, 0.0004757800000000, -0.0012284400000000 ] - [ -0.0023969000000000, -0.0021570600000000, -0.0014840600000000 ] - [ 0.0001796500000000, 0.0001566700000000, 0.0006026000000000 ] - [ -0.0035511000000000, 0.0000592500000000, 0.0019086600000000 ] - [ -0.0003993400000000, 0.0001764200000000, -0.0000998100000000 ] - [ -0.0056256700000000, 0.0044931000000000, -0.0019083400000000 ] - [ 0.0006515400000000, 0.0006402500000000, 0.0017078500000000 ] - [ -0.0044661800000000, -0.0003117200000000, -0.0026658100000000 ] - [ -0.0002273900000000, -0.0001830400000000, 0.0000694300000000 ] - [ 0.0010108000000000, 0.0043118500000000, 0.0003923700000000 ] - [ 0.0002332100000000, 0.0001998900000000, -0.0009263600000000 ] - [ -0.0000467800000000, 0.0030241200000000, 0.0011332400000000 ] - [ 0.0000626000000000, 0.0006714100000000, -0.0001103700000000 ] - [ -0.0014043600000000, 0.0004323400000000, -0.0000229800000000 ] - [ -0.0001742000000000, -0.0001018100000000, -0.0000211200000000 ] - [ 0.0347456000000000, 0.0004608700000000, 0.0006000200000000 ] - [ 0.0005764800000000, 0.0000278500000000, -0.0000218200000000 ] - [ -0.0026323000000000, -0.0022616200000000, 0.0014875000000000 ] - [ -0.0000870300000000, -0.0001277300000000, -0.0008103200000000 ] - [ -0.0002306800000000, -0.0028047300000000, 0.0015392200000000 ] - [ -0.0002035100000000, -0.0003369000000000, 0.0000162900000000 ] - [ 0.0004239800000000, 0.0019644300000000, -0.0001155800000000 ] - [ -0.0001013800000000, 0.0003022600000000, 0.0000554300000000 ] - [ 0.0004490200000000, -0.0021345900000000, 0.0005097400000000 ] - [ -0.0000459200000000, -0.0007039700000000, -0.0001598500000000 ] - [ 0.0013376800000000, -0.0004390000000000, 0.0019344200000000 ] - [ 0.0012814700000000, -0.0005426400000000, -0.0021429500000000 ] - [ -0.0011798000000000, -0.0002800500000000, -0.0003340900000000 ] - [ -0.0002084100000000, -0.0002502800000000, -0.0000350500000000 ] - [ 0.0037824200000000, -0.0001383500000000, 0.0007113600000000 ] - [ 0.0001708000000000, -0.0001673200000000, 0.0004313400000000 ] - [ 0.0000789400000000, -0.0018299800000000, -0.0001611400000000 ] - [ -0.0003194300000000, -0.0001718900000000, 0.0003138700000000 ] - [ 0.0016928600000000, 0.0003115100000000, 0.0005671600000000 ] - [ 0.0005611800000000, -0.0000292300000000, -0.0002010700000000 ] - [ -0.0004843300000000, 0.0000376200000000, -0.0004231600000000 ] - [ -0.0001641700000000, 0.0002558300000000, -0.0001232900000000 ] - [ 0.0009768700000000, -0.0020061600000000, -0.0000510000000000 ] - [ 0.0003182300000000, -0.0001702500000000, 0.0000714500000000 ] - [ -0.0023642700000000, -0.0052672300000000, -0.0071652900000000 ] - [ -0.0004974100000000, 0.0001647800000000, 0.0001672000000000 ] - [ 0.0008865500000000, 0.0013743100000000, 0.0001325600000000 ] - [ 0.0000963600000000, 0.0007962500000000, -0.0003228600000000 ] - [ 0.0007197300000000, 0.0005579100000000, -0.0009871600000000 ] - [ 0.0007318100000000, 0.0004775100000000, 0.0008652400000000 ] - [ 0.0056019600000000, -0.0009321400000000, 0.0126970400000000 ] - [ -0.0001612400000000, 0.0002740300000000, -0.0006032200000000 ] - [ -0.0057369200000000, 0.0051914500000000, 0.0090819300000000 ] - [ -0.0007360900000000, 0.0002587500000000, -0.0004365600000000 ] - [ -0.0027784900000000, -0.0078419900000000, 0.0128226400000000 ] - [ 0.0004284200000000, 0.0003701900000000, -0.0004566100000000 ] - [ 0.0000345100000000, -0.0013031900000000, -0.0010524700000000 ] - [ -0.0000072400000000, -0.0013405800000000, 0.0011815100000000 ] - [ -0.0018183800000000, 0.0028681700000000, -0.0057901900000000 ] - [ -0.0001201300000000, -0.0004207900000000, 0.0001205800000000 ] - [ 0.0016338200000000, -0.0005760700000000, 0.0005271400000000 ] - [ 0.0004486200000000, -0.0000478700000000, -0.0001404400000000 ] - [ 0.0068195400000000, -0.0006666400000000, -0.0228079100000000 ] - [ -0.0004445300000000, -0.0006029700000000, 0.0000913100000000 ] - [ 0.0046742300000000, 0.0004903000000000, 0.0005282200000000 ] - [ 0.0001863900000000, 0.0002634400000000, -0.0000324200000000 ] - [ 0.0004215200000000, 0.0022320600000000, -0.0002835000000000 ] - [ 0.0001871200000000, -0.0000975100000000, -0.0000374500000000 ] - [ 0.0004512000000000, 0.0008326800000000, -0.0004298200000000 ] - [ -0.0002519300000000, -0.0000970600000000, -0.0000523800000000 ] - [ 0.0030685800000000, 0.0001143000000000, -0.0002566300000000 ] - [ 0.0003817600000000, 0.0002981700000000, -0.0004273000000000 ] - [ 0.0001385000000000, -0.0016839300000000, 0.0001536900000000 ] - [ -0.0002263700000000, -0.0002882100000000, 0.0002714000000000 ] - [ 0.0003636800000000, -0.0005551000000000, -0.0001025400000000 ] - [ 0.0004949300000000, -0.0003997500000000, -0.0002497000000000 ] - [ 0.0008560400000000, 0.0002739100000000, -0.0003975900000000 ] - [ 0.0000336600000000, -0.0001015500000000, 0.0004629900000000 ] - [ -0.0417350100000000, -0.0000328800000000, 0.0004401100000000 ] - [ -0.0001993900000000, 0.0000022100000000, 0.0006413600000000 ] - [ 0.0005280600000000, -0.0008372100000000, -0.0008291300000000 ] - [ -0.0004297500000000, -0.0002541300000000, -0.0002302100000000 ] - [ -0.0010928500000000, 0.0000167500000000, 0.0004479200000000 ] - [ -0.0001832400000000, 0.0002616500000000, 0.0002563100000000 ] - [ 0.0002752300000000, -0.0026417300000000, -0.0003567800000000 ] - [ -0.0002794000000000, -0.0002152000000000, -0.0000326800000000 ] - [ 0.0002985600000000, -0.0000160600000000, 0.0006411000000000 ] - [ 0.0002988500000000, 0.0000128500000000, 0.0006388500000000 ] - [ 0.0007365900000000, 0.0011224200000000, 0.0001907100000000 ] - [ 0.0002577600000000, -0.0001020200000000, 0.0002320700000000 ]- atom: 101 displacement: [ -0.0100000000000000, -0.0000000000099961, 0.0000000000000000 ] forces: - [ 0.0003331100000000, -0.0001901400000000, 0.0001350500000000 ] - [ 0.0003108700000000, -0.0001650500000000, 0.0001357600000000 ] - [ 0.0006103300000000, 0.0000647900000000, 0.0001360300000000 ] - [ 0.0000670900000000, -0.0000679900000000, 0.0001352100000000 ] - [ -0.0018835600000000, 0.0015189800000000, -0.0000308000000000 ] - [ 0.0000321900000000, -0.0001392900000000, 0.0000381200000000 ] - [ 0.0055996800000000, 0.0028538000000000, 0.0002716300000000 ] - [ 0.0000776400000000, 0.0002266600000000, 0.0000027200000000 ] - [ 0.0005351200000000, -0.0000539400000000, -0.0004270000000000 ] - [ 0.0007106700000000, -0.0000415100000000, 0.0006229300000000 ] - [ -0.0001078100000000, 0.0005904200000000, 0.0005937700000000 ] - [ -0.0000173900000000, 0.0008448700000000, -0.0007841300000000 ] - [ -0.0005930700000000, 0.0001532500000000, -0.0000780000000000 ] - [ -0.0006680600000000, 0.0002124900000000, 0.0002472300000000 ] - [ 0.0024869000000000, -0.0042740800000000, -0.0001455500000000 ] - [ -0.0001381900000000, 0.0000114100000000, 0.0000468400000000 ] - [ -0.0000607500000000, -0.0020843500000000, 0.0006817600000000 ] - [ -0.0001934600000000, -0.0003874300000000, -0.0001180500000000 ] - [ -0.0012900900000000, -0.0045092400000000, 0.0002173400000000 ] - [ -0.0003267300000000, -0.0001842600000000, -0.0005932600000000 ] - [ -0.0169410600000000, -0.0002688400000000, -0.0005252200000000 ] - [ -0.0006122700000000, 0.0000009900000000, -0.0001415400000000 ] - [ 0.0012677000000000, -0.0003443100000000, -0.0001377800000000 ] - [ 0.0000964400000000, 0.0000944200000000, -0.0001400800000000 ] - [ 0.0001133200000000, 0.0018749100000000, 0.0012062400000000 ] - [ 0.0000400200000000, 0.0000505500000000, -0.0000130200000000 ] - [ 0.0062101900000000, -0.0041850300000000, -0.0017315200000000 ] - [ -0.0003506700000000, -0.0001144200000000, 0.0011633000000000 ] - [ 0.0027833500000000, 0.0021689000000000, 0.0014326900000000 ] - [ 0.0002498800000000, -0.0001304900000000, -0.0006624200000000 ] - [ 0.0037512500000000, 0.0003287200000000, -0.0019902300000000 ] - [ 0.0005930700000000, 0.0002136100000000, 0.0000369300000000 ] - [ 0.0062067000000000, -0.0042756500000000, 0.0018822300000000 ] - [ -0.0000718100000000, -0.0004242400000000, -0.0017223700000000 ] - [ 0.0049424300000000, -0.0000727900000000, 0.0026900500000000 ] - [ 0.0007015900000000, -0.0001979800000000, -0.0000845700000000 ] - [ -0.0014793700000000, -0.0039119200000000, -0.0004025300000000 ] - [ -0.0007050600000000, 0.0001829600000000, 0.0009061800000000 ] - [ 0.0001418700000000, -0.0024083900000000, -0.0011366700000000 ] - [ 0.0000303500000000, -0.0000590300000000, 0.0000934500000000 ] - [ 0.0014082600000000, -0.0004374100000000, -0.0000236400000000 ] - [ 0.0001792200000000, 0.0001010200000000, -0.0000218400000000 ] - [ -0.0347699800000000, -0.0004565200000000, 0.0006000000000000 ] - [ -0.0005798700000000, -0.0000267000000000, -0.0000225400000000 ] - [ 0.0025127300000000, 0.0016467900000000, -0.0015073700000000 ] - [ -0.0000087000000000, -0.0004814800000000, 0.0007880400000000 ] - [ -0.0003418200000000, 0.0025819500000000, -0.0015461200000000 ] - [ -0.0003727200000000, 0.0001217500000000, -0.0000331500000000 ] - [ -0.0006461300000000, -0.0015603100000000, 0.0004815000000000 ] - [ -0.0001263500000000, 0.0000959100000000, 0.0003180600000000 ] - [ -0.0002212800000000, 0.0017360200000000, -0.0001382300000000 ] - [ 0.0002743800000000, 0.0003096400000000, 0.0005307900000000 ] - [ -0.0017706700000000, 0.0007921800000000, -0.0020002500000000 ] - [ -0.0017197700000000, 0.0008926700000000, 0.0020695000000000 ] - [ 0.0010427500000000, -0.0003305100000000, 0.0003876100000000 ] - [ 0.0000770600000000, -0.0003579200000000, 0.0000916800000000 ] - [ -0.0040147300000000, -0.0002614200000000, -0.0003552500000000 ] - [ -0.0003943900000000, -0.0002307200000000, -0.0000629600000000 ] - [ -0.0005398500000000, 0.0022488800000000, 0.0002124800000000 ] - [ -0.0001384300000000, 0.0005930500000000, -0.0002611900000000 ] - [ -0.0010821900000000, -0.0001340600000000, -0.0005265400000000 ] - [ 0.0000379200000000, 0.0002101200000000, 0.0002493900000000 ] - [ 0.0002805800000000, 0.0005861900000000, 0.0002084800000000 ] - [ -0.0000403000000000, 0.0003656400000000, -0.0000876900000000 ] - [ -0.0005119300000000, 0.0019971900000000, 0.0004186500000000 ] - [ 0.0001460100000000, 0.0001642700000000, 0.0003034200000000 ] - [ 0.0017466200000000, 0.0054072200000000, 0.0069701100000000 ] - [ -0.0001399300000000, -0.0000298500000000, -0.0003784900000000 ] - [ -0.0007593800000000, -0.0000877000000000, -0.0006670900000000 ] - [ 0.0000287000000000, 0.0004873200000000, -0.0002133400000000 ] - [ -0.0001949600000000, -0.0003536200000000, 0.0009131400000000 ] - [ -0.0002027300000000, -0.0002742300000000, -0.0009238500000000 ] - [ -0.0051532400000000, 0.0014272100000000, -0.0128068700000000 ] - [ 0.0006011700000000, 0.0002116600000000, 0.0003925600000000 ] - [ 0.0047683900000000, -0.0044299700000000, -0.0095817700000000 ] - [ -0.0003116600000000, 0.0005014300000000, -0.0000965700000000 ] - [ 0.0040023000000000, 0.0083881000000000, -0.0133852400000000 ] - [ 0.0007504200000000, 0.0001590300000000, -0.0000771000000000 ] - [ -0.0001189700000000, 0.0007556700000000, 0.0009798900000000 ] - [ -0.0000781500000000, 0.0007902400000000, -0.0012447200000000 ] - [ 0.0020594000000000, -0.0034900500000000, 0.0055774200000000 ] - [ 0.0003231900000000, -0.0001991300000000, -0.0003299900000000 ] - [ -0.0009965300000000, 0.0004460400000000, -0.0007495500000000 ] - [ 0.0001924000000000, -0.0000851500000000, -0.0000724000000000 ] - [ -0.0069284000000000, -0.0005891400000000, 0.0220667100000000 ] - [ 0.0003184600000000, -0.0006772500000000, -0.0006261000000000 ] - [ -0.0046265200000000, 0.0000513500000000, -0.0006038500000000 ] - [ -0.0001003600000000, 0.0002797900000000, -0.0000348200000000 ] - [ 0.0000116100000000, -0.0025729300000000, 0.0002056600000000 ] - [ 0.0002494900000000, -0.0002527600000000, -0.0000343600000000 ] - [ -0.0008931000000000, -0.0013210400000000, 0.0002145200000000 ] - [ -0.0001923500000000, -0.0003889500000000, -0.0001565500000000 ] - [ -0.0029385200000000, 0.0004920400000000, 0.0003221100000000 ] - [ -0.0002500700000000, 0.0003099700000000, 0.0004799400000000 ] - [ -0.0007346600000000, 0.0014967100000000, -0.0000957800000000 ] - [ -0.0003726600000000, 0.0001052100000000, -0.0002235100000000 ] - [ 0.0006829600000000, -0.0001994000000000, -0.0004318600000000 ] - [ 0.0005512500000000, -0.0003552900000000, -0.0002837100000000 ] - [ -0.0013096300000000, -0.0002778500000000, 0.0007761400000000 ] - [ -0.0004941500000000, 0.0001039900000000, -0.0000875600000000 ] - [ 0.0416227200000000, -0.0000333400000000, 0.0004371300000000 ] - [ 0.0002023700000000, 0.0000021900000000, 0.0006402400000000 ] - [ -0.0017115300000000, 0.0003131200000000, 0.0003015700000000 ] - [ -0.0007438700000000, -0.0002770100000000, -0.0003040600000000 ] - [ 0.0013176600000000, 0.0003811600000000, -0.0000776100000000 ] - [ 0.0004104100000000, 0.0001363800000000, 0.0001158700000000 ] - [ -0.0007977000000000, 0.0024320700000000, 0.0002830400000000 ] - [ -0.0002418400000000, 0.0000145500000000, -0.0000357100000000 ] - [ -0.0003025500000000, 0.0000124200000000, 0.0006398300000000 ] - [ -0.0003022900000000, -0.0000160500000000, 0.0006375200000000 ] - [ -0.0002758300000000, -0.0015433600000000, -0.0001367800000000 ] - [ 0.0001997900000000, -0.0003183900000000, -0.0001777400000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0006028000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029207800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013785800000000 ] - [ 0.0002940900000000, 0.0009179900000000, 0.0068405100000000 ] - [ 0.0001299100000000, -0.0001483600000000, -0.0016364600000000 ] - [ -0.0009420400000000, -0.0002043100000000, 0.0068405100000000 ] - [ 0.0000635300000000, 0.0001866900000000, -0.0016364600000000 ] - [ 0.0015072300000000, -0.0001010400000000, -0.0017506700000000 ] - [ -0.0016623400000000, 0.0001537100000000, -0.0018175800000000 ] - [ -0.0008411200000000, -0.0012547800000000, -0.0017506700000000 ] - [ 0.0009642900000000, 0.0013627700000000, -0.0018175800000000 ] - [ -0.0006661100000000, 0.0013558200000000, -0.0017506700000000 ] - [ 0.0006980500000000, -0.0015164800000000, -0.0018175800000000 ] - [ 0.0006479600000000, -0.0007136800000000, 0.0068405100000000 ] - [ -0.0001934400000000, -0.0000383200000000, -0.0016364600000000 ] - [ 0.0000443600000000, 0.0007791200000000, 0.0055416000000000 ] - [ -0.0005152200000000, 0.0001461900000000, -0.0034863900000000 ] - [ 0.0002317400000000, 0.0129904200000000, -0.0006175800000000 ] - [ -0.0004963400000000, -0.0003570300000000, -0.0040298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1785227900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045756800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000690100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022911000000000 ] - [ -0.0006969200000000, -0.0003511400000000, 0.0055416000000000 ] - [ 0.0001310100000000, -0.0005192800000000, -0.0034863900000000 ] - [ 0.0111341600000000, -0.0066959100000000, -0.0006175800000000 ] - [ -0.0000610300000000, 0.0006083600000000, -0.0040298300000000 ] - [ -0.0113659100000000, -0.0062945100000000, -0.0006175800000000 ] - [ 0.0005573700000000, -0.0002513200000000, -0.0040298300000000 ] - [ 0.0006525500000000, -0.0004279800000000, 0.0055416000000000 ] - [ 0.0003842100000000, 0.0003731000000000, -0.0034863900000000 ] - [ -0.0116208800000000, 0.0076021000000000, -0.0020224000000000 ] - [ 0.0003744900000000, -0.0005718400000000, -0.0046168000000000 ] - [ 0.0000716200000000, 0.0002454700000000, 0.0074564900000000 ] - [ -0.0000455100000000, -0.0003674500000000, -0.0039831000000000 ] - [ -0.0007731700000000, -0.0138650300000000, -0.0020224000000000 ] - [ 0.0003079800000000, 0.0006102300000000, -0.0046168000000000 ] - [ -0.0002484000000000, -0.0000607100000000, 0.0074564900000000 ] - [ 0.0003409800000000, 0.0001443100000000, -0.0039831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021378400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2584304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047883300000000 ] - [ 0.0123940600000000, 0.0062629300000000, -0.0020224000000000 ] - [ -0.0006824700000000, -0.0000384000000000, -0.0046168000000000 ] - [ 0.0001767800000000, -0.0001847600000000, 0.0074564900000000 ] - [ -0.0002954700000000, 0.0002231400000000, -0.0039831000000000 ] - [ 0.0016016300000000, 0.0028907300000000, -0.0031159200000000 ] - [ -0.0002655300000000, -0.0003421100000000, 0.0022155600000000 ] - [ 0.0016806900000000, -0.0032703300000000, -0.0003024700000000 ] - [ 0.0001835400000000, 0.0005468000000000, 0.0019560800000000 ] - [ 0.0024237200000000, -0.0008751500000000, 0.0042057800000000 ] - [ -0.0024760900000000, 0.0013058100000000, 0.0041195400000000 ] - [ -0.0021514100000000, -0.0029678200000000, -0.0016039800000000 ] - [ 0.0007537600000000, -0.0001105100000000, 0.0020457200000000 ] - [ -0.0033042600000000, -0.0000583100000000, -0.0031159200000000 ] - [ 0.0004290500000000, -0.0000589000000000, 0.0022155600000000 ] - [ -0.0014945000000000, 0.0033470900000000, -0.0016039800000000 ] - [ -0.0004725900000000, -0.0005975200000000, 0.0020457200000000 ] - [ 0.0036459100000000, -0.0003792700000000, -0.0016039800000000 ] - [ -0.0002811800000000, 0.0007080300000000, 0.0020457200000000 ] - [ -0.0007191100000000, 0.0011396200000000, -0.0019286200000000 ] - [ 0.0001640400000000, 0.0004697000000000, 0.0013784800000000 ] - [ 0.0017026300000000, -0.0028324200000000, -0.0031159200000000 ] - [ -0.0001635200000000, 0.0004010100000000, 0.0022155600000000 ] - [ -0.0076381700000000, 0.0168905900000000, 0.0155118100000000 ] - [ -0.0003979200000000, 0.0003309600000000, 0.0020862500000000 ] - [ 0.0005887600000000, 0.0013031900000000, -0.0014909900000000 ] - [ 0.0002867100000000, 0.0005427300000000, 0.0010876700000000 ] - [ -0.0019697700000000, -0.0016614300000000, 0.0042057800000000 ] - [ 0.0023689100000000, 0.0014914600000000, 0.0041195400000000 ] - [ 0.0184467600000000, -0.0018304500000000, 0.0155118100000000 ] - [ 0.0004855800000000, 0.0001791300000000, 0.0020862500000000 ] - [ 0.0114105400000000, 0.0196718100000000, 0.0219579700000000 ] - [ -0.0002395400000000, 0.0007721900000000, 0.0018635800000000 ] - [ 0.0113310200000000, -0.0197177200000000, 0.0219579700000000 ] - [ 0.0007885100000000, -0.0001786500000000, 0.0018635800000000 ] - [ -0.0004539600000000, 0.0025365800000000, 0.0042057800000000 ] - [ 0.0001071800000000, -0.0027972600000000, 0.0041195400000000 ] - [ -0.0108085900000000, -0.0150601400000000, 0.0155118100000000 ] - [ -0.0000876600000000, -0.0005100900000000, 0.0020862500000000 ] - [ 0.0013464900000000, 0.0000529600000000, -0.0019286200000000 ] - [ 0.0003247600000000, -0.0003769100000000, 0.0013784800000000 ] - [ -0.0227415600000000, 0.0000459100000000, 0.0219579700000000 ] - [ -0.0005489700000000, -0.0005935400000000, 0.0018635800000000 ] - [ -0.0006956200000000, 0.0003148600000000, -0.0072024600000000 ] - [ 0.0001764400000000, 0.0002477900000000, 0.0033177800000000 ] - [ 0.0006204900000000, 0.0004450000000000, -0.0072024600000000 ] - [ 0.0001263700000000, -0.0002767000000000, 0.0033177800000000 ] - [ -0.0006273800000000, -0.0011925800000000, -0.0019286200000000 ] - [ -0.0004887900000000, -0.0000927900000000, 0.0013784800000000 ] - [ 0.0038303700000000, -0.0001156300000000, -0.0028548000000000 ] - [ -0.0007798400000000, 0.0001866000000000, 0.0022973000000000 ] - [ -0.0018150500000000, 0.0033750100000000, -0.0028548000000000 ] - [ 0.0002283200000000, -0.0007686600000000, 0.0022973000000000 ] - [ 0.0008342200000000, -0.0011614800000000, -0.0014909900000000 ] - [ 0.0003266600000000, -0.0005196700000000, 0.0010876700000000 ] - [ -0.0036725300000000, 0.0001796500000000, -0.0003024700000000 ] - [ 0.0003817700000000, -0.0004323500000000, 0.0019560800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5563011800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049506800000000 ] - [ -0.0014229800000000, -0.0001417200000000, -0.0014909900000000 ] - [ -0.0006133800000000, -0.0000230700000000, 0.0010876700000000 ] - [ 0.0019918500000000, 0.0030906800000000, -0.0003024700000000 ] - [ -0.0005653100000000, -0.0001144500000000, 0.0019560800000000 ] - [ 0.0000751400000000, -0.0007598600000000, -0.0072024600000000 ] - [ -0.0003028100000000, 0.0000289000000000, 0.0033177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018384600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018449700000000 ] - [ -0.0020153200000000, -0.0032593900000000, -0.0028548000000000 ] - [ 0.0005515200000000, 0.0005820600000000, 0.0022973000000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0008771400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026477900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016514600000000 ] - [ -0.0001357100000000, -0.0012672600000000, -0.0067758600000000 ] - [ 0.0000377100000000, -0.0001543900000000, 0.0016966500000000 ] - [ 0.0011653400000000, 0.0005161000000000, -0.0067758600000000 ] - [ 0.0001148500000000, 0.0001098600000000, 0.0016966500000000 ] - [ -0.0011572400000000, 0.0000953300000000, 0.0018113800000000 ] - [ 0.0020151500000000, -0.0001591600000000, 0.0018785000000000 ] - [ 0.0006611800000000, 0.0009545300000000, 0.0018113800000000 ] - [ -0.0011454100000000, -0.0016655900000000, 0.0018785000000000 ] - [ 0.0004960600000000, -0.0010498700000000, 0.0018113800000000 ] - [ -0.0008697400000000, 0.0018247500000000, 0.0018785000000000 ] - [ -0.0010296300000000, 0.0007511600000000, -0.0067758600000000 ] - [ -0.0001525600000000, 0.0000445400000000, 0.0016966500000000 ] - [ -0.0004731400000000, -0.0008096700000000, -0.0055781000000000 ] - [ 0.0000852700000000, -0.0001742200000000, 0.0034257300000000 ] - [ -0.0004320700000000, -0.0134015200000000, 0.0005371600000000 ] - [ 0.0003047500000000, -0.0000280400000000, 0.0039708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1671197000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020210900000000 ] - [ 0.0009377600000000, -0.0000049200000000, -0.0055781000000000 ] - [ 0.0001082500000000, 0.0001609600000000, 0.0034257300000000 ] - [ -0.0113900300000000, 0.0070749500000000, 0.0005371600000000 ] - [ -0.0001766600000000, -0.0002499000000000, 0.0039708300000000 ] - [ 0.0118221000000000, 0.0063265800000000, 0.0005371600000000 ] - [ -0.0001280900000000, 0.0002779500000000, 0.0039708300000000 ] - [ -0.0004646200000000, 0.0008145900000000, -0.0055781000000000 ] - [ -0.0001935200000000, 0.0000132600000000, 0.0034257300000000 ] - [ 0.0121747800000000, -0.0073636300000000, 0.0020223000000000 ] - [ 0.0002012300000000, 0.0007921900000000, 0.0046050200000000 ] - [ 0.0004000500000000, -0.0006320400000000, -0.0075021800000000 ] - [ 0.0005214200000000, -0.0000219800000000, 0.0039695000000000 ] - [ 0.0002897000000000, 0.0142254900000000, 0.0020223000000000 ] - [ -0.0007866700000000, -0.0002218300000000, 0.0046050200000000 ] - [ 0.0003473400000000, 0.0006624800000000, -0.0075021800000000 ] - [ -0.0002416800000000, 0.0004625500000000, 0.0039695000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003721900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020887400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2764895900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047432000000000 ] - [ -0.0124644900000000, -0.0068618500000000, 0.0020223000000000 ] - [ 0.0005854400000000, -0.0005703600000000, 0.0046050200000000 ] - [ -0.0007473900000000, -0.0000304400000000, -0.0075021800000000 ] - [ -0.0002797400000000, -0.0004405700000000, 0.0039695000000000 ] - [ -0.0018346500000000, -0.0024959400000000, 0.0035037400000000 ] - [ 0.0000410600000000, 0.0007513600000000, -0.0018409500000000 ] - [ -0.0014510300000000, 0.0028544300000000, 0.0006686100000000 ] - [ 0.0000424900000000, -0.0009536000000000, -0.0015825500000000 ] - [ -0.0028456700000000, 0.0012226800000000, -0.0042659100000000 ] - [ 0.0020549000000000, -0.0009574000000000, -0.0041880300000000 ] - [ 0.0020191900000000, 0.0023665100000000, 0.0016627000000000 ] - [ -0.0008959900000000, -0.0004989700000000, -0.0020026600000000 ] - [ 0.0030788700000000, -0.0003408900000000, 0.0035037400000000 ] - [ -0.0006712200000000, -0.0003401200000000, -0.0018409500000000 ] - [ 0.0010398600000000, -0.0029319300000000, 0.0016627000000000 ] - [ 0.0000158700000000, 0.0010254400000000, -0.0020026600000000 ] - [ -0.0030590500000000, 0.0005654200000000, 0.0016627000000000 ] - [ 0.0008801200000000, -0.0005264700000000, -0.0020026600000000 ] - [ 0.0005126600000000, -0.0005190900000000, 0.0017271200000000 ] - [ -0.0003742600000000, 0.0001473800000000, -0.0015901900000000 ] - [ -0.0012442200000000, 0.0028368200000000, 0.0035037400000000 ] - [ 0.0006301700000000, -0.0004112400000000, -0.0018409500000000 ] - [ 0.0069078600000000, -0.0166326800000000, -0.0156078800000000 ] - [ -0.0002402100000000, -0.0002035300000000, -0.0022982700000000 ] - [ -0.0004602600000000, -0.0000178300000000, 0.0009427400000000 ] - [ -0.0001580800000000, 0.0007410700000000, -0.0016256000000000 ] - [ 0.0024817100000000, 0.0018530800000000, -0.0042659100000000 ] - [ -0.0018565800000000, -0.0013008900000000, -0.0041880300000000 ] - [ -0.0178582500000000, 0.0023339600000000, -0.0156078800000000 ] - [ -0.0000561500000000, 0.0003097900000000, -0.0022982700000000 ] - [ -0.0125705100000000, -0.0191732700000000, -0.0227354300000000 ] - [ -0.0008078000000000, -0.0000153200000000, -0.0024019300000000 ] - [ -0.0103192900000000, 0.0204730200000000, -0.0227354300000000 ] - [ 0.0003906400000000, 0.0007072400000000, -0.0024019300000000 ] - [ 0.0003639600000000, -0.0030757600000000, -0.0042659100000000 ] - [ -0.0001983100000000, 0.0022582900000000, -0.0041880300000000 ] - [ 0.0109503900000000, 0.0142987200000000, -0.0156078800000000 ] - [ 0.0002963600000000, -0.0001062700000000, -0.0022982700000000 ] - [ -0.0007058700000000, -0.0001844300000000, 0.0017271200000000 ] - [ 0.0003147600000000, 0.0002504200000000, -0.0015901900000000 ] - [ 0.0228898000000000, -0.0012997400000000, -0.0227354300000000 ] - [ 0.0004171700000000, -0.0006919200000000, -0.0024019300000000 ] - [ 0.0008192400000000, 0.0002338600000000, 0.0071421900000000 ] - [ -0.0000867200000000, 0.0003010600000000, -0.0033822800000000 ] - [ -0.0002070900000000, -0.0008264100000000, 0.0071421900000000 ] - [ 0.0003040800000000, -0.0000754300000000, -0.0033822800000000 ] - [ 0.0001932200000000, 0.0007035200000000, 0.0017271200000000 ] - [ 0.0000594900000000, -0.0003978100000000, -0.0015901900000000 ] - [ -0.0036792100000000, 0.0007233900000000, 0.0028870300000000 ] - [ 0.0009225200000000, 0.0004233300000000, -0.0022558000000000 ] - [ 0.0012131300000000, -0.0035479900000000, 0.0028870300000000 ] - [ -0.0008278800000000, 0.0005872600000000, -0.0022558000000000 ] - [ 0.0002146900000000, 0.0004075100000000, 0.0009427400000000 ] - [ 0.0007208200000000, -0.0002336400000000, -0.0016256000000000 ] - [ 0.0031975200000000, -0.0001705900000000, 0.0006686100000000 ] - [ -0.0008470900000000, 0.0004400100000000, -0.0015825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5642575900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036655500000000 ] - [ 0.0002455700000000, -0.0003896800000000, 0.0009427400000000 ] - [ -0.0005627500000000, -0.0005074300000000, -0.0016256000000000 ] - [ -0.0017464900000000, -0.0026838400000000, 0.0006686100000000 ] - [ 0.0008046000000000, 0.0005136000000000, -0.0015825500000000 ] - [ -0.0006121500000000, 0.0005925500000000, 0.0071421900000000 ] - [ -0.0002173600000000, -0.0002256300000000, -0.0033822800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005594500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005534000000000 ] - [ 0.0024660800000000, 0.0028245900000000, 0.0028870300000000 ] - [ -0.0000946400000000, -0.0010105900000000, -0.0022558000000000 ]