# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1ae8bd30-c125-42fc-a007-738e497c3939/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 ZnS / P3m1 (156) / materials id 554503](https://mdr.nims.go.jp/datasets/77bb2192-13f1-4885-8525-4f3ab093fe0f) ## 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: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.786379540000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.893189780000000, 3.279100880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 86.595850870000007 ] # c points: - symbol: Zn # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.071477280000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.928600050000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.321428450000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.678547200000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.142881630000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.357137770000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.392843840000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.464254620000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.571361560000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214295890000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.964332000000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.642866510000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.785728760000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.285718500000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.607110420000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.535663280000000 ] mass: 65.380000 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714289780000000 ] mass: 65.380000 - symbol: Zn # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.821419760000000 ] mass: 65.380000 - symbol: Zn # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.107180720000000 ] mass: 65.380000 - symbol: Zn # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.035778130000000 ] mass: 65.380000 - symbol: Zn # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.892847230000000 ] mass: 65.380000 - symbol: Zn # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.178589070000000 ] mass: 65.380000 - symbol: Zn # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750048220000000 ] mass: 65.380000 - symbol: Zn # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499960920000000 ] mass: 65.380000 - symbol: Zn # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.857108650000000 ] mass: 65.380000 - symbol: Zn # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428552040000000 ] mass: 65.380000 - symbol: Zn # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250007530000000 ] mass: 65.380000 - symbol: Zn # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000091800000000 ] mass: 65.380000 - symbol: S # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.205365800000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.348206090000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.812499040000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.776808290000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.455327310000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.026853950000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.633930880000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.848189880000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.419621330000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.526736020000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.098252470000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.133955170000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312496550000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.666666670000000, 0.333333330000000, 0.169658560000000 ] mass: 32.065000 - symbol: S # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.598132580000000 ] mass: 32.065000 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.883875500000000 ] mass: 32.065000 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.241074570000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705315890000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.991153740000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.919667030000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.669627800000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.741110970000000 ] mass: 32.065000 - symbol: S # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.955358130000000 ] mass: 32.065000 - symbol: S # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.276785850000000 ] mass: 32.065000 - symbol: S # 53 coordinates: [ 0.666666670000000, 0.333333330000000, 0.062551550000000 ] mass: 32.065000 - symbol: S # 54 coordinates: [ 0.666666670000000, 0.333333330000000, 0.383914310000000 ] mass: 32.065000 - symbol: S # 55 coordinates: [ 0.666666670000000, 0.333333330000000, 0.491031300000000 ] mass: 32.065000 - symbol: S # 56 coordinates: [ 0.000000000000000, 0.000000000000000, 0.562437820000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.264104532954454, 0.152480823536312, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.304961645461789, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.011547897387153 ] # c*unit_cell: lattice: - [ 3.786379540000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.893189780000000, 3.279100880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 86.595850870000007 ] # c points: - symbol: Zn # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.071477280000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.928600050000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.321428450000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.678547200000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.142881630000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.357137770000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.392843840000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.464254620000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.571361560000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214295890000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.964332000000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.642866510000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.785728760000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.285718500000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.607110420000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.535663280000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714289780000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.821419760000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.107180720000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.035778130000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.892847230000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.178589070000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750048220000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499960920000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.857108650000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428552040000000 ] mass: 65.380000 reduced_to: 26 - symbol: Zn # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250007530000000 ] mass: 65.380000 reduced_to: 27 - symbol: Zn # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000091800000000 ] mass: 65.380000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.205365800000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.348206090000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.812499040000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.776808290000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.455327310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.026853950000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.633930880000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.848189880000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.419621330000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.526736020000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.098252470000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.133955170000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312496550000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.666666670000000, 0.333333330000000, 0.169658560000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.598132580000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.883875500000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.241074570000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705315890000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.991153740000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.919667030000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.669627800000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.741110970000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.955358130000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.276785850000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.666666670000000, 0.333333330000000, 0.062551550000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.666666670000000, 0.333333330000000, 0.383914310000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.666666670000000, 0.333333330000000, 0.491031300000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.000000000000000, 0.000000000000000, 0.562437820000000 ] mass: 32.065000 reduced_to: 56supercell: lattice: - [ 3.786379540000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.893189780000000, 3.279100880000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 86.595850870000007 ] # c points: - symbol: Zn # 1 coordinates: [ 0.333333330000000, 0.666666670000000, 0.071477280000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.928600050000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.321428450000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.678547200000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.142881630000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.357137770000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.392843840000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.464254620000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.571361560000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.214295890000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.964332000000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.642866510000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.785728760000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.285718500000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.607110420000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.535663280000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.714289780000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.821419760000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.107180720000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.035778130000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.892847230000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.178589070000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750048220000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499960920000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.857108650000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.428552040000000 ] mass: 65.380000 reduced_to: 26 - symbol: Zn # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250007530000000 ] mass: 65.380000 reduced_to: 27 - symbol: Zn # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000091800000000 ] mass: 65.380000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.333333330000000, 0.666666670000000, 0.205365800000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.348206090000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.812499040000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.000000000000000, 0.000000000000000, 0.776808290000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.000000000000000, 0.000000000000000, 0.455327310000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.026853950000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.633930880000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.848189880000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.333333330000000, 0.666666670000000, 0.419621330000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.526736020000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.333333330000000, 0.666666670000000, 0.098252470000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.000000000000000, 0.000000000000000, 0.133955170000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312496550000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.666666670000000, 0.333333330000000, 0.169658560000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.598132580000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.000000000000000, 0.883875500000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.000000000000000, 0.000000000000000, 0.241074570000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705315890000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.991153740000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.666666670000000, 0.333333330000000, 0.919667030000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.669627800000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.333333330000000, 0.666666670000000, 0.741110970000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.955358130000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.666666670000000, 0.333333330000000, 0.276785850000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.666666670000000, 0.333333330000000, 0.062551550000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.666666670000000, 0.333333330000000, 0.383914310000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.666666670000000, 0.333333330000000, 0.491031300000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.000000000000000, 0.000000000000000, 0.562437820000000 ] mass: 32.065000 reduced_to: 56displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0616628700000000, 0.0010002700000000, 0.0007069600000000 ] - [ -0.0000170300000000, 0.0000100000000000, 0.0002710300000000 ] - [ 0.0000142500000000, -0.0000078900000000, -0.0004512700000000 ] - [ -0.0000158800000000, 0.0000107500000000, -0.0002124800000000 ] - [ -0.0001082500000000, -0.0000073600000000, -0.0001160600000000 ] - [ 0.0000144000000000, -0.0000076600000000, -0.0002878500000000 ] - [ 0.0000143400000000, -0.0000076400000000, -0.0006019800000000 ] - [ 0.0000139400000000, -0.0000072000000000, -0.0004686700000000 ] - [ 0.0000153800000000, -0.0000078800000000, -0.0004497900000000 ] - [ 0.0000126400000000, -0.0000073800000000, -0.0002499300000000 ] - [ -0.0000244800000000, 0.0000094600000000, 0.0000367800000000 ] - [ -0.0000165500000000, 0.0000091900000000, -0.0007449500000000 ] - [ 0.0000139100000000, -0.0000074800000000, -0.0002467700000000 ] - [ 0.0000148000000000, -0.0000074100000000, -0.0003724700000000 ] - [ 0.0000140600000000, -0.0000078400000000, -0.0005386600000000 ] - [ 0.0000138900000000, -0.0000073300000000, -0.0008078000000000 ] - [ -0.0000157800000000, 0.0000092500000000, -0.0001716600000000 ] - [ 0.0000146100000000, -0.0000084200000000, -0.0002067400000000 ] - [ -0.0001658000000000, -0.0000003800000000, -0.0003066300000000 ] - [ -0.0001650600000000, -0.0000021300000000, 0.0002046300000000 ] - [ 0.0000133600000000, -0.0000074200000000, -0.0001621900000000 ] - [ 0.0000083100000000, -0.0000080900000000, -0.0000821400000000 ] - [ 0.0000150200000000, -0.0000080800000000, -0.0005529500000000 ] - [ 0.0000157600000000, -0.0000084600000000, -0.0006405000000000 ] - [ 0.0000140600000000, -0.0000072900000000, -0.0003785000000000 ] - [ 0.0000143600000000, -0.0000081200000000, -0.0007832200000000 ] - [ 0.0000145500000000, -0.0000080200000000, -0.0002008000000000 ] - [ -0.0001076800000000, -0.0000088100000000, 0.0000229000000000 ] - [ -0.0000024800000000, 0.0000046200000000, 0.0006020600000000 ] - [ -0.0000064200000000, 0.0000045100000000, 0.0002499000000000 ] - [ -0.0000065500000000, 0.0000049000000000, 0.0003655700000000 ] - [ -0.0000068200000000, 0.0000048200000000, -0.0001604200000000 ] - [ -0.0000064100000000, 0.0000046300000000, 0.0000553600000000 ] - [ -0.0008720600000000, 0.0000037200000000, 0.0005298400000000 ] - [ 0.0000056800000000, -0.0000020900000000, -0.0001820300000000 ] - [ -0.0000066800000000, 0.0000046300000000, 0.0006018600000000 ] - [ -0.0000063900000000, 0.0000045100000000, 0.0000358700000000 ] - [ -0.0000067600000000, 0.0000046200000000, -0.0000176000000000 ] - [ 0.0018307300000000, 0.0000133900000000, 0.0005194600000000 ] - [ 0.0004603600000000, 0.0000040000000000, 0.0005585000000000 ] - [ -0.0000058900000000, 0.0000045700000000, 0.0002590500000000 ] - [ 0.0000356300000000, 0.0000047900000000, 0.0006688500000000 ] - [ -0.0000065100000000, 0.0000048800000000, 0.0001344300000000 ] - [ -0.0000060900000000, 0.0000047800000000, 0.0005030100000000 ] - [ -0.0000057600000000, 0.0000045000000000, 0.0005219900000000 ] - [ 0.0000045900000000, -0.0000014100000000, 0.0003246100000000 ] - [ -0.0000677200000000, 0.0000046700000000, 0.0001770900000000 ] - [ 0.0000042900000000, -0.0000018700000000, 0.0004864700000000 ] - [ 0.0000047900000000, -0.0000020700000000, -0.0000967600000000 ] - [ -0.0000062400000000, 0.0000046500000000, 0.0000927800000000 ] - [ 0.0000027400000000, -0.0000016300000000, 0.0004321900000000 ] - [ -0.0000067600000000, 0.0000048800000000, 0.0003518500000000 ] - [ 0.0607437900000000, -0.0009919100000000, 0.0002611500000000 ] - [ -0.0000066200000000, 0.0000049400000000, 0.0003349900000000 ] - [ -0.0000063300000000, 0.0000047900000000, 0.0002196600000000 ] - [ -0.0000064300000000, 0.0000045500000000, -0.0000380200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0967652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013632600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006143500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010814400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007836600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004678900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006332100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005287400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008622300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025278400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009080000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010144700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006990600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002858100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008725000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004529700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007679200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011462400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009886000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004428300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010085600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0574652300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009302800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005777900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005272900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009358600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005856200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011271700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009629000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006055000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006585000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0340434300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007131200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008312200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010879800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0937689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008200300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015289800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012805300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013544900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016786700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015431500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013324300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010551300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018292800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016146300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018895800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012536000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012527300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011769100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016336800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017135400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018531800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012713600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012951800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014024600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011018500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010683200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010301000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0536735300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017368900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011907100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012881600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015474300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009493400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0318948700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014029900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012518500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010250600000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000132100000000, -0.0000066600000000, 0.0000444300000000 ] - [ -0.0613392200000000, -0.0009922100000000, 0.0010897200000000 ] - [ 0.0000125800000000, -0.0000070100000000, -0.0004482200000000 ] - [ -0.0000175400000000, 0.0000120800000000, -0.0002329400000000 ] - [ 0.0000125300000000, -0.0000064200000000, -0.0001101500000000 ] - [ 0.0000127100000000, -0.0000065100000000, -0.0003064900000000 ] - [ 0.0000138300000000, -0.0000065700000000, -0.0005843300000000 ] - [ 0.0000129500000000, -0.0000061500000000, -0.0004681100000000 ] - [ 0.0000136400000000, -0.0000071400000000, -0.0004637700000000 ] - [ 0.0000123200000000, -0.0000063700000000, -0.0002388900000000 ] - [ -0.0001879500000000, 0.0000027800000000, 0.0000316900000000 ] - [ -0.0000176900000000, 0.0000103700000000, -0.0007486300000000 ] - [ 0.0000121500000000, -0.0000064700000000, -0.0002811700000000 ] - [ 0.0000122900000000, -0.0000063800000000, -0.0003748600000000 ] - [ 0.0000129400000000, -0.0000066600000000, -0.0005322200000000 ] - [ 0.0000118000000000, -0.0000060400000000, -0.0007917700000000 ] - [ -0.0000166500000000, 0.0000106400000000, -0.0001645900000000 ] - [ 0.0000136800000000, -0.0000075300000000, -0.0001929900000000 ] - [ 0.0000131300000000, -0.0000070800000000, -0.0003119800000000 ] - [ 0.0000082400000000, -0.0000062900000000, 0.0001941500000000 ] - [ -0.0008934100000000, -0.0000079000000000, -0.0001267700000000 ] - [ 0.0000136600000000, -0.0000073300000000, -0.0000821400000000 ] - [ 0.0000136700000000, -0.0000071100000000, -0.0005779000000000 ] - [ 0.0000142100000000, -0.0000074900000000, -0.0006256700000000 ] - [ 0.0000738900000000, -0.0000070400000000, -0.0003704200000000 ] - [ 0.0000129700000000, -0.0000069100000000, -0.0007837000000000 ] - [ 0.0000140000000000, -0.0000070400000000, -0.0002280200000000 ] - [ 0.0000741600000000, -0.0000074300000000, -0.0000016900000000 ] - [ -0.0000073300000000, 0.0000053900000000, 0.0005954100000000 ] - [ -0.0000071100000000, 0.0000054300000000, 0.0002303100000000 ] - [ -0.0000082400000000, 0.0000057900000000, 0.0003686900000000 ] - [ -0.0000082000000000, 0.0000059900000000, -0.0002107000000000 ] - [ -0.0000069600000000, 0.0000055500000000, 0.0000463200000000 ] - [ 0.0000025500000000, 0.0000055500000000, 0.0004857600000000 ] - [ 0.0000037500000000, -0.0000007800000000, -0.0001780900000000 ] - [ -0.0000152400000000, 0.0000054700000000, 0.0006137900000000 ] - [ -0.0000076600000000, 0.0000055800000000, 0.0000287600000000 ] - [ -0.0000077300000000, 0.0000056400000000, -0.0000157700000000 ] - [ -0.0000075100000000, 0.0000055300000000, 0.0006321400000000 ] - [ -0.0000071000000000, 0.0000052500000000, 0.0005660700000000 ] - [ -0.0000073400000000, 0.0000054000000000, 0.0002688600000000 ] - [ -0.0000079000000000, 0.0000059600000000, 0.0006495300000000 ] - [ -0.0000075700000000, 0.0000059700000000, 0.0001444400000000 ] - [ 0.0001660300000000, 0.0000004600000000, 0.0005198400000000 ] - [ -0.0000069100000000, 0.0000052700000000, 0.0005273200000000 ] - [ 0.0000035500000000, -0.0000004700000000, 0.0003353000000000 ] - [ 0.0003166300000000, 0.0000063400000000, 0.0001887200000000 ] - [ 0.0599803700000000, 0.0009993100000000, -0.0001073700000000 ] - [ 0.0000034400000000, -0.0000009600000000, -0.0001088500000000 ] - [ -0.0000076100000000, 0.0000061500000000, 0.0001028000000000 ] - [ 0.0017506100000000, -0.0000092500000000, 0.0002992200000000 ] - [ -0.0000080300000000, 0.0000058600000000, 0.0003134400000000 ] - [ -0.0000071100000000, 0.0000058400000000, 0.0008822700000000 ] - [ -0.0000078900000000, 0.0000063500000000, 0.0003246600000000 ] - [ -0.0000081400000000, 0.0000055700000000, 0.0002103000000000 ] - [ -0.0000074900000000, 0.0000056800000000, -0.0000257400000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0962400200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008568900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009641400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004791000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006157300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008271200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003354000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008350500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005407100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002867800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009094600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007410300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013124800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023602600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009910600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005354500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002870200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008882700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004928900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008546400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006839200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010237100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005816400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005107600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010867300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004371600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005559900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009286400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012148500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007066700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008690600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335481200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0574354800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001663800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008672000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010793800000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0941107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015335500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013074300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012069900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013762000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016755700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015493900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015252500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013350500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027609500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013508900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014615500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018866700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012599800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013961600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011632800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016602300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017182100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018764500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012705300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012488100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016426700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011375500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016290900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008966500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016002200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013476800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002507400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016387500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014230300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012721100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0321138000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541993500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019263100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014234700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012835800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010365900000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000137700000000, -0.0000077200000000, 0.0000429700000000 ] - [ -0.0000181400000000, 0.0000099700000000, 0.0002696000000000 ] - [ -0.0615686000000000, 0.0009978000000000, 0.0001918600000000 ] - [ -0.0000174100000000, 0.0000110400000000, -0.0002288500000000 ] - [ 0.0000127700000000, -0.0000074300000000, -0.0001097000000000 ] - [ -0.0001681600000000, 0.0000001100000000, -0.0002923500000000 ] - [ -0.0001083400000000, -0.0000077400000000, -0.0005860400000000 ] - [ 0.0000121900000000, -0.0000072000000000, -0.0004655600000000 ] - [ 0.0000140400000000, -0.0000081900000000, -0.0004591900000000 ] - [ 0.0000061500000000, -0.0000073600000000, -0.0002405900000000 ] - [ -0.0000159900000000, 0.0000096600000000, 0.0000311500000000 ] - [ -0.0000173200000000, 0.0000093000000000, -0.0007448300000000 ] - [ 0.0000131700000000, -0.0000074800000000, -0.0002590800000000 ] - [ -0.0001683900000000, -0.0000022000000000, -0.0003764700000000 ] - [ 0.0000136400000000, -0.0000077200000000, -0.0005309700000000 ] - [ 0.0000137400000000, -0.0000069100000000, -0.0007947700000000 ] - [ -0.0000156600000000, 0.0000096900000000, -0.0001643200000000 ] - [ 0.0000143800000000, -0.0000085200000000, -0.0001950400000000 ] - [ 0.0000148400000000, -0.0000080000000000, -0.0003088300000000 ] - [ 0.0000136600000000, -0.0000073800000000, 0.0002055500000000 ] - [ 0.0000134200000000, -0.0000072200000000, -0.0001317700000000 ] - [ 0.0000136700000000, -0.0000083700000000, -0.0000824200000000 ] - [ 0.0000149300000000, -0.0000080700000000, -0.0005677500000000 ] - [ 0.0000142100000000, -0.0000085300000000, -0.0006305600000000 ] - [ 0.0000135000000000, -0.0000074600000000, -0.0003752200000000 ] - [ 0.0000070100000000, -0.0000078200000000, -0.0007802700000000 ] - [ -0.0001078000000000, -0.0000083700000000, -0.0002170700000000 ] - [ 0.0000143000000000, -0.0000083900000000, 0.0000070200000000 ] - [ -0.0000131600000000, 0.0000045200000000, 0.0005992400000000 ] - [ 0.0018382200000000, 0.0000132800000000, 0.0001053900000000 ] - [ -0.0000078400000000, 0.0000050200000000, 0.0003637700000000 ] - [ -0.0000076500000000, 0.0000049700000000, -0.0001775100000000 ] - [ -0.0000030700000000, 0.0000045000000000, 0.0000516200000000 ] - [ -0.0000075800000000, 0.0000046700000000, 0.0005070700000000 ] - [ 0.0000047700000000, -0.0000017600000000, -0.0001748400000000 ] - [ -0.0000077800000000, 0.0000047500000000, 0.0006087800000000 ] - [ 0.0000353700000000, 0.0000045800000000, 0.0000379100000000 ] - [ -0.0000069900000000, 0.0000046400000000, -0.0000184000000000 ] - [ -0.0000069700000000, 0.0000046800000000, 0.0006376800000000 ] - [ -0.0000066100000000, 0.0000042000000000, 0.0005693800000000 ] - [ 0.0606813800000000, -0.0009913900000000, -0.0003347200000000 ] - [ -0.0000079900000000, 0.0000049400000000, 0.0006552700000000 ] - [ -0.0000069200000000, 0.0000049100000000, 0.0001433000000000 ] - [ -0.0000066700000000, 0.0000044600000000, 0.0005058400000000 ] - [ -0.0000658000000000, 0.0000044600000000, 0.0005287300000000 ] - [ 0.0000047000000000, -0.0000016200000000, 0.0003326900000000 ] - [ -0.0000073700000000, 0.0000045700000000, 0.0001921000000000 ] - [ 0.0000040900000000, -0.0000017400000000, 0.0004947800000000 ] - [ 0.0000041600000000, -0.0000022100000000, -0.0001013800000000 ] - [ -0.0000068300000000, 0.0000051400000000, 0.0001082200000000 ] - [ 0.0000046300000000, -0.0000018500000000, 0.0004420700000000 ] - [ -0.0008737500000000, 0.0000038200000000, 0.0003286600000000 ] - [ -0.0000068600000000, 0.0000049100000000, 0.0008764500000000 ] - [ 0.0004588900000000, 0.0000048500000000, 0.0003273600000000 ] - [ -0.0000070200000000, 0.0000045700000000, 0.0002068200000000 ] - [ -0.0000069500000000, 0.0000046400000000, -0.0000228100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011016000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0972894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009470800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005976300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006062000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006335800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008377100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011048300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008114100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007525300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012645200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009125300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005213600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006909500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003147000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009990600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011077500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0570133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006954100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004926800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012408100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010752400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003882400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005143900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0334628600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009385100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005943300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008473600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010962600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001928600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006739400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010929600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0929811200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013245800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015438900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014817500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010813800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018616100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013874400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032077300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012196800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009058100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011465300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016695200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017264000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014029100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013835600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010753600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0540160700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011275400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017245200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011711000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014914900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013608000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015305200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011834100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015579600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012716600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009985500000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000148100000000, -0.0000066800000000, 0.0000307300000000 ] - [ -0.0000172900000000, 0.0000111200000000, 0.0002676700000000 ] - [ 0.0000137500000000, -0.0000068100000000, -0.0004594400000000 ] - [ -0.0617006700000000, -0.0009950500000000, 0.0005802800000000 ] - [ 0.0000140200000000, -0.0000062200000000, -0.0001208700000000 ] - [ 0.0000138500000000, -0.0000065600000000, -0.0002882700000000 ] - [ 0.0000145300000000, -0.0000066800000000, -0.0006038800000000 ] - [ 0.0000131300000000, -0.0000061300000000, -0.0004715000000000 ] - [ 0.0000103800000000, -0.0000068600000000, -0.0004536700000000 ] - [ 0.0000137300000000, -0.0000062800000000, -0.0002553300000000 ] - [ -0.0000148700000000, 0.0000105100000000, 0.0000388400000000 ] - [ -0.0001967300000000, 0.0000051700000000, -0.0007483900000000 ] - [ 0.0000088500000000, -0.0000064700000000, -0.0002410200000000 ] - [ 0.0000139100000000, -0.0000064100000000, -0.0003713200000000 ] - [ -0.0001250000000000, -0.0000064100000000, -0.0005375700000000 ] - [ 0.0000100500000000, -0.0000063500000000, -0.0008098900000000 ] - [ -0.0001844900000000, 0.0000026900000000, -0.0001667300000000 ] - [ 0.0000142800000000, -0.0000074100000000, -0.0002107200000000 ] - [ 0.0000149300000000, -0.0000070100000000, -0.0003156900000000 ] - [ 0.0000133000000000, -0.0000062900000000, 0.0002104600000000 ] - [ 0.0000134100000000, -0.0000062600000000, -0.0001605500000000 ] - [ 0.0000151800000000, -0.0000072100000000, -0.0000839200000000 ] - [ 0.0000751500000000, -0.0000070000000000, -0.0005569600000000 ] - [ 0.0000145500000000, -0.0000073900000000, -0.0006430000000000 ] - [ 0.0000138100000000, -0.0000062900000000, -0.0003840500000000 ] - [ 0.0000134500000000, -0.0000070900000000, -0.0007878500000000 ] - [ 0.0000147300000000, -0.0000069400000000, -0.0002075300000000 ] - [ 0.0000141000000000, -0.0000073900000000, 0.0000195800000000 ] - [ -0.0000069100000000, 0.0000056600000000, 0.0006015100000000 ] - [ -0.0000066300000000, 0.0000054800000000, 0.0002550100000000 ] - [ -0.0000064700000000, 0.0000059200000000, 0.0003590300000000 ] - [ 0.0000030000000000, 0.0000059800000000, -0.0001589500000000 ] - [ -0.0000068000000000, 0.0000056000000000, 0.0000539900000000 ] - [ -0.0000068300000000, 0.0000055700000000, 0.0005273900000000 ] - [ -0.0008653700000000, -0.0000003600000000, -0.0001862000000000 ] - [ -0.0000068100000000, 0.0000057300000000, 0.0006042600000000 ] - [ -0.0000062700000000, 0.0000054900000000, 0.0000328800000000 ] - [ -0.0000074200000000, 0.0000056500000000, -0.0000217600000000 ] - [ -0.0000062100000000, 0.0000055600000000, 0.0006507000000000 ] - [ -0.0000068600000000, 0.0000054000000000, 0.0005498600000000 ] - [ -0.0000068400000000, 0.0000055900000000, 0.0002519200000000 ] - [ -0.0000070800000000, 0.0000059500000000, 0.0006643200000000 ] - [ -0.0000446800000000, 0.0000060200000000, 0.0001362500000000 ] - [ -0.0000060700000000, 0.0000056800000000, 0.0005012700000000 ] - [ -0.0000063600000000, 0.0000055300000000, 0.0005201500000000 ] - [ 0.0017745500000000, -0.0000089900000000, 0.0001903300000000 ] - [ -0.0000065400000000, 0.0000057900000000, 0.0001714400000000 ] - [ 0.0000043100000000, -0.0000007900000000, 0.0004790600000000 ] - [ 0.0608288400000000, 0.0009979600000000, -0.0007020700000000 ] - [ 0.0003158500000000, 0.0000066300000000, 0.0000847300000000 ] - [ 0.0000049700000000, -0.0000005700000000, 0.0004320500000000 ] - [ -0.0000072900000000, 0.0000059000000000, 0.0003600800000000 ] - [ -0.0000068400000000, 0.0000059100000000, 0.0008603400000000 ] - [ -0.0000074300000000, 0.0000060100000000, 0.0003321300000000 ] - [ -0.0000070400000000, 0.0000057600000000, 0.0002166800000000 ] - [ -0.0000115700000000, 0.0000056600000000, -0.0000358300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013695500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006082300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0963830200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009344200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007692400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004653700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006351200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020679100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008244500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006914600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006234500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002406300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008608500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007462900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012625900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008796400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009801800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006901900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004200300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006835800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002764000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008713600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011077400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004628600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008050900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007013600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012138700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009966700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005271500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004019900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003713900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009618200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005354100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0572099300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005875700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009543800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001857600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008565300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010998200000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010365300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015309900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0932726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015409700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015308800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013339600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014336100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017223400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018821300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029400900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012839400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013778800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008657400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012387800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011491500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012686400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010575500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016551100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013253100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009528800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011170100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015965700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010897600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010378000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017152200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017366300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015527900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015464700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011618500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014370500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013963200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012678000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010287300000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001077400000000, -0.0000080200000000, 0.0000338900000000 ] - [ -0.0000172800000000, 0.0000100700000000, 0.0002684600000000 ] - [ 0.0000138100000000, -0.0000078900000000, -0.0004535700000000 ] - [ -0.0000160700000000, 0.0000108700000000, -0.0002243500000000 ] - [ -0.0616437600000000, 0.0010006300000000, 0.0006670300000000 ] - [ 0.0000148900000000, -0.0000073700000000, -0.0002992600000000 ] - [ 0.0000137700000000, -0.0000076900000000, -0.0006004600000000 ] - [ 0.0000132100000000, -0.0000070000000000, -0.0004671700000000 ] - [ 0.0000151000000000, -0.0000078600000000, -0.0004575700000000 ] - [ -0.0001090100000000, -0.0000074500000000, -0.0002530700000000 ] - [ -0.0000159900000000, 0.0000094900000000, 0.0000305200000000 ] - [ -0.0000170300000000, 0.0000092200000000, -0.0007516400000000 ] - [ 0.0000123900000000, -0.0000074600000000, -0.0002458400000000 ] - [ 0.0000127400000000, -0.0000073600000000, -0.0003743300000000 ] - [ 0.0000142800000000, -0.0000076100000000, -0.0005356000000000 ] - [ 0.0000135500000000, -0.0000069600000000, -0.0008042400000000 ] - [ -0.0000158100000000, 0.0000095600000000, -0.0001700100000000 ] - [ 0.0000145400000000, -0.0000083800000000, -0.0002002600000000 ] - [ -0.0001656300000000, -0.0000027500000000, -0.0003169100000000 ] - [ 0.0000069100000000, -0.0000072700000000, 0.0002178400000000 ] - [ 0.0000136300000000, -0.0000071200000000, -0.0001486900000000 ] - [ -0.0001659400000000, -0.0000006000000000, -0.0000760500000000 ] - [ 0.0000151300000000, -0.0000080500000000, -0.0005676700000000 ] - [ 0.0000148200000000, -0.0000083100000000, -0.0006399300000000 ] - [ 0.0000142400000000, -0.0000074700000000, -0.0003929600000000 ] - [ 0.0000146700000000, -0.0000081800000000, -0.0007907300000000 ] - [ 0.0000081100000000, -0.0000077800000000, -0.0002113800000000 ] - [ 0.0000136100000000, -0.0000083500000000, 0.0000067500000000 ] - [ 0.0004598800000000, 0.0000038500000000, 0.0005922800000000 ] - [ -0.0000066000000000, 0.0000042800000000, 0.0002470000000000 ] - [ -0.0000072200000000, 0.0000050800000000, 0.0003652700000000 ] - [ -0.0000069600000000, 0.0000050300000000, -0.0001421400000000 ] - [ -0.0000063700000000, 0.0000045000000000, 0.0000573200000000 ] - [ -0.0000129000000000, 0.0000044000000000, 0.0005642400000000 ] - [ 0.0000049200000000, -0.0000018600000000, -0.0001804800000000 ] - [ -0.0000077200000000, 0.0000044900000000, 0.0005826000000000 ] - [ -0.0000066900000000, 0.0000048100000000, 0.0000282500000000 ] - [ -0.0000067900000000, 0.0000041900000000, -0.0000214600000000 ] - [ -0.0008733100000000, 0.0000034400000000, 0.0006384900000000 ] - [ 0.0607395600000000, -0.0009926800000000, -0.0000669800000000 ] - [ -0.0000058800000000, 0.0000045800000000, 0.0002544000000000 ] - [ 0.0018346500000000, 0.0000136800000000, 0.0005253000000000 ] - [ -0.0000068700000000, 0.0000044600000000, 0.0001434200000000 ] - [ -0.0000065900000000, 0.0000039000000000, 0.0004926600000000 ] - [ 0.0000360400000000, 0.0000045700000000, 0.0005357500000000 ] - [ 0.0000046200000000, -0.0000014300000000, 0.0003288200000000 ] - [ -0.0000077200000000, 0.0000045600000000, 0.0001881200000000 ] - [ 0.0000044600000000, -0.0000018300000000, 0.0004939700000000 ] - [ 0.0000051200000000, -0.0000022900000000, -0.0000961400000000 ] - [ -0.0000068700000000, 0.0000050900000000, 0.0000920400000000 ] - [ 0.0000045500000000, -0.0000014000000000, 0.0004289100000000 ] - [ -0.0000036100000000, 0.0000044400000000, 0.0003430300000000 ] - [ -0.0000659300000000, 0.0000046700000000, 0.0008601100000000 ] - [ -0.0000068600000000, 0.0000055400000000, 0.0003234400000000 ] - [ -0.0000075000000000, 0.0000043900000000, 0.0002044100000000 ] - [ -0.0000065700000000, 0.0000046500000000, -0.0000254300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0012146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0960277900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004487500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005864900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010946500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006956000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002508900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008443100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024708900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008949900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005104200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008781600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010063000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005248000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012597000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004491900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337250100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0574009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009148000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005563900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006570700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006903200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010941200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0011641900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008176600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0937742400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013621500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015477600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015153900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010540000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018387400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012511700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031533200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009005000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012483700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014478900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018625100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010804800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014047800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008916600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010965700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015707000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016589000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010280700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004177700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0322238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0536420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011958500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015456300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015656000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014158100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012392400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010283300000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000152200000000, -0.0000076000000000, 0.0000346200000000 ] - [ -0.0000166800000000, 0.0000100900000000, 0.0002718500000000 ] - [ -0.0001666400000000, -0.0000025900000000, -0.0004527000000000 ] - [ -0.0000159100000000, 0.0000108600000000, -0.0002147800000000 ] - [ 0.0000151300000000, -0.0000071400000000, -0.0001162000000000 ] - [ -0.0616111000000000, 0.0009944600000000, 0.0003794200000000 ] - [ -0.0001663600000000, 0.0000001000000000, -0.0005918400000000 ] - [ 0.0000067100000000, -0.0000069400000000, -0.0004698300000000 ] - [ 0.0000166100000000, -0.0000077700000000, -0.0004469600000000 ] - [ 0.0000126400000000, -0.0000073000000000, -0.0002476700000000 ] - [ -0.0000145000000000, 0.0000095100000000, 0.0000372700000000 ] - [ -0.0000164800000000, 0.0000092800000000, -0.0007469100000000 ] - [ 0.0000146200000000, -0.0000073800000000, -0.0002433100000000 ] - [ -0.0001082600000000, -0.0000077000000000, -0.0003729800000000 ] - [ 0.0000137000000000, -0.0000077000000000, -0.0005394600000000 ] - [ 0.0000130300000000, -0.0000071700000000, -0.0008052600000000 ] - [ -0.0000154200000000, 0.0000094200000000, -0.0001716000000000 ] - [ 0.0000153500000000, -0.0000083200000000, -0.0002068800000000 ] - [ 0.0000138400000000, -0.0000080100000000, -0.0003147600000000 ] - [ 0.0000145100000000, -0.0000072100000000, 0.0002122000000000 ] - [ 0.0000139800000000, -0.0000072200000000, -0.0001647900000000 ] - [ 0.0000147200000000, -0.0000082100000000, -0.0000822100000000 ] - [ 0.0000152500000000, -0.0000079600000000, -0.0005493000000000 ] - [ 0.0000146100000000, -0.0000083500000000, -0.0006418100000000 ] - [ 0.0000146800000000, -0.0000072300000000, -0.0003803700000000 ] - [ -0.0001074700000000, -0.0000080900000000, -0.0007826900000000 ] - [ 0.0000077800000000, -0.0000078700000000, -0.0002005800000000 ] - [ 0.0000143400000000, -0.0000083800000000, 0.0000273900000000 ] - [ -0.0000070900000000, 0.0000047300000000, 0.0006007300000000 ] - [ 0.0606848500000000, -0.0009913000000000, -0.0003566100000000 ] - [ -0.0000072600000000, 0.0000047900000000, 0.0003651600000000 ] - [ -0.0000062100000000, 0.0000048700000000, -0.0001692900000000 ] - [ 0.0000358900000000, 0.0000046700000000, 0.0000531300000000 ] - [ -0.0000068000000000, 0.0000045100000000, 0.0005187300000000 ] - [ 0.0000055200000000, -0.0000019600000000, -0.0001809700000000 ] - [ -0.0000067100000000, 0.0000046800000000, 0.0006038900000000 ] - [ 0.0004601800000000, 0.0000041100000000, 0.0000365400000000 ] - [ -0.0000059100000000, 0.0000047800000000, -0.0000125300000000 ] - [ -0.0000059600000000, 0.0000046900000000, 0.0006494500000000 ] - [ -0.0000060800000000, 0.0000045700000000, 0.0005574200000000 ] - [ -0.0008721100000000, 0.0000038600000000, 0.0002627400000000 ] - [ -0.0000067000000000, 0.0000049700000000, 0.0006650900000000 ] - [ -0.0000059600000000, 0.0000048300000000, 0.0001366000000000 ] - [ -0.0000060300000000, 0.0000049600000000, 0.0005089500000000 ] - [ -0.0000123800000000, 0.0000046300000000, 0.0005220000000000 ] - [ 0.0000051400000000, -0.0000013400000000, 0.0003268600000000 ] - [ -0.0000065500000000, 0.0000047800000000, 0.0001766900000000 ] - [ 0.0000050900000000, -0.0000018000000000, 0.0004922200000000 ] - [ 0.0000051200000000, -0.0000019300000000, -0.0001016600000000 ] - [ -0.0000063300000000, 0.0000047100000000, 0.0000908900000000 ] - [ 0.0000049100000000, -0.0000015400000000, 0.0004298500000000 ] - [ -0.0000659200000000, 0.0000049800000000, 0.0003445800000000 ] - [ -0.0000070300000000, 0.0000049900000000, 0.0008699200000000 ] - [ 0.0018356100000000, 0.0000137100000000, 0.0002066200000000 ] - [ -0.0000029300000000, 0.0000048500000000, 0.0002175900000000 ] - [ -0.0000062500000000, 0.0000046400000000, -0.0000344400000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010884600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013555400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008538600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009412500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0965244400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022371900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006096300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006177200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005190500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002463000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008507200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009784800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005190700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006888000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008846800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004532400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0334780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006884500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004972300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005091800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004409800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003800000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009217200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007265400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011526300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009922700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006370100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007244300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0570979300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008497400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010890600000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010126500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007783600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012647700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011910900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0924669100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015432800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014888200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010372300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017963800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016061200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012291000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013581700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008585100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012521600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016935000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014335500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019538400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016644000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0324793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011524400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015803600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009016000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016155600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010709600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000382800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015563300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015913000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013834900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012942700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011977300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014889900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0540048700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010058300000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000147300000000, -0.0000075900000000, 0.0000458700000000 ] - [ -0.0000163300000000, 0.0000098000000000, 0.0002625000000000 ] - [ -0.0001074800000000, -0.0000082400000000, -0.0004397300000000 ] - [ -0.0000154900000000, 0.0000109900000000, -0.0002408800000000 ] - [ 0.0000136000000000, -0.0000074600000000, -0.0001135100000000 ] - [ -0.0001665900000000, -0.0000022600000000, -0.0003123900000000 ] - [ -0.0616372400000000, 0.0009995000000000, 0.0001729200000000 ] - [ -0.0001085900000000, -0.0000072700000000, -0.0004678700000000 ] - [ 0.0000147300000000, -0.0000085100000000, -0.0004715600000000 ] - [ 0.0000129700000000, -0.0000075100000000, -0.0002439500000000 ] - [ -0.0000146700000000, 0.0000098900000000, 0.0000371700000000 ] - [ -0.0000172600000000, 0.0000093200000000, -0.0007496600000000 ] - [ 0.0000139400000000, -0.0000075700000000, -0.0002503000000000 ] - [ 0.0000073600000000, -0.0000072600000000, -0.0003883700000000 ] - [ 0.0000151300000000, -0.0000073800000000, -0.0005262000000000 ] - [ 0.0000129200000000, -0.0000067900000000, -0.0007906600000000 ] - [ -0.0000152700000000, 0.0000098000000000, -0.0001548700000000 ] - [ 0.0000149500000000, -0.0000088800000000, -0.0001922200000000 ] - [ 0.0000145500000000, -0.0000081000000000, -0.0003134600000000 ] - [ 0.0000137700000000, -0.0000073000000000, 0.0002167900000000 ] - [ 0.0000149500000000, -0.0000067100000000, -0.0001250400000000 ] - [ 0.0000161700000000, -0.0000084200000000, -0.0000838500000000 ] - [ 0.0000151100000000, -0.0000080500000000, -0.0005694900000000 ] - [ 0.0000089000000000, -0.0000082500000000, -0.0006348500000000 ] - [ 0.0000147100000000, -0.0000076100000000, -0.0003938400000000 ] - [ -0.0001660400000000, -0.0000002800000000, -0.0007725800000000 ] - [ 0.0000142900000000, -0.0000080300000000, -0.0002169300000000 ] - [ 0.0000155600000000, -0.0000083600000000, 0.0000053100000000 ] - [ -0.0000061500000000, 0.0000044800000000, 0.0006109100000000 ] - [ -0.0008722200000000, 0.0000037200000000, 0.0002283600000000 ] - [ -0.0000067700000000, 0.0000045300000000, 0.0003889500000000 ] - [ -0.0000063600000000, 0.0000047900000000, -0.0002355200000000 ] - [ 0.0004603100000000, 0.0000039400000000, 0.0000550400000000 ] - [ -0.0000066900000000, 0.0000042700000000, 0.0004825800000000 ] - [ 0.0000057200000000, -0.0000020300000000, -0.0001892700000000 ] - [ -0.0000070300000000, 0.0000045200000000, 0.0006027600000000 ] - [ 0.0018374800000000, 0.0000131100000000, -0.0000923300000000 ] - [ -0.0000026200000000, 0.0000047200000000, -0.0000136600000000 ] - [ -0.0000066700000000, 0.0000044100000000, 0.0006241700000000 ] - [ -0.0000055300000000, 0.0000042500000000, 0.0005864900000000 ] - [ -0.0000649500000000, 0.0000043000000000, 0.0002773600000000 ] - [ -0.0000063600000000, 0.0000049400000000, 0.0006403200000000 ] - [ -0.0000058800000000, 0.0000048900000000, 0.0001431400000000 ] - [ -0.0000058200000000, 0.0000047200000000, 0.0005293200000000 ] - [ -0.0000065900000000, 0.0000045600000000, 0.0005132600000000 ] - [ 0.0000049900000000, -0.0000013000000000, 0.0003594600000000 ] - [ -0.0000065300000000, 0.0000045100000000, 0.0001866300000000 ] - [ 0.0000043600000000, -0.0000012900000000, 0.0005184300000000 ] - [ 0.0000046400000000, -0.0000019700000000, -0.0001339200000000 ] - [ -0.0000063900000000, 0.0000047800000000, 0.0001032400000000 ] - [ 0.0000049900000000, -0.0000016300000000, 0.0004150500000000 ] - [ -0.0000130500000000, 0.0000046600000000, 0.0002946000000000 ] - [ -0.0000067200000000, 0.0000047800000000, 0.0008981600000000 ] - [ 0.0607068200000000, -0.0009911700000000, -0.0002689500000000 ] - [ 0.0000354300000000, 0.0000045400000000, 0.0002076400000000 ] - [ -0.0000058500000000, 0.0000044800000000, -0.0000205300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010878500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013513300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009381700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0968412500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008077600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007138600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005221400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002507000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008494200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012650100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005228700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006850800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020547100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011014000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004710600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007045100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011544300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004543300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0567933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005088600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008692800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003804700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005867200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005361400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006058000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011296800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006057200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335346200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010995500000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008132700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016571300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012815500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011990700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031185900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0933011900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015263700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013340000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018276100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014590200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016255200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019047300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012597200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013891100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008698700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011574700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014621000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035708700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012744500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016297900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000369600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008775300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010791700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015695900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016521000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0542817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010266400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016939800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013477500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015594600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013868100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009239800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014750500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019224400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0324373600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010130900000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000135800000000, -0.0000076600000000, 0.0000336100000000 ] - [ -0.0000179500000000, 0.0000099100000000, 0.0002699300000000 ] - [ 0.0000122900000000, -0.0000078000000000, -0.0004496100000000 ] - [ -0.0000179700000000, 0.0000108100000000, -0.0002195300000000 ] - [ 0.0000123600000000, -0.0000072200000000, -0.0001171500000000 ] - [ 0.0000055500000000, -0.0000075000000000, -0.0002962400000000 ] - [ -0.0001093200000000, -0.0000079400000000, -0.0006011300000000 ] - [ -0.0615634600000000, 0.0009973600000000, 0.0003503000000000 ] - [ 0.0000069000000000, -0.0000077600000000, -0.0004495900000000 ] - [ 0.0000114200000000, -0.0000073200000000, -0.0002480800000000 ] - [ -0.0000161900000000, 0.0000094200000000, 0.0000345900000000 ] - [ -0.0000192800000000, 0.0000091600000000, -0.0007492700000000 ] - [ 0.0000124300000000, -0.0000073100000000, -0.0002463300000000 ] - [ 0.0000118400000000, -0.0000074300000000, -0.0003785700000000 ] - [ 0.0000116300000000, -0.0000076400000000, -0.0005416400000000 ] - [ -0.0001102300000000, -0.0000071900000000, -0.0008055900000000 ] - [ -0.0000171500000000, 0.0000093800000000, -0.0001724400000000 ] - [ 0.0000130000000000, -0.0000083000000000, -0.0002078700000000 ] - [ 0.0000122000000000, -0.0000079900000000, -0.0003162200000000 ] - [ 0.0000130600000000, -0.0000071900000000, 0.0002106900000000 ] - [ 0.0000126900000000, -0.0000072700000000, -0.0001658600000000 ] - [ 0.0000139600000000, -0.0000082000000000, -0.0000855400000000 ] - [ 0.0000136000000000, -0.0000079900000000, -0.0005476600000000 ] - [ -0.0001668200000000, -0.0000006400000000, -0.0006371700000000 ] - [ 0.0000130200000000, -0.0000072600000000, -0.0003845200000000 ] - [ -0.0001668700000000, -0.0000027800000000, -0.0007854800000000 ] - [ 0.0000142100000000, -0.0000078800000000, -0.0002021200000000 ] - [ 0.0000134700000000, -0.0000084000000000, 0.0000279700000000 ] - [ -0.0000076600000000, 0.0000046500000000, 0.0006048000000000 ] - [ -0.0000145900000000, 0.0000043400000000, 0.0002335900000000 ] - [ -0.0000089600000000, 0.0000042500000000, 0.0003786800000000 ] - [ -0.0000081000000000, 0.0000046400000000, -0.0002256400000000 ] - [ 0.0607285300000000, -0.0009918500000000, -0.0005551000000000 ] - [ -0.0000081500000000, 0.0000042300000000, 0.0004923600000000 ] - [ 0.0000041800000000, -0.0000020300000000, -0.0001816400000000 ] - [ -0.0000082900000000, 0.0000048600000000, 0.0006196600000000 ] - [ -0.0008739300000000, 0.0000032700000000, 0.0000344200000000 ] - [ 0.0004582100000000, 0.0000044000000000, -0.0000057100000000 ] - [ -0.0000078600000000, 0.0000044800000000, 0.0006498900000000 ] - [ -0.0000078300000000, 0.0000043600000000, 0.0005655900000000 ] - [ -0.0000087500000000, 0.0000046100000000, 0.0002660800000000 ] - [ -0.0000087100000000, 0.0000046800000000, 0.0006616100000000 ] - [ -0.0000040100000000, 0.0000049700000000, 0.0001356900000000 ] - [ -0.0000069600000000, 0.0000052200000000, 0.0005277100000000 ] - [ -0.0000075200000000, 0.0000043700000000, 0.0005162900000000 ] - [ 0.0000029500000000, -0.0000011100000000, 0.0003330800000000 ] - [ -0.0000080600000000, 0.0000052100000000, 0.0001708500000000 ] - [ 0.0000026600000000, -0.0000015200000000, 0.0004949900000000 ] - [ 0.0000031600000000, -0.0000016000000000, -0.0001238800000000 ] - [ -0.0000079100000000, 0.0000044100000000, 0.0000826700000000 ] - [ 0.0000033800000000, -0.0000012500000000, 0.0004142300000000 ] - [ -0.0000085200000000, 0.0000055600000000, 0.0003317100000000 ] - [ -0.0000088100000000, 0.0000047500000000, 0.0008697600000000 ] - [ -0.0000672900000000, 0.0000046500000000, 0.0003345200000000 ] - [ 0.0018326800000000, 0.0000137400000000, 0.0000885600000000 ] - [ 0.0000341800000000, 0.0000043500000000, -0.0000342600000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005881600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008391000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007818700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005627600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0957445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006249900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010719500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003075100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006774200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005075000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003577000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008647900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008333200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007257800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012410700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008744600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009603500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004985700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006723100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019956500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010770000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004704300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007348700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011562800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332244100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004705900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002172100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010612100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004091900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005274700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008318300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009841500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005532200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007931500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009059500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006386500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011248300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006853500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0569927500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011355200000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010259300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012856900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011855500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013688600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0928921900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010407900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018384200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016094400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012259700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011433900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034204900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016521700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009414300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016064700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008941000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001888000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015978800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012970500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017248100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015403100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015718800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012554800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015379000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009701400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015132300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014443900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010389800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000135600000000, -0.0000077200000000, 0.0000302200000000 ] - [ -0.0000186600000000, 0.0000100700000000, 0.0002713900000000 ] - [ 0.0000126500000000, -0.0000078300000000, -0.0004584400000000 ] - [ -0.0000221100000000, 0.0000107300000000, -0.0002057800000000 ] - [ 0.0000125700000000, -0.0000072200000000, -0.0001196600000000 ] - [ 0.0000139100000000, -0.0000076200000000, -0.0002794300000000 ] - [ 0.0000122700000000, -0.0000076100000000, -0.0006046900000000 ] - [ 0.0000054200000000, -0.0000070900000000, -0.0004700200000000 ] - [ -0.0615621100000000, 0.0009989400000000, 0.0002005000000000 ] - [ 0.0000115100000000, -0.0000073300000000, -0.0002532400000000 ] - [ -0.0000161500000000, 0.0000093900000000, 0.0000376300000000 ] - [ 0.0000417500000000, 0.0000095100000000, -0.0007459100000000 ] - [ 0.0000127100000000, -0.0000073300000000, -0.0002452700000000 ] - [ 0.0000126000000000, -0.0000075100000000, -0.0003624800000000 ] - [ -0.0001578500000000, -0.0000000600000000, -0.0005319300000000 ] - [ -0.0001670600000000, -0.0000021800000000, -0.0008131800000000 ] - [ -0.0000170800000000, 0.0000092400000000, -0.0001763000000000 ] - [ 0.0000129600000000, -0.0000083000000000, -0.0002098500000000 ] - [ 0.0000129400000000, -0.0000080600000000, -0.0003135300000000 ] - [ 0.0000119700000000, -0.0000072800000000, 0.0002072200000000 ] - [ 0.0000120100000000, -0.0000074000000000, -0.0001679200000000 ] - [ 0.0000138800000000, -0.0000082500000000, -0.0000796900000000 ] - [ 0.0000128300000000, -0.0000080700000000, -0.0005536900000000 ] - [ -0.0001086000000000, -0.0000086700000000, -0.0006429500000000 ] - [ 0.0000129700000000, -0.0000072400000000, -0.0003740500000000 ] - [ 0.0000122400000000, -0.0000081200000000, -0.0007833000000000 ] - [ 0.0000136700000000, -0.0000079900000000, -0.0001994400000000 ] - [ 0.0000129300000000, -0.0000084300000000, 0.0000223100000000 ] - [ -0.0000081900000000, 0.0000045800000000, 0.0005963000000000 ] - [ -0.0000078900000000, 0.0000047500000000, 0.0002694600000000 ] - [ -0.0000079000000000, 0.0000050500000000, 0.0003482100000000 ] - [ -0.0000080100000000, 0.0000048000000000, -0.0001106400000000 ] - [ -0.0000142100000000, 0.0000046600000000, 0.0000569600000000 ] - [ -0.0000080500000000, 0.0000046400000000, 0.0005549600000000 ] - [ 0.0003260500000000, -0.0000029200000000, -0.0001827400000000 ] - [ -0.0000080800000000, 0.0000046500000000, 0.0005991400000000 ] - [ -0.0000087400000000, 0.0000048700000000, 0.0000324800000000 ] - [ -0.0008743200000000, 0.0000038800000000, -0.0000226000000000 ] - [ -0.0000082900000000, 0.0000046700000000, 0.0006602000000000 ] - [ -0.0000080400000000, 0.0000046000000000, 0.0005395800000000 ] - [ -0.0000075800000000, 0.0000045900000000, 0.0002392600000000 ] - [ -0.0000086200000000, 0.0000048900000000, 0.0006746900000000 ] - [ 0.0017706300000000, 0.0000135000000000, -0.0000006500000000 ] - [ -0.0000075000000000, 0.0000048300000000, 0.0004821600000000 ] - [ -0.0000081800000000, 0.0000046300000000, 0.0005199800000000 ] - [ 0.0000040800000000, -0.0000014400000000, 0.0003161700000000 ] - [ -0.0000075000000000, 0.0000046500000000, 0.0001805200000000 ] - [ 0.0000031300000000, -0.0000020000000000, 0.0004695200000000 ] - [ 0.0000130700000000, -0.0000021800000000, -0.0000814300000000 ] - [ -0.0000079200000000, 0.0000047700000000, 0.0000930200000000 ] - [ 0.0000032300000000, -0.0000015200000000, 0.0004499000000000 ] - [ -0.0000088100000000, 0.0000047300000000, 0.0003825100000000 ] - [ -0.0000082800000000, 0.0000050100000000, 0.0008500900000000 ] - [ -0.0000084100000000, 0.0000050100000000, 0.0003322800000000 ] - [ -0.0000673800000000, 0.0000046800000000, 0.0002107300000000 ] - [ 0.0607740100000000, -0.0009929300000000, -0.0006385800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011029500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004675700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006190000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0971099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011083200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008304000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007047600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022886000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019928700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008630000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007537500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012773900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009027700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009890700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005275400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005512000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002886600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008678600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004536400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007855700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006998300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004969400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010213500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008013300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0569635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005251900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007533800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006014200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011399600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006015400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006692100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007132900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008954300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0331235700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010328900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013454700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016709900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015556200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0928269700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013173300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010292000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019947700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013224100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014342100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036346900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012472300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012735200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013808300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008633900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012328400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011458500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016393900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018369600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018551900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012599500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010635400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016501500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011219400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008760600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016633100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010965900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002391100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015909200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017320300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0542522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015656900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015889300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014119200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015613000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009616900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011652500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014365000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013281600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327414800000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000119100000000, -0.0000077500000000, 0.0000452400000000 ] - [ -0.0000190500000000, 0.0000097500000000, 0.0002609800000000 ] - [ 0.0000054800000000, -0.0000077600000000, -0.0004563400000000 ] - [ -0.0000178400000000, 0.0000109400000000, -0.0002339100000000 ] - [ -0.0001102500000000, -0.0000076700000000, -0.0001084400000000 ] - [ 0.0000109200000000, -0.0000075100000000, -0.0002967700000000 ] - [ 0.0000118500000000, -0.0000074900000000, -0.0005899400000000 ] - [ 0.0000111200000000, -0.0000071200000000, -0.0004630200000000 ] - [ 0.0000125200000000, -0.0000079600000000, -0.0004612000000000 ] - [ -0.0615046000000000, 0.0009950300000000, 0.0005489500000000 ] - [ -0.0000174200000000, 0.0000094500000000, 0.0000186200000000 ] - [ -0.0000189300000000, 0.0000093300000000, -0.0007555100000000 ] - [ 0.0000113500000000, -0.0000071100000000, -0.0002873400000000 ] - [ -0.0001106900000000, -0.0000075100000000, -0.0003682000000000 ] - [ 0.0000120800000000, -0.0000078600000000, -0.0005365800000000 ] - [ 0.0000116400000000, -0.0000072000000000, -0.0007979600000000 ] - [ -0.0000171200000000, 0.0000093700000000, -0.0001643000000000 ] - [ 0.0000132500000000, -0.0000078900000000, -0.0001864300000000 ] - [ 0.0000050100000000, -0.0000078400000000, -0.0003034200000000 ] - [ 0.0000110900000000, -0.0000074100000000, 0.0001796200000000 ] - [ 0.0000117000000000, -0.0000075300000000, -0.0001208000000000 ] - [ -0.0001677500000000, -0.0000031000000000, -0.0000814300000000 ] - [ 0.0000123900000000, -0.0000078100000000, -0.0005868400000000 ] - [ 0.0000134500000000, -0.0000085700000000, -0.0006246900000000 ] - [ 0.0000108600000000, -0.0000071500000000, -0.0003535100000000 ] - [ 0.0000140500000000, -0.0000078100000000, -0.0007854300000000 ] - [ -0.0001690900000000, -0.0000002900000000, -0.0002149700000000 ] - [ 0.0000133400000000, -0.0000082400000000, -0.0000128700000000 ] - [ 0.0606999200000000, -0.0009913800000000, -0.0000097300000000 ] - [ -0.0000046300000000, 0.0000046000000000, 0.0002456200000000 ] - [ -0.0000090600000000, 0.0000052500000000, 0.0003406200000000 ] - [ -0.0000084800000000, 0.0000051800000000, -0.0001186800000000 ] - [ -0.0000080700000000, 0.0000046300000000, 0.0000491700000000 ] - [ -0.0000087800000000, 0.0000046200000000, 0.0005582100000000 ] - [ 0.0000031700000000, -0.0000017800000000, -0.0001802700000000 ] - [ -0.0000094800000000, 0.0000048400000000, 0.0005852500000000 ] - [ -0.0000083600000000, 0.0000047600000000, 0.0000280400000000 ] - [ -0.0000084900000000, 0.0000046900000000, -0.0000422900000000 ] - [ -0.0000148800000000, 0.0000048200000000, 0.0006360100000000 ] - [ -0.0000673600000000, 0.0000041900000000, 0.0005540200000000 ] - [ 0.0000337600000000, 0.0000045500000000, 0.0002558000000000 ] - [ -0.0008749800000000, 0.0000042800000000, 0.0006534600000000 ] - [ -0.0000085000000000, 0.0000050200000000, 0.0001362000000000 ] - [ -0.0000081800000000, 0.0000042500000000, 0.0004695200000000 ] - [ 0.0018383100000000, 0.0000132100000000, 0.0003973700000000 ] - [ 0.0000024400000000, -0.0000013300000000, 0.0003219500000000 ] - [ -0.0000086200000000, 0.0000047300000000, 0.0002075200000000 ] - [ 0.0000019600000000, -0.0000015200000000, 0.0004718400000000 ] - [ 0.0000025700000000, -0.0000020400000000, -0.0000765200000000 ] - [ -0.0000090800000000, 0.0000050800000000, 0.0001092100000000 ] - [ 0.0000029100000000, -0.0000015400000000, 0.0004633800000000 ] - [ 0.0004567600000000, 0.0000041400000000, 0.0003338100000000 ] - [ -0.0000095500000000, 0.0000049400000000, 0.0008495900000000 ] - [ -0.0000086600000000, 0.0000055200000000, 0.0003245400000000 ] - [ -0.0000090900000000, 0.0000045700000000, 0.0002043700000000 ] - [ -0.0000088400000000, 0.0000044100000000, -0.0000315000000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010697200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013096300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006004700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008408400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004350900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005685100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0953468000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010868700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003048300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004942800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008283600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003962600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006717300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007298400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010201000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012675200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004644300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010407700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004157600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005887500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008585000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006092500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0572549300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006298700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009946400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006159500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006608500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002396000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011082900000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008096800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015507700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012953100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013504700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016625100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015319700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0927060200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018353500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015791200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018610600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014125500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008281300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011957000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016442700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014428900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018538100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029723600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010772800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0321110300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007857900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015221200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008837700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017272200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010141400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017229200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004199000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012685600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015828600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0538007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014763500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012442900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016104900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011131400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020199700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014378800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012398000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010841300000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000027900000000, -0.0000065900000000, 0.0000305800000000 ] - [ -0.0001910300000000, 0.0000059200000000, 0.0002663200000000 ] - [ 0.0000116900000000, -0.0000068500000000, -0.0004585500000000 ] - [ -0.0000184400000000, 0.0000117100000000, -0.0002134800000000 ] - [ 0.0000110000000000, -0.0000062300000000, -0.0001198700000000 ] - [ 0.0000117800000000, -0.0000067200000000, -0.0002833900000000 ] - [ 0.0000121800000000, -0.0000064800000000, -0.0006025000000000 ] - [ 0.0000113400000000, -0.0000060900000000, -0.0004699400000000 ] - [ 0.0000127600000000, -0.0000067900000000, -0.0004525300000000 ] - [ 0.0000106000000000, -0.0000063900000000, -0.0002534200000000 ] - [ -0.0613941100000000, -0.0009915400000000, 0.0007637500000000 ] - [ -0.0000190000000000, 0.0000103300000000, -0.0007419300000000 ] - [ 0.0000105500000000, -0.0000063700000000, -0.0002430500000000 ] - [ 0.0000115000000000, -0.0000063400000000, -0.0003641600000000 ] - [ 0.0000104000000000, -0.0000067200000000, -0.0005374100000000 ] - [ 0.0000109100000000, -0.0000063500000000, -0.0008075400000000 ] - [ -0.0000183600000000, 0.0000101300000000, -0.0001729000000000 ] - [ 0.0000100400000000, -0.0000074100000000, -0.0002084000000000 ] - [ 0.0000105100000000, -0.0000070200000000, -0.0003135400000000 ] - [ -0.0001272300000000, -0.0000060500000000, 0.0002069300000000 ] - [ -0.0001272600000000, -0.0000062600000000, -0.0001600700000000 ] - [ 0.0000140500000000, -0.0000071400000000, -0.0000816800000000 ] - [ 0.0000121300000000, -0.0000069900000000, -0.0005551700000000 ] - [ 0.0000124500000000, -0.0000073400000000, -0.0006421000000000 ] - [ 0.0000073300000000, -0.0000061900000000, -0.0003797300000000 ] - [ 0.0000125000000000, -0.0000071000000000, -0.0007854500000000 ] - [ 0.0000129000000000, -0.0000070000000000, -0.0002038200000000 ] - [ -0.0008948500000000, 0.0000041500000000, 0.0000303300000000 ] - [ -0.0000086700000000, 0.0000056400000000, 0.0005968400000000 ] - [ -0.0000090800000000, 0.0000059000000000, 0.0002572200000000 ] - [ -0.0000100100000000, 0.0000056200000000, 0.0003600000000000 ] - [ -0.0000092500000000, 0.0000057000000000, -0.0001534900000000 ] - [ -0.0000091400000000, 0.0000057100000000, 0.0000519100000000 ] - [ 0.0006293300000000, 0.0000038900000000, 0.0005308700000000 ] - [ 0.0000029800000000, -0.0000009700000000, -0.0001842800000000 ] - [ -0.0000140100000000, 0.0000054900000000, 0.0006060200000000 ] - [ -0.0000092100000000, 0.0000057800000000, 0.0000317700000000 ] - [ -0.0000085800000000, 0.0000060600000000, -0.0000193700000000 ] - [ -0.0000035300000000, 0.0000057800000000, 0.0006546700000000 ] - [ -0.0000085200000000, 0.0000057600000000, 0.0005478900000000 ] - [ -0.0000087500000000, 0.0000055000000000, 0.0002467100000000 ] - [ -0.0000092300000000, 0.0000058700000000, 0.0006719700000000 ] - [ -0.0000092600000000, 0.0000057800000000, 0.0001313100000000 ] - [ -0.0000463300000000, 0.0000063900000000, 0.0004951100000000 ] - [ -0.0000087900000000, 0.0000057400000000, 0.0005171000000000 ] - [ 0.0000024900000000, -0.0000001600000000, 0.0003217700000000 ] - [ 0.0026178700000000, -0.0000175900000000, 0.0000516600000000 ] - [ -0.0008637000000000, -0.0000001500000000, 0.0004832700000000 ] - [ 0.0000020800000000, -0.0000008800000000, -0.0000966100000000 ] - [ -0.0000089800000000, 0.0000056900000000, 0.0000886800000000 ] - [ 0.0603491200000000, 0.0009899500000000, -0.0001655700000000 ] - [ -0.0000088700000000, 0.0000059900000000, 0.0003621800000000 ] - [ 0.0000481200000000, 0.0000060400000000, 0.0008580300000000 ] - [ -0.0000087800000000, 0.0000058100000000, 0.0003321400000000 ] - [ -0.0000096100000000, 0.0000058600000000, 0.0002132600000000 ] - [ -0.0000088200000000, 0.0000055400000000, -0.0000383300000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010961500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030371300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008284600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007494400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005794700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005931900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0943429600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006695800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002428400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008279000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007281400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013724500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009935600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009505400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004000600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004916400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008347100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006914100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005306600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010503500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010947200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004214900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005606300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008184800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004244900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009305700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005328400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007238300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0565289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006952900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012106600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007177100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010869000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025587400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012909200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011537500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013585400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015295200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0919798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018195500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013018100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014548200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015794200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018352500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012214800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012564300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014064400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009425100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017072600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018639800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012397600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014199400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011278400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016425200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008784800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010660000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015681400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013722300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012340400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016855700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0537841200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002899200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009486300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0323644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013683600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019790000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010624500000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000145800000000, -0.0000065300000000, 0.0000342300000000 ] - [ -0.0000166200000000, 0.0000111000000000, 0.0002712600000000 ] - [ 0.0000145100000000, -0.0000067000000000, -0.0004503300000000 ] - [ -0.0001964100000000, 0.0000041300000000, -0.0002081600000000 ] - [ 0.0000138000000000, -0.0000061900000000, -0.0001159000000000 ] - [ 0.0000138900000000, -0.0000064700000000, -0.0002922200000000 ] - [ 0.0000138600000000, -0.0000065400000000, -0.0006019900000000 ] - [ 0.0000123200000000, -0.0000060700000000, -0.0004728000000000 ] - [ 0.0000746300000000, -0.0000074100000000, -0.0004468100000000 ] - [ 0.0000131500000000, -0.0000061800000000, -0.0002501000000000 ] - [ -0.0000148700000000, 0.0000105900000000, 0.0000316900000000 ] - [ -0.0613958700000000, -0.0009977100000000, 0.0000350100000000 ] - [ 0.0000102500000000, -0.0000064800000000, -0.0002486500000000 ] - [ 0.0000132900000000, -0.0000063100000000, -0.0003783900000000 ] - [ -0.0008925100000000, -0.0000084300000000, -0.0005437100000000 ] - [ 0.0000134400000000, -0.0000061200000000, -0.0008064900000000 ] - [ -0.0001373800000000, 0.0000105700000000, -0.0001756200000000 ] - [ 0.0000142000000000, -0.0000072300000000, -0.0002074600000000 ] - [ 0.0000143100000000, -0.0000069200000000, -0.0003181400000000 ] - [ 0.0000127700000000, -0.0000062300000000, 0.0002072500000000 ] - [ 0.0000133700000000, -0.0000062700000000, -0.0001675600000000 ] - [ 0.0000153300000000, -0.0000070900000000, -0.0000859800000000 ] - [ 0.0000148700000000, -0.0000068900000000, -0.0005509700000000 ] - [ 0.0000149800000000, -0.0000072800000000, -0.0006434700000000 ] - [ 0.0000138100000000, -0.0000061600000000, -0.0003799000000000 ] - [ 0.0000142500000000, -0.0000069100000000, -0.0007820300000000 ] - [ 0.0000150900000000, -0.0000068300000000, -0.0001999100000000 ] - [ 0.0000140200000000, -0.0000073100000000, 0.0000258000000000 ] - [ -0.0000066100000000, 0.0000057500000000, 0.0006003300000000 ] - [ -0.0000070900000000, 0.0000056000000000, 0.0002460300000000 ] - [ -0.0000063200000000, 0.0000058200000000, 0.0003674400000000 ] - [ -0.0000052500000000, 0.0000058900000000, -0.0001867000000000 ] - [ -0.0000067900000000, 0.0000057100000000, 0.0000500000000000 ] - [ -0.0000067000000000, 0.0000054400000000, 0.0005090200000000 ] - [ 0.0599484600000000, 0.0009980100000000, -0.0007871600000000 ] - [ -0.0000069500000000, 0.0000058200000000, 0.0006048100000000 ] - [ -0.0000064200000000, 0.0000055000000000, 0.0000338000000000 ] - [ -0.0000064700000000, 0.0000058000000000, -0.0000139600000000 ] - [ -0.0000062400000000, 0.0000055800000000, 0.0006445200000000 ] - [ -0.0000064400000000, 0.0000055300000000, 0.0005619600000000 ] - [ -0.0000068200000000, 0.0000057600000000, 0.0002555900000000 ] - [ -0.0000063400000000, 0.0000060200000000, 0.0006630400000000 ] - [ 0.0001661700000000, 0.0000009500000000, 0.0001398500000000 ] - [ -0.0000062200000000, 0.0000062500000000, 0.0005132700000000 ] - [ -0.0000063400000000, 0.0000056400000000, 0.0005196700000000 ] - [ 0.0004729300000000, 0.0000003000000000, 0.0003275700000000 ] - [ -0.0000061100000000, 0.0000059000000000, 0.0001753400000000 ] - [ 0.0000048000000000, -0.0000006000000000, 0.0004916300000000 ] - [ 0.0018067800000000, -0.0000096500000000, -0.0002338400000000 ] - [ 0.0000300900000000, 0.0000058300000000, 0.0000882500000000 ] - [ 0.0000047000000000, -0.0000003500000000, 0.0004295800000000 ] - [ -0.0000069500000000, 0.0000061900000000, 0.0003415900000000 ] - [ -0.0000065900000000, 0.0000059400000000, 0.0008665700000000 ] - [ -0.0000069100000000, 0.0000060200000000, 0.0003331900000000 ] - [ -0.0000075600000000, 0.0000059300000000, 0.0002198400000000 ] - [ -0.0000138500000000, 0.0000052700000000, -0.0000399100000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010991800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013656100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006142900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026641300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009531000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007806800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004658600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005966300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007795300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008210900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011246000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0972189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008329100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010115200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008616700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007583600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009893400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005589200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004334200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006968700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002816400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008735200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011090700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004656300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008323000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012462500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328347000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011115800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004043700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005299600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005273000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006582700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005855200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0568997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010262200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007101600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001987300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007239900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008633300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011425100000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010634700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008462400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015414100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012045500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013771000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015525800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017083800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013395700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010428000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0936026600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013278300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014705100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013114400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014173100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008686700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012464000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014877100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018797900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012862600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013137400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011194500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016053800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0328484900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016637400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010878500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010362400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015806300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017304300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006078700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015605400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013727400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0546947600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011928200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014078900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019281200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014060600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010858100000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000133400000000, -0.0000075400000000, 0.0000426500000000 ] - [ -0.0000188100000000, 0.0000099000000000, 0.0002587300000000 ] - [ 0.0000133100000000, -0.0000078000000000, -0.0004444900000000 ] - [ -0.0000224600000000, 0.0000111000000000, -0.0002335000000000 ] - [ 0.0000112400000000, -0.0000073300000000, -0.0001131700000000 ] - [ 0.0000130900000000, -0.0000073400000000, -0.0003021800000000 ] - [ 0.0000129900000000, -0.0000077100000000, -0.0005878200000000 ] - [ 0.0000122800000000, -0.0000069400000000, -0.0004647400000000 ] - [ 0.0000140100000000, -0.0000081600000000, -0.0004641000000000 ] - [ 0.0000115200000000, -0.0000074200000000, -0.0002441600000000 ] - [ -0.0000172100000000, 0.0000097500000000, 0.0000471900000000 ] - [ -0.0000218100000000, 0.0000092400000000, -0.0007452300000000 ] - [ -0.0616077800000000, 0.0009946900000000, 0.0003973400000000 ] - [ 0.0000124300000000, -0.0000072600000000, -0.0003833900000000 ] - [ 0.0000115300000000, -0.0000074700000000, -0.0005236100000000 ] - [ 0.0000114400000000, -0.0000068100000000, -0.0007945500000000 ] - [ -0.0001556300000000, 0.0000094500000000, -0.0001541700000000 ] - [ -0.0001641000000000, -0.0000007300000000, -0.0001909600000000 ] - [ 0.0000124700000000, -0.0000078800000000, -0.0003080900000000 ] - [ 0.0000114000000000, -0.0000070500000000, 0.0002210900000000 ] - [ 0.0000058400000000, -0.0000067300000000, -0.0001351000000000 ] - [ 0.0000136500000000, -0.0000081500000000, -0.0000867500000000 ] - [ -0.0001666600000000, -0.0000026300000000, -0.0005590800000000 ] - [ 0.0000139900000000, -0.0000084200000000, -0.0006333800000000 ] - [ -0.0001098900000000, -0.0000074700000000, -0.0003979700000000 ] - [ 0.0000125500000000, -0.0000078600000000, -0.0007836700000000 ] - [ 0.0000136700000000, -0.0000077900000000, -0.0002121500000000 ] - [ 0.0000127100000000, -0.0000082600000000, 0.0000184600000000 ] - [ -0.0000077500000000, 0.0000049000000000, 0.0006058100000000 ] - [ -0.0000084800000000, 0.0000042800000000, 0.0002256200000000 ] - [ 0.0018119000000000, 0.0000132800000000, 0.0002531500000000 ] - [ 0.0607980900000000, -0.0009926000000000, -0.0008159300000000 ] - [ -0.0000084000000000, 0.0000044300000000, 0.0000499400000000 ] - [ -0.0000085700000000, 0.0000043000000000, 0.0005008500000000 ] - [ 0.0000027100000000, -0.0000018000000000, -0.0001868200000000 ] - [ 0.0004585500000000, 0.0000042300000000, 0.0006072200000000 ] - [ -0.0000084800000000, 0.0000042700000000, 0.0000409100000000 ] - [ -0.0000082500000000, 0.0000047800000000, -0.0000062500000000 ] - [ -0.0000079100000000, 0.0000044300000000, 0.0006386700000000 ] - [ -0.0000073800000000, 0.0000043100000000, 0.0005768600000000 ] - [ -0.0000083200000000, 0.0000044700000000, 0.0002762600000000 ] - [ -0.0000079900000000, 0.0000050000000000, 0.0006550000000000 ] - [ -0.0000076800000000, 0.0000046800000000, 0.0001445400000000 ] - [ 0.0000344300000000, 0.0000047100000000, 0.0005123200000000 ] - [ -0.0000075200000000, 0.0000046300000000, 0.0005302600000000 ] - [ -0.0000355400000000, -0.0000011200000000, 0.0003450400000000 ] - [ -0.0000081000000000, 0.0000051600000000, 0.0001995500000000 ] - [ 0.0000064400000000, -0.0000013500000000, 0.0005101300000000 ] - [ -0.0000023500000000, -0.0000019100000000, -0.0001247700000000 ] - [ -0.0008784800000000, 0.0000045500000000, 0.0001084100000000 ] - [ 0.0000033300000000, -0.0000012900000000, 0.0004215000000000 ] - [ -0.0000088300000000, 0.0000051000000000, 0.0003165400000000 ] - [ -0.0000082700000000, 0.0000047300000000, 0.0008708000000000 ] - [ -0.0000092100000000, 0.0000050200000000, 0.0003397500000000 ] - [ -0.0000091400000000, 0.0000045400000000, 0.0002026000000000 ] - [ -0.0000078900000000, 0.0000048900000000, -0.0000211700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010809700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013423100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005908800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008590900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007594200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004491600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006111400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010920000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0960037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005125900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002399000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026239700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007296700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012650400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009065600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009692200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004034300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008005500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004716500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0572725000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010376100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010905600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004061900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008137300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006214400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007831100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009014800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011705900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002931200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010953300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0009910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008083900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014983300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012735800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011533200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012906600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018072600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0921430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014279700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018176400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013302700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029543000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013862500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011990400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011165900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034410600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016842300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015573000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018459400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012421800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010650500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016021600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0540910400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0328945100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015674200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016850100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010670800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010667500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017236700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015631800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016167800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016015700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009511000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001439200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014615100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013930600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014543400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012595700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010580500000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000140900000000, -0.0000077200000000, 0.0000457800000000 ] - [ -0.0000189700000000, 0.0000095500000000, 0.0002610700000000 ] - [ -0.0001697400000000, -0.0000001400000000, -0.0004489100000000 ] - [ -0.0000181800000000, 0.0000108100000000, -0.0002354200000000 ] - [ 0.0000115600000000, -0.0000073200000000, -0.0000968200000000 ] - [ -0.0001103800000000, -0.0000077700000000, -0.0002834700000000 ] - [ 0.0000058700000000, -0.0000071200000000, -0.0005805400000000 ] - [ 0.0000112000000000, -0.0000070500000000, -0.0004584000000000 ] - [ 0.0000132900000000, -0.0000079700000000, -0.0004590500000000 ] - [ -0.0001105700000000, -0.0000074600000000, -0.0002342300000000 ] - [ -0.0000163100000000, 0.0000095100000000, 0.0000182900000000 ] - [ -0.0000190500000000, 0.0000093500000000, -0.0007585800000000 ] - [ 0.0000118900000000, -0.0000069600000000, -0.0003047600000000 ] - [ -0.0614964000000000, 0.0009915500000000, 0.0002807200000000 ] - [ 0.0000126400000000, -0.0000078100000000, -0.0005345100000000 ] - [ 0.0000112400000000, -0.0000074200000000, -0.0007860100000000 ] - [ -0.0000163600000000, 0.0000090800000000, -0.0001547100000000 ] - [ 0.0000132800000000, -0.0000073200000000, -0.0001781100000000 ] - [ 0.0000119000000000, -0.0000075900000000, -0.0002923500000000 ] - [ 0.0000114200000000, -0.0000073400000000, 0.0001664000000000 ] - [ 0.0000118900000000, -0.0000080000000000, -0.0001063400000000 ] - [ 0.0000062200000000, -0.0000082000000000, -0.0000660800000000 ] - [ 0.0000132600000000, -0.0000076900000000, -0.0005977200000000 ] - [ 0.0000150900000000, -0.0000084700000000, -0.0006131800000000 ] - [ 0.0000123000000000, -0.0000068500000000, -0.0003314300000000 ] - [ 0.0000119300000000, -0.0000078600000000, -0.0007813500000000 ] - [ -0.0001686200000000, -0.0000028200000000, -0.0002280500000000 ] - [ 0.0000124400000000, -0.0000083600000000, -0.0000282900000000 ] - [ -0.0000672700000000, 0.0000047300000000, 0.0005951500000000 ] - [ 0.0004583400000000, 0.0000043200000000, 0.0002471200000000 ] - [ -0.0000090100000000, 0.0000049800000000, 0.0003442800000000 ] - [ -0.0000085800000000, 0.0000048200000000, -0.0001299200000000 ] - [ -0.0000077700000000, 0.0000046600000000, 0.0000491400000000 ] - [ -0.0000080900000000, 0.0000044300000000, 0.0005444500000000 ] - [ 0.0000031300000000, -0.0000017200000000, -0.0001748700000000 ] - [ -0.0000087300000000, 0.0000045600000000, 0.0005979000000000 ] - [ -0.0000045100000000, 0.0000047600000000, 0.0000279100000000 ] - [ -0.0000079100000000, 0.0000049400000000, -0.0000496500000000 ] - [ -0.0000083700000000, 0.0000048700000000, 0.0006327100000000 ] - [ -0.0000088200000000, 0.0000045400000000, 0.0005667600000000 ] - [ 0.0018376700000000, 0.0000135200000000, 0.0001250700000000 ] - [ -0.0000147300000000, 0.0000051000000000, 0.0006497900000000 ] - [ -0.0000080800000000, 0.0000048900000000, 0.0001379800000000 ] - [ -0.0000078100000000, 0.0000047000000000, 0.0004759900000000 ] - [ -0.0008736800000000, 0.0000038200000000, 0.0005226700000000 ] - [ 0.0000033400000000, -0.0000012000000000, 0.0003273400000000 ] - [ -0.0000087600000000, 0.0000047100000000, 0.0002175900000000 ] - [ 0.0000027400000000, -0.0000015100000000, 0.0004736200000000 ] - [ 0.0000027600000000, -0.0000017500000000, -0.0000718000000000 ] - [ -0.0000087300000000, 0.0000051900000000, 0.0001168200000000 ] - [ 0.0000025600000000, -0.0000010000000000, 0.0004713100000000 ] - [ 0.0606750500000000, -0.0009907500000000, -0.0002750800000000 ] - [ -0.0000083500000000, 0.0000050200000000, 0.0008630900000000 ] - [ 0.0000337000000000, 0.0000053300000000, 0.0003267800000000 ] - [ -0.0000087000000000, 0.0000047400000000, 0.0002064500000000 ] - [ -0.0000083100000000, 0.0000047000000000, -0.0000325600000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010814400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023705500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004629800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009208500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007975600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0958984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008668000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007346300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008796000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005054000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006741800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025807600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005261700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007606000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007177700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010098300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004740100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010408000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005289400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0569825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003924700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007055500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007584700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008919200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011446300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006226100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002153200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007561100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008571500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011036000000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010161600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007934500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032161800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011679100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014517800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016698100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015143900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014236200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010087600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012909800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0918454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015808100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018509500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012185400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012547300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013593800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008393200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012101900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016143900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017260500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014312100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009444600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011320500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016127200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011176700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017293100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016259700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0540853200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017548300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012266700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014131800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015698400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009781100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011808500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015215600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0323817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014359200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012833100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010422200000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000146200000000, -0.0000076700000000, 0.0000330700000000 ] - [ -0.0000169400000000, 0.0000101000000000, 0.0002701700000000 ] - [ 0.0000146700000000, -0.0000078100000000, -0.0004552000000000 ] - [ -0.0001551800000000, 0.0000106500000000, -0.0002129800000000 ] - [ 0.0000140000000000, -0.0000072200000000, -0.0001177800000000 ] - [ 0.0000134000000000, -0.0000075500000000, -0.0002861500000000 ] - [ 0.0000151700000000, -0.0000075600000000, -0.0006012000000000 ] - [ 0.0000124700000000, -0.0000071100000000, -0.0004682700000000 ] - [ -0.0001553600000000, -0.0000027200000000, -0.0004516200000000 ] - [ 0.0000133500000000, -0.0000073100000000, -0.0002507400000000 ] - [ -0.0000163500000000, 0.0000095400000000, 0.0000377400000000 ] - [ -0.0009231900000000, -0.0000023000000000, -0.0007349700000000 ] - [ 0.0000127000000000, -0.0000074000000000, -0.0002446700000000 ] - [ 0.0000142100000000, -0.0000073600000000, -0.0003679200000000 ] - [ -0.0614504400000000, 0.0009893600000000, 0.0001121500000000 ] - [ -0.0001087200000000, -0.0000074700000000, -0.0008062600000000 ] - [ -0.0000257300000000, 0.0000095800000000, -0.0001719000000000 ] - [ 0.0000158800000000, -0.0000082300000000, -0.0002058600000000 ] - [ 0.0000141400000000, -0.0000080300000000, -0.0003121000000000 ] - [ 0.0000135700000000, -0.0000072500000000, 0.0002102200000000 ] - [ 0.0000138200000000, -0.0000073100000000, -0.0001602000000000 ] - [ 0.0000158300000000, -0.0000081900000000, -0.0000808000000000 ] - [ 0.0000144400000000, -0.0000079700000000, -0.0005561600000000 ] - [ 0.0000076700000000, -0.0000083000000000, -0.0006411500000000 ] - [ 0.0000135800000000, -0.0000072500000000, -0.0003772900000000 ] - [ 0.0000138600000000, -0.0000080200000000, -0.0007835100000000 ] - [ 0.0000143700000000, -0.0000079400000000, -0.0002037300000000 ] - [ 0.0000145600000000, -0.0000083500000000, 0.0000204600000000 ] - [ -0.0000069400000000, 0.0000047500000000, 0.0005996900000000 ] - [ -0.0000064800000000, 0.0000046700000000, 0.0002516500000000 ] - [ -0.0000071700000000, 0.0000050000000000, 0.0003629700000000 ] - [ -0.0000066000000000, 0.0000049400000000, -0.0001632100000000 ] - [ -0.0000074900000000, 0.0000047200000000, 0.0000563700000000 ] - [ -0.0000065700000000, 0.0000046000000000, 0.0005269600000000 ] - [ 0.0026299900000000, 0.0000216600000000, -0.0003083800000000 ] - [ -0.0000066700000000, 0.0000047500000000, 0.0006073800000000 ] - [ -0.0000067300000000, 0.0000046400000000, 0.0000338400000000 ] - [ -0.0000654200000000, 0.0000047000000000, -0.0000141900000000 ] - [ -0.0000067800000000, 0.0000046900000000, 0.0006527600000000 ] - [ -0.0000067400000000, 0.0000045500000000, 0.0005548200000000 ] - [ -0.0000069600000000, 0.0000046900000000, 0.0002570800000000 ] - [ -0.0000069800000000, 0.0000050000000000, 0.0006687200000000 ] - [ 0.0603033900000000, -0.0009844400000000, -0.0004643800000000 ] - [ -0.0000063000000000, 0.0000049700000000, 0.0005090000000000 ] - [ -0.0000067500000000, 0.0000046700000000, 0.0005236100000000 ] - [ 0.0000618700000000, -0.0000012600000000, 0.0003293400000000 ] - [ -0.0000060600000000, 0.0000047600000000, 0.0001749100000000 ] - [ 0.0000046100000000, -0.0000017700000000, 0.0004853900000000 ] - [ 0.0006438000000000, -0.0000005100000000, -0.0000972900000000 ] - [ -0.0000014500000000, 0.0000048600000000, 0.0000896200000000 ] - [ 0.0000048100000000, -0.0000015200000000, 0.0004353400000000 ] - [ -0.0000074600000000, 0.0000049700000000, 0.0003538900000000 ] - [ -0.0000068000000000, 0.0000050300000000, 0.0008622100000000 ] - [ -0.0000069900000000, 0.0000051700000000, 0.0003349200000000 ] - [ -0.0000132700000000, 0.0000048700000000, 0.0002150500000000 ] - [ -0.0008702600000000, 0.0000039100000000, -0.0000314700000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010978300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013455700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005988300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009814900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007721200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004632700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018117800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008248100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006831400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0959978200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003698200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009046600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008519600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007394800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008930400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009746500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005289400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006830400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002683700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008603800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004715700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011734800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005227900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0562109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011315700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005181700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003691600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0333270700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005081700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011214400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009750100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006094200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006911000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008594000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001488700000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010152600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007959400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013711000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011685600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013323500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015254700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032428600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032390300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012999000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014115900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0913455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019847000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012450000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012581300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013646000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012156700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011241700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014300500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012481200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013254200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014380700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011338300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015844700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0541658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016665300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010960400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017231600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016013500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0326472700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015682800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014286200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012773900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015709300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009599800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011865900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015000300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019439000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014215000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012818100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002350600000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000126900000000, -0.0000076600000000, 0.0000504000000000 ] - [ -0.0000196800000000, 0.0000096000000000, 0.0002702300000000 ] - [ 0.0000126500000000, -0.0000077700000000, -0.0004446400000000 ] - [ -0.0000219000000000, 0.0000107800000000, -0.0002378100000000 ] - [ 0.0000118800000000, -0.0000072300000000, -0.0001024200000000 ] - [ 0.0000110200000000, -0.0000075200000000, -0.0002950500000000 ] - [ 0.0000113400000000, -0.0000075700000000, -0.0005945700000000 ] - [ -0.0001109700000000, -0.0000074300000000, -0.0004665800000000 ] - [ -0.0001665800000000, 0.0000000200000000, -0.0004381000000000 ] - [ 0.0000113600000000, -0.0000070300000000, -0.0002338600000000 ] - [ -0.0000171700000000, 0.0000096300000000, 0.0000121600000000 ] - [ -0.0000191300000000, 0.0000092400000000, -0.0007592700000000 ] - [ 0.0000106900000000, -0.0000070700000000, -0.0002790000000000 ] - [ 0.0000111000000000, -0.0000073200000000, -0.0003678600000000 ] - [ -0.0001103900000000, -0.0000077800000000, -0.0005552600000000 ] - [ -0.0615157700000000, 0.0009936500000000, -0.0000792500000000 ] - [ -0.0000182500000000, 0.0000095100000000, -0.0001777300000000 ] - [ 0.0000129300000000, -0.0000081500000000, -0.0001817700000000 ] - [ 0.0000126900000000, -0.0000078700000000, -0.0003040100000000 ] - [ 0.0000116800000000, -0.0000074500000000, 0.0001884500000000 ] - [ 0.0000111600000000, -0.0000073700000000, -0.0001554500000000 ] - [ 0.0000125400000000, -0.0000082500000000, -0.0000745200000000 ] - [ 0.0000137700000000, -0.0000077100000000, -0.0005708200000000 ] - [ -0.0001667100000000, -0.0000033800000000, -0.0006376200000000 ] - [ 0.0000125100000000, -0.0000072700000000, -0.0003543900000000 ] - [ 0.0000051600000000, -0.0000078700000000, -0.0007760300000000 ] - [ 0.0000128600000000, -0.0000078700000000, -0.0002050900000000 ] - [ 0.0000119300000000, -0.0000082300000000, 0.0000076300000000 ] - [ -0.0000090900000000, 0.0000046100000000, 0.0005941300000000 ] - [ -0.0000086300000000, 0.0000044500000000, 0.0002301600000000 ] - [ -0.0000092100000000, 0.0000052900000000, 0.0003470600000000 ] - [ -0.0000080500000000, 0.0000048400000000, -0.0001101300000000 ] - [ -0.0000672800000000, 0.0000046500000000, 0.0000508300000000 ] - [ -0.0000084800000000, 0.0000050100000000, 0.0005689300000000 ] - [ 0.0000393100000000, -0.0000018900000000, -0.0001779100000000 ] - [ -0.0000089900000000, 0.0000051600000000, 0.0005781300000000 ] - [ -0.0000145000000000, 0.0000047600000000, 0.0000326800000000 ] - [ 0.0607325400000000, -0.0009920700000000, -0.0006336700000000 ] - [ -0.0000091700000000, 0.0000047800000000, 0.0006303400000000 ] - [ -0.0000088700000000, 0.0000042500000000, 0.0005532600000000 ] - [ -0.0000085500000000, 0.0000045600000000, 0.0002721700000000 ] - [ -0.0000094300000000, 0.0000050000000000, 0.0006308800000000 ] - [ 0.0004580800000000, 0.0000052300000000, 0.0001478700000000 ] - [ -0.0000088800000000, 0.0000037200000000, 0.0004682800000000 ] - [ -0.0000088100000000, 0.0000045700000000, 0.0005268000000000 ] - [ 0.0000036000000000, -0.0000019200000000, 0.0003232800000000 ] - [ -0.0000093200000000, 0.0000047100000000, 0.0002051500000000 ] - [ 0.0000021100000000, -0.0000012600000000, 0.0004856100000000 ] - [ 0.0000028300000000, -0.0000019200000000, -0.0000803800000000 ] - [ -0.0000093000000000, 0.0000055000000000, 0.0001177300000000 ] - [ 0.0000036800000000, -0.0000017300000000, 0.0004579400000000 ] - [ -0.0000093700000000, 0.0000053000000000, 0.0002997800000000 ] - [ -0.0000089400000000, 0.0000050200000000, 0.0008586100000000 ] - [ -0.0000097300000000, 0.0000054600000000, 0.0003278200000000 ] - [ -0.0008751600000000, 0.0000037500000000, 0.0002079800000000 ] - [ 0.0018242100000000, 0.0000135300000000, -0.0001511300000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010686400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009278500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007408200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006979100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023605100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007857000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010986000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008107700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0960490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007129000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012619000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008835400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005095200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021250900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006480400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002711900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008477700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005244000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008687600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010691500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005898300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013089100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004373800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0331473100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004071600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005473900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003834700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008254100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004931300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009046700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010295100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007486300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001445400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007096200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003975200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0567767900000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014956900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011657900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013336400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032185900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018326800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012874100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017109400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0916634200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013708800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008331900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012030800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014389300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016667800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013281000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014382600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009292900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011808100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016728300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011166100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327562600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013260400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017522700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012012500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015700400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015997500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014279500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012817100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009502500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019605900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000020000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0544258100000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000122100000000, -0.0000067400000000, 0.0000567700000000 ] - [ -0.0000190900000000, 0.0000105200000000, 0.0002531300000000 ] - [ 0.0000120100000000, -0.0000068700000000, -0.0004506000000000 ] - [ -0.0001875900000000, 0.0000068500000000, -0.0002537700000000 ] - [ 0.0000119900000000, -0.0000062300000000, -0.0000915200000000 ] - [ 0.0000112100000000, -0.0000067500000000, -0.0002921900000000 ] - [ 0.0000124100000000, -0.0000062000000000, -0.0005788100000000 ] - [ 0.0000111500000000, -0.0000061000000000, -0.0004592400000000 ] - [ 0.0000124700000000, -0.0000069100000000, -0.0004603000000000 ] - [ 0.0000118200000000, -0.0000061600000000, -0.0002275600000000 ] - [ -0.0000177100000000, 0.0000104500000000, -0.0000082700000000 ] - [ -0.0001409600000000, 0.0000109000000000, -0.0007714400000000 ] - [ -0.0001274300000000, -0.0000056800000000, -0.0003287700000000 ] - [ 0.0000121500000000, -0.0000065100000000, -0.0003678700000000 ] - [ 0.0000014800000000, -0.0000068700000000, -0.0005407700000000 ] - [ 0.0000108600000000, -0.0000064600000000, -0.0007826700000000 ] - [ -0.0614136100000000, -0.0009936000000000, 0.0006377000000000 ] - [ 0.0000036900000000, -0.0000062400000000, -0.0001688300000000 ] - [ 0.0000124800000000, -0.0000065500000000, -0.0002965700000000 ] - [ 0.0000117600000000, -0.0000064400000000, 0.0001502900000000 ] - [ 0.0000105500000000, -0.0000069100000000, -0.0000953300000000 ] - [ 0.0000137200000000, -0.0000072000000000, -0.0000745700000000 ] - [ -0.0008944100000000, 0.0000048700000000, -0.0006050100000000 ] - [ 0.0000138100000000, -0.0000076300000000, -0.0006066800000000 ] - [ 0.0000107100000000, -0.0000058300000000, -0.0003158000000000 ] - [ 0.0000129300000000, -0.0000068300000000, -0.0007806600000000 ] - [ 0.0000132700000000, -0.0000070400000000, -0.0002252700000000 ] - [ 0.0000121800000000, -0.0000072800000000, -0.0000399600000000 ] - [ -0.0000085000000000, 0.0000052900000000, 0.0005787500000000 ] - [ -0.0000084700000000, 0.0000054300000000, 0.0002236100000000 ] - [ 0.0000484600000000, 0.0000063100000000, 0.0003268200000000 ] - [ 0.0006302000000000, 0.0000045400000000, -0.0000991400000000 ] - [ -0.0000079200000000, 0.0000054900000000, 0.0000469600000000 ] - [ -0.0000083000000000, 0.0000056900000000, 0.0005635100000000 ] - [ -0.0000584300000000, -0.0000003900000000, -0.0001746000000000 ] - [ -0.0000044600000000, 0.0000064500000000, 0.0005697400000000 ] - [ -0.0000088900000000, 0.0000058300000000, 0.0000277400000000 ] - [ -0.0000085000000000, 0.0000054600000000, -0.0000540000000000 ] - [ -0.0000084600000000, 0.0000058100000000, 0.0006242400000000 ] - [ -0.0000078500000000, 0.0000051900000000, 0.0005606800000000 ] - [ -0.0000092400000000, 0.0000054800000000, 0.0002648000000000 ] - [ -0.0000084900000000, 0.0000061800000000, 0.0006406900000000 ] - [ -0.0000101100000000, 0.0000059800000000, 0.0001458700000000 ] - [ -0.0000083300000000, 0.0000046000000000, 0.0004612500000000 ] - [ -0.0000081100000000, 0.0000054400000000, 0.0005329100000000 ] - [ 0.0603563100000000, 0.0009896700000000, -0.0002770700000000 ] - [ -0.0000086200000000, 0.0000057800000000, 0.0002331200000000 ] - [ 0.0000026300000000, -0.0000006200000000, 0.0004731000000000 ] - [ -0.0008610200000000, -0.0000001400000000, -0.0000647700000000 ] - [ 0.0026153800000000, -0.0000169500000000, 0.0000000200000000 ] - [ 0.0000029600000000, -0.0000006300000000, 0.0004898900000000 ] - [ -0.0000098800000000, 0.0000055600000000, 0.0002891000000000 ] - [ -0.0000083100000000, 0.0000060500000000, 0.0008504400000000 ] - [ -0.0000095900000000, 0.0000068100000000, 0.0003220400000000 ] - [ -0.0000091900000000, 0.0000053200000000, 0.0001966900000000 ] - [ -0.0000093400000000, 0.0000058100000000, -0.0000278600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005788700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009217200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007601700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004345000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005685600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005985100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010847200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004360900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006735000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005176200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002313800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0945823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008478900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007242100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012510100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008746000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009547700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019921100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002559400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008387900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008166800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010195400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013260900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004814900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010441100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004162400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005362100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008268100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009666000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0334915800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001007800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0564700300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006268500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006993300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002162300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007328400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008648700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011123900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010273000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008145800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015084600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030218600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015223800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019484500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014171400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014291200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018617600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0921765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012966400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013839400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008476500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011411200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017123500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014555600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018525400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010541800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016324300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013074600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014443100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011197700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015978500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009354200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016831700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010789300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010415100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017228500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013243100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017367400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015637200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016085300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0324420500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012621400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015643600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003090000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0538940300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014971400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014182800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014178700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012731700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010321000000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000137300000000, -0.0000076800000000, 0.0000408100000000 ] - [ -0.0000174100000000, 0.0000098900000000, 0.0002614800000000 ] - [ 0.0000142500000000, -0.0000079200000000, -0.0004490300000000 ] - [ -0.0000172600000000, 0.0000109800000000, -0.0002286800000000 ] - [ 0.0000132200000000, -0.0000073200000000, -0.0001151900000000 ] - [ 0.0000136000000000, -0.0000074800000000, -0.0002977700000000 ] - [ 0.0000139700000000, -0.0000077900000000, -0.0005901800000000 ] - [ 0.0000125500000000, -0.0000072000000000, -0.0004659700000000 ] - [ 0.0000140300000000, -0.0000082100000000, -0.0004622700000000 ] - [ 0.0000128300000000, -0.0000073800000000, -0.0002445500000000 ] - [ -0.0000179800000000, 0.0000093400000000, 0.0000440500000000 ] - [ -0.0000181200000000, 0.0000093000000000, -0.0007442900000000 ] - [ -0.0001641500000000, -0.0000024100000000, -0.0002393900000000 ] - [ 0.0000130700000000, -0.0000073900000000, -0.0003786200000000 ] - [ 0.0000143900000000, -0.0000076800000000, -0.0005284700000000 ] - [ 0.0000132400000000, -0.0000068700000000, -0.0007966600000000 ] - [ -0.0000255900000000, 0.0000097500000000, -0.0001603100000000 ] - [ -0.0616603500000000, 0.0009995300000000, 0.0004378700000000 ] - [ 0.0000136500000000, -0.0000080900000000, -0.0003098300000000 ] - [ 0.0000129500000000, -0.0000072800000000, 0.0002177100000000 ] - [ -0.0001086100000000, -0.0000071200000000, -0.0001396800000000 ] - [ 0.0000135000000000, -0.0000082900000000, -0.0000831800000000 ] - [ -0.0001080400000000, -0.0000082600000000, -0.0005573800000000 ] - [ 0.0000147900000000, -0.0000085200000000, -0.0006321000000000 ] - [ -0.0001633200000000, 0.0000002200000000, -0.0003797700000000 ] - [ 0.0000141300000000, -0.0000078900000000, -0.0007844400000000 ] - [ 0.0000143300000000, -0.0000079800000000, -0.0002130500000000 ] - [ 0.0000136300000000, -0.0000083600000000, 0.0000162100000000 ] - [ -0.0000066000000000, 0.0000046200000000, 0.0005999500000000 ] - [ -0.0000076200000000, 0.0000042000000000, 0.0002289300000000 ] - [ 0.0607961900000000, -0.0009932400000000, -0.0002224500000000 ] - [ -0.0008734000000000, 0.0000042900000000, -0.0002372500000000 ] - [ -0.0000075200000000, 0.0000045300000000, 0.0000475700000000 ] - [ -0.0000073800000000, 0.0000043500000000, 0.0004900700000000 ] - [ 0.0000044800000000, -0.0000017600000000, -0.0001835900000000 ] - [ 0.0018141300000000, 0.0000134300000000, 0.0004939100000000 ] - [ -0.0000074200000000, 0.0000041100000000, 0.0000372200000000 ] - [ -0.0000078600000000, 0.0000046100000000, 0.0000002800000000 ] - [ -0.0000065700000000, 0.0000044400000000, 0.0006397700000000 ] - [ -0.0000066600000000, 0.0000041900000000, 0.0005855300000000 ] - [ -0.0000072100000000, 0.0000044000000000, 0.0002818400000000 ] - [ -0.0000071800000000, 0.0000049200000000, 0.0006525700000000 ] - [ -0.0000066400000000, 0.0000049300000000, 0.0001512100000000 ] - [ 0.0004607300000000, 0.0000042400000000, 0.0005463000000000 ] - [ -0.0000064900000000, 0.0000044900000000, 0.0005334300000000 ] - [ 0.0000017200000000, -0.0000013900000000, 0.0003525700000000 ] - [ -0.0000062800000000, 0.0000050200000000, 0.0001768000000000 ] - [ 0.0000403600000000, -0.0000016600000000, 0.0005083000000000 ] - [ 0.0000031100000000, -0.0000020800000000, -0.0001238000000000 ] - [ -0.0000685600000000, 0.0000049500000000, 0.0000905700000000 ] - [ 0.0000054700000000, -0.0000016500000000, 0.0004127600000000 ] - [ -0.0000075600000000, 0.0000050700000000, 0.0003028000000000 ] - [ -0.0000078300000000, 0.0000047300000000, 0.0008861700000000 ] - [ -0.0000078300000000, 0.0000049200000000, 0.0003377600000000 ] - [ -0.0000079300000000, 0.0000047600000000, 0.0002198800000000 ] - [ -0.0000066400000000, 0.0000047000000000, -0.0000264400000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013635900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009589900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007724000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006092500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006237600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008273300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003322200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025582900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005494300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009277400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0971872400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007429100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012935800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010643000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009891400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006537100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004210700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004868100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0335380700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000474100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009882100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012501900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0575118600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010343100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003883300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005125100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003782200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008945000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005068800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004745000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007045600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008718900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005789700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010271500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006421600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007077500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006694200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008362400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010582200000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008186800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015312400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011649700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016642700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015265400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013075400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010609300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018339200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014320700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018549500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012611800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0933666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008802000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013590000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011535800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017043700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012801100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010709100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015950700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012646500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0323900600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003812800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010946600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008917400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0538422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010577600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010413500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015203300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013383500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017940000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012198800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014984100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016580200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014258100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016078300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009273400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012124600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014916900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013330200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019670900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012510900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010358200000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001644600000000, -0.0000026300000000, 0.0000551300000000 ] - [ -0.0000160100000000, 0.0000094700000000, 0.0002572700000000 ] - [ 0.0000156700000000, -0.0000079800000000, -0.0004540000000000 ] - [ -0.0000152600000000, 0.0000105800000000, -0.0002493800000000 ] - [ -0.0001649600000000, 0.0000004900000000, -0.0000801100000000 ] - [ 0.0000137400000000, -0.0000076900000000, -0.0002817400000000 ] - [ 0.0000150700000000, -0.0000069900000000, -0.0005723000000000 ] - [ 0.0000135900000000, -0.0000070400000000, -0.0004521000000000 ] - [ 0.0000154500000000, -0.0000077400000000, -0.0004585000000000 ] - [ 0.0000073200000000, -0.0000068500000000, -0.0002228500000000 ] - [ -0.0000155400000000, 0.0000093700000000, -0.0000150400000000 ] - [ -0.0000159500000000, 0.0000091900000000, -0.0007671500000000 ] - [ 0.0000141600000000, -0.0000066600000000, -0.0003592000000000 ] - [ 0.0000133000000000, -0.0000075200000000, -0.0003502300000000 ] - [ 0.0000144500000000, -0.0000080300000000, -0.0005389200000000 ] - [ 0.0000145400000000, -0.0000075100000000, -0.0007791200000000 ] - [ -0.0000146400000000, 0.0000087600000000, -0.0001551600000000 ] - [ 0.0000164900000000, -0.0000070000000000, -0.0001621000000000 ] - [ -0.0616502200000000, 0.0009967500000000, 0.0004380100000000 ] - [ -0.0001083500000000, -0.0000077800000000, 0.0001312700000000 ] - [ 0.0000136400000000, -0.0000082700000000, -0.0000862500000000 ] - [ -0.0001062800000000, -0.0000082700000000, -0.0000685900000000 ] - [ 0.0000138800000000, -0.0000077200000000, -0.0006281900000000 ] - [ 0.0000157400000000, -0.0000086600000000, -0.0005988900000000 ] - [ 0.0000141700000000, -0.0000065400000000, -0.0002900600000000 ] - [ 0.0000156600000000, -0.0000076800000000, -0.0007900900000000 ] - [ 0.0000145500000000, -0.0000080100000000, -0.0002354400000000 ] - [ 0.0000070100000000, -0.0000082800000000, -0.0000549000000000 ] - [ 0.0000364400000000, 0.0000043400000000, 0.0005902900000000 ] - [ -0.0000053000000000, 0.0000046400000000, 0.0002385100000000 ] - [ -0.0000066100000000, 0.0000054900000000, 0.0003049400000000 ] - [ -0.0000056700000000, 0.0000052100000000, -0.0000347000000000 ] - [ -0.0000057200000000, 0.0000044000000000, 0.0000477300000000 ] - [ -0.0000652400000000, 0.0000047500000000, 0.0005997700000000 ] - [ 0.0000049600000000, -0.0000014700000000, -0.0001741300000000 ] - [ -0.0000062100000000, 0.0000051700000000, 0.0005560400000000 ] - [ -0.0000058400000000, 0.0000049600000000, 0.0000317200000000 ] - [ -0.0000061900000000, 0.0000044000000000, -0.0000690500000000 ] - [ 0.0607202300000000, -0.0009917400000000, 0.0000234400000000 ] - [ 0.0018295300000000, 0.0000130400000000, 0.0004159500000000 ] - [ -0.0000061600000000, 0.0000042900000000, 0.0002529300000000 ] - [ 0.0004602300000000, 0.0000046500000000, 0.0006390800000000 ] - [ -0.0000061900000000, 0.0000047100000000, 0.0001406100000000 ] - [ -0.0000067300000000, 0.0000029500000000, 0.0004301900000000 ] - [ -0.0000017200000000, 0.0000043400000000, 0.0005339400000000 ] - [ 0.0000049500000000, -0.0000015700000000, 0.0003164400000000 ] - [ -0.0000132300000000, 0.0000044800000000, 0.0002483100000000 ] - [ 0.0000052900000000, -0.0000016900000000, 0.0004559900000000 ] - [ 0.0000043600000000, -0.0000021600000000, -0.0000483900000000 ] - [ -0.0000068400000000, 0.0000055400000000, 0.0001377200000000 ] - [ 0.0000049200000000, -0.0000015400000000, 0.0005148300000000 ] - [ -0.0000070000000000, 0.0000045200000000, 0.0003047000000000 ] - [ -0.0008725900000000, 0.0000040500000000, 0.0008370800000000 ] - [ -0.0000067400000000, 0.0000058500000000, 0.0003178000000000 ] - [ -0.0000066900000000, 0.0000042400000000, 0.0001852900000000 ] - [ -0.0000070100000000, 0.0000043700000000, -0.0000284200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0028233700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013425700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027275300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007730600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004555200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005931400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006162200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003214000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006986800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0966149600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013986200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005225700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004162300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006774600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005634200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012589700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004434900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0338578500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0573141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008952000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005673700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011617700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009851500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006440100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010771300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007154700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008316700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010776000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0027878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008020000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015199600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012623600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028986100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013385600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015071600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013344300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010308200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018239000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013034200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014236600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016003000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012666000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0928165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009803300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012685200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016387900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017033100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018381800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010822400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016797100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013183200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011143000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016518100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008900500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016685500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010833400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010354100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0320925700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0538544800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013043800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017061600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015897700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013966500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011628700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015035600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014529500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006383300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012673900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010264700000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001651600000000, 0.0000000500000000, 0.0000523400000000 ] - [ -0.0000221200000000, 0.0000099000000000, 0.0002661500000000 ] - [ 0.0000139500000000, -0.0000078300000000, -0.0004442500000000 ] - [ -0.0000175300000000, 0.0000109800000000, -0.0002282300000000 ] - [ 0.0000065000000000, -0.0000070600000000, -0.0001107400000000 ] - [ 0.0000136200000000, -0.0000073900000000, -0.0002967600000000 ] - [ 0.0000133100000000, -0.0000076200000000, -0.0005910500000000 ] - [ 0.0000134600000000, -0.0000070400000000, -0.0004636300000000 ] - [ 0.0000137500000000, -0.0000078900000000, -0.0004568100000000 ] - [ 0.0000120500000000, -0.0000072400000000, -0.0002450000000000 ] - [ -0.0001543300000000, 0.0000092800000000, 0.0000306300000000 ] - [ -0.0000186400000000, 0.0000091800000000, -0.0007462900000000 ] - [ 0.0000117800000000, -0.0000073600000000, -0.0002545100000000 ] - [ 0.0000126000000000, -0.0000072900000000, -0.0003770800000000 ] - [ 0.0000130400000000, -0.0000077100000000, -0.0005339800000000 ] - [ 0.0000130700000000, -0.0000070700000000, -0.0007950100000000 ] - [ -0.0000160000000000, 0.0000094900000000, -0.0001645400000000 ] - [ 0.0000138300000000, -0.0000082300000000, -0.0001919200000000 ] - [ -0.0001089000000000, -0.0000080000000000, -0.0003107000000000 ] - [ -0.0616221800000000, 0.0009950700000000, 0.0008318800000000 ] - [ 0.0000101200000000, -0.0000075200000000, -0.0001374100000000 ] - [ 0.0000135300000000, -0.0000081900000000, -0.0000802100000000 ] - [ 0.0000144100000000, -0.0000078100000000, -0.0005641900000000 ] - [ 0.0000149700000000, -0.0000084600000000, -0.0006330500000000 ] - [ 0.0000129200000000, -0.0000073100000000, -0.0003758500000000 ] - [ 0.0000141100000000, -0.0000079100000000, -0.0007825200000000 ] - [ 0.0000155500000000, -0.0000077700000000, -0.0002067000000000 ] - [ -0.0001674900000000, -0.0000031200000000, 0.0000089400000000 ] - [ -0.0000068200000000, 0.0000047200000000, 0.0005906000000000 ] - [ -0.0000072300000000, 0.0000044600000000, 0.0002390300000000 ] - [ -0.0000082800000000, 0.0000049100000000, 0.0003766300000000 ] - [ -0.0000072400000000, 0.0000052300000000, -0.0001735200000000 ] - [ -0.0000068600000000, 0.0000047000000000, 0.0000525400000000 ] - [ 0.0607590200000000, -0.0009927100000000, -0.0000729700000000 ] - [ 0.0000042400000000, -0.0000018200000000, -0.0001826700000000 ] - [ -0.0000081500000000, 0.0000047100000000, 0.0005919800000000 ] - [ -0.0000072900000000, 0.0000046300000000, 0.0000352700000000 ] - [ -0.0000075400000000, 0.0000046800000000, -0.0000137700000000 ] - [ 0.0004592800000000, 0.0000041800000000, 0.0006418700000000 ] - [ 0.0000352600000000, 0.0000044400000000, 0.0005554000000000 ] - [ -0.0000070500000000, 0.0000046500000000, 0.0002683200000000 ] - [ -0.0000038200000000, 0.0000049600000000, 0.0006572700000000 ] - [ -0.0000067600000000, 0.0000048200000000, 0.0001446600000000 ] - [ -0.0000073400000000, 0.0000047300000000, 0.0005063400000000 ] - [ -0.0000068600000000, 0.0000045500000000, 0.0005320300000000 ] - [ 0.0000036000000000, -0.0000014100000000, 0.0003398200000000 ] - [ -0.0008774000000000, 0.0000042000000000, 0.0001934000000000 ] - [ -0.0000011600000000, -0.0000017000000000, 0.0004991000000000 ] - [ 0.0000039500000000, -0.0000019600000000, -0.0001031300000000 ] - [ -0.0000077600000000, 0.0000050800000000, 0.0001001600000000 ] - [ -0.0000340200000000, -0.0000014800000000, 0.0004308500000000 ] - [ -0.0000075200000000, 0.0000049100000000, 0.0003301700000000 ] - [ 0.0018230400000000, 0.0000137600000000, 0.0007485000000000 ] - [ -0.0000078800000000, 0.0000051700000000, 0.0003335400000000 ] - [ -0.0000081200000000, 0.0000047900000000, 0.0002094900000000 ] - [ -0.0000075400000000, 0.0000046800000000, -0.0000304300000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0028687200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006069500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009659400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004619100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005863400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008096000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012171600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003109400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002578900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008867200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008696900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0958475700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009756300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005166100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006708600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002646600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008567700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028254900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004940800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008195300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006627700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012299800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010098100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0336988200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012689000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004568800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010366500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010725000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005474100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007969700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004053500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009118900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005835200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007152200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005566600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009891000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007134300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0576826100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007041400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008526600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010666200000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0027282100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008002500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015071300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012630700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011827500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015126600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018044500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013075400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014148700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015772200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018441400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012153600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014992900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0926205700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011939400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016348900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016925200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014258700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018391600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012430400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014567700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011296800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0322218200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009056100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010904500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016901700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015881300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014304500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015280800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014149800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0534882100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010521300000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000144500000000, -0.0000077300000000, 0.0000344800000000 ] - [ -0.0009233600000000, -0.0000013100000000, 0.0002776200000000 ] - [ 0.0000148000000000, -0.0000079000000000, -0.0004490400000000 ] - [ -0.0000162600000000, 0.0000111100000000, -0.0002205100000000 ] - [ 0.0000138200000000, -0.0000072500000000, -0.0001136800000000 ] - [ 0.0000142700000000, -0.0000075700000000, -0.0002970200000000 ] - [ 0.0000148200000000, -0.0000078500000000, -0.0006012300000000 ] - [ 0.0000140200000000, -0.0000072200000000, -0.0004708600000000 ] - [ 0.0000151700000000, -0.0000078500000000, -0.0004482400000000 ] - [ 0.0000136600000000, -0.0000073400000000, -0.0002493000000000 ] - [ -0.0001534200000000, 0.0000095500000000, 0.0000303500000000 ] - [ -0.0000169700000000, 0.0000092700000000, -0.0007532300000000 ] - [ 0.0000070800000000, -0.0000075400000000, -0.0002432500000000 ] - [ 0.0000144200000000, -0.0000074600000000, -0.0003873200000000 ] - [ 0.0000145100000000, -0.0000077900000000, -0.0005488200000000 ] - [ 0.0000132600000000, -0.0000069200000000, -0.0008121200000000 ] - [ -0.0000161300000000, 0.0000099800000000, -0.0001807800000000 ] - [ -0.0001071700000000, -0.0000088100000000, -0.0002107800000000 ] - [ 0.0000141200000000, -0.0000080800000000, -0.0003183500000000 ] - [ 0.0000111700000000, -0.0000075700000000, 0.0002080800000000 ] - [ -0.0615261200000000, 0.0009973700000000, 0.0005804900000000 ] - [ 0.0000157600000000, -0.0000083300000000, -0.0000845200000000 ] - [ 0.0000143300000000, -0.0000081100000000, -0.0005515500000000 ] - [ 0.0000156900000000, -0.0000084300000000, -0.0006453700000000 ] - [ -0.0001536500000000, -0.0000025900000000, -0.0003833500000000 ] - [ 0.0000152600000000, -0.0000081000000000, -0.0007849300000000 ] - [ 0.0000145800000000, -0.0000080000000000, -0.0001966300000000 ] - [ 0.0000148100000000, -0.0000083100000000, 0.0000196100000000 ] - [ -0.0000057700000000, 0.0000045200000000, 0.0006003100000000 ] - [ -0.0000062600000000, 0.0000039100000000, 0.0002567200000000 ] - [ -0.0000655900000000, 0.0000054600000000, 0.0003438900000000 ] - [ -0.0000127600000000, 0.0000054600000000, -0.0001627900000000 ] - [ -0.0000059200000000, 0.0000047800000000, 0.0000620300000000 ] - [ -0.0000041000000000, 0.0000046100000000, 0.0005324100000000 ] - [ 0.0000056100000000, -0.0000022100000000, -0.0001839800000000 ] - [ -0.0008714600000000, 0.0000045900000000, 0.0006190200000000 ] - [ -0.0000067500000000, 0.0000046500000000, 0.0000392600000000 ] - [ -0.0000071700000000, 0.0000035700000000, -0.0000230900000000 ] - [ -0.0000063400000000, 0.0000044600000000, 0.0006483800000000 ] - [ -0.0000055600000000, 0.0000042000000000, 0.0005521200000000 ] - [ -0.0000064900000000, 0.0000044400000000, 0.0002609700000000 ] - [ -0.0000062900000000, 0.0000052300000000, 0.0006595700000000 ] - [ -0.0000066200000000, 0.0000048600000000, 0.0001545300000000 ] - [ 0.0603676200000000, -0.0009866300000000, -0.0000837600000000 ] - [ -0.0000055000000000, 0.0000044000000000, 0.0005251000000000 ] - [ 0.0000052700000000, -0.0000019600000000, 0.0003271400000000 ] - [ 0.0000437200000000, 0.0000044700000000, 0.0001614500000000 ] - [ 0.0026276200000000, 0.0000216400000000, 0.0003564400000000 ] - [ 0.0000044700000000, -0.0000025800000000, -0.0000908300000000 ] - [ -0.0000074100000000, 0.0000055800000000, 0.0000814200000000 ] - [ 0.0006432000000000, -0.0000004500000000, 0.0004526800000000 ] - [ -0.0000072100000000, 0.0000043200000000, 0.0003223600000000 ] - [ -0.0000053500000000, 0.0000046300000000, 0.0008489200000000 ] - [ -0.0000071900000000, 0.0000059100000000, 0.0003331800000000 ] - [ -0.0000072400000000, 0.0000044200000000, 0.0002295500000000 ] - [ -0.0000074500000000, 0.0000045200000000, -0.0000227600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028300500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008478000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004628600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005932500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012087700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002538900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008903600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009735300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007460000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0956901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009766800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004154400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023953600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008703300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004710700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008083800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007442500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012141800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010042200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012601200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010717200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003980600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003935200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0336890700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0569020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011621400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009869500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006931800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001768500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010767200000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010434300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022090300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015222700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016708200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015489700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015175900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013409000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011789000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018351700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013584600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014590100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012505200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014052500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013895900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008803100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0930900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011458300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016552700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017183300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018643300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012556600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013091300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014537500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015893900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008799100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010794600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012905800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017235400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011852100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0322974600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015692100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013738200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0535225700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009517100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013807000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010040400000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000070200000000, -0.0000076100000000, 0.0000296400000000 ] - [ -0.0000179800000000, 0.0000100500000000, 0.0002689700000000 ] - [ 0.0000129600000000, -0.0000078500000000, -0.0004576600000000 ] - [ -0.0000166700000000, 0.0000107800000000, -0.0002132500000000 ] - [ -0.0001676300000000, -0.0000020500000000, -0.0001244900000000 ] - [ 0.0000126700000000, -0.0000076100000000, -0.0002888400000000 ] - [ 0.0000145100000000, -0.0000075600000000, -0.0006048300000000 ] - [ 0.0000130300000000, -0.0000071500000000, -0.0004724900000000 ] - [ 0.0000144600000000, -0.0000078400000000, -0.0004507100000000 ] - [ -0.0001684400000000, 0.0000003700000000, -0.0002462200000000 ] - [ -0.0000144700000000, 0.0000095000000000, 0.0000356200000000 ] - [ -0.0000170300000000, 0.0000092400000000, -0.0007488800000000 ] - [ 0.0000128900000000, -0.0000074200000000, -0.0002453600000000 ] - [ 0.0000057500000000, -0.0000072800000000, -0.0003689700000000 ] - [ 0.0000140900000000, -0.0000077400000000, -0.0005402400000000 ] - [ 0.0000122400000000, -0.0000072100000000, -0.0008107600000000 ] - [ -0.0000157100000000, 0.0000093800000000, -0.0001753600000000 ] - [ 0.0000131900000000, -0.0000083300000000, -0.0002098300000000 ] - [ -0.0001090000000000, -0.0000083700000000, -0.0003146500000000 ] - [ 0.0000121900000000, -0.0000072800000000, 0.0002098300000000 ] - [ 0.0000132600000000, -0.0000073000000000, -0.0001663500000000 ] - [ -0.0615686900000000, 0.0009978700000000, 0.0007322600000000 ] - [ 0.0000140200000000, -0.0000080600000000, -0.0005587800000000 ] - [ 0.0000148900000000, -0.0000083100000000, -0.0006451800000000 ] - [ 0.0000134500000000, -0.0000072700000000, -0.0003810000000000 ] - [ 0.0000133800000000, -0.0000080600000000, -0.0007868900000000 ] - [ -0.0001081200000000, -0.0000080300000000, -0.0002058900000000 ] - [ 0.0000131600000000, -0.0000084400000000, 0.0000197200000000 ] - [ 0.0018356800000000, 0.0000133000000000, 0.0004651100000000 ] - [ -0.0000068500000000, 0.0000044300000000, 0.0002513700000000 ] - [ -0.0000081100000000, 0.0000048300000000, 0.0003587100000000 ] - [ -0.0000075000000000, 0.0000047600000000, -0.0001584100000000 ] - [ -0.0000072400000000, 0.0000046000000000, 0.0000506900000000 ] - [ -0.0000082300000000, 0.0000043700000000, 0.0005279500000000 ] - [ 0.0000040200000000, -0.0000021400000000, -0.0001844000000000 ] - [ -0.0000074900000000, 0.0000045200000000, 0.0006012100000000 ] - [ -0.0000068100000000, 0.0000045500000000, 0.0000304200000000 ] - [ -0.0000074600000000, 0.0000046200000000, -0.0000138500000000 ] - [ -0.0000665700000000, 0.0000044000000000, 0.0006512700000000 ] - [ -0.0008734100000000, 0.0000036400000000, 0.0005526200000000 ] - [ -0.0000033000000000, 0.0000044400000000, 0.0002510600000000 ] - [ 0.0606949700000000, -0.0009912300000000, 0.0000637300000000 ] - [ -0.0000069000000000, 0.0000048100000000, 0.0001332700000000 ] - [ -0.0000071900000000, 0.0000047400000000, 0.0005004300000000 ] - [ 0.0004593400000000, 0.0000039500000000, 0.0005192300000000 ] - [ 0.0000037800000000, -0.0000012800000000, 0.0003224000000000 ] - [ -0.0000072300000000, 0.0000047600000000, 0.0001742600000000 ] - [ 0.0000040400000000, -0.0000017700000000, 0.0004820100000000 ] - [ 0.0000037600000000, -0.0000019200000000, -0.0001007400000000 ] - [ -0.0000070800000000, 0.0000048200000000, 0.0000860800000000 ] - [ 0.0000041700000000, -0.0000013900000000, 0.0004320400000000 ] - [ 0.0000344100000000, 0.0000047600000000, 0.0003606500000000 ] - [ -0.0000139300000000, 0.0000048800000000, 0.0008541800000000 ] - [ -0.0000076100000000, 0.0000049300000000, 0.0003309600000000 ] - [ -0.0000074000000000, 0.0000047100000000, 0.0002140600000000 ] - [ -0.0000073000000000, 0.0000045000000000, -0.0000357300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006147000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026931400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007579100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004442800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006134800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025797300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011378200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008479700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002858300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008364200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009530200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0961545400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006381200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009913200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010710100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0572490100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008661400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006121200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013511900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004014000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010622400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004373300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007815600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0339022600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004703700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009112200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004671200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012876100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007327400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008282100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010692800000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010467700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008257300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029120700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013571500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016654100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015421000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015127400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010215200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012891200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018581100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012239000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012670100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015231800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008404300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0933505300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016626300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014501700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018688300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013951100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010803700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0537027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012833000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014538800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007337300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010819700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008707500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017435900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010470800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0320257100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012398000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016328000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010744700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020081700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014454400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012180800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010899500000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000130900000000, -0.0000075600000000, 0.0000353300000000 ] - [ -0.0000188300000000, 0.0000099900000000, 0.0002687200000000 ] - [ 0.0000134600000000, -0.0000078800000000, -0.0004486000000000 ] - [ 0.0000425400000000, 0.0000116500000000, -0.0002144400000000 ] - [ 0.0000122300000000, -0.0000072700000000, -0.0001145000000000 ] - [ 0.0000126000000000, -0.0000074500000000, -0.0002929100000000 ] - [ 0.0000123400000000, -0.0000077300000000, -0.0006014300000000 ] - [ 0.0000123500000000, -0.0000072300000000, -0.0004708300000000 ] - [ 0.0000129100000000, -0.0000079700000000, -0.0004419800000000 ] - [ 0.0000114700000000, -0.0000073600000000, -0.0002484300000000 ] - [ -0.0000169400000000, 0.0000095500000000, 0.0000390400000000 ] - [ -0.0000184000000000, 0.0000092200000000, -0.0007516200000000 ] - [ -0.0001682800000000, 0.0000003400000000, -0.0002317200000000 ] - [ 0.0000126200000000, -0.0000075300000000, -0.0003746500000000 ] - [ 0.0000119700000000, -0.0000078200000000, -0.0005369300000000 ] - [ 0.0000130400000000, -0.0000070400000000, -0.0008025700000000 ] - [ -0.0009234700000000, 0.0000113600000000, -0.0001697700000000 ] - [ -0.0001091900000000, -0.0000084800000000, -0.0002065600000000 ] - [ 0.0000112600000000, -0.0000080500000000, -0.0003159100000000 ] - [ 0.0000124400000000, -0.0000072200000000, 0.0002153800000000 ] - [ 0.0000113100000000, -0.0000070100000000, -0.0001660100000000 ] - [ 0.0000133700000000, -0.0000082900000000, -0.0000831400000000 ] - [ -0.0612638900000000, 0.0009950000000000, 0.0001157600000000 ] - [ 0.0000131600000000, -0.0000084600000000, -0.0006460500000000 ] - [ 0.0000053900000000, -0.0000072400000000, -0.0003782700000000 ] - [ 0.0000132800000000, -0.0000078800000000, -0.0007795700000000 ] - [ 0.0000134400000000, -0.0000079700000000, -0.0001983100000000 ] - [ 0.0000128900000000, -0.0000084000000000, 0.0000266200000000 ] - [ -0.0000079800000000, 0.0000047700000000, 0.0006021500000000 ] - [ -0.0000087300000000, 0.0000042300000000, 0.0002480600000000 ] - [ 0.0004594600000000, 0.0000043800000000, 0.0003681900000000 ] - [ 0.0017922600000000, 0.0000139100000000, -0.0003075000000000 ] - [ -0.0000083000000000, 0.0000045500000000, 0.0000549500000000 ] - [ -0.0000077300000000, 0.0000046900000000, 0.0005255300000000 ] - [ 0.0000038200000000, -0.0000020100000000, -0.0001842500000000 ] - [ 0.0000342400000000, 0.0000048600000000, 0.0006088300000000 ] - [ -0.0000083300000000, 0.0000042200000000, 0.0000355300000000 ] - [ -0.0000084700000000, 0.0000044900000000, -0.0000087500000000 ] - [ -0.0000075200000000, 0.0000044100000000, 0.0006542400000000 ] - [ -0.0000072500000000, 0.0000041600000000, 0.0005548900000000 ] - [ -0.0000083600000000, 0.0000047700000000, 0.0002550800000000 ] - [ -0.0000081200000000, 0.0000050100000000, 0.0006668500000000 ] - [ -0.0000083100000000, 0.0000050500000000, 0.0001416000000000 ] - [ -0.0000040500000000, 0.0000044500000000, 0.0005134200000000 ] - [ -0.0000080800000000, 0.0000045700000000, 0.0005229600000000 ] - [ 0.0001755800000000, 0.0000032000000000, 0.0003281400000000 ] - [ -0.0000086700000000, 0.0000047600000000, 0.0001703700000000 ] - [ 0.0000028600000000, -0.0000015800000000, 0.0004876000000000 ] - [ -0.0000047300000000, -0.0000017100000000, -0.0001101800000000 ] - [ 0.0599166800000000, -0.0009932800000000, -0.0005188600000000 ] - [ 0.0000036900000000, -0.0000016500000000, 0.0004246400000000 ] - [ -0.0000091100000000, 0.0000055100000000, 0.0003542900000000 ] - [ -0.0000082600000000, 0.0000047400000000, 0.0008609900000000 ] - [ -0.0000085800000000, 0.0000048900000000, 0.0003329700000000 ] - [ -0.0000080100000000, 0.0000047400000000, 0.0002221900000000 ] - [ -0.0000081500000000, 0.0000045900000000, -0.0000306300000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011093800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013658100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006206100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010360900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004744600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006083900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006379000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003633800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026230200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005448500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002682900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023530000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009967700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009982800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0975382500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004348000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007332600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002921100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008799400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011198500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004666600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006672600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0569062800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010320900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010877500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004031600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008130200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003805700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009353700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005940800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010346000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005981000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012019200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0331583200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006302800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006925700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008545100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010976500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010453700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008184800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015335800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014453100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015269200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010454200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018535900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014440000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016263300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018890000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013968300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011587400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0930750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018574900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012746400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010718900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0547083300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011344600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009103000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017003800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011044200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010530100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017310000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016147800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013262800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015729600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016024800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004142400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015613500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325466400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015258300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014482500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019232000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014166200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010365700000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000140100000000, -0.0000077700000000, 0.0000683700000000 ] - [ -0.0000186600000000, 0.0000094000000000, 0.0002730300000000 ] - [ 0.0000110000000000, -0.0000078900000000, -0.0004610700000000 ] - [ -0.0000188700000000, 0.0000105200000000, -0.0002765500000000 ] - [ 0.0000125800000000, -0.0000073500000000, -0.0000756400000000 ] - [ 0.0000107800000000, -0.0000075900000000, -0.0002704900000000 ] - [ 0.0000061000000000, -0.0000067600000000, -0.0005679500000000 ] - [ -0.0001687000000000, -0.0000017000000000, -0.0004435900000000 ] - [ -0.0001092400000000, -0.0000076500000000, -0.0004605200000000 ] - [ 0.0000127000000000, -0.0000071000000000, -0.0002143100000000 ] - [ -0.0000170000000000, 0.0000094100000000, -0.0000376400000000 ] - [ -0.0000183400000000, 0.0000092200000000, -0.0007791000000000 ] - [ 0.0000126100000000, -0.0000065800000000, -0.0004151100000000 ] - [ 0.0000128000000000, -0.0000077600000000, -0.0003336800000000 ] - [ 0.0000048400000000, -0.0000078700000000, -0.0005305000000000 ] - [ -0.0001680800000000, -0.0000001500000000, -0.0007815900000000 ] - [ -0.0000163100000000, 0.0000084900000000, -0.0001535900000000 ] - [ 0.0000146400000000, -0.0000065600000000, -0.0001479300000000 ] - [ 0.0000133500000000, -0.0000074800000000, -0.0002854600000000 ] - [ 0.0000121300000000, -0.0000074300000000, 0.0000855900000000 ] - [ 0.0000111900000000, -0.0000085800000000, -0.0000397900000000 ] - [ 0.0000145500000000, -0.0000083500000000, -0.0000651600000000 ] - [ 0.0000121700000000, -0.0000074400000000, -0.0006562800000000 ] - [ -0.0615256600000000, 0.0009964400000000, 0.0001824000000000 ] - [ 0.0000120900000000, -0.0000061500000000, -0.0002771600000000 ] - [ -0.0001091800000000, -0.0000080400000000, -0.0007820700000000 ] - [ 0.0000126100000000, -0.0000082600000000, -0.0002433800000000 ] - [ 0.0000123200000000, -0.0000084500000000, -0.0000728100000000 ] - [ -0.0000083800000000, 0.0000041200000000, 0.0005635800000000 ] - [ -0.0000084300000000, 0.0000043200000000, 0.0002251100000000 ] - [ -0.0000080700000000, 0.0000060300000000, 0.0002838200000000 ] - [ -0.0000072500000000, 0.0000047800000000, 0.0000079500000000 ] - [ -0.0008735800000000, 0.0000034600000000, 0.0000460700000000 ] - [ -0.0000081000000000, 0.0000050000000000, 0.0006105100000000 ] - [ 0.0000070700000000, -0.0000014900000000, -0.0001689400000000 ] - [ -0.0000091100000000, 0.0000053000000000, 0.0005576200000000 ] - [ -0.0000674700000000, 0.0000045900000000, 0.0000320700000000 ] - [ 0.0018290900000000, 0.0000125900000000, -0.0002097900000000 ] - [ -0.0000088000000000, 0.0000047500000000, 0.0006225800000000 ] - [ -0.0000080400000000, 0.0000041400000000, 0.0005393200000000 ] - [ -0.0000087600000000, 0.0000045800000000, 0.0002617800000000 ] - [ -0.0000087700000000, 0.0000049200000000, 0.0006420200000000 ] - [ 0.0000340400000000, 0.0000048800000000, 0.0001380800000000 ] - [ -0.0000093900000000, 0.0000019500000000, 0.0004005500000000 ] - [ -0.0000080800000000, 0.0000042600000000, 0.0005460300000000 ] - [ 0.0000034200000000, -0.0000018400000000, 0.0003170600000000 ] - [ -0.0000087200000000, 0.0000041400000000, 0.0002614200000000 ] - [ 0.0000031200000000, -0.0000013900000000, 0.0004254300000000 ] - [ 0.0000023900000000, -0.0000018700000000, -0.0000086500000000 ] - [ -0.0000088300000000, 0.0000061800000000, 0.0001605000000000 ] - [ 0.0000036300000000, -0.0000008800000000, 0.0005426700000000 ] - [ -0.0000096600000000, 0.0000042400000000, 0.0002814700000000 ] - [ -0.0000079800000000, 0.0000050300000000, 0.0008192600000000 ] - [ -0.0000146600000000, 0.0000060700000000, 0.0003159000000000 ] - [ 0.0607086200000000, -0.0009925600000000, -0.0004339000000000 ] - [ 0.0004583000000000, 0.0000041600000000, -0.0000174900000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013466900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006082300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009475200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007657000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004939500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023384200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007735400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003059500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006879100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005881200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009204100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007323200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012628900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009694300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0968103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006889100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010677300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004926600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006709000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012448200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002546300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005569200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012727300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0567036700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003878800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005151900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007845000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003947200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009176800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011651600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009817900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006617300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007048400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0334234400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010604800000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010197500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012940400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011840200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013488600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032863000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016591900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018434500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012933600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035786500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012321300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008489500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012105500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011430900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016220000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0926029100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019659800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016259000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012990600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014428400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015557900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008456500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016616200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011664300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0543908000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017297200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015465500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015701600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014320900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012719100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011750800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014131800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010446400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000142400000000, -0.0000077700000000, 0.0000506900000000 ] - [ 0.0000437100000000, 0.0000102700000000, 0.0002687600000000 ] - [ 0.0000143200000000, -0.0000078700000000, -0.0004428400000000 ] - [ -0.0000166300000000, 0.0000110200000000, -0.0002412500000000 ] - [ 0.0000139400000000, -0.0000072500000000, -0.0000978000000000 ] - [ 0.0000139700000000, -0.0000074900000000, -0.0002860200000000 ] - [ 0.0000145900000000, -0.0000077400000000, -0.0005851200000000 ] - [ 0.0000135300000000, -0.0000071200000000, -0.0004591000000000 ] - [ 0.0000153500000000, -0.0000081900000000, -0.0004680100000000 ] - [ 0.0000120200000000, -0.0000073200000000, -0.0002390600000000 ] - [ -0.0000199900000000, 0.0000096700000000, 0.0000154500000000 ] - [ -0.0000171400000000, 0.0000094200000000, -0.0007490600000000 ] - [ -0.0001091700000000, -0.0000076900000000, -0.0003060600000000 ] - [ 0.0000136600000000, -0.0000073800000000, -0.0003686400000000 ] - [ 0.0000134900000000, -0.0000077400000000, -0.0005340700000000 ] - [ 0.0000140200000000, -0.0000069600000000, -0.0007872800000000 ] - [ -0.0000168200000000, 0.0000097700000000, -0.0001571300000000 ] - [ -0.0001622100000000, -0.0000033000000000, -0.0001811600000000 ] - [ 0.0000132700000000, -0.0000080400000000, -0.0003054900000000 ] - [ 0.0000131300000000, -0.0000073400000000, 0.0001766500000000 ] - [ -0.0001541900000000, 0.0000006400000000, -0.0000959100000000 ] - [ 0.0000149800000000, -0.0000083200000000, -0.0000794500000000 ] - [ 0.0000078200000000, -0.0000080200000000, -0.0005923700000000 ] - [ 0.0000147900000000, -0.0000084200000000, -0.0006183000000000 ] - [ -0.0616765000000000, 0.0009969500000000, 0.0002969800000000 ] - [ 0.0000153100000000, -0.0000080200000000, -0.0007796600000000 ] - [ 0.0000149400000000, -0.0000079200000000, -0.0002137800000000 ] - [ 0.0000135000000000, -0.0000085100000000, -0.0000185100000000 ] - [ -0.0000068500000000, 0.0000045600000000, 0.0005843900000000 ] - [ -0.0000067400000000, 0.0000047400000000, 0.0002718300000000 ] - [ -0.0008745900000000, 0.0000044300000000, 0.0003494600000000 ] - [ -0.0000661400000000, 0.0000047300000000, -0.0001703500000000 ] - [ -0.0000066900000000, 0.0000045900000000, 0.0000549000000000 ] - [ -0.0000057800000000, 0.0000052400000000, 0.0005326900000000 ] - [ 0.0000049600000000, -0.0000018500000000, -0.0001693000000000 ] - [ 0.0608295500000000, -0.0009937200000000, 0.0000156800000000 ] - [ -0.0000064500000000, 0.0000046100000000, 0.0000214300000000 ] - [ -0.0000071100000000, 0.0000047800000000, -0.0000344200000000 ] - [ -0.0000072200000000, 0.0000048300000000, 0.0006445700000000 ] - [ -0.0000062300000000, 0.0000042600000000, 0.0005482600000000 ] - [ -0.0000065800000000, 0.0000046700000000, 0.0002332100000000 ] - [ -0.0000070500000000, 0.0000050700000000, 0.0006521400000000 ] - [ -0.0000064700000000, 0.0000056000000000, 0.0001517900000000 ] - [ 0.0017593600000000, 0.0000127900000000, 0.0003884000000000 ] - [ -0.0000062400000000, 0.0000047500000000, 0.0005103000000000 ] - [ 0.0000043500000000, -0.0000018700000000, 0.0003160900000000 ] - [ -0.0000067500000000, 0.0000048800000000, 0.0001647900000000 ] - [ 0.0003260900000000, -0.0000022700000000, 0.0005062400000000 ] - [ 0.0000039700000000, -0.0000021000000000, -0.0000576800000000 ] - [ -0.0000133600000000, 0.0000052800000000, 0.0000839400000000 ] - [ 0.0000156000000000, -0.0000018500000000, 0.0004454500000000 ] - [ -0.0000071500000000, 0.0000051800000000, 0.0003677700000000 ] - [ -0.0000069300000000, 0.0000050600000000, 0.0008428700000000 ] - [ -0.0000070700000000, 0.0000050600000000, 0.0003188500000000 ] - [ -0.0000070600000000, 0.0000047100000000, 0.0002471600000000 ] - [ -0.0000073900000000, 0.0000045100000000, -0.0000229200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010978200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015103000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008449500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009429300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007712800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004591600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005922900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006135300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011165900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003292700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009407800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006914800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002543500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025835600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026760000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005413000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004150800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0966886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008581300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010979900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004555100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012394900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005171700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337379900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010221300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010824100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003896600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008130900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009369000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0574375000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005365000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009043200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011467100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001952500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007214700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008402800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010865200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011724100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013321300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016560900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015217200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013064600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010392800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018154800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014311200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014179900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015917800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018571300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016551600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016933700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0923220100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018299700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016706200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013500200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011247800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009013200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0320915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011149900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010373200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013088700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017408900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0540681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013964000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012666100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011932200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015748100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013969700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012809800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010410400000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000143500000000, -0.0000078400000000, 0.0000464400000000 ] - [ -0.0000176000000000, 0.0000098700000000, 0.0002737900000000 ] - [ 0.0000069900000000, -0.0000078400000000, -0.0004545300000000 ] - [ -0.0000175000000000, 0.0000106700000000, -0.0002370900000000 ] - [ 0.0000142100000000, -0.0000072500000000, -0.0001128000000000 ] - [ -0.0001086400000000, -0.0000079200000000, -0.0002971100000000 ] - [ -0.0001667200000000, -0.0000022500000000, -0.0005929900000000 ] - [ -0.0001668800000000, 0.0000006600000000, -0.0004577000000000 ] - [ 0.0000138200000000, -0.0000077900000000, -0.0004617500000000 ] - [ 0.0000147900000000, -0.0000072600000000, -0.0002439300000000 ] - [ -0.0000147500000000, 0.0000094600000000, 0.0000104500000000 ] - [ -0.0000171800000000, 0.0000091500000000, -0.0007548900000000 ] - [ 0.0000129600000000, -0.0000072400000000, -0.0002910500000000 ] - [ 0.0000125600000000, -0.0000074000000000, -0.0003667900000000 ] - [ 0.0000132200000000, -0.0000076400000000, -0.0005376400000000 ] - [ 0.0000059600000000, -0.0000070200000000, -0.0007946300000000 ] - [ -0.0000153300000000, 0.0000093400000000, -0.0001623700000000 ] - [ 0.0000149400000000, -0.0000080400000000, -0.0001881900000000 ] - [ 0.0000147800000000, -0.0000078100000000, -0.0003081100000000 ] - [ 0.0000137300000000, -0.0000073500000000, 0.0001844400000000 ] - [ 0.0000139100000000, -0.0000075400000000, -0.0001215200000000 ] - [ 0.0000147900000000, -0.0000083400000000, -0.0000804200000000 ] - [ 0.0000149000000000, -0.0000077300000000, -0.0005838300000000 ] - [ -0.0001072000000000, -0.0000085600000000, -0.0006269600000000 ] - [ 0.0000149000000000, -0.0000073100000000, -0.0003683300000000 ] - [ -0.0615977500000000, 0.0009980900000000, 0.0000110300000000 ] - [ 0.0000142700000000, -0.0000080000000000, -0.0002234100000000 ] - [ 0.0000144400000000, -0.0000083400000000, -0.0000148500000000 ] - [ -0.0000064200000000, 0.0000044700000000, 0.0005919300000000 ] - [ -0.0000657900000000, 0.0000044500000000, 0.0002446200000000 ] - [ -0.0000071700000000, 0.0000051800000000, 0.0003542900000000 ] - [ -0.0000069500000000, 0.0000051400000000, -0.0001229200000000 ] - [ 0.0018325700000000, 0.0000131500000000, -0.0000759300000000 ] - [ -0.0000072600000000, 0.0000042300000000, 0.0005577400000000 ] - [ 0.0000050200000000, -0.0000017100000000, -0.0001722300000000 ] - [ -0.0000072000000000, 0.0000045100000000, 0.0005801300000000 ] - [ 0.0606958600000000, -0.0009915500000000, -0.0005720300000000 ] - [ 0.0000359400000000, 0.0000042300000000, -0.0000314400000000 ] - [ -0.0000071500000000, 0.0000046400000000, 0.0006334700000000 ] - [ -0.0000066500000000, 0.0000042500000000, 0.0005385500000000 ] - [ -0.0000125900000000, 0.0000044600000000, 0.0002506800000000 ] - [ -0.0000065600000000, 0.0000050000000000, 0.0006564100000000 ] - [ -0.0000058000000000, 0.0000041300000000, 0.0001423600000000 ] - [ -0.0000066000000000, 0.0000044700000000, 0.0004747600000000 ] - [ -0.0000061400000000, 0.0000044200000000, 0.0005316600000000 ] - [ 0.0000047400000000, -0.0000012700000000, 0.0003376400000000 ] - [ -0.0000065100000000, 0.0000045700000000, 0.0002111600000000 ] - [ 0.0000041900000000, -0.0000019800000000, 0.0004836200000000 ] - [ 0.0000043100000000, -0.0000019000000000, -0.0000981000000000 ] - [ -0.0000066500000000, 0.0000047800000000, 0.0001102700000000 ] - [ 0.0000048500000000, -0.0000011300000000, 0.0004461000000000 ] - [ -0.0000082300000000, 0.0000043400000000, 0.0003321600000000 ] - [ -0.0000070600000000, 0.0000049200000000, 0.0008653100000000 ] - [ -0.0008735500000000, 0.0000047800000000, 0.0003225100000000 ] - [ 0.0004593000000000, 0.0000040300000000, 0.0001984700000000 ] - [ -0.0000024500000000, 0.0000046300000000, -0.0000364400000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010808600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006192900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008568300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008999900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006151100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008024600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010950000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003256000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008191700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005187100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002712200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008803000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008453000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012689400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008961800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005377200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006745300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0968776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008564200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010966300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004462000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008430900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007140600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0568445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012502300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004551200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003879000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005118600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008287000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005952700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005490300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011265800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006666600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005266600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008223200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011184500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010273800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012882300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011864800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014741800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034297600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032503800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015158600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013187200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010395600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019019600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008654900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012286300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016364500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018384300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014358600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0926343200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010556100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016488000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013799500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014091700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009239200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0543155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015916000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013032700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017295800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012002200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015474000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015828000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013896400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012518900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015466000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011634900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015029900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001144100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012428300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010288100000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000124000000000, -0.0000077000000000, 0.0000297400000000 ] - [ -0.0000185800000000, 0.0000101300000000, 0.0002710900000000 ] - [ -0.0001095900000000, -0.0000078700000000, -0.0004601300000000 ] - [ -0.0000181000000000, 0.0000107400000000, -0.0002074400000000 ] - [ 0.0000052600000000, -0.0000071300000000, -0.0001202600000000 ] - [ 0.0000048500000000, -0.0000074700000000, -0.0002809800000000 ] - [ 0.0000115900000000, -0.0000075700000000, -0.0006060400000000 ] - [ 0.0000124700000000, -0.0000070300000000, -0.0004713800000000 ] - [ 0.0000133000000000, -0.0000076500000000, -0.0004471200000000 ] - [ -0.0001702500000000, -0.0000020700000000, -0.0002563800000000 ] - [ -0.0000164700000000, 0.0000093900000000, 0.0000353200000000 ] - [ -0.0000181900000000, 0.0000092600000000, -0.0007459500000000 ] - [ 0.0000118700000000, -0.0000074100000000, -0.0002481400000000 ] - [ -0.0001699800000000, 0.0000002400000000, -0.0003562100000000 ] - [ 0.0000117200000000, -0.0000077800000000, -0.0005412700000000 ] - [ 0.0000117600000000, -0.0000073700000000, -0.0008121200000000 ] - [ -0.0000167600000000, 0.0000092300000000, -0.0001775800000000 ] - [ 0.0000129400000000, -0.0000082400000000, -0.0002100000000000 ] - [ 0.0000113700000000, -0.0000080300000000, -0.0003144400000000 ] - [ 0.0000132300000000, -0.0000072700000000, 0.0002045500000000 ] - [ 0.0000112900000000, -0.0000074300000000, -0.0001684000000000 ] - [ -0.0001089500000000, -0.0000085200000000, -0.0000817100000000 ] - [ 0.0000132000000000, -0.0000080600000000, -0.0005566100000000 ] - [ 0.0000129500000000, -0.0000083200000000, -0.0006437600000000 ] - [ 0.0000125400000000, -0.0000071800000000, -0.0003750100000000 ] - [ 0.0000122000000000, -0.0000081000000000, -0.0007846900000000 ] - [ -0.0614870700000000, 0.0009964700000000, 0.0005170000000000 ] - [ 0.0000122100000000, -0.0000084000000000, 0.0000200500000000 ] - [ -0.0008741700000000, 0.0000036200000000, 0.0005989000000000 ] - [ 0.0000338600000000, 0.0000045200000000, 0.0002680700000000 ] - [ -0.0000085500000000, 0.0000050600000000, 0.0003502800000000 ] - [ -0.0000086600000000, 0.0000048700000000, -0.0001231600000000 ] - [ -0.0000082100000000, 0.0000046200000000, 0.0000558800000000 ] - [ -0.0000083800000000, 0.0000046100000000, 0.0005497500000000 ] - [ 0.0000035200000000, -0.0000020400000000, -0.0001838600000000 ] - [ -0.0000086900000000, 0.0000047500000000, 0.0005971500000000 ] - [ -0.0000079000000000, 0.0000047100000000, 0.0000321300000000 ] - [ -0.0000084000000000, 0.0000046000000000, -0.0000231200000000 ] - [ -0.0000091700000000, 0.0000046100000000, 0.0006561000000000 ] - [ -0.0000144600000000, 0.0000045400000000, 0.0005392100000000 ] - [ 0.0004580800000000, 0.0000040100000000, 0.0002403500000000 ] - [ -0.0000677200000000, 0.0000048900000000, 0.0006710200000000 ] - [ -0.0000084200000000, 0.0000048900000000, 0.0001325500000000 ] - [ -0.0000084400000000, 0.0000047900000000, 0.0004858900000000 ] - [ 0.0606683800000000, -0.0009911400000000, -0.0000821500000000 ] - [ 0.0000031500000000, -0.0000014200000000, 0.0003172800000000 ] - [ -0.0000080200000000, 0.0000046400000000, 0.0001781700000000 ] - [ 0.0000029200000000, -0.0000019400000000, 0.0004722400000000 ] - [ 0.0000033100000000, -0.0000020100000000, -0.0000871200000000 ] - [ -0.0000085000000000, 0.0000048300000000, 0.0000893600000000 ] - [ 0.0000026300000000, -0.0000015000000000, 0.0004472000000000 ] - [ 0.0018386600000000, 0.0000133600000000, 0.0002490900000000 ] - [ -0.0000085300000000, 0.0000049200000000, 0.0008493100000000 ] - [ -0.0000050100000000, 0.0000051400000000, 0.0003309900000000 ] - [ -0.0000083000000000, 0.0000046800000000, 0.0002131600000000 ] - [ -0.0000081900000000, 0.0000045500000000, -0.0000367900000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010932500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013528500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007318700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008570400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009634400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004604500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006145300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025413900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003321600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024755400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008864300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008500400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008907400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004152500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002783400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0964658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007969400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005148000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010181000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010663400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005153900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007668300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009161300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005668500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0337430700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008858000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011629000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009848700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006431200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0570427700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001851900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007156700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010798800000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010290100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016443800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012818400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015377300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015103300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030703300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010230900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012984800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012323700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012686300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012687800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014432600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018517700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0929498700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010622000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013710100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008482100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015599400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008801200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010269800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015836500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012664500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012343400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015749600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0322301800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014256000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012488100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015771400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009228500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011430100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014656100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0538891300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010619800000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001086900000000, -0.0000077500000000, 0.0000452500000000 ] - [ 0.0000424200000000, 0.0000107100000000, 0.0002709200000000 ] - [ 0.0000135500000000, -0.0000078300000000, -0.0004457800000000 ] - [ -0.0000174500000000, 0.0000110300000000, -0.0002298300000000 ] - [ 0.0000118400000000, -0.0000073700000000, -0.0001109000000000 ] - [ 0.0000123900000000, -0.0000075200000000, -0.0003000400000000 ] - [ 0.0000135900000000, -0.0000076700000000, -0.0005841300000000 ] - [ 0.0000128100000000, -0.0000071700000000, -0.0004648500000000 ] - [ 0.0000138600000000, -0.0000082200000000, -0.0004597300000000 ] - [ 0.0000134400000000, -0.0000072700000000, -0.0002374300000000 ] - [ -0.0009226300000000, 0.0000114100000000, 0.0000278600000000 ] - [ -0.0000183700000000, 0.0000092900000000, -0.0007456200000000 ] - [ 0.0000120300000000, -0.0000073900000000, -0.0002632200000000 ] - [ 0.0000128700000000, -0.0000074300000000, -0.0003728100000000 ] - [ 0.0000130300000000, -0.0000076800000000, -0.0005301500000000 ] - [ 0.0000122300000000, -0.0000069800000000, -0.0007935800000000 ] - [ -0.0000160800000000, 0.0000096900000000, -0.0001619900000000 ] - [ 0.0000130800000000, -0.0000084300000000, -0.0001933200000000 ] - [ 0.0000058500000000, -0.0000078100000000, -0.0003108300000000 ] - [ -0.0001685600000000, 0.0000005800000000, 0.0002139100000000 ] - [ 0.0000127900000000, -0.0000071100000000, -0.0001274100000000 ] - [ 0.0000134100000000, -0.0000083000000000, -0.0000766900000000 ] - [ 0.0000138200000000, -0.0000080900000000, -0.0005700700000000 ] - [ 0.0000145500000000, -0.0000084700000000, -0.0006252200000000 ] - [ 0.0000119600000000, -0.0000075000000000, -0.0003755400000000 ] - [ 0.0000138500000000, -0.0000079200000000, -0.0007796600000000 ] - [ 0.0000134500000000, -0.0000080000000000, -0.0002238900000000 ] - [ -0.0612888700000000, 0.0009951200000000, 0.0006403200000000 ] - [ -0.0000073500000000, 0.0000043600000000, 0.0006101600000000 ] - [ -0.0000077600000000, 0.0000043000000000, 0.0002360100000000 ] - [ -0.0000085800000000, 0.0000047000000000, 0.0003745800000000 ] - [ -0.0000078900000000, 0.0000049500000000, -0.0002074200000000 ] - [ -0.0000077600000000, 0.0000046000000000, 0.0000523300000000 ] - [ 0.0017984600000000, 0.0000133600000000, 0.0003679500000000 ] - [ 0.0000037400000000, -0.0000017700000000, -0.0001757000000000 ] - [ -0.0000083300000000, 0.0000046500000000, 0.0006124600000000 ] - [ -0.0000072600000000, 0.0000046400000000, 0.0000350000000000 ] - [ -0.0000079500000000, 0.0000047200000000, -0.0000151800000000 ] - [ 0.0000346900000000, 0.0000043800000000, 0.0006386400000000 ] - [ -0.0000033600000000, 0.0000042700000000, 0.0005668500000000 ] - [ -0.0000073500000000, 0.0000043800000000, 0.0002685300000000 ] - [ -0.0000073900000000, 0.0000048300000000, 0.0006516600000000 ] - [ -0.0000074800000000, 0.0000049000000000, 0.0001487300000000 ] - [ -0.0000072600000000, 0.0000046700000000, 0.0005168600000000 ] - [ -0.0000068800000000, 0.0000044900000000, 0.0005229600000000 ] - [ 0.0000033000000000, -0.0000013900000000, 0.0003392200000000 ] - [ 0.0599098800000000, -0.0009933500000000, -0.0004217500000000 ] - [ -0.0000024700000000, -0.0000013500000000, 0.0005119300000000 ] - [ 0.0000029200000000, -0.0000020200000000, -0.0001111700000000 ] - [ -0.0000073800000000, 0.0000050800000000, 0.0001038800000000 ] - [ 0.0001753100000000, 0.0000032200000000, 0.0004352100000000 ] - [ -0.0000085000000000, 0.0000047100000000, 0.0003204800000000 ] - [ 0.0004601000000000, 0.0000043200000000, 0.0008838900000000 ] - [ -0.0000080400000000, 0.0000051700000000, 0.0003275800000000 ] - [ -0.0000081300000000, 0.0000046200000000, 0.0002182700000000 ] - [ -0.0000074100000000, 0.0000046100000000, -0.0000275400000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0012444300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015276400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006323900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008708700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009739500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007972400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004831700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006381200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008469600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025868400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008481600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005455700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002802400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009126700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007930400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030737400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005475500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004385800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008843700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0971421100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008139100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006678600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012160000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010102500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0574998800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012715200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004489600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010377300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004249400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005288100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007183600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0332829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006133100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012031700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009904100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011378400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007117200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007145300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010635400000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0011774100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009887400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015394500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012050500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013611000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016855100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015511400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013409200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013292100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014449100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012916600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014178000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025935900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012649400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011627300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016532600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014657500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018590500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0937366500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013405600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014235500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009481900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011263700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0539985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009019200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016768000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011046400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010482900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017561300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013123600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017490400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015681000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014008400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0324694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015982200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011781200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002873400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014552700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010325500000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000158700000000, -0.0000071500000000, 0.0000488100000000 ] - [ -0.0000188700000000, 0.0000104200000000, 0.0002709700000000 ] - [ 0.0000061800000000, -0.0000075400000000, -0.0004461700000000 ] - [ -0.0000181600000000, 0.0000115400000000, -0.0002397900000000 ] - [ 0.0004781900000000, -0.0000091500000000, -0.0001040500000000 ] - [ 0.0000111900000000, -0.0000070400000000, -0.0003025600000000 ] - [ 0.0000120400000000, -0.0000070300000000, -0.0005789600000000 ] - [ 0.0000114800000000, -0.0000066700000000, -0.0004654500000000 ] - [ 0.0000128700000000, -0.0000077400000000, -0.0004642900000000 ] - [ 0.0607152300000000, 0.0010218900000000, 0.0003668000000000 ] - [ -0.0000168400000000, 0.0000101400000000, 0.0000208900000000 ] - [ -0.0000191300000000, 0.0000099000000000, -0.0007493600000000 ] - [ 0.0000110100000000, -0.0000067900000000, -0.0002878600000000 ] - [ -0.0000481300000000, -0.0000072200000000, -0.0003769200000000 ] - [ 0.0000121200000000, -0.0000071500000000, -0.0005311400000000 ] - [ 0.0000113800000000, -0.0000064300000000, -0.0007916200000000 ] - [ -0.0000173500000000, 0.0000102000000000, -0.0001582000000000 ] - [ 0.0000121300000000, -0.0000077600000000, -0.0001916200000000 ] - [ 0.0000542700000000, -0.0000075100000000, -0.0003094900000000 ] - [ 0.0000120100000000, -0.0000066800000000, 0.0001861400000000 ] - [ 0.0000119700000000, -0.0000066700000000, -0.0001157900000000 ] - [ 0.0018555800000000, 0.0000123500000000, 0.0000083900000000 ] - [ 0.0000129500000000, -0.0000074500000000, -0.0005768000000000 ] - [ 0.0000132300000000, -0.0000081000000000, -0.0006237200000000 ] - [ 0.0000119600000000, -0.0000068500000000, -0.0003676100000000 ] - [ 0.0000124500000000, -0.0000073700000000, -0.0007804600000000 ] - [ -0.0008533600000000, -0.0000080700000000, -0.0002255100000000 ] - [ 0.0000124900000000, -0.0000078800000000, -0.0000012000000000 ] - [ -0.0707647700000000, -0.0010550900000000, -0.0001122500000000 ] - [ -0.0000058500000000, 0.0000049500000000, 0.0002306000000000 ] - [ -0.0000093200000000, 0.0000054400000000, 0.0003688500000000 ] - [ -0.0000086000000000, 0.0000055000000000, -0.0002019300000000 ] - [ -0.0000081300000000, 0.0000050900000000, 0.0000520600000000 ] - [ -0.0000083800000000, 0.0000051200000000, 0.0004892300000000 ] - [ 0.0000029600000000, -0.0000013400000000, -0.0001754200000000 ] - [ -0.0000089600000000, 0.0000052900000000, 0.0006131200000000 ] - [ -0.0000083300000000, 0.0000051000000000, 0.0000358000000000 ] - [ -0.0000085100000000, 0.0000051900000000, -0.0000215000000000 ] - [ 0.0000185600000000, 0.0000050000000000, 0.0006350700000000 ] - [ 0.0003178600000000, 0.0000043700000000, 0.0005729700000000 ] - [ 0.0000186800000000, 0.0000049800000000, 0.0002657500000000 ] - [ 0.0039484800000000, -0.0000028100000000, 0.0006471200000000 ] - [ -0.0000080200000000, 0.0000054000000000, 0.0001505900000000 ] - [ -0.0000081700000000, 0.0000049700000000, 0.0005159900000000 ] - [ 0.0039484000000000, 0.0000265600000000, 0.0005483000000000 ] - [ 0.0000026100000000, -0.0000009600000000, 0.0003396500000000 ] - [ -0.0000084700000000, 0.0000052300000000, 0.0001937000000000 ] - [ 0.0000024300000000, -0.0000010100000000, 0.0004959100000000 ] - [ 0.0000023700000000, -0.0000015200000000, -0.0001108300000000 ] - [ -0.0000085700000000, 0.0000056800000000, 0.0001085600000000 ] - [ 0.0000030800000000, -0.0000010100000000, 0.0004393700000000 ] - [ 0.0003163000000000, 0.0000064300000000, 0.0003091300000000 ] - [ -0.0000059700000000, 0.0000053200000000, 0.0008806200000000 ] - [ -0.0000089500000000, 0.0000058200000000, 0.0003268500000000 ] - [ -0.0000089700000000, 0.0000050200000000, 0.0002133600000000 ] - [ -0.0000084900000000, 0.0000051100000000, -0.0000241200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015219800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012695500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011527800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013413500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016652000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015274900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015092000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324953900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010200100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018699800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012396400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012740200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013966300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008523000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012330600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016213800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016998200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014357500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000189500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1078865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014267400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011131200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015743500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008830300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016637600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017187400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012052800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015645000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111747700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012560200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015526000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011566000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014941200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013949200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012685700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010306200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011129200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013237500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006232100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009164900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011128800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002885700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007523300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002801700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008486000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007550000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009435900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0568659400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005056600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002676200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010769800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1120357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008609500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013111900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010657500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003782600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005791500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007913500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100153800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008363600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005554700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099538000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006806600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004909700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012507200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010096000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007603300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008234700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010743300000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000126100000000, -0.0000073200000000, 0.0000491900000000 ] - [ -0.0000190200000000, 0.0000103200000000, 0.0002676800000000 ] - [ 0.0018569800000000, 0.0000127100000000, -0.0003640900000000 ] - [ -0.0000188600000000, 0.0000113800000000, -0.0002350200000000 ] - [ 0.0000118100000000, -0.0000068500000000, -0.0000978900000000 ] - [ 0.0607033600000000, 0.0010213200000000, 0.0003103500000000 ] - [ -0.0008539900000000, -0.0000075100000000, -0.0005826100000000 ] - [ 0.0000054400000000, -0.0000066300000000, -0.0004635900000000 ] - [ 0.0000125000000000, -0.0000073900000000, -0.0004593900000000 ] - [ 0.0000145700000000, -0.0000067600000000, -0.0002354800000000 ] - [ -0.0000172000000000, 0.0000100100000000, 0.0000158200000000 ] - [ -0.0000189500000000, 0.0000098300000000, -0.0007552900000000 ] - [ 0.0000110400000000, -0.0000066300000000, -0.0003065800000000 ] - [ 0.0004777000000000, -0.0000093000000000, -0.0003632400000000 ] - [ 0.0000115200000000, -0.0000073000000000, -0.0005364100000000 ] - [ 0.0000106500000000, -0.0000067700000000, -0.0007914300000000 ] - [ -0.0000178000000000, 0.0000098100000000, -0.0001575200000000 ] - [ 0.0000129500000000, -0.0000073200000000, -0.0001839100000000 ] - [ 0.0000121300000000, -0.0000072900000000, -0.0003005800000000 ] - [ 0.0000115300000000, -0.0000069100000000, 0.0001653300000000 ] - [ 0.0000113600000000, -0.0000070600000000, -0.0001146300000000 ] - [ 0.0000134100000000, -0.0000078300000000, -0.0000752800000000 ] - [ 0.0000128200000000, -0.0000073900000000, -0.0005902300000000 ] - [ 0.0000123800000000, -0.0000080400000000, -0.0006201000000000 ] - [ 0.0000118600000000, -0.0000066500000000, -0.0003429300000000 ] - [ -0.0000473100000000, -0.0000077500000000, -0.0007838800000000 ] - [ 0.0000548400000000, -0.0000076100000000, -0.0002268900000000 ] - [ 0.0000121900000000, -0.0000078700000000, -0.0000213300000000 ] - [ -0.0000060400000000, 0.0000050900000000, 0.0005957100000000 ] - [ -0.0707426900000000, -0.0010549600000000, -0.0004674400000000 ] - [ -0.0000091400000000, 0.0000058400000000, 0.0003384100000000 ] - [ -0.0000088600000000, 0.0000054700000000, -0.0001141200000000 ] - [ 0.0000185900000000, 0.0000051800000000, 0.0000507500000000 ] - [ -0.0000086700000000, 0.0000052600000000, 0.0005561700000000 ] - [ 0.0000027900000000, -0.0000013100000000, -0.0001770900000000 ] - [ -0.0000091700000000, 0.0000053700000000, 0.0005917000000000 ] - [ 0.0003172700000000, 0.0000062400000000, 0.0000322000000000 ] - [ -0.0000085700000000, 0.0000050700000000, -0.0000418200000000 ] - [ -0.0000087700000000, 0.0000052700000000, 0.0006328700000000 ] - [ -0.0000082600000000, 0.0000047500000000, 0.0005577400000000 ] - [ 0.0039470200000000, -0.0000033700000000, 0.0002538900000000 ] - [ -0.0000088000000000, 0.0000055900000000, 0.0006495700000000 ] - [ -0.0000082800000000, 0.0000056000000000, 0.0001429400000000 ] - [ -0.0000087900000000, 0.0000045300000000, 0.0004708300000000 ] - [ 0.0000185300000000, 0.0000049200000000, 0.0005273700000000 ] - [ 0.0000024500000000, -0.0000011400000000, 0.0003213500000000 ] - [ -0.0000091000000000, 0.0000050900000000, 0.0002141700000000 ] - [ 0.0000024400000000, -0.0000009500000000, 0.0004713800000000 ] - [ 0.0000019300000000, -0.0000015000000000, -0.0000794700000000 ] - [ -0.0000089200000000, 0.0000058500000000, 0.0001134900000000 ] - [ 0.0000028200000000, -0.0000009900000000, 0.0004668400000000 ] - [ 0.0003159400000000, 0.0000048700000000, 0.0003201900000000 ] - [ -0.0000087700000000, 0.0000053300000000, 0.0008517900000000 ] - [ 0.0039480600000000, 0.0000275500000000, 0.0003441800000000 ] - [ -0.0000065100000000, 0.0000050200000000, 0.0002042600000000 ] - [ -0.0000090000000000, 0.0000051300000000, -0.0000279300000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010139300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008093100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0538260700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012797900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324859400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015345100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013201300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018252300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013047600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014028800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015810100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018508200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012564600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013884500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011342400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016560700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017143000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019088900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010959400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016356700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1081891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014669000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008034700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015376100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008679700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016871300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011546100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010326700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015935600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106821400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012264800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015931200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014517700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012403300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009037300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011538900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014472200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010816600000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010915800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013461700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0571783000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008503600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0335081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008012100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005948700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008131800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010921800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008044800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005233000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002521600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008857600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008505700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007417000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012600100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008982900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009807600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004114600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003253300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008813100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004599600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007166200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010106500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004863900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012625700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010859000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005133300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003911300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009485900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011246500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009700300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006005800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007467500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011081800000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000123500000000, -0.0000071800000000, 0.0000289400000000 ] - [ -0.0000185200000000, 0.0000106600000000, 0.0002727500000000 ] - [ 0.0000121700000000, -0.0000072800000000, -0.0004584100000000 ] - [ -0.0000174200000000, 0.0000112400000000, -0.0002046300000000 ] - [ 0.0000114100000000, -0.0000066900000000, -0.0001203900000000 ] - [ 0.0000119100000000, -0.0000071300000000, -0.0002808700000000 ] - [ 0.0000117700000000, -0.0000070600000000, -0.0006080900000000 ] - [ 0.0000113600000000, -0.0000065800000000, -0.0004715600000000 ] - [ 0.0000127000000000, -0.0000071500000000, -0.0004442800000000 ] - [ 0.0000109100000000, -0.0000067700000000, -0.0002543500000000 ] - [ -0.0000177800000000, 0.0000099100000000, 0.0000335500000000 ] - [ -0.0000188400000000, 0.0000097300000000, -0.0007460800000000 ] - [ 0.0018316800000000, 0.0000133000000000, -0.0001583400000000 ] - [ 0.0000115200000000, -0.0000069900000000, -0.0003664500000000 ] - [ 0.0000115500000000, -0.0000072600000000, -0.0005423900000000 ] - [ 0.0000110200000000, -0.0000068500000000, -0.0008136200000000 ] - [ 0.0000398000000000, 0.0000096200000000, -0.0001801100000000 ] - [ 0.0608134500000000, 0.0010226800000000, 0.0003907500000000 ] - [ 0.0000118500000000, -0.0000075200000000, -0.0003159800000000 ] - [ 0.0000113800000000, -0.0000068100000000, 0.0002055700000000 ] - [ -0.0000477700000000, -0.0000072400000000, -0.0001721600000000 ] - [ 0.0000126100000000, -0.0000076800000000, -0.0000823400000000 ] - [ 0.0004806000000000, -0.0000098000000000, -0.0005544100000000 ] - [ 0.0000129400000000, -0.0000078000000000, -0.0006435600000000 ] - [ -0.0008556100000000, -0.0000072700000000, -0.0003741000000000 ] - [ 0.0000122800000000, -0.0000075900000000, -0.0007841900000000 ] - [ 0.0000126400000000, -0.0000074400000000, -0.0001972700000000 ] - [ 0.0000120000000000, -0.0000079100000000, 0.0000233700000000 ] - [ -0.0000087600000000, 0.0000051800000000, 0.0005981400000000 ] - [ -0.0000087800000000, 0.0000051700000000, 0.0002669700000000 ] - [ -0.0708474300000000, -0.0010565400000000, -0.0003592100000000 ] - [ 0.0039563000000000, -0.0000030000000000, -0.0001271600000000 ] - [ -0.0000087400000000, 0.0000052200000000, 0.0000561000000000 ] - [ -0.0000090000000000, 0.0000050600000000, 0.0005423600000000 ] - [ 0.0000031000000000, -0.0000015400000000, -0.0001833900000000 ] - [ 0.0039583200000000, 0.0000268000000000, 0.0006243300000000 ] - [ -0.0000087800000000, 0.0000052000000000, 0.0000317800000000 ] - [ -0.0000088900000000, 0.0000052100000000, -0.0000241100000000 ] - [ -0.0000088100000000, 0.0000052100000000, 0.0006590300000000 ] - [ -0.0000088100000000, 0.0000052000000000, 0.0005416100000000 ] - [ -0.0000086800000000, 0.0000051500000000, 0.0002401600000000 ] - [ -0.0000090800000000, 0.0000054400000000, 0.0006737100000000 ] - [ -0.0000087800000000, 0.0000054400000000, 0.0001310300000000 ] - [ 0.0003164600000000, 0.0000065100000000, 0.0004853300000000 ] - [ -0.0000086100000000, 0.0000050900000000, 0.0005168200000000 ] - [ 0.0000116700000000, -0.0000008900000000, 0.0003165000000000 ] - [ -0.0000086800000000, 0.0000052800000000, 0.0001751800000000 ] - [ 0.0000248900000000, -0.0000013500000000, 0.0004679800000000 ] - [ 0.0000042000000000, -0.0000015200000000, -0.0000872200000000 ] - [ 0.0003247000000000, 0.0000047700000000, 0.0000888400000000 ] - [ 0.0000037200000000, -0.0000010700000000, 0.0004471700000000 ] - [ -0.0000092900000000, 0.0000053700000000, 0.0003792400000000 ] - [ -0.0000091500000000, 0.0000055100000000, 0.0008505200000000 ] - [ -0.0000093200000000, 0.0000054900000000, 0.0003322900000000 ] - [ -0.0000090100000000, 0.0000053600000000, 0.0002144700000000 ] - [ -0.0000087200000000, 0.0000050800000000, -0.0000398200000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010039700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008108900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015155800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011757200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013459400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015187700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013017400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010459100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018295000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014333000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012555800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013886600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008705900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012656000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011357200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016964300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012616800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016280600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1082506100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011064300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015792200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112918700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010314700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017213100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015747300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017341100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012070900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012661700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009630600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012305900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014938800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019300300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012653200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010258600000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010884700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004668000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005902200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006111300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011153000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003223100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0571940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006827400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005323100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009187700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333916600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009663700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005001200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003999300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002574100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010935900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008612500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1119361500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109221300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010003200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005454100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012763700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010516200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010685900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005321300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008811100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006234800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004926000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006657100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005572400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010748400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006829700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007348400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001319600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006666400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008596900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010521600000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000125600000000, -0.0000072400000000, 0.0000439800000000 ] - [ -0.0000190900000000, 0.0000103700000000, 0.0002655300000000 ] - [ 0.0000121900000000, -0.0000074100000000, -0.0004504600000000 ] - [ -0.0000084300000000, 0.0000113100000000, -0.0002341300000000 ] - [ 0.0000114900000000, -0.0000068500000000, -0.0001059600000000 ] - [ 0.0000113100000000, -0.0000070900000000, -0.0002976800000000 ] - [ 0.0000121700000000, -0.0000070300000000, -0.0005870600000000 ] - [ 0.0000113200000000, -0.0000066100000000, -0.0004663000000000 ] - [ 0.0000124900000000, -0.0000075000000000, -0.0004610200000000 ] - [ 0.0000112700000000, -0.0000067900000000, -0.0002409500000000 ] - [ -0.0000174200000000, 0.0000100500000000, 0.0000267600000000 ] - [ -0.0000174500000000, 0.0000098400000000, -0.0007511600000000 ] - [ 0.0608158000000000, 0.0010237500000000, 0.0003254700000000 ] - [ 0.0000113800000000, -0.0000069200000000, -0.0003730100000000 ] - [ 0.0000116900000000, -0.0000072500000000, -0.0005344400000000 ] - [ 0.0000112500000000, -0.0000066000000000, -0.0007954700000000 ] - [ 0.0006212600000000, 0.0000080000000000, -0.0001616600000000 ] - [ -0.0008536500000000, -0.0000081800000000, -0.0001921000000000 ] - [ 0.0000115900000000, -0.0000074000000000, -0.0003065100000000 ] - [ 0.0000113300000000, -0.0000068100000000, 0.0001881300000000 ] - [ 0.0000054800000000, -0.0000068700000000, -0.0001280700000000 ] - [ 0.0000128200000000, -0.0000078200000000, -0.0000802300000000 ] - [ 0.0018127500000000, 0.0000126300000000, -0.0004858800000000 ] - [ 0.0000129800000000, -0.0000080100000000, -0.0006284000000000 ] - [ -0.0000480200000000, -0.0000071100000000, -0.0003655600000000 ] - [ 0.0000124800000000, -0.0000074100000000, -0.0007831500000000 ] - [ 0.0000127300000000, -0.0000074600000000, -0.0002211900000000 ] - [ 0.0000120400000000, -0.0000078600000000, -0.0000049200000000 ] - [ -0.0000086600000000, 0.0000050800000000, 0.0005958000000000 ] - [ -0.0000088500000000, 0.0000049400000000, 0.0002379700000000 ] - [ 0.0039561600000000, 0.0000271700000000, 0.0003777600000000 ] - [ -0.0708622500000000, -0.0010564200000000, -0.0008637700000000 ] - [ -0.0000085100000000, 0.0000050600000000, 0.0000523100000000 ] - [ -0.0000089500000000, 0.0000050900000000, 0.0005337100000000 ] - [ 0.0000040500000000, -0.0000013000000000, -0.0001795900000000 ] - [ 0.0003169700000000, 0.0000062300000000, 0.0005999400000000 ] - [ -0.0000086900000000, 0.0000052600000000, 0.0000343200000000 ] - [ -0.0000087700000000, 0.0000051500000000, -0.0000275500000000 ] - [ -0.0000091000000000, 0.0000052100000000, 0.0006355000000000 ] - [ -0.0000085000000000, 0.0000048600000000, 0.0005620000000000 ] - [ -0.0000086500000000, 0.0000048900000000, 0.0002634100000000 ] - [ -0.0000090800000000, 0.0000055600000000, 0.0006519500000000 ] - [ -0.0000085600000000, 0.0000053800000000, 0.0001434000000000 ] - [ 0.0000184400000000, 0.0000048900000000, 0.0004974200000000 ] - [ -0.0000086000000000, 0.0000049900000000, 0.0005290100000000 ] - [ 0.0000994500000000, -0.0000018600000000, 0.0003276900000000 ] - [ -0.0000089900000000, 0.0000051800000000, 0.0001990600000000 ] - [ 0.0000046700000000, -0.0000010500000000, 0.0004880500000000 ] - [ 0.0000194100000000, -0.0000015800000000, -0.0000940300000000 ] - [ 0.0040938400000000, -0.0000021600000000, 0.0001006000000000 ] - [ 0.0000029600000000, -0.0000009700000000, 0.0004438500000000 ] - [ -0.0000096000000000, 0.0000051600000000, 0.0003201800000000 ] - [ -0.0000089500000000, 0.0000054200000000, 0.0008652500000000 ] - [ -0.0000094900000000, 0.0000058900000000, 0.0003266400000000 ] - [ -0.0000093500000000, 0.0000050200000000, 0.0002121400000000 ] - [ -0.0000087600000000, 0.0000051800000000, -0.0000275500000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007995200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015019200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012806100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011821400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013473600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014890600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013092900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018279000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324455000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016025200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000337400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008555500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0540177300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016953100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014937300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012442700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010549800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012797800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110403500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1089149300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011240300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015534800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008866100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010226100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017089900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015712200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013373900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017539000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011964200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015429700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012858700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015581800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009103300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106776400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015031300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019305000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014154400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012572500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010305800000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010818900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013412300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007695100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006082400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007994500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010926400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334077000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006866500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005137300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008807400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004196900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007371600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012609300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0575969400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007334400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008524800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010904300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004596700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116499300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012563100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005167700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010241700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010793900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005839500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005293200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007858000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008909700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005941900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106899400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006223200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006797100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007125100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010865600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000127100000000, -0.0000072400000000, 0.0000448800000000 ] - [ -0.0000194900000000, 0.0000103700000000, 0.0002670900000000 ] - [ 0.0000152900000000, -0.0000074300000000, -0.0004530000000000 ] - [ -0.0000185700000000, 0.0000114100000000, -0.0002303700000000 ] - [ 0.0000119700000000, -0.0000068100000000, -0.0001040200000000 ] - [ 0.0000539100000000, -0.0000071900000000, -0.0002937900000000 ] - [ 0.0004789200000000, -0.0000092700000000, -0.0005875400000000 ] - [ 0.0607483300000000, 0.0010226000000000, 0.0001369300000000 ] - [ 0.0000070000000000, -0.0000074300000000, -0.0004576300000000 ] - [ 0.0000115800000000, -0.0000067500000000, -0.0002404500000000 ] - [ -0.0000170700000000, 0.0000100400000000, 0.0000225300000000 ] - [ -0.0000189400000000, 0.0000098200000000, -0.0007542400000000 ] - [ 0.0000112200000000, -0.0000067300000000, -0.0002854300000000 ] - [ 0.0000118600000000, -0.0000069400000000, -0.0003686800000000 ] - [ 0.0000112800000000, -0.0000072500000000, -0.0005359700000000 ] - [ -0.0000483300000000, -0.0000069800000000, -0.0007966700000000 ] - [ -0.0000175500000000, 0.0000099200000000, -0.0001600000000000 ] - [ 0.0000126600000000, -0.0000075300000000, -0.0001896100000000 ] - [ 0.0000122400000000, -0.0000073500000000, -0.0003040400000000 ] - [ 0.0000115100000000, -0.0000068100000000, 0.0001823900000000 ] - [ 0.0000115900000000, -0.0000069300000000, -0.0001286500000000 ] - [ 0.0000131800000000, -0.0000078200000000, -0.0000773800000000 ] - [ 0.0000125600000000, -0.0000074200000000, -0.0005808300000000 ] - [ -0.0008533000000000, -0.0000085800000000, -0.0006271300000000 ] - [ 0.0000124000000000, -0.0000067500000000, -0.0003568700000000 ] - [ 0.0018512400000000, 0.0000127500000000, -0.0006932700000000 ] - [ 0.0000128000000000, -0.0000074400000000, -0.0002217900000000 ] - [ 0.0000124700000000, -0.0000078200000000, -0.0000088500000000 ] - [ -0.0000084400000000, 0.0000051200000000, 0.0005976700000000 ] - [ 0.0000186800000000, 0.0000048400000000, 0.0002453000000000 ] - [ -0.0000091300000000, 0.0000056700000000, 0.0003469800000000 ] - [ -0.0000085500000000, 0.0000054600000000, -0.0001282900000000 ] - [ -0.0707947000000000, -0.0010556100000000, -0.0006546900000000 ] - [ -0.0000086400000000, 0.0000052800000000, 0.0005500200000000 ] - [ 0.0000032700000000, -0.0000013400000000, -0.0001786800000000 ] - [ -0.0000088800000000, 0.0000053300000000, 0.0005945600000000 ] - [ 0.0039494300000000, -0.0000031100000000, 0.0000293600000000 ] - [ 0.0003175000000000, 0.0000061600000000, -0.0000360500000000 ] - [ -0.0000087700000000, 0.0000051500000000, 0.0006364800000000 ] - [ -0.0000081900000000, 0.0000047600000000, 0.0005546900000000 ] - [ -0.0000059500000000, 0.0000049700000000, 0.0002552700000000 ] - [ -0.0000088100000000, 0.0000055600000000, 0.0006550700000000 ] - [ -0.0000055700000000, 0.0000055100000000, 0.0001418700000000 ] - [ -0.0000085400000000, 0.0000046700000000, 0.0004801800000000 ] - [ -0.0000083100000000, 0.0000049700000000, 0.0005266500000000 ] - [ 0.0000026600000000, -0.0000010100000000, 0.0003226000000000 ] - [ -0.0000087600000000, 0.0000051500000000, 0.0002042900000000 ] - [ 0.0000024800000000, -0.0000010400000000, 0.0004754400000000 ] - [ 0.0000021900000000, -0.0000015700000000, -0.0000862900000000 ] - [ -0.0000086300000000, 0.0000057400000000, 0.0001068900000000 ] - [ 0.0000030400000000, -0.0000010300000000, 0.0004564500000000 ] - [ -0.0000093100000000, 0.0000052500000000, 0.0003306900000000 ] - [ -0.0000085700000000, 0.0000053200000000, 0.0008536400000000 ] - [ 0.0003168300000000, 0.0000054800000000, 0.0003236300000000 ] - [ 0.0039497200000000, 0.0000265900000000, 0.0002271900000000 ] - [ 0.0000185300000000, 0.0000052800000000, -0.0000285100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010106600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008182800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012962500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011725600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016285300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0322859900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015266400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013081000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010183800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013027300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015898200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019137400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013983600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008373400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011882200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011399300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004439100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0535504800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012484600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010746700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016115800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014471800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008582000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1084870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008547500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010707400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017233300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015542700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013265200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012569700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015716100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014523800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012650700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016162600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008849200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011676400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014323900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014002600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019940000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108602400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010810800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010851000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013478300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006042300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009335400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007994000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0336726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006196700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003270500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008121900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005153200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012635500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009738400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005191100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008432200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006846000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0575774500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010975200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004594700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007913300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1115635000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004572700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011405300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005165100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003809700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007525200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006057600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011411200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006206400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002074200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007921600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102992700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010958300000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008533400000000, -0.0000077600000000, 0.0000464300000000 ] - [ -0.0000086100000000, 0.0000102700000000, 0.0002659000000000 ] - [ 0.0000117600000000, -0.0000074100000000, -0.0004480500000000 ] - [ -0.0000185200000000, 0.0000114400000000, -0.0002347400000000 ] - [ 0.0000057200000000, -0.0000068700000000, -0.0001040800000000 ] - [ 0.0000113600000000, -0.0000070800000000, -0.0002981000000000 ] - [ 0.0000120300000000, -0.0000069800000000, -0.0005836600000000 ] - [ 0.0000111500000000, -0.0000066100000000, -0.0004661900000000 ] - [ 0.0000125700000000, -0.0000075000000000, -0.0004595500000000 ] - [ 0.0000107700000000, -0.0000068100000000, -0.0002364000000000 ] - [ 0.0006212200000000, 0.0000081300000000, 0.0000235100000000 ] - [ -0.0000191300000000, 0.0000098400000000, -0.0007524600000000 ] - [ 0.0000108400000000, -0.0000067500000000, -0.0002830700000000 ] - [ 0.0000112200000000, -0.0000069200000000, -0.0003727800000000 ] - [ 0.0000113200000000, -0.0000072200000000, -0.0005347400000000 ] - [ 0.0000110200000000, -0.0000066100000000, -0.0007924800000000 ] - [ -0.0000175500000000, 0.0000099700000000, -0.0001587200000000 ] - [ 0.0000123900000000, -0.0000076200000000, -0.0001917300000000 ] - [ -0.0000480000000000, -0.0000077400000000, -0.0003065400000000 ] - [ 0.0607750200000000, 0.0010230500000000, 0.0007884200000000 ] - [ 0.0000141900000000, -0.0000068700000000, -0.0001255200000000 ] - [ 0.0000123700000000, -0.0000078200000000, -0.0000798800000000 ] - [ 0.0000121400000000, -0.0000074600000000, -0.0005776600000000 ] - [ 0.0000131100000000, -0.0000080800000000, -0.0006259500000000 ] - [ 0.0000119700000000, -0.0000067700000000, -0.0003613400000000 ] - [ 0.0000126400000000, -0.0000073800000000, -0.0007809600000000 ] - [ 0.0000124300000000, -0.0000074900000000, -0.0002232500000000 ] - [ 0.0018181000000000, 0.0000121700000000, 0.0000834900000000 ] - [ -0.0000085200000000, 0.0000050900000000, 0.0006007400000000 ] - [ -0.0000087400000000, 0.0000048800000000, 0.0002309600000000 ] - [ -0.0000095600000000, 0.0000055000000000, 0.0003552900000000 ] - [ -0.0000089700000000, 0.0000055100000000, -0.0001619900000000 ] - [ -0.0000086800000000, 0.0000051100000000, 0.0000502100000000 ] - [ -0.0708203900000000, -0.0010561200000000, -0.0001899500000000 ] - [ 0.0000026400000000, -0.0000013500000000, -0.0001766600000000 ] - [ -0.0000091700000000, 0.0000053500000000, 0.0006042800000000 ] - [ -0.0000087100000000, 0.0000051100000000, 0.0000376200000000 ] - [ -0.0000089200000000, 0.0000050300000000, -0.0000279400000000 ] - [ 0.0003169600000000, 0.0000061300000000, 0.0006330300000000 ] - [ 0.0000188800000000, 0.0000048700000000, 0.0005680300000000 ] - [ -0.0000088200000000, 0.0000049700000000, 0.0002666100000000 ] - [ -0.0000063700000000, 0.0000055700000000, 0.0006485900000000 ] - [ -0.0000082400000000, 0.0000054600000000, 0.0001450500000000 ] - [ -0.0000082400000000, 0.0000048200000000, 0.0004961600000000 ] - [ -0.0000083600000000, 0.0000049900000000, 0.0005263900000000 ] - [ 0.0000024000000000, -0.0000010200000000, 0.0003309800000000 ] - [ 0.0040916000000000, -0.0000026200000000, 0.0001988900000000 ] - [ 0.0000194600000000, -0.0000010300000000, 0.0004847600000000 ] - [ 0.0000020100000000, -0.0000015400000000, -0.0000982800000000 ] - [ -0.0000087900000000, 0.0000057200000000, 0.0001086700000000 ] - [ 0.0001000900000000, -0.0000019900000000, 0.0004474100000000 ] - [ -0.0000096300000000, 0.0000053900000000, 0.0003119900000000 ] - [ 0.0039536700000000, 0.0000269000000000, 0.0008903500000000 ] - [ -0.0000093900000000, 0.0000058900000000, 0.0003272200000000 ] - [ -0.0000092900000000, 0.0000050300000000, 0.0002079300000000 ] - [ -0.0000090700000000, 0.0000051900000000, -0.0000262300000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008167100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015128800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012663700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011806500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016618000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018176400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012981200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014186600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018687700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012322000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012659900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014230800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0329176200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012327500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011384000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016995100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014327200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018377000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012547300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0545552900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014025600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011094000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1081831700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008836600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010888700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010294600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012925300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017292300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015457200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015708700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107358200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015327200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009638500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011644700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015529400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0115209100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013839600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012641800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010130300000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001708800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013482900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006028200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008403000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009464900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007655300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004532600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005870500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008050700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011092100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003104400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005174700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002533600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008847000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008439200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007887000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329797800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009690600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004065100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008582900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0569823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004868600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008099900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012127700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010050300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1122173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012662300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004527300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010707000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004552700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007909000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007081100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105715500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009866900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006985900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007044800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096231200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007085800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008369500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010657700000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000127800000000, -0.0000072900000000, 0.0000477300000000 ] - [ -0.0000188300000000, 0.0000103300000000, 0.0002740800000000 ] - [ 0.0000121600000000, -0.0000074500000000, -0.0004500800000000 ] - [ -0.0008891000000000, 0.0000113700000000, -0.0002407000000000 ] - [ 0.0000118900000000, -0.0000068600000000, -0.0001052000000000 ] - [ 0.0000116700000000, -0.0000070900000000, -0.0002959400000000 ] - [ 0.0000125700000000, -0.0000070200000000, -0.0005847200000000 ] - [ 0.0000118100000000, -0.0000066500000000, -0.0004647500000000 ] - [ 0.0003352200000000, -0.0000106600000000, -0.0004605200000000 ] - [ 0.0000112300000000, -0.0000068000000000, -0.0002379300000000 ] - [ -0.0000172100000000, 0.0000099800000000, 0.0000139300000000 ] - [ 0.0599244400000000, -0.0010258300000000, -0.0001504900000000 ] - [ 0.0000107600000000, -0.0000067600000000, -0.0002972600000000 ] - [ 0.0000117000000000, -0.0000069500000000, -0.0003682600000000 ] - [ 0.0026359600000000, -0.0000209300000000, -0.0004433900000000 ] - [ 0.0000479500000000, -0.0000067200000000, -0.0007892600000000 ] - [ -0.0000787600000000, 0.0000101300000000, -0.0001592000000000 ] - [ 0.0000123600000000, -0.0000075800000000, -0.0001875300000000 ] - [ 0.0000121700000000, -0.0000074200000000, -0.0003063400000000 ] - [ 0.0000115300000000, -0.0000067400000000, 0.0001794000000000 ] - [ 0.0000116000000000, -0.0000069400000000, -0.0001191200000000 ] - [ 0.0000134300000000, -0.0000078100000000, -0.0000787300000000 ] - [ 0.0000134000000000, -0.0000073400000000, -0.0005805000000000 ] - [ 0.0000161300000000, -0.0000081600000000, -0.0006233400000000 ] - [ 0.0000118600000000, -0.0000068400000000, -0.0003621900000000 ] - [ 0.0000125600000000, -0.0000073700000000, -0.0007826900000000 ] - [ 0.0000128400000000, -0.0000074800000000, -0.0002223900000000 ] - [ 0.0000121500000000, -0.0000078700000000, -0.0000084200000000 ] - [ -0.0000085400000000, 0.0000051700000000, 0.0005981200000000 ] - [ -0.0000085300000000, 0.0000048300000000, 0.0002347400000000 ] - [ -0.0000091700000000, 0.0000055000000000, 0.0003723100000000 ] - [ -0.0000073800000000, 0.0000057000000000, -0.0001805800000000 ] - [ -0.0000082400000000, 0.0000050800000000, 0.0000538700000000 ] - [ -0.0000087300000000, 0.0000047300000000, 0.0005196300000000 ] - [ -0.0694744100000000, 0.0010901400000000, -0.0009005300000000 ] - [ -0.0000091100000000, 0.0000052700000000, 0.0006016500000000 ] - [ -0.0000084600000000, 0.0000048600000000, 0.0000355000000000 ] - [ 0.0000137500000000, 0.0000048100000000, -0.0000212300000000 ] - [ -0.0000085700000000, 0.0000049600000000, 0.0006334600000000 ] - [ -0.0000081600000000, 0.0000048300000000, 0.0005657300000000 ] - [ -0.0000083700000000, 0.0000050500000000, 0.0002637600000000 ] - [ -0.0000087200000000, 0.0000055700000000, 0.0006506200000000 ] - [ 0.0026986700000000, -0.0000122900000000, 0.0001584000000000 ] - [ -0.0000081100000000, 0.0000051200000000, 0.0005104500000000 ] - [ -0.0000081600000000, 0.0000050000000000, 0.0005262100000000 ] - [ 0.0003341400000000, -0.0000016900000000, 0.0003402900000000 ] - [ -0.0000085700000000, 0.0000053200000000, 0.0001980400000000 ] - [ 0.0000025100000000, -0.0000011700000000, 0.0004984800000000 ] - [ 0.0041069200000000, -0.0000205800000000, -0.0000885500000000 ] - [ 0.0000143900000000, 0.0000054100000000, 0.0001002500000000 ] - [ 0.0000026000000000, -0.0000008800000000, 0.0004278200000000 ] - [ -0.0000092600000000, 0.0000053800000000, 0.0003160000000000 ] - [ -0.0000089400000000, 0.0000053200000000, 0.0008770800000000 ] - [ -0.0000090000000000, 0.0000059300000000, 0.0003272800000000 ] - [ -0.0000067000000000, 0.0000052900000000, 0.0002163300000000 ] - [ 0.0002759400000000, 0.0000040900000000, -0.0000312900000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010288900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008336500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015085200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011883800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013683800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015300000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015313800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013156400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010186400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0318741800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013168400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014656400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0534599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018798800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012956600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012885700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014081600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012103000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011511600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016458200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017330500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018585100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012581100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010747100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013055400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015802800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1086136500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016788100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011052500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010404200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017373900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017377600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108990400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015759100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016530700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015297800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012929500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015957300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106028800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011793000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019893100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014362700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012779100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011277300000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013604700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007926800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004669900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006043800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006091200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011154300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0338196700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008336900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0569553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009529500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008659500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009101900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005365100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004358600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007005900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004755100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008147100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011883800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010172900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1111192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010417500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004073800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005350800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008276300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003934200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005445500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009145400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006087600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106813700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006455700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011876300000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000122900000000, -0.0000072100000000, 0.0000426300000000 ] - [ -0.0000267700000000, 0.0000105200000000, 0.0002670600000000 ] - [ 0.0000120600000000, -0.0000074300000000, -0.0004496100000000 ] - [ -0.0000186100000000, 0.0000115300000000, -0.0002317700000000 ] - [ 0.0000116600000000, -0.0000068500000000, -0.0001097600000000 ] - [ 0.0000115700000000, -0.0000070300000000, -0.0002988600000000 ] - [ 0.0000124000000000, -0.0000071100000000, -0.0005888700000000 ] - [ 0.0000113100000000, -0.0000066500000000, -0.0004680000000000 ] - [ 0.0000127900000000, -0.0000076300000000, -0.0004605100000000 ] - [ 0.0000108800000000, -0.0000068700000000, -0.0002434400000000 ] - [ -0.0000221800000000, 0.0000101500000000, 0.0000290600000000 ] - [ -0.0000193100000000, 0.0000098700000000, -0.0007490900000000 ] - [ 0.0004785800000000, -0.0000091500000000, -0.0002656500000000 ] - [ 0.0000114800000000, -0.0000068800000000, -0.0003759000000000 ] - [ 0.0000116900000000, -0.0000072800000000, -0.0005340800000000 ] - [ 0.0000112800000000, -0.0000065200000000, -0.0007956300000000 ] - [ -0.0000127000000000, 0.0000101100000000, -0.0001615100000000 ] - [ 0.0018338200000000, 0.0000123600000000, -0.0001064700000000 ] - [ 0.0000116600000000, -0.0000075000000000, -0.0003116800000000 ] - [ 0.0000113700000000, -0.0000067800000000, 0.0001998300000000 ] - [ -0.0008530100000000, -0.0000072800000000, -0.0001330100000000 ] - [ 0.0000126300000000, -0.0000078600000000, -0.0000820400000000 ] - [ 0.0000549200000000, -0.0000075900000000, -0.0005689000000000 ] - [ 0.0000131400000000, -0.0000080200000000, -0.0006322000000000 ] - [ 0.0608455800000000, 0.0010240900000000, 0.0002282400000000 ] - [ 0.0000121800000000, -0.0000074100000000, -0.0007818500000000 ] - [ 0.0000125500000000, -0.0000074500000000, -0.0002187400000000 ] - [ 0.0000122100000000, -0.0000078700000000, 0.0000064500000000 ] - [ -0.0000087500000000, 0.0000051600000000, 0.0005983500000000 ] - [ -0.0000089100000000, 0.0000049600000000, 0.0002372100000000 ] - [ 0.0039575000000000, -0.0000028900000000, 0.0003668300000000 ] - [ 0.0003172600000000, 0.0000051600000000, -0.0001908500000000 ] - [ -0.0000088000000000, 0.0000051200000000, 0.0000522800000000 ] - [ -0.0000088500000000, 0.0000051400000000, 0.0005103100000000 ] - [ 0.0000028200000000, -0.0000013300000000, -0.0001819300000000 ] - [ -0.0708751700000000, -0.0010570700000000, -0.0001034800000000 ] - [ -0.0000087400000000, 0.0000050700000000, 0.0000357600000000 ] - [ -0.0000087300000000, 0.0000051300000000, -0.0000183700000000 ] - [ -0.0000088100000000, 0.0000050900000000, 0.0006363100000000 ] - [ -0.0000084400000000, 0.0000048100000000, 0.0005686000000000 ] - [ -0.0000087600000000, 0.0000050400000000, 0.0002643400000000 ] - [ -0.0000090900000000, 0.0000055300000000, 0.0006540500000000 ] - [ -0.0000083700000000, 0.0000055100000000, 0.0001460800000000 ] - [ 0.0039483300000000, 0.0000265700000000, 0.0005325700000000 ] - [ -0.0000085100000000, 0.0000051500000000, 0.0005266000000000 ] - [ 0.0000034500000000, -0.0000011200000000, 0.0003361700000000 ] - [ -0.0000072800000000, 0.0000051500000000, 0.0001859600000000 ] - [ 0.0002868800000000, -0.0000002900000000, 0.0004965900000000 ] - [ 0.0000022100000000, -0.0000017000000000, -0.0001051900000000 ] - [ 0.0000192800000000, 0.0000056300000000, 0.0000956300000000 ] - [ 0.0000200000000000, -0.0000012000000000, 0.0004311200000000 ] - [ -0.0000095200000000, 0.0000055300000000, 0.0003230400000000 ] - [ -0.0000090300000000, 0.0000054600000000, 0.0008783300000000 ] - [ -0.0000093000000000, 0.0000057500000000, 0.0003286600000000 ] - [ -0.0000092600000000, 0.0000051700000000, 0.0002167800000000 ] - [ -0.0000088800000000, 0.0000052100000000, -0.0000274300000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015138900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012721000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013399200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016588400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015048500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013091600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010381700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014252000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016023600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018663400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012450600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542397300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000442300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011372600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016566100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016496800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013098700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108495400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009868800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011102000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008885600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1080275000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010827500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017152100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013088700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011978800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111768800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015874700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013927800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016230400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009637100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011712800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015020200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014005500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012667300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010162700000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010956300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008522000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009360000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005870800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006176000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010945300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007694800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006903400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005184800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008948900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0571129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007401800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012634400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0335237800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008578700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004691900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008014900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010024100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005233100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1121757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010284500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004015500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008078100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009298300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100496900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007379900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008948900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006651400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011526900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009825700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006244400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006901600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001894300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010890400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000127300000000, -0.0000071700000000, 0.0000397700000000 ] - [ -0.0000189600000000, 0.0000103000000000, 0.0002602600000000 ] - [ 0.0000545300000000, -0.0000075200000000, -0.0004503700000000 ] - [ -0.0000184900000000, 0.0000115200000000, -0.0002333200000000 ] - [ 0.0000118200000000, -0.0000068600000000, -0.0001118300000000 ] - [ 0.0004781800000000, -0.0000092800000000, -0.0002988000000000 ] - [ 0.0018556500000000, 0.0000129700000000, -0.0004992400000000 ] - [ -0.0008548200000000, -0.0000072700000000, -0.0004659000000000 ] - [ 0.0000123500000000, -0.0000076600000000, -0.0004622900000000 ] - [ 0.0000111400000000, -0.0000068300000000, -0.0002455200000000 ] - [ -0.0000167900000000, 0.0000101800000000, 0.0000361400000000 ] - [ -0.0000193400000000, 0.0000098800000000, -0.0007494300000000 ] - [ 0.0000111900000000, -0.0000068700000000, -0.0002511000000000 ] - [ 0.0000149200000000, -0.0000068900000000, -0.0003750800000000 ] - [ 0.0000112600000000, -0.0000072600000000, -0.0005320300000000 ] - [ 0.0000055800000000, -0.0000065200000000, -0.0007955000000000 ] - [ -0.0000175800000000, 0.0000100600000000, -0.0001637600000000 ] - [ 0.0000129800000000, -0.0000078300000000, -0.0001946900000000 ] - [ 0.0000120900000000, -0.0000074700000000, -0.0003069600000000 ] - [ 0.0000117700000000, -0.0000068300000000, 0.0002056200000000 ] - [ 0.0000118800000000, -0.0000067600000000, -0.0001348400000000 ] - [ 0.0000131600000000, -0.0000078500000000, -0.0000819100000000 ] - [ 0.0000128400000000, -0.0000073900000000, -0.0005680100000000 ] - [ -0.0000464300000000, -0.0000083900000000, -0.0006311600000000 ] - [ 0.0000120300000000, -0.0000069000000000, -0.0003776300000000 ] - [ 0.0607142700000000, 0.0010212600000000, -0.0001824800000000 ] - [ 0.0000131800000000, -0.0000074300000000, -0.0002172600000000 ] - [ 0.0000122800000000, -0.0000078500000000, 0.0000044600000000 ] - [ -0.0000085500000000, 0.0000051600000000, 0.0005964700000000 ] - [ 0.0003169900000000, 0.0000045700000000, 0.0002332300000000 ] - [ -0.0000094200000000, 0.0000052500000000, 0.0003710200000000 ] - [ -0.0000087200000000, 0.0000053900000000, -0.0001897800000000 ] - [ 0.0039494000000000, 0.0000267300000000, 0.0000675200000000 ] - [ -0.0000086400000000, 0.0000050300000000, 0.0005196100000000 ] - [ 0.0000030300000000, -0.0000012900000000, -0.0001862300000000 ] - [ -0.0000090700000000, 0.0000052000000000, 0.0006047400000000 ] - [ -0.0707620900000000, -0.0010550400000000, -0.0006764800000000 ] - [ 0.0000185100000000, 0.0000053100000000, -0.0000197200000000 ] - [ -0.0000084700000000, 0.0000051400000000, 0.0006379900000000 ] - [ -0.0000083200000000, 0.0000049200000000, 0.0005697600000000 ] - [ 0.0000186200000000, 0.0000049600000000, 0.0002688900000000 ] - [ -0.0000087400000000, 0.0000055300000000, 0.0006519500000000 ] - [ -0.0000080400000000, 0.0000054800000000, 0.0001427100000000 ] - [ -0.0000079900000000, 0.0000051600000000, 0.0005096800000000 ] - [ -0.0000080900000000, 0.0000051600000000, 0.0005241200000000 ] - [ 0.0000027200000000, -0.0000009500000000, 0.0003364800000000 ] - [ -0.0000087900000000, 0.0000052500000000, 0.0001914200000000 ] - [ 0.0000024500000000, -0.0000009900000000, 0.0004946500000000 ] - [ 0.0000023500000000, -0.0000014800000000, -0.0001050900000000 ] - [ -0.0000085500000000, 0.0000055700000000, 0.0000995300000000 ] - [ 0.0000028900000000, -0.0000009500000000, 0.0004305200000000 ] - [ -0.0000065700000000, 0.0000056300000000, 0.0003209500000000 ] - [ -0.0000089400000000, 0.0000053900000000, 0.0008752300000000 ] - [ 0.0039475000000000, -0.0000028100000000, 0.0003282500000000 ] - [ 0.0003169500000000, 0.0000062700000000, 0.0002144600000000 ] - [ -0.0000058300000000, 0.0000051000000000, -0.0000290300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010087000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008154500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011680600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013119200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0537112300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002599800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013069500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010272700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018493300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013048700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018494800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013924000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008384200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011382900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016649600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014386400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0319779300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012591700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010947700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016194600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014352200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009127400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008839200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016379700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1084706900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010111600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012984200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015692600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009568100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011848200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014765500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014332100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019492700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107970100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013097200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010293900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010861100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013461000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006230200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008543100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009380600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007452200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0573550700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006690600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006160500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008039800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003269400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008116600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008811000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008463700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009761800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004676200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006847300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0340003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010945000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008576200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007094400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011650500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005056600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004543200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1114674600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010846400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003965600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005155700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008228100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003825700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005915700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005410100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008931700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006153900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006120000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002064100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011074100000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000127300000000, -0.0000071900000000, 0.0000447800000000 ] - [ -0.0000191000000000, 0.0000104600000000, 0.0002707700000000 ] - [ 0.0000119900000000, -0.0000073600000000, -0.0004479500000000 ] - [ -0.0000190000000000, 0.0000115000000000, -0.0002392900000000 ] - [ 0.0000117400000000, -0.0000067600000000, -0.0001079900000000 ] - [ 0.0000120300000000, -0.0000069600000000, -0.0002988100000000 ] - [ 0.0000156300000000, -0.0000070500000000, -0.0005860600000000 ] - [ 0.0004779700000000, -0.0000088500000000, -0.0004663400000000 ] - [ -0.0008538700000000, -0.0000080900000000, -0.0004607300000000 ] - [ 0.0000113700000000, -0.0000067400000000, -0.0002402100000000 ] - [ -0.0000171800000000, 0.0000101200000000, 0.0000177900000000 ] - [ -0.0000185100000000, 0.0000098700000000, -0.0007518500000000 ] - [ 0.0000111000000000, -0.0000067100000000, -0.0002824100000000 ] - [ 0.0000117400000000, -0.0000068600000000, -0.0003743600000000 ] - [ -0.0000475300000000, -0.0000074600000000, -0.0005340400000000 ] - [ 0.0607490600000000, 0.0010227400000000, -0.0001893400000000 ] - [ -0.0000180800000000, 0.0000101000000000, -0.0001608000000000 ] - [ 0.0000123800000000, -0.0000076500000000, -0.0001913900000000 ] - [ 0.0000117400000000, -0.0000073900000000, -0.0003095400000000 ] - [ 0.0000116200000000, -0.0000066600000000, 0.0001896100000000 ] - [ 0.0000116200000000, -0.0000067500000000, -0.0001241300000000 ] - [ 0.0000132400000000, -0.0000077500000000, -0.0000823000000000 ] - [ 0.0000125400000000, -0.0000074000000000, -0.0005767100000000 ] - [ 0.0018504500000000, 0.0000121300000000, -0.0005369400000000 ] - [ 0.0000119100000000, -0.0000068400000000, -0.0003704900000000 ] - [ 0.0000548200000000, -0.0000074100000000, -0.0007823800000000 ] - [ 0.0000129300000000, -0.0000074100000000, -0.0002187900000000 ] - [ 0.0000124000000000, -0.0000078200000000, -0.0000016100000000 ] - [ -0.0000085100000000, 0.0000051100000000, 0.0005991300000000 ] - [ -0.0000085000000000, 0.0000047200000000, 0.0002266800000000 ] - [ -0.0000094000000000, 0.0000055100000000, 0.0003754400000000 ] - [ -0.0000086200000000, 0.0000055900000000, -0.0001877400000000 ] - [ 0.0003175400000000, 0.0000046100000000, 0.0000508900000000 ] - [ -0.0000086200000000, 0.0000048200000000, 0.0005128700000000 ] - [ 0.0000255200000000, -0.0000012400000000, -0.0001798400000000 ] - [ -0.0000090800000000, 0.0000052300000000, 0.0006052000000000 ] - [ 0.0000185500000000, 0.0000047600000000, 0.0000407800000000 ] - [ -0.0707932700000000, -0.0010557500000000, -0.0007178400000000 ] - [ -0.0000086400000000, 0.0000049700000000, 0.0006329700000000 ] - [ -0.0000081500000000, 0.0000047400000000, 0.0005716000000000 ] - [ -0.0000085400000000, 0.0000050200000000, 0.0002734200000000 ] - [ -0.0000087900000000, 0.0000055900000000, 0.0006500100000000 ] - [ 0.0003163600000000, 0.0000063800000000, 0.0001514400000000 ] - [ -0.0000084600000000, 0.0000049400000000, 0.0005139400000000 ] - [ -0.0000082100000000, 0.0000049900000000, 0.0005297800000000 ] - [ 0.0000025000000000, -0.0000010600000000, 0.0003390700000000 ] - [ -0.0000088500000000, 0.0000052600000000, 0.0001962800000000 ] - [ 0.0000023700000000, -0.0000011600000000, 0.0004988500000000 ] - [ 0.0000035200000000, -0.0000016800000000, -0.0001155000000000 ] - [ -0.0000087200000000, 0.0000055900000000, 0.0000976800000000 ] - [ 0.0000028400000000, -0.0000010600000000, 0.0004246800000000 ] - [ -0.0000094300000000, 0.0000055000000000, 0.0003089400000000 ] - [ -0.0000088400000000, 0.0000052700000000, 0.0008776000000000 ] - [ -0.0000066000000000, 0.0000058600000000, 0.0003301800000000 ] - [ 0.0039492700000000, -0.0000031300000000, 0.0002131300000000 ] - [ 0.0039530100000000, 0.0000268300000000, -0.0000081500000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010261600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008148300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012740300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011756600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013431100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016675900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015014600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002392700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013084700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010116200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018304000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012984100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014323200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016529200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0319379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012357500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008487300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016248600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0536794300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018615600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012553500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010555000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013164100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014082600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011739200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015829400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008756800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016537400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011075800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1085200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013026500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017388700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015517700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015957000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013963900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011705000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015034600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014171100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019315600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013875700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106734600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106394300000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010839200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009359300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004587800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005552300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006452800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010949200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003315500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006922000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005701700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0340129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008801300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008455700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012644500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008890700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005157000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0574246600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006853100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002962700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008556900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010937000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004487600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007767700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007231700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012642100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004516000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010271500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1115120300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005091100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008286500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003891700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010171200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005539700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006198000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011254300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009956500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006131200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006626000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002342900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007428100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105526400000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018491100000000, 0.0000130300000000, 0.0001373400000000 ] - [ -0.0000190300000000, 0.0000104600000000, 0.0002716800000000 ] - [ 0.0000118200000000, -0.0000074600000000, -0.0004478600000000 ] - [ -0.0000184900000000, 0.0000115300000000, -0.0002374000000000 ] - [ -0.0008548200000000, -0.0000074500000000, -0.0001054000000000 ] - [ 0.0000115800000000, -0.0000070700000000, -0.0002995300000000 ] - [ 0.0000122500000000, -0.0000070000000000, -0.0005818100000000 ] - [ 0.0000113000000000, -0.0000066400000000, -0.0004661000000000 ] - [ 0.0000130800000000, -0.0000076400000000, -0.0004622600000000 ] - [ 0.0000054300000000, -0.0000068300000000, -0.0002362500000000 ] - [ -0.0000122700000000, 0.0000100800000000, 0.0000197800000000 ] - [ -0.0000190400000000, 0.0000099000000000, -0.0007492300000000 ] - [ 0.0000113000000000, -0.0000068400000000, -0.0002867700000000 ] - [ 0.0000109700000000, -0.0000069300000000, -0.0003735300000000 ] - [ 0.0000117100000000, -0.0000071700000000, -0.0005326300000000 ] - [ 0.0000112800000000, -0.0000065100000000, -0.0007909300000000 ] - [ -0.0000179000000000, 0.0000101500000000, -0.0001588100000000 ] - [ 0.0000121500000000, -0.0000077900000000, -0.0001922000000000 ] - [ 0.0607344500000000, 0.0010216600000000, 0.0002925000000000 ] - [ 0.0004783600000000, -0.0000090100000000, 0.0001870800000000 ] - [ 0.0000116800000000, -0.0000067000000000, -0.0001183700000000 ] - [ -0.0000467000000000, -0.0000081400000000, -0.0000800100000000 ] - [ 0.0000127900000000, -0.0000074900000000, -0.0005768700000000 ] - [ 0.0000134900000000, -0.0000080600000000, -0.0006247500000000 ] - [ 0.0000118200000000, -0.0000068600000000, -0.0003655400000000 ] - [ 0.0000124600000000, -0.0000073500000000, -0.0007807500000000 ] - [ 0.0000122600000000, -0.0000074700000000, -0.0002256400000000 ] - [ 0.0000547000000000, -0.0000079600000000, -0.0000016500000000 ] - [ 0.0000186600000000, 0.0000051300000000, 0.0005987600000000 ] - [ -0.0000084200000000, 0.0000049300000000, 0.0002352400000000 ] - [ -0.0000092400000000, 0.0000054900000000, 0.0003637200000000 ] - [ -0.0000087900000000, 0.0000055000000000, -0.0001853700000000 ] - [ -0.0000083300000000, 0.0000050800000000, 0.0000515500000000 ] - [ 0.0003170500000000, 0.0000048200000000, 0.0005007400000000 ] - [ 0.0000028300000000, -0.0000012500000000, -0.0001771000000000 ] - [ -0.0000090900000000, 0.0000052500000000, 0.0006107600000000 ] - [ -0.0000083600000000, 0.0000051500000000, 0.0000352800000000 ] - [ -0.0000087200000000, 0.0000051000000000, -0.0000224300000000 ] - [ -0.0707793800000000, -0.0010553700000000, -0.0000780700000000 ] - [ 0.0039517500000000, 0.0000263900000000, 0.0005910900000000 ] - [ -0.0000085100000000, 0.0000048800000000, 0.0002637600000000 ] - [ 0.0003172500000000, 0.0000065600000000, 0.0006502500000000 ] - [ -0.0000081400000000, 0.0000053700000000, 0.0001475800000000 ] - [ -0.0000083000000000, 0.0000049100000000, 0.0005075800000000 ] - [ -0.0000057700000000, 0.0000049700000000, 0.0005265100000000 ] - [ 0.0000025500000000, -0.0000008900000000, 0.0003361200000000 ] - [ 0.0000193400000000, 0.0000050800000000, 0.0001949100000000 ] - [ 0.0000024700000000, -0.0000009300000000, 0.0004915700000000 ] - [ 0.0000022900000000, -0.0000014500000000, -0.0001048900000000 ] - [ -0.0000086200000000, 0.0000055700000000, 0.0001058100000000 ] - [ 0.0000037300000000, -0.0000010000000000, 0.0004416700000000 ] - [ -0.0000093600000000, 0.0000053400000000, 0.0003147100000000 ] - [ 0.0039520700000000, -0.0000030000000000, 0.0008729800000000 ] - [ -0.0000091100000000, 0.0000058200000000, 0.0003252700000000 ] - [ -0.0000089700000000, 0.0000049800000000, 0.0002112300000000 ] - [ -0.0000086100000000, 0.0000051000000000, -0.0000233100000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0543519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008220400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015244200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012660600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000946300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013193400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015253900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013167500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018155500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013085700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014271900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016030700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012359300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012202900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011794100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016231900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016938800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014355100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018259800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010855000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016603000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013331600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1078944300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012967200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018010600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011869100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015412000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015779100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013642600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012639800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015413500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009830400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011720700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0113290200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012653500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010260200000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0567617600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013512000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008416700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003124000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007682900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004557100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005914200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008044300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006945100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008510300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0335302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012345300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009007800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010351400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005150700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006844000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002706500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008625900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004725700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011997500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010061300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012641300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004481300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010263000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1121135300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099750400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008141800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004363500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009229600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005770800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005466800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007339500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008969400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005771800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011691400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009905100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006526700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006827500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098256600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007252600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010861800000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004793700000000, -0.0000095700000000, 0.0000438600000000 ] - [ -0.0000183400000000, 0.0000102800000000, 0.0002646100000000 ] - [ 0.0000116800000000, -0.0000074700000000, -0.0004536100000000 ] - [ -0.0000181600000000, 0.0000114300000000, -0.0002339300000000 ] - [ 0.0607527900000000, 0.0010224900000000, 0.0004978800000000 ] - [ 0.0000115800000000, -0.0000071300000000, -0.0002942500000000 ] - [ 0.0000123300000000, -0.0000070100000000, -0.0005877100000000 ] - [ 0.0000114600000000, -0.0000066100000000, -0.0004641200000000 ] - [ 0.0000127600000000, -0.0000074300000000, -0.0004615300000000 ] - [ -0.0000481900000000, -0.0000071400000000, -0.0002423300000000 ] - [ -0.0000163700000000, 0.0000100200000000, 0.0000213700000000 ] - [ -0.0000188900000000, 0.0000098200000000, -0.0007521900000000 ] - [ 0.0000112600000000, -0.0000067300000000, -0.0002850400000000 ] - [ 0.0000110800000000, -0.0000069200000000, -0.0003676500000000 ] - [ 0.0000119100000000, -0.0000072900000000, -0.0005342400000000 ] - [ 0.0000117500000000, -0.0000066400000000, -0.0007946700000000 ] - [ -0.0000175300000000, 0.0000098200000000, -0.0001613800000000 ] - [ 0.0000131000000000, -0.0000074400000000, -0.0001881200000000 ] - [ 0.0018481300000000, 0.0000128200000000, -0.0002134200000000 ] - [ 0.0000539500000000, -0.0000069900000000, 0.0001806100000000 ] - [ 0.0000114200000000, -0.0000070500000000, -0.0001203400000000 ] - [ -0.0008534800000000, -0.0000084100000000, -0.0000780100000000 ] - [ 0.0000124100000000, -0.0000073600000000, -0.0005829700000000 ] - [ 0.0000130600000000, -0.0000080900000000, -0.0006259200000000 ] - [ 0.0000117200000000, -0.0000067300000000, -0.0003564500000000 ] - [ 0.0000125400000000, -0.0000074000000000, -0.0007840700000000 ] - [ 0.0000069400000000, -0.0000075000000000, -0.0002230500000000 ] - [ 0.0000155700000000, -0.0000078500000000, -0.0000120400000000 ] - [ 0.0003175000000000, 0.0000060700000000, 0.0005946600000000 ] - [ -0.0000082400000000, 0.0000049800000000, 0.0002424400000000 ] - [ -0.0000090800000000, 0.0000058300000000, 0.0003429900000000 ] - [ -0.0000084900000000, 0.0000055500000000, -0.0001200200000000 ] - [ -0.0000081700000000, 0.0000051600000000, 0.0000511600000000 ] - [ 0.0000186500000000, 0.0000052500000000, 0.0005574900000000 ] - [ 0.0000030600000000, -0.0000013600000000, -0.0001804700000000 ] - [ -0.0000089100000000, 0.0000053100000000, 0.0005903200000000 ] - [ -0.0000081800000000, 0.0000053400000000, 0.0000327800000000 ] - [ -0.0000086200000000, 0.0000051100000000, -0.0000381800000000 ] - [ 0.0039507100000000, -0.0000030900000000, 0.0006317700000000 ] - [ -0.0708004700000000, -0.0010561400000000, -0.0001543200000000 ] - [ -0.0000082300000000, 0.0000049100000000, 0.0002604200000000 ] - [ 0.0039503000000000, 0.0000272000000000, 0.0006740200000000 ] - [ -0.0000083000000000, 0.0000055400000000, 0.0001395700000000 ] - [ -0.0000086600000000, 0.0000045200000000, 0.0004749800000000 ] - [ 0.0000187800000000, 0.0000050900000000, 0.0005301800000000 ] - [ 0.0000027200000000, -0.0000009700000000, 0.0003214600000000 ] - [ -0.0000061100000000, 0.0000051200000000, 0.0002084800000000 ] - [ 0.0000027000000000, -0.0000009700000000, 0.0004749500000000 ] - [ 0.0000023700000000, -0.0000015800000000, -0.0000813300000000 ] - [ -0.0000086800000000, 0.0000058500000000, 0.0001093700000000 ] - [ 0.0000034700000000, -0.0000010000000000, 0.0004621400000000 ] - [ -0.0000068400000000, 0.0000052100000000, 0.0003266200000000 ] - [ 0.0003176700000000, 0.0000049500000000, 0.0008524900000000 ] - [ -0.0000090700000000, 0.0000059500000000, 0.0003258000000000 ] - [ -0.0000090300000000, 0.0000049900000000, 0.0002060600000000 ] - [ -0.0000087100000000, 0.0000052400000000, -0.0000270800000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010045100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008060000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013393000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016642300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015286600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015086400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013685200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010241300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012367600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012693500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0540580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001386400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016287900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014370400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012644200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010603800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013262800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014059300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009365300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011127900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008880600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016589100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010331700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111393300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1080270000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012995000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0113388300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011998100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015803600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013849900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012540800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015126700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019716500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012688700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010193500000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013378800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333246600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007645900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005978300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008619100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011067900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003123300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006994200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0571665000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009103600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002748800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005180600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004122100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006684400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008668700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005380600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008319700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006683500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012335000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012700400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010295400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010769200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100160500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1120044300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008184200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008887100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007185200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005518800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011922100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002370400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008303300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010877900000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000127000000000, -0.0000072400000000, 0.0000472000000000 ] - [ -0.0000190900000000, 0.0000103700000000, 0.0002667900000000 ] - [ 0.0606983000000000, 0.0010210000000000, 0.0001531300000000 ] - [ -0.0000188000000000, 0.0000114200000000, -0.0002353900000000 ] - [ 0.0000120600000000, -0.0000068400000000, -0.0001025200000000 ] - [ -0.0008547100000000, -0.0000077000000000, -0.0002969000000000 ] - [ -0.0000473300000000, -0.0000073200000000, -0.0005858200000000 ] - [ 0.0000107200000000, -0.0000065900000000, -0.0004654900000000 ] - [ 0.0000125500000000, -0.0000074600000000, -0.0004597900000000 ] - [ 0.0000534600000000, -0.0000068800000000, -0.0002386800000000 ] - [ -0.0000170800000000, 0.0000100500000000, 0.0000223200000000 ] - [ -0.0000192400000000, 0.0000098400000000, -0.0007533700000000 ] - [ 0.0000112900000000, -0.0000067200000000, -0.0002869700000000 ] - [ 0.0018573300000000, 0.0000132500000000, -0.0002839300000000 ] - [ 0.0000114600000000, -0.0000072400000000, -0.0005356800000000 ] - [ 0.0000109500000000, -0.0000066600000000, -0.0007939000000000 ] - [ -0.0000173400000000, 0.0000099500000000, -0.0001606400000000 ] - [ 0.0000126000000000, -0.0000074900000000, -0.0001890900000000 ] - [ 0.0000118200000000, -0.0000073500000000, -0.0003052200000000 ] - [ 0.0000115300000000, -0.0000068400000000, 0.0001804500000000 ] - [ 0.0000111900000000, -0.0000069400000000, -0.0001247300000000 ] - [ 0.0000162500000000, -0.0000078600000000, -0.0000804600000000 ] - [ 0.0000124400000000, -0.0000073800000000, -0.0005800200000000 ] - [ 0.0000125400000000, -0.0000080300000000, -0.0006258700000000 ] - [ 0.0000118500000000, -0.0000067300000000, -0.0003600700000000 ] - [ 0.0000064800000000, -0.0000074100000000, -0.0007819500000000 ] - [ 0.0004791200000000, -0.0000097600000000, -0.0002219300000000 ] - [ 0.0000120700000000, -0.0000078400000000, -0.0000088900000000 ] - [ 0.0000184500000000, 0.0000050500000000, 0.0005937700000000 ] - [ 0.0039477500000000, 0.0000265400000000, 0.0002597900000000 ] - [ -0.0000093700000000, 0.0000056300000000, 0.0003566600000000 ] - [ -0.0000088900000000, 0.0000054900000000, -0.0001528400000000 ] - [ -0.0000058400000000, 0.0000050800000000, 0.0000531900000000 ] - [ -0.0000089200000000, 0.0000050700000000, 0.0005363400000000 ] - [ 0.0000028400000000, -0.0000012600000000, -0.0001770700000000 ] - [ -0.0000094000000000, 0.0000052100000000, 0.0005976700000000 ] - [ 0.0000184300000000, 0.0000053300000000, 0.0000335000000000 ] - [ -0.0000086800000000, 0.0000051500000000, -0.0000286900000000 ] - [ -0.0000089600000000, 0.0000052000000000, 0.0006334700000000 ] - [ -0.0000082400000000, 0.0000048300000000, 0.0005622800000000 ] - [ -0.0707352300000000, -0.0010550900000000, -0.0004456600000000 ] - [ -0.0000063900000000, 0.0000055500000000, 0.0006499200000000 ] - [ -0.0000084800000000, 0.0000052500000000, 0.0001451800000000 ] - [ -0.0000085900000000, 0.0000048200000000, 0.0004942500000000 ] - [ 0.0003172600000000, 0.0000046200000000, 0.0005283100000000 ] - [ 0.0000024900000000, -0.0000008500000000, 0.0003308300000000 ] - [ -0.0000088200000000, 0.0000051100000000, 0.0002036000000000 ] - [ 0.0000022700000000, -0.0000010200000000, 0.0004881500000000 ] - [ 0.0000022900000000, -0.0000014700000000, -0.0000945500000000 ] - [ -0.0000089500000000, 0.0000056400000000, 0.0001057800000000 ] - [ 0.0000027100000000, -0.0000008600000000, 0.0004447500000000 ] - [ 0.0039455000000000, -0.0000032400000000, 0.0003156100000000 ] - [ -0.0000088600000000, 0.0000054300000000, 0.0008654900000000 ] - [ 0.0003163000000000, 0.0000069500000000, 0.0003259800000000 ] - [ -0.0000091400000000, 0.0000050200000000, 0.0002108100000000 ] - [ -0.0000086400000000, 0.0000051800000000, -0.0000291000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0323006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012782200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011782400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000680000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017267200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015326100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015084400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010294400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013097900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0539546900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015961800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012315600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012645600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012188800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011519400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014359500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012330800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010610500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016545600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014091300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011137000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015926700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008845000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016606900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010302500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017142200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016054800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1081836700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015486100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015425600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011648900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015084300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108529600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019174900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014483900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012624300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010197700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010905100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013480000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0336789300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008537800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005885000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008277800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003278700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0571366200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005180600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008488000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012649200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008908200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006868300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002794900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008286500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102290800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010035400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005018000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012596700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010857100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003937900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003807700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005885700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006081500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007513700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008910300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006037900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011381700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009781800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102986200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010967300000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000551100000000, -0.0000074400000000, 0.0000497400000000 ] - [ -0.0000189500000000, 0.0000102000000000, 0.0002616000000000 ] - [ 0.0000114900000000, -0.0000074600000000, -0.0004568700000000 ] - [ -0.0000184800000000, 0.0000113800000000, -0.0002372000000000 ] - [ 0.0018536300000000, 0.0000133000000000, -0.0000093500000000 ] - [ 0.0000113100000000, -0.0000072400000000, -0.0002873600000000 ] - [ 0.0000123400000000, -0.0000068600000000, -0.0005817000000000 ] - [ 0.0000114500000000, -0.0000066000000000, -0.0004604900000000 ] - [ 0.0000131800000000, -0.0000074100000000, -0.0004611400000000 ] - [ -0.0008547700000000, -0.0000073300000000, -0.0002357800000000 ] - [ -0.0000168300000000, 0.0000100300000000, 0.0000141600000000 ] - [ -0.0000194200000000, 0.0000098600000000, -0.0007585600000000 ] - [ 0.0000110400000000, -0.0000064400000000, -0.0003064700000000 ] - [ 0.0000056500000000, -0.0000070400000000, -0.0003588400000000 ] - [ 0.0000118100000000, -0.0000073500000000, -0.0005376300000000 ] - [ 0.0000113900000000, -0.0000068700000000, -0.0007908700000000 ] - [ -0.0000172800000000, 0.0000096700000000, -0.0001583800000000 ] - [ 0.0000130400000000, -0.0000072000000000, -0.0001816400000000 ] - [ 0.0004788000000000, -0.0000095400000000, -0.0002956200000000 ] - [ 0.0000148600000000, -0.0000069200000000, 0.0001604200000000 ] - [ 0.0000111800000000, -0.0000073600000000, -0.0001091800000000 ] - [ 0.0607120100000000, 0.0010208700000000, 0.0005322300000000 ] - [ 0.0000126200000000, -0.0000073000000000, -0.0005966600000000 ] - [ 0.0000131900000000, -0.0000080800000000, -0.0006170900000000 ] - [ 0.0000123200000000, -0.0000065500000000, -0.0003351600000000 ] - [ 0.0000126500000000, -0.0000074200000000, -0.0007838200000000 ] - [ -0.0000466900000000, -0.0000078300000000, -0.0002287600000000 ] - [ 0.0000123900000000, -0.0000078800000000, -0.0000265600000000 ] - [ 0.0039492800000000, 0.0000266300000000, 0.0006166800000000 ] - [ -0.0000081500000000, 0.0000050900000000, 0.0002448300000000 ] - [ -0.0000091200000000, 0.0000055400000000, 0.0003406800000000 ] - [ -0.0000085400000000, 0.0000054800000000, -0.0001218300000000 ] - [ -0.0000082100000000, 0.0000050800000000, 0.0000503500000000 ] - [ -0.0000057300000000, 0.0000050300000000, 0.0005528700000000 ] - [ 0.0000030600000000, -0.0000012100000000, -0.0001763300000000 ] - [ -0.0000090800000000, 0.0000052700000000, 0.0005918000000000 ] - [ -0.0000082800000000, 0.0000051400000000, 0.0000283100000000 ] - [ -0.0000083500000000, 0.0000052200000000, -0.0000493800000000 ] - [ 0.0003175000000000, 0.0000048500000000, 0.0006341900000000 ] - [ 0.0039504200000000, -0.0000034700000000, 0.0005551200000000 ] - [ -0.0000058400000000, 0.0000050100000000, 0.0002538200000000 ] - [ -0.0707634700000000, -0.0010545700000000, -0.0000612500000000 ] - [ -0.0000081400000000, 0.0000053200000000, 0.0001400300000000 ] - [ -0.0000082100000000, 0.0000047600000000, 0.0004724100000000 ] - [ 0.0003176300000000, 0.0000060800000000, 0.0005228900000000 ] - [ 0.0000028800000000, -0.0000008600000000, 0.0003252500000000 ] - [ -0.0000085400000000, 0.0000051600000000, 0.0002163700000000 ] - [ 0.0000027400000000, -0.0000010200000000, 0.0004720600000000 ] - [ 0.0000023300000000, -0.0000014200000000, -0.0000739400000000 ] - [ -0.0000084800000000, 0.0000057200000000, 0.0001156600000000 ] - [ 0.0000029600000000, -0.0000007100000000, 0.0004702700000000 ] - [ 0.0000179000000000, 0.0000053900000000, 0.0003235700000000 ] - [ 0.0000185000000000, 0.0000052900000000, 0.0008547800000000 ] - [ -0.0000088800000000, 0.0000058600000000, 0.0003245600000000 ] - [ -0.0000088100000000, 0.0000050800000000, 0.0002047100000000 ] - [ -0.0000083900000000, 0.0000050600000000, -0.0000314900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010560400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008069400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015197600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542039900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015290000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015074000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000348300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010242800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012387900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013464500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008556900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012288000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016320400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018425100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013163400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010567400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112656400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013975600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008904600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010942700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010318200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017823200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013001900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1078488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015540800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013825900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012495100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015409300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011604500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014448900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018996100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013861100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012677700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010218800000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006005500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008619000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0568860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006274600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010761100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003347300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008005300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005061200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002344200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008706300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007200000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012575700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0332873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004216900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006974600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002736800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009124000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011099200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099027300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007721300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007292000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011404100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009990100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005090300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004669800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010231700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010793300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101838400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008123100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1121651300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009736300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005953800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006003800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007721100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006321900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011095800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006791600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007199000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008629600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010992500000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000124600000000, -0.0000072000000000, 0.0000443800000000 ] - [ -0.0000193100000000, 0.0000104500000000, 0.0002712500000000 ] - [ 0.0000119500000000, -0.0000074000000000, -0.0004488900000000 ] - [ -0.0000570600000000, 0.0000112200000000, -0.0002384900000000 ] - [ 0.0000117600000000, -0.0000067900000000, -0.0001083300000000 ] - [ 0.0000117400000000, -0.0000070200000000, -0.0002988600000000 ] - [ 0.0000121100000000, -0.0000070500000000, -0.0005867700000000 ] - [ 0.0000145000000000, -0.0000066900000000, -0.0004661600000000 ] - [ 0.0017903500000000, 0.0000127000000000, -0.0003707600000000 ] - [ 0.0000111500000000, -0.0000068000000000, -0.0002408100000000 ] - [ -0.0000175300000000, 0.0000101200000000, 0.0000176300000000 ] - [ 0.0001535900000000, 0.0000070900000000, -0.0007548500000000 ] - [ 0.0000104000000000, -0.0000068400000000, -0.0002845000000000 ] - [ 0.0000114100000000, -0.0000068900000000, -0.0003731800000000 ] - [ 0.0603209200000000, 0.0010135300000000, 0.0000701800000000 ] - [ 0.0004782100000000, -0.0000086800000000, -0.0007920600000000 ] - [ -0.0000195200000000, 0.0000100800000000, -0.0001615200000000 ] - [ 0.0000121200000000, -0.0000077000000000, -0.0001918700000000 ] - [ 0.0000117300000000, -0.0000074100000000, -0.0003099800000000 ] - [ 0.0000114200000000, -0.0000067300000000, 0.0001889900000000 ] - [ 0.0000113400000000, -0.0000067600000000, -0.0001233400000000 ] - [ 0.0000126800000000, -0.0000078000000000, -0.0000815700000000 ] - [ 0.0000125500000000, -0.0000073800000000, -0.0005772600000000 ] - [ 0.0000549100000000, -0.0000080800000000, -0.0006270900000000 ] - [ 0.0000117200000000, -0.0000068900000000, -0.0003695700000000 ] - [ 0.0000126300000000, -0.0000074100000000, -0.0007826100000000 ] - [ 0.0000129200000000, -0.0000074000000000, -0.0002202300000000 ] - [ 0.0000121400000000, -0.0000078500000000, -0.0000023500000000 ] - [ -0.0000087100000000, 0.0000051300000000, 0.0005996200000000 ] - [ -0.0000087500000000, 0.0000047800000000, 0.0002291300000000 ] - [ -0.0000094500000000, 0.0000055500000000, 0.0003708600000000 ] - [ -0.0000088900000000, 0.0000056400000000, -0.0001828800000000 ] - [ -0.0000059200000000, 0.0000050600000000, 0.0000527000000000 ] - [ -0.0000088000000000, 0.0000049400000000, 0.0005137000000000 ] - [ 0.0027100000000000, 0.0000214500000000, -0.0001627100000000 ] - [ -0.0000091500000000, 0.0000052300000000, 0.0006075300000000 ] - [ -0.0000084800000000, 0.0000049300000000, 0.0000389200000000 ] - [ 0.0003155000000000, 0.0000045900000000, -0.0000161400000000 ] - [ -0.0000086800000000, 0.0000049800000000, 0.0006345900000000 ] - [ -0.0000083300000000, 0.0000048200000000, 0.0005713600000000 ] - [ -0.0000086600000000, 0.0000050200000000, 0.0002712900000000 ] - [ -0.0000091000000000, 0.0000055700000000, 0.0006516200000000 ] - [ -0.0698502100000000, -0.0010466000000000, -0.0005507700000000 ] - [ -0.0000085800000000, 0.0000049600000000, 0.0005115900000000 ] - [ -0.0000083900000000, 0.0000049900000000, 0.0005285700000000 ] - [ 0.0000112600000000, -0.0000008500000000, 0.0003368600000000 ] - [ -0.0000088700000000, 0.0000052500000000, 0.0001975000000000 ] - [ 0.0000024000000000, -0.0000011200000000, 0.0004986700000000 ] - [ 0.0000990500000000, -0.0000001900000000, -0.0001115400000000 ] - [ -0.0000079200000000, 0.0000056300000000, 0.0000980000000000 ] - [ 0.0000026600000000, -0.0000009900000000, 0.0004258600000000 ] - [ -0.0000096400000000, 0.0000054300000000, 0.0003118500000000 ] - [ -0.0000091600000000, 0.0000052900000000, 0.0008768600000000 ] - [ -0.0000094600000000, 0.0000058600000000, 0.0003299300000000 ] - [ 0.0000179200000000, 0.0000050800000000, 0.0002150200000000 ] - [ 0.0039431000000000, -0.0000028300000000, -0.0000293600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015304400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011888700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0539298600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000179000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013188900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014306200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0322414900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012822800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008674800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012379200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016440000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017386300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012722400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013497400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014198500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009600800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016323200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016756000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011045500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010941500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017355800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016222800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013002200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017371200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1093127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015475900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015673300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012661700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015266300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010660500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011895700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015430900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013930100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104405900000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010988700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013584300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009013600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009480100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007852000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006044200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0572857400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011084300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014377100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008287600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007015100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0337780200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002207100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008987300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007520700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009008600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009865200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005326700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006922900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011074800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004718200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008051300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007096900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010172600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005229700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109745900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004704800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010396600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004088200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008272900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003912100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1125093000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005440900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007514800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006027700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010020600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006930200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007332300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107595100000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000123400000000, -0.0000071300000000, 0.0000452800000000 ] - [ 0.0001542800000000, 0.0000078100000000, 0.0002665000000000 ] - [ 0.0000121400000000, -0.0000073400000000, -0.0004508900000000 ] - [ -0.0000180100000000, 0.0000115000000000, -0.0002292200000000 ] - [ 0.0000115400000000, -0.0000067200000000, -0.0001044900000000 ] - [ 0.0000116700000000, -0.0000070200000000, -0.0002989400000000 ] - [ 0.0000122600000000, -0.0000070400000000, -0.0005862300000000 ] - [ 0.0000111300000000, -0.0000066000000000, -0.0004672700000000 ] - [ 0.0000129000000000, -0.0000074500000000, -0.0004582400000000 ] - [ 0.0000110400000000, -0.0000067900000000, -0.0002409800000000 ] - [ -0.0000556700000000, 0.0000098300000000, 0.0000232200000000 ] - [ -0.0000193100000000, 0.0000099000000000, -0.0007491300000000 ] - [ 0.0000531800000000, -0.0000068900000000, -0.0002814700000000 ] - [ 0.0000114400000000, -0.0000068700000000, -0.0003747400000000 ] - [ 0.0000118100000000, -0.0000071900000000, -0.0005330900000000 ] - [ 0.0000114100000000, -0.0000065500000000, -0.0007967500000000 ] - [ -0.0000170900000000, 0.0000101000000000, -0.0001613300000000 ] - [ 0.0004798900000000, -0.0000100100000000, -0.0001917800000000 ] - [ 0.0000118100000000, -0.0000074200000000, -0.0003075600000000 ] - [ 0.0000112900000000, -0.0000067800000000, 0.0001912900000000 ] - [ 0.0603826900000000, 0.0010148200000000, 0.0004745100000000 ] - [ 0.0000130700000000, -0.0000077500000000, -0.0000802900000000 ] - [ 0.0000160900000000, -0.0000075300000000, -0.0005784900000000 ] - [ 0.0000131000000000, -0.0000078800000000, -0.0006265500000000 ] - [ 0.0017781100000000, 0.0000134200000000, -0.0002708400000000 ] - [ 0.0000126400000000, -0.0000074400000000, -0.0007812900000000 ] - [ 0.0000125700000000, -0.0000074000000000, -0.0002226000000000 ] - [ 0.0000124200000000, -0.0000078100000000, -0.0000034000000000 ] - [ -0.0000087800000000, 0.0000049600000000, 0.0005966300000000 ] - [ -0.0000086500000000, 0.0000048600000000, 0.0002416900000000 ] - [ 0.0003155800000000, 0.0000052400000000, 0.0003574200000000 ] - [ 0.0000183600000000, 0.0000054600000000, -0.0001714600000000 ] - [ -0.0000086600000000, 0.0000051200000000, 0.0000514800000000 ] - [ -0.0000084100000000, 0.0000052100000000, 0.0005120200000000 ] - [ 0.0000030500000000, -0.0000014200000000, -0.0001825600000000 ] - [ 0.0039475000000000, -0.0000028200000000, 0.0006055900000000 ] - [ -0.0000085200000000, 0.0000050700000000, 0.0000339400000000 ] - [ -0.0000088200000000, 0.0000050800000000, -0.0000213600000000 ] - [ -0.0000089600000000, 0.0000050600000000, 0.0006363800000000 ] - [ -0.0000083600000000, 0.0000047700000000, 0.0005666900000000 ] - [ -0.0000085800000000, 0.0000049100000000, 0.0002571300000000 ] - [ -0.0000090300000000, 0.0000055100000000, 0.0006571100000000 ] - [ -0.0000084100000000, 0.0000054800000000, 0.0001475700000000 ] - [ -0.0699141000000000, -0.0010481700000000, -0.0002052400000000 ] - [ -0.0000085800000000, 0.0000049500000000, 0.0005270100000000 ] - [ 0.0000027200000000, -0.0000010200000000, 0.0003297800000000 ] - [ -0.0000011400000000, 0.0000053600000000, 0.0001922000000000 ] - [ 0.0027103700000000, 0.0000217400000000, 0.0005047400000000 ] - [ 0.0000020200000000, -0.0000015500000000, -0.0001048300000000 ] - [ -0.0000060500000000, 0.0000057100000000, 0.0001051300000000 ] - [ 0.0001005900000000, 0.0000003000000000, 0.0004457800000000 ] - [ -0.0000096000000000, 0.0000053700000000, 0.0003338800000000 ] - [ -0.0000088800000000, 0.0000053200000000, 0.0008707300000000 ] - [ -0.0000094100000000, 0.0000057100000000, 0.0003239600000000 ] - [ -0.0000091800000000, 0.0000049600000000, 0.0002099200000000 ] - [ -0.0000088100000000, 0.0000051000000000, -0.0000265600000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015280300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011867500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013510000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016761000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015403900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015197500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013242200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010748400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018323600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013419800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014340400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012471300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008661200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0541497500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012693900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010664700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016658700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013390300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014744400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009622600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011247200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016199600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008980700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111156900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010428700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017321700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013083900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017464500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012038500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1090831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015818000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012564000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0114266400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015885800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014592600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010261500000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011182600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004150100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006261800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008301900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009623800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006142000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003245700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008347000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006893100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005466700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002858700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009117200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007457900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012943600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333674800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0573927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008897100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010896800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005176400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008926600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007232200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013139400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010243500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012846100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010778300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009046200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1129295100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004733100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006831700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102454800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012126400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007263300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007706200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008586100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010666400000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000131600000000, -0.0000073000000000, 0.0000527800000000 ] - [ -0.0000189900000000, 0.0000102700000000, 0.0002631300000000 ] - [ -0.0000476100000000, -0.0000077400000000, -0.0004532700000000 ] - [ -0.0000183700000000, 0.0000113400000000, -0.0002392900000000 ] - [ 0.0000544100000000, -0.0000069000000000, -0.0000944800000000 ] - [ 0.0000058000000000, -0.0000071800000000, -0.0002900600000000 ] - [ 0.0000120000000000, -0.0000067900000000, -0.0005798700000000 ] - [ 0.0000114600000000, -0.0000065700000000, -0.0004611900000000 ] - [ 0.0000127800000000, -0.0000072900000000, -0.0004599700000000 ] - [ 0.0018583900000000, 0.0000135100000000, -0.0001451500000000 ] - [ -0.0000169000000000, 0.0000100100000000, 0.0000094500000000 ] - [ -0.0000189000000000, 0.0000098300000000, -0.0007611000000000 ] - [ 0.0000112600000000, -0.0000064200000000, -0.0003205200000000 ] - [ -0.0008545600000000, -0.0000076500000000, -0.0003614300000000 ] - [ 0.0000117100000000, -0.0000073400000000, -0.0005365100000000 ] - [ 0.0000112900000000, -0.0000068000000000, -0.0007908400000000 ] - [ -0.0000172800000000, 0.0000097000000000, -0.0001555500000000 ] - [ 0.0000129900000000, -0.0000071600000000, -0.0001781300000000 ] - [ 0.0000154400000000, -0.0000072700000000, -0.0002963900000000 ] - [ 0.0000116000000000, -0.0000068800000000, 0.0001553300000000 ] - [ 0.0000115400000000, -0.0000072300000000, -0.0001044000000000 ] - [ 0.0004798100000000, -0.0000100300000000, -0.0000726400000000 ] - [ 0.0000127600000000, -0.0000073200000000, -0.0006004700000000 ] - [ 0.0000131900000000, -0.0000080100000000, -0.0006148400000000 ] - [ 0.0000116600000000, -0.0000066100000000, -0.0003314700000000 ] - [ 0.0000121900000000, -0.0000074100000000, -0.0007832900000000 ] - [ 0.0606849600000000, 0.0010208200000000, 0.0003716200000000 ] - [ 0.0000124100000000, -0.0000078300000000, -0.0000303200000000 ] - [ 0.0039479900000000, -0.0000034500000000, 0.0005930800000000 ] - [ 0.0000189200000000, 0.0000049400000000, 0.0002401200000000 ] - [ -0.0000088800000000, 0.0000058400000000, 0.0003300100000000 ] - [ -0.0000086300000000, 0.0000056100000000, -0.0000942800000000 ] - [ -0.0000079700000000, 0.0000050900000000, 0.0000513100000000 ] - [ -0.0000083000000000, 0.0000053300000000, 0.0005675200000000 ] - [ 0.0000029500000000, -0.0000012600000000, -0.0001750500000000 ] - [ -0.0000090200000000, 0.0000054200000000, 0.0005846100000000 ] - [ -0.0000080700000000, 0.0000052500000000, 0.0000312400000000 ] - [ -0.0000085300000000, 0.0000050000000000, -0.0000494700000000 ] - [ -0.0000061200000000, 0.0000052300000000, 0.0006310500000000 ] - [ 0.0000192000000000, 0.0000046300000000, 0.0005546200000000 ] - [ 0.0003170100000000, 0.0000059500000000, 0.0002559000000000 ] - [ 0.0003172100000000, 0.0000051300000000, 0.0006467500000000 ] - [ -0.0000080700000000, 0.0000054900000000, 0.0001421100000000 ] - [ -0.0000084400000000, 0.0000042700000000, 0.0004583900000000 ] - [ -0.0707363100000000, -0.0010547400000000, -0.0001762400000000 ] - [ 0.0000026300000000, -0.0000010800000000, 0.0003195700000000 ] - [ -0.0000088600000000, 0.0000049900000000, 0.0002233000000000 ] - [ 0.0000025400000000, -0.0000009700000000, 0.0004657400000000 ] - [ 0.0000020600000000, -0.0000015500000000, -0.0000702400000000 ] - [ -0.0000086700000000, 0.0000059400000000, 0.0001206600000000 ] - [ 0.0000030700000000, -0.0000008200000000, 0.0004783600000000 ] - [ 0.0039462700000000, 0.0000266000000000, 0.0003377100000000 ] - [ -0.0000082700000000, 0.0000052400000000, 0.0008465400000000 ] - [ -0.0000065200000000, 0.0000061000000000, 0.0003221800000000 ] - [ -0.0000088600000000, 0.0000049100000000, 0.0001997700000000 ] - [ -0.0000085200000000, 0.0000051600000000, -0.0000263800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010181600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007994200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015745300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012791200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012068000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013512100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016649700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015285900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0540505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010373500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018251900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001545800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015974800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018655300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012285800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012581300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008718700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012224800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017064500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014359300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018468100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325674700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010571100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110626800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014068500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009348600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011095000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016048500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016570500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010867900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010307800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017216300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016006400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013707800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015467900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1078882800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013895800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009555900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011627900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015032300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019076800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013950000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012646100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010235300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010950100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006564600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004554600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005863000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0570087800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010864000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003235300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008045900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005218500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002484400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008516400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007523200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012615700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008938300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009468700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004164700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006897100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334283600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010939000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007951800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007055000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012550700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004527200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010818600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003985900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005208400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008796400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005899000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1119519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007558600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008920200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006234000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010952800000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000124900000000, -0.0000072300000000, 0.0000425200000000 ] - [ -0.0000188800000000, 0.0000103200000000, 0.0002628100000000 ] - [ 0.0000117600000000, -0.0000073300000000, -0.0004537700000000 ] - [ 0.0017506300000000, -0.0000088900000000, -0.0001394100000000 ] - [ 0.0000117400000000, -0.0000066900000000, -0.0001079700000000 ] - [ 0.0000115800000000, -0.0000070200000000, -0.0002944300000000 ] - [ 0.0000124200000000, -0.0000069900000000, -0.0005898600000000 ] - [ 0.0000110600000000, -0.0000065500000000, -0.0004633300000000 ] - [ 0.0000140200000000, -0.0000072700000000, -0.0004581500000000 ] - [ 0.0000113600000000, -0.0000067200000000, -0.0002441300000000 ] - [ -0.0000172500000000, 0.0000100100000000, 0.0000193000000000 ] - [ 0.0004495700000000, 0.0000120400000000, -0.0007581600000000 ] - [ -0.0000270600000000, -0.0000063800000000, -0.0002755900000000 ] - [ 0.0000114900000000, -0.0000068300000000, -0.0003691600000000 ] - [ 0.0000691800000000, -0.0000071400000000, -0.0005388900000000 ] - [ 0.0000113900000000, -0.0000066700000000, -0.0007971700000000 ] - [ 0.0603334000000000, -0.0010107600000000, 0.0004375800000000 ] - [ 0.0000110600000000, -0.0000075400000000, -0.0001883800000000 ] - [ 0.0000124000000000, -0.0000072900000000, -0.0003022400000000 ] - [ 0.0000115300000000, -0.0000069400000000, 0.0001879800000000 ] - [ 0.0000116400000000, -0.0000068800000000, -0.0001277800000000 ] - [ 0.0000132700000000, -0.0000077800000000, -0.0000775200000000 ] - [ 0.0001856600000000, -0.0000047500000000, -0.0005929300000000 ] - [ 0.0000131000000000, -0.0000079000000000, -0.0006257100000000 ] - [ 0.0000119900000000, -0.0000067300000000, -0.0003560700000000 ] - [ 0.0000120300000000, -0.0000075200000000, -0.0007847500000000 ] - [ 0.0000127500000000, -0.0000074000000000, -0.0002225300000000 ] - [ 0.0000119000000000, -0.0000077200000000, -0.0000145900000000 ] - [ -0.0000084800000000, 0.0000048800000000, 0.0005958200000000 ] - [ -0.0000083200000000, 0.0000048000000000, 0.0002533200000000 ] - [ 0.0000004200000000, 0.0000061000000000, 0.0003124300000000 ] - [ 0.0000884400000000, 0.0000038000000000, -0.0000390000000000 ] - [ -0.0000077600000000, 0.0000050700000000, 0.0000501000000000 ] - [ -0.0000086200000000, 0.0000055000000000, 0.0006068000000000 ] - [ 0.0003350500000000, -0.0000010000000000, -0.0001817100000000 ] - [ -0.0000078300000000, 0.0000053400000000, 0.0005739000000000 ] - [ -0.0000083600000000, 0.0000055600000000, 0.0000314700000000 ] - [ -0.0000084600000000, 0.0000048800000000, -0.0000562300000000 ] - [ -0.0000092700000000, 0.0000053300000000, 0.0006377200000000 ] - [ -0.0000082600000000, 0.0000046800000000, 0.0005376900000000 ] - [ -0.0000086000000000, 0.0000047300000000, 0.0002484000000000 ] - [ -0.0000088500000000, 0.0000056000000000, 0.0006548000000000 ] - [ 0.0000005000000000, 0.0000055000000000, 0.0001341800000000 ] - [ -0.0000087700000000, 0.0000037200000000, 0.0004369600000000 ] - [ -0.0000085400000000, 0.0000048200000000, 0.0005289600000000 ] - [ -0.0698922200000000, 0.0010507900000000, -0.0003925000000000 ] - [ -0.0000090700000000, 0.0000046900000000, 0.0002238700000000 ] - [ 0.0000024900000000, -0.0000007500000000, 0.0004544900000000 ] - [ 0.0039581400000000, 0.0000064800000000, -0.0000602700000000 ] - [ 0.0027003500000000, -0.0000167700000000, 0.0001364200000000 ] - [ 0.0000034900000000, -0.0000010300000000, 0.0004917500000000 ] - [ -0.0000096100000000, 0.0000046200000000, 0.0003419000000000 ] - [ -0.0000082800000000, 0.0000053100000000, 0.0008244000000000 ] - [ -0.0000091800000000, 0.0000060800000000, 0.0003217900000000 ] - [ -0.0000092600000000, 0.0000046900000000, 0.0001869900000000 ] - [ -0.0000073900000000, 0.0000051000000000, -0.0000221400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010432100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008473800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0542427300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011770700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013850300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016486700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015182100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015526600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013057400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009794400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018004000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013174800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018467000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013191900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018672900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012383800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010719500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011250700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017133700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010828900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017355700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015356000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017260000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012380100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016982200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1090930500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016237100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013239100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020295000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012892900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010547400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006094200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0571251200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009472200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007850200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004616700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005965000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006290200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008128700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011058500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008613800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005496300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002568900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012456100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004233600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006953500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002840400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008675200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008066400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010134600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005208900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004678900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010389100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010948600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005296900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009497600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005470800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1128019400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107092200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006334200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006914300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002148100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007311400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011084300000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000492800000000, -0.0000074900000000, 0.0000456000000000 ] - [ 0.0003051300000000, 0.0000135600000000, 0.0002650600000000 ] - [ 0.0000119100000000, -0.0000074000000000, -0.0004478700000000 ] - [ -0.0000184400000000, 0.0000114700000000, -0.0002352700000000 ] - [ 0.0000111600000000, -0.0000068000000000, -0.0001032700000000 ] - [ 0.0000114600000000, -0.0000070400000000, -0.0002992700000000 ] - [ 0.0000125500000000, -0.0000069200000000, -0.0005841800000000 ] - [ 0.0000115800000000, -0.0000066200000000, -0.0004661900000000 ] - [ 0.0000126100000000, -0.0000074600000000, -0.0004587400000000 ] - [ 0.0000111200000000, -0.0000067500000000, -0.0002372200000000 ] - [ 0.0026084400000000, 0.0000238300000000, 0.0001154600000000 ] - [ -0.0000191800000000, 0.0000098200000000, -0.0007539000000000 ] - [ 0.0000110400000000, -0.0000067800000000, -0.0002847000000000 ] - [ 0.0000114200000000, -0.0000069200000000, -0.0003731500000000 ] - [ 0.0000112100000000, -0.0000072100000000, -0.0005353600000000 ] - [ 0.0000112400000000, -0.0000066100000000, -0.0007915200000000 ] - [ -0.0000180200000000, 0.0000100200000000, -0.0001591800000000 ] - [ 0.0000128400000000, -0.0000076000000000, -0.0001907400000000 ] - [ 0.0000058400000000, -0.0000074000000000, -0.0003054000000000 ] - [ -0.0008589900000000, -0.0000067600000000, 0.0001850900000000 ] - [ 0.0000621400000000, -0.0000065900000000, -0.0001263600000000 ] - [ 0.0000126200000000, -0.0000078200000000, -0.0000787500000000 ] - [ 0.0000125000000000, -0.0000074000000000, -0.0005795900000000 ] - [ 0.0000129600000000, -0.0000080400000000, -0.0006251800000000 ] - [ 0.0000127700000000, -0.0000067700000000, -0.0003595600000000 ] - [ 0.0000123300000000, -0.0000073500000000, -0.0007808400000000 ] - [ 0.0000126700000000, -0.0000074400000000, -0.0002230300000000 ] - [ 0.0599275200000000, 0.0010277600000000, 0.0005965100000000 ] - [ -0.0000083800000000, 0.0000050200000000, 0.0005970800000000 ] - [ -0.0000085700000000, 0.0000048600000000, 0.0002299700000000 ] - [ -0.0000093000000000, 0.0000054700000000, 0.0003548800000000 ] - [ -0.0000088200000000, 0.0000055600000000, -0.0001595800000000 ] - [ -0.0000083500000000, 0.0000051600000000, 0.0000503200000000 ] - [ 0.0040924000000000, 0.0000241900000000, 0.0005441100000000 ] - [ 0.0000028600000000, -0.0000013800000000, -0.0001767700000000 ] - [ -0.0000076400000000, 0.0000054300000000, 0.0006024800000000 ] - [ -0.0000085600000000, 0.0000051100000000, 0.0000361300000000 ] - [ -0.0000089300000000, 0.0000050700000000, -0.0000284500000000 ] - [ 0.0000193200000000, 0.0000051600000000, 0.0006349100000000 ] - [ -0.0000054700000000, 0.0000047500000000, 0.0005648000000000 ] - [ -0.0000085800000000, 0.0000050100000000, 0.0002671700000000 ] - [ -0.0000086700000000, 0.0000055300000000, 0.0006523200000000 ] - [ -0.0000083200000000, 0.0000055300000000, 0.0001457200000000 ] - [ -0.0000007100000000, 0.0000048000000000, 0.0004950800000000 ] - [ -0.0000081900000000, 0.0000049200000000, 0.0005278600000000 ] - [ 0.0000024400000000, -0.0000010700000000, 0.0003311600000000 ] - [ -0.0694527000000000, -0.0010865900000000, -0.0005174800000000 ] - [ 0.0002913300000000, 0.0000000600000000, 0.0004853000000000 ] - [ 0.0000019700000000, -0.0000015700000000, -0.0000965800000000 ] - [ -0.0000088700000000, 0.0000057300000000, 0.0001094100000000 ] - [ 0.0027108900000000, 0.0000162900000000, 0.0004561000000000 ] - [ -0.0000095000000000, 0.0000053400000000, 0.0003113100000000 ] - [ 0.0003242800000000, 0.0000060700000000, 0.0008653200000000 ] - [ -0.0000093300000000, 0.0000059400000000, 0.0003271900000000 ] - [ -0.0000091500000000, 0.0000050800000000, 0.0002079300000000 ] - [ -0.0000086100000000, 0.0000052100000000, -0.0000261100000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010927100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015268500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013630100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016643200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015382500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013217700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0539852300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014533400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004318500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012610200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011519200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018674100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012721800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326443100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013243700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014208500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009486000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011269500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009005700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016642600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010447000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017334900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013276700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015655600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1081359400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009614600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011921400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111849300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014342100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014145300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010394500000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008266800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007819700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006212000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008470100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0563418900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008412200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007019000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005589700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002933900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009323400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008719500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000105300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009773800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005297500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006728700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008875000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005105100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008476200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006117800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012969200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010465600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100948400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012898600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004717100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010513200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004117100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005647400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008061900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004629100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006043000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006576500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1115029100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012938800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010516400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106375600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002045900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007322600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008307800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010600800000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000123900000000, -0.0000072300000000, 0.0000430200000000 ] - [ 0.0599569800000000, -0.0010257500000000, 0.0008652600000000 ] - [ 0.0000123100000000, -0.0000074300000000, -0.0004485200000000 ] - [ -0.0000185300000000, 0.0000114600000000, -0.0002313700000000 ] - [ 0.0000118100000000, -0.0000068500000000, -0.0001061300000000 ] - [ 0.0000119700000000, -0.0000071000000000, -0.0002979500000000 ] - [ 0.0000125700000000, -0.0000071500000000, -0.0005875200000000 ] - [ 0.0000117800000000, -0.0000066400000000, -0.0004675300000000 ] - [ 0.0000131000000000, -0.0000075100000000, -0.0004582600000000 ] - [ 0.0000115300000000, -0.0000068500000000, -0.0002396300000000 ] - [ -0.0008835800000000, 0.0000099900000000, 0.0000297100000000 ] - [ -0.0000193900000000, 0.0000098200000000, -0.0007529500000000 ] - [ 0.0000143000000000, -0.0000069000000000, -0.0002697500000000 ] - [ 0.0000116300000000, -0.0000069600000000, -0.0003748100000000 ] - [ 0.0000120100000000, -0.0000072300000000, -0.0005358800000000 ] - [ 0.0000115400000000, -0.0000065900000000, -0.0007960300000000 ] - [ -0.0000174400000000, 0.0000100400000000, -0.0001610500000000 ] - [ 0.0000493700000000, -0.0000079300000000, -0.0001946900000000 ] - [ 0.0000119800000000, -0.0000074800000000, -0.0003072100000000 ] - [ 0.0000066800000000, -0.0000068200000000, 0.0001944800000000 ] - [ 0.0026348700000000, -0.0000205000000000, -0.0000430400000000 ] - [ 0.0000131300000000, -0.0000078400000000, -0.0000803100000000 ] - [ 0.0000132500000000, -0.0000074900000000, -0.0005733300000000 ] - [ 0.0000130700000000, -0.0000080100000000, -0.0006296700000000 ] - [ 0.0003341800000000, -0.0000100700000000, -0.0003668200000000 ] - [ 0.0000126200000000, -0.0000075100000000, -0.0007815200000000 ] - [ 0.0000128100000000, -0.0000075300000000, -0.0002204100000000 ] - [ 0.0000064100000000, -0.0000079700000000, 0.0000003400000000 ] - [ -0.0000084400000000, 0.0000051100000000, 0.0006001900000000 ] - [ -0.0000085500000000, 0.0000048900000000, 0.0002334400000000 ] - [ 0.0000132400000000, 0.0000053900000000, 0.0003612200000000 ] - [ -0.0000064000000000, 0.0000055000000000, -0.0001711900000000 ] - [ -0.0000082900000000, 0.0000051200000000, 0.0000500200000000 ] - [ 0.0000086000000000, 0.0000051200000000, 0.0005189700000000 ] - [ 0.0000031200000000, -0.0000013500000000, -0.0001785500000000 ] - [ 0.0002757600000000, 0.0000042700000000, 0.0006029800000000 ] - [ -0.0000083600000000, 0.0000050600000000, 0.0000371900000000 ] - [ -0.0000086800000000, 0.0000050700000000, -0.0000223900000000 ] - [ -0.0000083900000000, 0.0000051400000000, 0.0006353400000000 ] - [ -0.0000080700000000, 0.0000048200000000, 0.0005667600000000 ] - [ -0.0000085700000000, 0.0000050200000000, 0.0002657500000000 ] - [ -0.0000089200000000, 0.0000055400000000, 0.0006520000000000 ] - [ -0.0000080600000000, 0.0000054300000000, 0.0001452200000000 ] - [ 0.0026993800000000, -0.0000124700000000, 0.0005088600000000 ] - [ -0.0000082900000000, 0.0000050300000000, 0.0005257400000000 ] - [ 0.0000025100000000, -0.0000010300000000, 0.0003318600000000 ] - [ 0.0002802500000000, 0.0000047300000000, 0.0001985200000000 ] - [ -0.0695030400000000, 0.0010907000000000, -0.0002321900000000 ] - [ 0.0000022200000000, -0.0000015700000000, -0.0001023400000000 ] - [ -0.0000084100000000, 0.0000056600000000, 0.0001055500000000 ] - [ 0.0040950100000000, -0.0000200200000000, 0.0004625100000000 ] - [ -0.0000094000000000, 0.0000054500000000, 0.0003157200000000 ] - [ -0.0000069900000000, 0.0000054100000000, 0.0008698700000000 ] - [ -0.0000089500000000, 0.0000058300000000, 0.0003279700000000 ] - [ -0.0000089800000000, 0.0000051100000000, 0.0002106100000000 ] - [ -0.0000086200000000, 0.0000050800000000, -0.0000280200000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328686500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015308100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012853400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011951000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016769800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015417000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018353700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014391600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018832100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013034300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013882000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008747900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0538130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011533500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016464500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018567100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012726100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011122600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016689700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013423700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009499600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017446700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011039000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017311900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016085500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013140700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015941300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013473900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1079587800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009796400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0112078100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014031100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010338800000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0328011400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006333700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008426000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009608900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008313300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001366800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006936700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005443900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009103300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007457100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013127200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0565730400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009818200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006501300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008905500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011370800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008747000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006609200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010335900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006171500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012993700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004972800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010654000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010662800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007979600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104540900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004969200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1118681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012566300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101960100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007738300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008576600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010585300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000127000000000, -0.0000072500000000, 0.0000464000000000 ] - [ -0.0000190400000000, 0.0000103500000000, 0.0002675300000000 ] - [ 0.0000120800000000, -0.0000074100000000, -0.0004484200000000 ] - [ 0.0608057300000000, -0.0010189500000000, 0.0003649000000000 ] - [ 0.0000112900000000, -0.0000068900000000, -0.0001038000000000 ] - [ 0.0000115700000000, -0.0000070800000000, -0.0002971100000000 ] - [ 0.0000125100000000, -0.0000070300000000, -0.0005859700000000 ] - [ 0.0000120400000000, -0.0000065900000000, -0.0004660400000000 ] - [ 0.0000232100000000, -0.0000074200000000, -0.0004604000000000 ] - [ 0.0000114300000000, -0.0000068100000000, -0.0002383900000000 ] - [ -0.0000168600000000, 0.0000100200000000, 0.0000206800000000 ] - [ 0.0017822300000000, -0.0000102800000000, -0.0006627100000000 ] - [ 0.0000063200000000, -0.0000067400000000, -0.0002856600000000 ] - [ 0.0000117000000000, -0.0000069400000000, -0.0003718100000000 ] - [ 0.0006512300000000, -0.0000052800000000, -0.0005364500000000 ] - [ 0.0000131900000000, -0.0000066000000000, -0.0007926100000000 ] - [ -0.0008804900000000, 0.0000104700000000, -0.0001593100000000 ] - [ 0.0000125300000000, -0.0000076100000000, -0.0001893900000000 ] - [ 0.0000120100000000, -0.0000074300000000, -0.0003065700000000 ] - [ 0.0000116500000000, -0.0000068000000000, 0.0001833800000000 ] - [ 0.0000116300000000, -0.0000069200000000, -0.0001244100000000 ] - [ 0.0000132400000000, -0.0000078200000000, -0.0000800100000000 ] - [ 0.0000053200000000, -0.0000074500000000, -0.0005789100000000 ] - [ 0.0000132800000000, -0.0000080300000000, -0.0006266200000000 ] - [ 0.0000120300000000, -0.0000068000000000, -0.0003616900000000 ] - [ 0.0000124200000000, -0.0000074200000000, -0.0007821400000000 ] - [ 0.0000129500000000, -0.0000075200000000, -0.0002209200000000 ] - [ 0.0000122300000000, -0.0000078200000000, -0.0000062500000000 ] - [ -0.0000083800000000, 0.0000050900000000, 0.0005952500000000 ] - [ -0.0000086100000000, 0.0000049000000000, 0.0002370400000000 ] - [ -0.0000073600000000, 0.0000055100000000, 0.0003625200000000 ] - [ 0.0000085700000000, 0.0000054800000000, -0.0001653000000000 ] - [ -0.0000083600000000, 0.0000050500000000, 0.0000524800000000 ] - [ -0.0000087200000000, 0.0000049900000000, 0.0005248600000000 ] - [ 0.0041071300000000, 0.0000065700000000, -0.0001802500000000 ] - [ -0.0000088500000000, 0.0000052300000000, 0.0006003800000000 ] - [ -0.0000082700000000, 0.0000050700000000, 0.0000345300000000 ] - [ -0.0000073300000000, 0.0000050900000000, -0.0000266800000000 ] - [ -0.0000084800000000, 0.0000051000000000, 0.0006333300000000 ] - [ -0.0000080600000000, 0.0000048100000000, 0.0005662000000000 ] - [ -0.0000084200000000, 0.0000049500000000, 0.0002634600000000 ] - [ -0.0000088400000000, 0.0000055500000000, 0.0006498500000000 ] - [ 0.0000887700000000, 0.0000061800000000, 0.0001453800000000 ] - [ -0.0000083200000000, 0.0000048900000000, 0.0005003300000000 ] - [ -0.0000081900000000, 0.0000050300000000, 0.0005268600000000 ] - [ 0.0039583300000000, -0.0000223300000000, 0.0003543500000000 ] - [ -0.0000085800000000, 0.0000052100000000, 0.0001989600000000 ] - [ 0.0000023800000000, -0.0000010800000000, 0.0004901800000000 ] - [ -0.0708815500000000, 0.0010599900000000, -0.0008080300000000 ] - [ 0.0002752900000000, 0.0000048800000000, 0.0001046800000000 ] - [ 0.0000027900000000, -0.0000009100000000, 0.0004416500000000 ] - [ -0.0000092700000000, 0.0000053500000000, 0.0003173600000000 ] - [ -0.0000087200000000, 0.0000053500000000, 0.0008716700000000 ] - [ -0.0000091100000000, 0.0000058400000000, 0.0003274800000000 ] - [ -0.0000087500000000, 0.0000051000000000, 0.0002136800000000 ] - [ 0.0000087500000000, 0.0000052000000000, -0.0000295400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010326800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008058000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015108700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324644300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011728100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013304500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016692800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015240000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010151400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0538467600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014139900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018773800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000365400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012653400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013583500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012265800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011360600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016713300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017010100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014278700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018365300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012512700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010367100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016614000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009402900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016166800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103818900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016617800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010906600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017185500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016090700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012807300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015509000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110009500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012282100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015193000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1088655800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012221800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015160200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014555000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018875900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013771300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009732300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013446400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005943600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0333468600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009317100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007673300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004493500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005798600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006220200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007975900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0577988200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008131600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006855500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005131300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002425800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003734000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008443500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012587700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008831300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009714800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005635500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004098000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006782000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002668800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008551900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010945400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004584700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007994300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006930200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005154000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109729200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004480000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010807900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003928800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003695400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009682400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005709100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005248700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008912400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005879800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006319500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006807000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007049100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008465300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010853000000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000124700000000, -0.0000072300000000, 0.0000460600000000 ] - [ -0.0000191100000000, 0.0000103700000000, 0.0002695200000000 ] - [ 0.0000119000000000, -0.0000074200000000, -0.0004490300000000 ] - [ 0.0003042300000000, 0.0000146200000000, -0.0002381900000000 ] - [ 0.0000117800000000, -0.0000068300000000, -0.0001053200000000 ] - [ 0.0000116700000000, -0.0000070900000000, -0.0002970400000000 ] - [ 0.0000125000000000, -0.0000069900000000, -0.0005849000000000 ] - [ 0.0000114900000000, -0.0000066100000000, -0.0004659200000000 ] - [ 0.0000127700000000, -0.0000075100000000, -0.0004607000000000 ] - [ 0.0000114400000000, -0.0000067800000000, -0.0002378100000000 ] - [ -0.0000172600000000, 0.0000100400000000, 0.0000187900000000 ] - [ 0.0000176000000000, 0.0000099900000000, -0.0007515500000000 ] - [ -0.0008593500000000, -0.0000067000000000, -0.0002874400000000 ] - [ 0.0000117700000000, -0.0000069100000000, -0.0003710800000000 ] - [ 0.0000162300000000, -0.0000072300000000, -0.0005352200000000 ] - [ 0.0000112500000000, -0.0000065900000000, -0.0007912500000000 ] - [ 0.0026065700000000, 0.0000237300000000, -0.0000667400000000 ] - [ -0.0000491500000000, -0.0000078900000000, -0.0001905900000000 ] - [ 0.0000118500000000, -0.0000074100000000, -0.0003074600000000 ] - [ 0.0000117500000000, -0.0000067800000000, 0.0001839200000000 ] - [ 0.0000111000000000, -0.0000068500000000, -0.0001221800000000 ] - [ 0.0000132200000000, -0.0000077900000000, -0.0000803300000000 ] - [ 0.0599359600000000, 0.0010283400000000, 0.0000235700000000 ] - [ 0.0000132400000000, -0.0000080500000000, -0.0006259000000000 ] - [ 0.0000059800000000, -0.0000068400000000, -0.0003632500000000 ] - [ 0.0000125600000000, -0.0000074000000000, -0.0007820400000000 ] - [ 0.0000128200000000, -0.0000074500000000, -0.0002218400000000 ] - [ 0.0000122000000000, -0.0000078500000000, -0.0000046100000000 ] - [ -0.0000086100000000, 0.0000050700000000, 0.0005993200000000 ] - [ -0.0000087200000000, 0.0000049200000000, 0.0002316400000000 ] - [ 0.0003239800000000, 0.0000063800000000, 0.0003582100000000 ] - [ 0.0040944800000000, 0.0000245700000000, -0.0001426600000000 ] - [ -0.0000084900000000, 0.0000051200000000, 0.0000504700000000 ] - [ -0.0000087100000000, 0.0000051900000000, 0.0005230200000000 ] - [ 0.0000260200000000, -0.0000011900000000, -0.0001766900000000 ] - [ 0.0000189300000000, 0.0000053200000000, 0.0006026900000000 ] - [ -0.0000085000000000, 0.0000051400000000, 0.0000366500000000 ] - [ -0.0000086200000000, 0.0000050800000000, -0.0000256900000000 ] - [ -0.0000087100000000, 0.0000051000000000, 0.0006341000000000 ] - [ -0.0000081800000000, 0.0000047800000000, 0.0005690000000000 ] - [ -0.0000087200000000, 0.0000049500000000, 0.0002667000000000 ] - [ -0.0000088100000000, 0.0000055700000000, 0.0006483300000000 ] - [ -0.0000072600000000, 0.0000053800000000, 0.0001460300000000 ] - [ -0.0000056800000000, 0.0000048500000000, 0.0004983100000000 ] - [ -0.0000083800000000, 0.0000049900000000, 0.0005261800000000 ] - [ 0.0027113500000000, 0.0000164200000000, 0.0003392700000000 ] - [ -0.0000088700000000, 0.0000051800000000, 0.0001998900000000 ] - [ 0.0000026800000000, -0.0000009700000000, 0.0004900100000000 ] - [ 0.0002861200000000, -0.0000004100000000, -0.0000997800000000 ] - [ -0.0694645600000000, -0.0010860700000000, -0.0006127900000000 ] - [ 0.0000028400000000, -0.0000009900000000, 0.0004448200000000 ] - [ -0.0000094700000000, 0.0000053500000000, 0.0003111100000000 ] - [ -0.0000088100000000, 0.0000054000000000, 0.0008680800000000 ] - [ -0.0000092200000000, 0.0000058500000000, 0.0003279400000000 ] - [ -0.0000090500000000, 0.0000050300000000, 0.0002108700000000 ] - [ -0.0000084700000000, 0.0000051400000000, -0.0000265000000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010492900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008368700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012667600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013942000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016543700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015357000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013270200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018917400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000177700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014885500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0538146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014016400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008480700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0321025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015135000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018700800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012293400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010835400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015580200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103676700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011278000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015679500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009036800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017882800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010936800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017303700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015618600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017128400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012198900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016577800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016805100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012718700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016285600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009727300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1082415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020573100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014559600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013165100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009987600000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011040100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013630100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006137700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008508600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009520600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006013000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008185600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003641400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004545700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002610900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0565853200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007577000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012795500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009061000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009910400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0336321200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004297200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008729500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004757200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007863000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107116800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010163400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005231600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010974100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004138400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009528500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005499500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009094400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1114229800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006363800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006949500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002182000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007328800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008643600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011092800000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000109500000000, -0.0000072100000000, 0.0000439000000000 ] - [ 0.0017273300000000, -0.0000098800000000, 0.0003550200000000 ] - [ 0.0000121700000000, -0.0000074100000000, -0.0004525500000000 ] - [ -0.0000189800000000, 0.0000114300000000, -0.0002308200000000 ] - [ 0.0000117000000000, -0.0000068300000000, -0.0001094900000000 ] - [ 0.0000116900000000, -0.0000070700000000, -0.0002943500000000 ] - [ 0.0000122300000000, -0.0000071900000000, -0.0005914300000000 ] - [ 0.0000114600000000, -0.0000066700000000, -0.0004638800000000 ] - [ 0.0000129100000000, -0.0000075400000000, -0.0004593100000000 ] - [ 0.0000115700000000, -0.0000068100000000, -0.0002453300000000 ] - [ 0.0603304500000000, -0.0010106100000000, 0.0006251000000000 ] - [ -0.0000188700000000, 0.0000098400000000, -0.0007509800000000 ] - [ 0.0000113500000000, -0.0000068600000000, -0.0002714100000000 ] - [ 0.0000115500000000, -0.0000069200000000, -0.0003713600000000 ] - [ 0.0000116100000000, -0.0000073000000000, -0.0005357900000000 ] - [ 0.0000115300000000, -0.0000066300000000, -0.0007961000000000 ] - [ -0.0000176200000000, 0.0000099300000000, -0.0001630700000000 ] - [ 0.0000145900000000, -0.0000076700000000, -0.0001873000000000 ] - [ 0.0000119800000000, -0.0000074400000000, -0.0003050200000000 ] - [ -0.0000266700000000, -0.0000065700000000, 0.0001920600000000 ] - [ 0.0006495400000000, -0.0000050500000000, -0.0001263900000000 ] - [ 0.0000128700000000, -0.0000078300000000, -0.0000810500000000 ] - [ 0.0000132200000000, -0.0000074300000000, -0.0005801500000000 ] - [ 0.0000130900000000, -0.0000080800000000, -0.0006273800000000 ] - [ 0.0000225200000000, -0.0000067300000000, -0.0003636600000000 ] - [ 0.0000118500000000, -0.0000075000000000, -0.0007841100000000 ] - [ 0.0000129600000000, -0.0000074500000000, -0.0002197400000000 ] - [ 0.0001841800000000, -0.0000052400000000, -0.0000084300000000 ] - [ -0.0000084000000000, 0.0000051400000000, 0.0005966800000000 ] - [ -0.0000085900000000, 0.0000050100000000, 0.0002417400000000 ] - [ -0.0000079400000000, 0.0000055200000000, 0.0003554400000000 ] - [ -0.0000083300000000, 0.0000053600000000, -0.0001439100000000 ] - [ -0.0000085300000000, 0.0000051400000000, 0.0000480300000000 ] - [ 0.0000887600000000, 0.0000036900000000, 0.0005394900000000 ] - [ 0.0000030100000000, -0.0000013700000000, -0.0001828000000000 ] - [ 0.0000083800000000, 0.0000053500000000, 0.0005919100000000 ] - [ -0.0000084200000000, 0.0000050700000000, 0.0000328800000000 ] - [ -0.0000086900000000, 0.0000051600000000, -0.0000309900000000 ] - [ -0.0000076500000000, 0.0000051700000000, 0.0006358300000000 ] - [ -0.0000080300000000, 0.0000049000000000, 0.0005605700000000 ] - [ -0.0000084600000000, 0.0000049800000000, 0.0002630600000000 ] - [ -0.0000089100000000, 0.0000055100000000, 0.0006520200000000 ] - [ -0.0000083500000000, 0.0000054900000000, 0.0001392700000000 ] - [ 0.0000893100000000, 0.0000057800000000, 0.0004804500000000 ] - [ -0.0000083700000000, 0.0000050800000000, 0.0005270000000000 ] - [ 0.0000026200000000, -0.0000009700000000, 0.0003286400000000 ] - [ 0.0026994300000000, -0.0000174800000000, 0.0002228000000000 ] - [ 0.0040941400000000, 0.0000064900000000, 0.0004772600000000 ] - [ 0.0000023400000000, -0.0000015700000000, -0.0000929400000000 ] - [ -0.0000087900000000, 0.0000056600000000, 0.0001080200000000 ] - [ -0.0698982500000000, 0.0010508700000000, -0.0002484600000000 ] - [ -0.0000092300000000, 0.0000055100000000, 0.0003310000000000 ] - [ 0.0000003200000000, 0.0000052700000000, 0.0008637500000000 ] - [ -0.0000089300000000, 0.0000056600000000, 0.0003302600000000 ] - [ -0.0000089700000000, 0.0000051900000000, 0.0002073600000000 ] - [ -0.0000086200000000, 0.0000051200000000, -0.0000313300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010227700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0548725400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011787400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013620700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015261900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015131200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013071300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018356000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013310700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014518200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012751100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008995800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012279300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011400300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016444400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017053600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014613300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012684900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007339000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011283600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016850100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008906500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010254400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017317600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015888300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013517200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017324200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016182700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014385300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111798200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012123100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1092942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018964600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014383700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010341800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0567969100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006093800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008489000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005943700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006228900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008169100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0331777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003224200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005248900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002590400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008612200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007460900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013159700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008948000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006904600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012179000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010124800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005932900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010375200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010824800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005399700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008101100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009345200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005220600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007251100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011918600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1130690200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007139900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010841900000000 ]- atom: 52 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000123900000000, -0.0000071600000000, 0.0000462200000000 ] - [ -0.0000191700000000, 0.0000103900000000, 0.0002675000000000 ] - [ -0.0008539900000000, -0.0000080100000000, -0.0004477900000000 ] - [ -0.0000186000000000, 0.0000114900000000, -0.0002371300000000 ] - [ 0.0000149000000000, -0.0000068400000000, -0.0001050500000000 ] - [ -0.0000481200000000, -0.0000073900000000, -0.0002974500000000 ] - [ 0.0000063100000000, -0.0000070800000000, -0.0005852700000000 ] - [ 0.0000108400000000, -0.0000066600000000, -0.0004656400000000 ] - [ 0.0000126800000000, -0.0000075100000000, -0.0004593600000000 ] - [ 0.0004775400000000, -0.0000090400000000, -0.0002389800000000 ] - [ -0.0000171400000000, 0.0000100900000000, 0.0000224800000000 ] - [ -0.0000191900000000, 0.0000098100000000, -0.0007528800000000 ] - [ 0.0000111100000000, -0.0000067200000000, -0.0002831800000000 ] - [ 0.0606939000000000, 0.0010213400000000, 0.0002285200000000 ] - [ 0.0000115600000000, -0.0000072200000000, -0.0005340800000000 ] - [ 0.0000112600000000, -0.0000065500000000, -0.0007940700000000 ] - [ -0.0000176700000000, 0.0000100400000000, -0.0001584900000000 ] - [ 0.0000125400000000, -0.0000076000000000, -0.0001906100000000 ] - [ 0.0000121600000000, -0.0000073600000000, -0.0003066500000000 ] - [ 0.0000117400000000, -0.0000067600000000, 0.0001859200000000 ] - [ 0.0000111400000000, -0.0000068400000000, -0.0001264000000000 ] - [ 0.0000551900000000, -0.0000078700000000, -0.0000805800000000 ] - [ 0.0000128400000000, -0.0000073900000000, -0.0005772500000000 ] - [ 0.0000128100000000, -0.0000080600000000, -0.0006274400000000 ] - [ 0.0000116800000000, -0.0000068400000000, -0.0003639900000000 ] - [ 0.0000118900000000, -0.0000074100000000, -0.0007810200000000 ] - [ 0.0018599900000000, 0.0000126900000000, -0.0001311900000000 ] - [ 0.0000123300000000, -0.0000078700000000, -0.0000043000000000 ] - [ 0.0003170300000000, 0.0000047100000000, 0.0005963500000000 ] - [ 0.0003169800000000, 0.0000058000000000, 0.0002318100000000 ] - [ -0.0000095800000000, 0.0000055200000000, 0.0003684400000000 ] - [ -0.0000088000000000, 0.0000055700000000, -0.0001838600000000 ] - [ -0.0000083300000000, 0.0000051400000000, 0.0000538500000000 ] - [ -0.0000086100000000, 0.0000049800000000, 0.0005162500000000 ] - [ 0.0000029900000000, -0.0000012900000000, -0.0001796700000000 ] - [ -0.0000090200000000, 0.0000053300000000, 0.0006037100000000 ] - [ -0.0000059700000000, 0.0000049700000000, 0.0000369500000000 ] - [ -0.0000086800000000, 0.0000050300000000, -0.0000234100000000 ] - [ -0.0000085100000000, 0.0000049800000000, 0.0006347600000000 ] - [ -0.0000056200000000, 0.0000047800000000, 0.0005677300000000 ] - [ 0.0039470100000000, 0.0000266400000000, 0.0002867500000000 ] - [ 0.0000182100000000, 0.0000054900000000, 0.0006507400000000 ] - [ -0.0000081800000000, 0.0000053700000000, 0.0001513300000000 ] - [ -0.0000083700000000, 0.0000049000000000, 0.0005108200000000 ] - [ 0.0039467400000000, -0.0000033800000000, 0.0005230500000000 ] - [ 0.0000023900000000, -0.0000009900000000, 0.0003357400000000 ] - [ -0.0000088100000000, 0.0000053000000000, 0.0001952300000000 ] - [ 0.0000021800000000, -0.0000010400000000, 0.0004952600000000 ] - [ 0.0000021000000000, -0.0000015600000000, -0.0001076400000000 ] - [ -0.0000086800000000, 0.0000056400000000, 0.0001015400000000 ] - [ 0.0000027300000000, -0.0000009800000000, 0.0004326800000000 ] - [ -0.0707351000000000, -0.0010542100000000, -0.0003928400000000 ] - [ -0.0000089700000000, 0.0000053000000000, 0.0008740300000000 ] - [ 0.0000176500000000, 0.0000059200000000, 0.0003286400000000 ] - [ -0.0000091000000000, 0.0000051800000000, 0.0002186200000000 ] - [ -0.0000085900000000, 0.0000052200000000, -0.0000286900000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010332100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008089300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012516600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011787300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015079100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015238000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012628300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010024200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012510500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324143900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016167800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018903000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013826400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008504900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011480700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0540790200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010750300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014578500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015295500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017405600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010369200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017071500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016782100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013089700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016779700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110073600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014906900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012388800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016423000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008374400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010557500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1080265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020659000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013957900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011382600000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010999100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013525900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006562300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008446400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009434300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008227600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004615900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006175400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007675200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010787700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0335975600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005193000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008831400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012558500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008919700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010044900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005117400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004132900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006878200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002708000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0568903200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005299300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010094500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004556800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010282600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003984200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005225900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009288500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101654300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007440400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008957700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005906600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009847800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006309000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1117926400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001943400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007231400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008527600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010876700000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0607590300000000, 0.0010223700000000, 0.0006427600000000 ] - [ -0.0000180300000000, 0.0000105200000000, 0.0002655000000000 ] - [ 0.0000121300000000, -0.0000073300000000, -0.0004514800000000 ] - [ -0.0000183300000000, 0.0000114900000000, -0.0002262000000000 ] - [ -0.0000479800000000, -0.0000070900000000, -0.0001126100000000 ] - [ 0.0000114500000000, -0.0000069800000000, -0.0002997500000000 ] - [ 0.0000121200000000, -0.0000071200000000, -0.0005885200000000 ] - [ 0.0000114400000000, -0.0000066000000000, -0.0004668400000000 ] - [ 0.0000127100000000, -0.0000075200000000, -0.0004588900000000 ] - [ 0.0000105500000000, -0.0000068400000000, -0.0002441600000000 ] - [ 0.0000400800000000, 0.0000099600000000, 0.0000287700000000 ] - [ -0.0000190800000000, 0.0000098900000000, -0.0007516500000000 ] - [ 0.0000107500000000, -0.0000068500000000, -0.0002564400000000 ] - [ 0.0000114000000000, -0.0000067800000000, -0.0003761900000000 ] - [ 0.0000117500000000, -0.0000071200000000, -0.0005340200000000 ] - [ 0.0000113100000000, -0.0000065100000000, -0.0008005900000000 ] - [ -0.0000178500000000, 0.0000101600000000, -0.0001651400000000 ] - [ 0.0000121800000000, -0.0000079500000000, -0.0001973600000000 ] - [ -0.0008548900000000, -0.0000080400000000, -0.0003096400000000 ] - [ 0.0018417400000000, 0.0000133500000000, 0.0002973300000000 ] - [ 0.0000120900000000, -0.0000065200000000, -0.0001364300000000 ] - [ 0.0000070200000000, -0.0000078100000000, -0.0000825000000000 ] - [ 0.0000129100000000, -0.0000075500000000, -0.0005724500000000 ] - [ 0.0000129600000000, -0.0000078200000000, -0.0006331300000000 ] - [ 0.0000117700000000, -0.0000069200000000, -0.0003762200000000 ] - [ 0.0000122500000000, -0.0000075600000000, -0.0007834800000000 ] - [ 0.0000123700000000, -0.0000074200000000, -0.0002211300000000 ] - [ 0.0004803400000000, -0.0000100400000000, 0.0000036700000000 ] - [ -0.0000060200000000, 0.0000050000000000, 0.0005996000000000 ] - [ -0.0000084300000000, 0.0000049600000000, 0.0002432700000000 ] - [ -0.0000092600000000, 0.0000055700000000, 0.0003544900000000 ] - [ -0.0000088500000000, 0.0000054500000000, -0.0001558100000000 ] - [ -0.0000082900000000, 0.0000050500000000, 0.0000524200000000 ] - [ 0.0039532400000000, -0.0000030300000000, 0.0005197100000000 ] - [ 0.0000029800000000, -0.0000013000000000, -0.0001779900000000 ] - [ -0.0000091400000000, 0.0000052000000000, 0.0006034800000000 ] - [ -0.0000085400000000, 0.0000053800000000, 0.0000343100000000 ] - [ -0.0000085800000000, 0.0000051700000000, -0.0000229700000000 ] - [ 0.0039523000000000, 0.0000268400000000, 0.0006604400000000 ] - [ 0.0003178500000000, 0.0000058800000000, 0.0005609700000000 ] - [ -0.0000085200000000, 0.0000047900000000, 0.0002568900000000 ] - [ 0.0000180400000000, 0.0000055900000000, 0.0006564700000000 ] - [ -0.0000086800000000, 0.0000053400000000, 0.0001414500000000 ] - [ -0.0000087000000000, 0.0000048400000000, 0.0004931100000000 ] - [ -0.0000084300000000, 0.0000050000000000, 0.0005281900000000 ] - [ 0.0000027800000000, -0.0000008400000000, 0.0003298100000000 ] - [ 0.0003243700000000, 0.0000045200000000, 0.0001973200000000 ] - [ 0.0000042900000000, -0.0000009100000000, 0.0004847400000000 ] - [ 0.0000023500000000, -0.0000015600000000, -0.0000996200000000 ] - [ -0.0000088200000000, 0.0000055600000000, 0.0001113100000000 ] - [ 0.0000121100000000, -0.0000009800000000, 0.0004518300000000 ] - [ -0.0000095200000000, 0.0000049300000000, 0.0003315000000000 ] - [ -0.0707971700000000, -0.0010557500000000, 0.0001530700000000 ] - [ -0.0000093100000000, 0.0000059400000000, 0.0003216400000000 ] - [ -0.0000094600000000, 0.0000048700000000, 0.0002004400000000 ] - [ -0.0000087900000000, 0.0000051100000000, -0.0000232600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0327401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008181600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015218200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012692300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013374500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016662500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015208400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013086800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010414300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018200300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012958000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014194000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015958400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018665400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012340300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012725800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001009900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0546363600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011510500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016288900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017108500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018443700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012655400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013675800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014044800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009626100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011113600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0111255400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016423700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011062500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0113118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016815100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012794000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011955200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015532200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015569000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013765600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013178900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015282700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009813300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011402300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015039700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014559900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1077844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013607900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010082800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0331089700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005639900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004546600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008023400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013887900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004431600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005332800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002500500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006816300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0565328600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008805900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009415000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002712700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006217400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002320100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007916400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010084000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008447900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004358900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014942500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101653400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014164600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010185000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007027400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007468800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003391200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008153200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004335100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009510500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013500800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011240100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008198800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1122546900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009791100000000 ]- atom: 54 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000126200000000, -0.0000072200000000, 0.0000472500000000 ] - [ -0.0000190800000000, 0.0000104400000000, 0.0002730600000000 ] - [ 0.0004783600000000, -0.0000097100000000, -0.0004492400000000 ] - [ -0.0000183300000000, 0.0000115000000000, -0.0002400300000000 ] - [ 0.0000121200000000, -0.0000068000000000, -0.0001067000000000 ] - [ 0.0018536100000000, 0.0000130900000000, -0.0002071800000000 ] - [ 0.0607253700000000, 0.0010218400000000, 0.0000197700000000 ] - [ -0.0000482300000000, -0.0000069700000000, -0.0004645800000000 ] - [ 0.0000124800000000, -0.0000075300000000, -0.0004638300000000 ] - [ 0.0000116900000000, -0.0000067800000000, -0.0002389400000000 ] - [ -0.0000174500000000, 0.0000100900000000, 0.0000169900000000 ] - [ -0.0000187700000000, 0.0000098500000000, -0.0007513200000000 ] - [ 0.0000114400000000, -0.0000067500000000, -0.0002880300000000 ] - [ 0.0000535400000000, -0.0000069900000000, -0.0003700500000000 ] - [ 0.0000116200000000, -0.0000070800000000, -0.0005324300000000 ] - [ 0.0000107400000000, -0.0000064900000000, -0.0007890900000000 ] - [ -0.0000176700000000, 0.0000101100000000, -0.0001578300000000 ] - [ 0.0000124100000000, -0.0000076700000000, -0.0001896500000000 ] - [ 0.0000120400000000, -0.0000073900000000, -0.0003082600000000 ] - [ 0.0000118400000000, -0.0000067400000000, 0.0001880100000000 ] - [ 0.0000117600000000, -0.0000067600000000, -0.0001146900000000 ] - [ 0.0000130300000000, -0.0000078200000000, -0.0000801500000000 ] - [ 0.0000127200000000, -0.0000073400000000, -0.0005809600000000 ] - [ 0.0000072500000000, -0.0000080500000000, -0.0006221600000000 ] - [ 0.0000120800000000, -0.0000068400000000, -0.0003697000000000 ] - [ -0.0008537700000000, -0.0000080100000000, -0.0007839100000000 ] - [ 0.0000161000000000, -0.0000074800000000, -0.0002239400000000 ] - [ 0.0000124300000000, -0.0000077800000000, -0.0000072800000000 ] - [ -0.0000083800000000, 0.0000050500000000, 0.0005992600000000 ] - [ 0.0039480400000000, -0.0000034600000000, 0.0002273700000000 ] - [ -0.0000093000000000, 0.0000055800000000, 0.0003545400000000 ] - [ -0.0000088700000000, 0.0000055300000000, -0.0001543400000000 ] - [ 0.0003176600000000, 0.0000060400000000, 0.0000501000000000 ] - [ -0.0000087500000000, 0.0000050700000000, 0.0005234700000000 ] - [ 0.0000031300000000, -0.0000012200000000, -0.0001760200000000 ] - [ -0.0000091500000000, 0.0000052100000000, 0.0006046400000000 ] - [ 0.0039489100000000, 0.0000267400000000, 0.0000590900000000 ] - [ -0.0000059500000000, 0.0000050000000000, -0.0000265600000000 ] - [ -0.0000088100000000, 0.0000051300000000, 0.0006333900000000 ] - [ -0.0000081500000000, 0.0000047800000000, 0.0005682700000000 ] - [ 0.0003171700000000, 0.0000045200000000, 0.0002634700000000 ] - [ -0.0000088200000000, 0.0000055300000000, 0.0006494600000000 ] - [ -0.0000081300000000, 0.0000052500000000, 0.0001491000000000 ] - [ -0.0000085300000000, 0.0000047700000000, 0.0004909400000000 ] - [ -0.0000057300000000, 0.0000049800000000, 0.0005261400000000 ] - [ 0.0000025700000000, -0.0000008800000000, 0.0003335500000000 ] - [ -0.0000088500000000, 0.0000050900000000, 0.0002065800000000 ] - [ 0.0000023800000000, -0.0000009700000000, 0.0004866500000000 ] - [ 0.0000022700000000, -0.0000015000000000, -0.0000982600000000 ] - [ -0.0000086900000000, 0.0000056600000000, 0.0001072500000000 ] - [ 0.0000030100000000, -0.0000008800000000, 0.0004482000000000 ] - [ 0.0000174800000000, 0.0000051400000000, 0.0003083400000000 ] - [ -0.0000088300000000, 0.0000053700000000, 0.0008663600000000 ] - [ -0.0707694000000000, -0.0010545200000000, -0.0003869000000000 ] - [ 0.0000180600000000, 0.0000050200000000, 0.0002055700000000 ] - [ -0.0000083100000000, 0.0000052400000000, -0.0000247600000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010256700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008093500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014898700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012736100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0540507500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0321443000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015881200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018254900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013035100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014459400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015977000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018683700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012672300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013773500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008492000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011413000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005665300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010594700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107313500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014152900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009149500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015951200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008813300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010301400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017173500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015959800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013671500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017300700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012133100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015568800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015856900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009483900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014409000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019234100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1081783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012657300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010349100000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010935000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005702500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008476500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009365100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0570719400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0338208500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006216900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008001200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010859900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003264100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008024300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007166600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005220200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008527400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007404500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008946600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009793400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006853000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009851800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008680700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010939100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004735500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006938000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012043100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010654400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004509500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104773100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003995200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008772100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009274600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005679400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005351200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007386100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008915800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005796000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011550600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009903100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006497100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006741400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1117500700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008560800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010793200000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000124800000000, -0.0000071700000000, 0.0000433900000000 ] - [ -0.0000190500000000, 0.0000104200000000, 0.0002663000000000 ] - [ 0.0000125200000000, -0.0000073600000000, -0.0004497700000000 ] - [ -0.0000185200000000, 0.0000114900000000, -0.0002341400000000 ] - [ 0.0000120400000000, -0.0000067900000000, -0.0001091200000000 ] - [ 0.0000149500000000, -0.0000070900000000, -0.0002973900000000 ] - [ 0.0000545900000000, -0.0000071500000000, -0.0005887200000000 ] - [ 0.0018517400000000, 0.0000135700000000, -0.0003768000000000 ] - [ -0.0000466600000000, -0.0000078700000000, -0.0004613000000000 ] - [ 0.0000114200000000, -0.0000068100000000, -0.0002433400000000 ] - [ -0.0000169300000000, 0.0000101100000000, 0.0000268300000000 ] - [ -0.0000190400000000, 0.0000098700000000, -0.0007503100000000 ] - [ 0.0000110900000000, -0.0000067900000000, -0.0002699100000000 ] - [ 0.0000115700000000, -0.0000068500000000, -0.0003737300000000 ] - [ 0.0000059300000000, -0.0000072100000000, -0.0005333100000000 ] - [ -0.0008550100000000, -0.0000071500000000, -0.0007947000000000 ] - [ -0.0000175900000000, 0.0000100500000000, -0.0001607500000000 ] - [ 0.0000126800000000, -0.0000077100000000, -0.0001938700000000 ] - [ 0.0000120600000000, -0.0000074100000000, -0.0003087300000000 ] - [ 0.0000119200000000, -0.0000068000000000, 0.0001952200000000 ] - [ 0.0000119700000000, -0.0000067600000000, -0.0001283900000000 ] - [ 0.0000132100000000, -0.0000078200000000, -0.0000817000000000 ] - [ 0.0000127900000000, -0.0000074400000000, -0.0005734100000000 ] - [ 0.0607234500000000, 0.0010208900000000, -0.0000286300000000 ] - [ 0.0000119600000000, -0.0000068000000000, -0.0003717200000000 ] - [ 0.0004791500000000, -0.0000097300000000, -0.0007837300000000 ] - [ 0.0000131400000000, -0.0000074300000000, -0.0002185500000000 ] - [ 0.0000123800000000, -0.0000078700000000, 0.0000008300000000 ] - [ -0.0000085000000000, 0.0000050100000000, 0.0005973000000000 ] - [ -0.0000057100000000, 0.0000049900000000, 0.0002333800000000 ] - [ -0.0000090900000000, 0.0000054000000000, 0.0003545300000000 ] - [ -0.0000087700000000, 0.0000053000000000, -0.0001594500000000 ] - [ 0.0039498400000000, -0.0000032700000000, 0.0000481500000000 ] - [ -0.0000086800000000, 0.0000051200000000, 0.0005268800000000 ] - [ 0.0000053400000000, -0.0000013200000000, -0.0001798600000000 ] - [ -0.0000089400000000, 0.0000050900000000, 0.0006020300000000 ] - [ 0.0003175700000000, 0.0000049000000000, 0.0000354000000000 ] - [ 0.0039503200000000, 0.0000268300000000, -0.0000050400000000 ] - [ -0.0000087400000000, 0.0000052100000000, 0.0006365800000000 ] - [ -0.0000081700000000, 0.0000048200000000, 0.0005680400000000 ] - [ -0.0000083300000000, 0.0000048400000000, 0.0002664000000000 ] - [ -0.0000087300000000, 0.0000054400000000, 0.0006534200000000 ] - [ 0.0000189900000000, 0.0000054100000000, 0.0001427900000000 ] - [ -0.0000082700000000, 0.0000048900000000, 0.0004944000000000 ] - [ -0.0000082200000000, 0.0000050000000000, 0.0005273400000000 ] - [ 0.0000024600000000, -0.0000008800000000, 0.0003295500000000 ] - [ -0.0000087600000000, 0.0000051100000000, 0.0001998800000000 ] - [ 0.0000021800000000, -0.0000009300000000, 0.0004869600000000 ] - [ 0.0000023700000000, -0.0000014600000000, -0.0000957600000000 ] - [ -0.0000085300000000, 0.0000056500000000, 0.0001049400000000 ] - [ 0.0000028100000000, -0.0000009200000000, 0.0004464200000000 ] - [ -0.0000092400000000, 0.0000052000000000, 0.0003140600000000 ] - [ -0.0000088100000000, 0.0000054000000000, 0.0008629600000000 ] - [ 0.0000180900000000, 0.0000057200000000, 0.0003290200000000 ] - [ -0.0707724900000000, -0.0010551600000000, -0.0004963500000000 ] - [ 0.0003177700000000, 0.0000062100000000, -0.0000245000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012717500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011799100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013492700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0538706400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015654000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013127500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010257700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018230100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013053100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014255700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016083100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005926900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012691700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008519300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012263800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011411100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0320997800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014405400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018184100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012578200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010510700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016456200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013194800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014155200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015864600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008790500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011529000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106339900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017161600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015874700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013060600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017340700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012124400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015562300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012550000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015598400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009427100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011667700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014004600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1082815400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010982600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013461800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008554300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009367800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004747600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0572675200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006684000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010973000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006928500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008810100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008468900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012641400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008883500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009755300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0338534700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006848600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008573300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010946200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004628300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007946300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007098300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106417900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012611300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004487400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105371100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005188900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008148000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003829700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005377800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007513000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008946900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006011500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011384200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006258200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006813000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007269700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1116974100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011526300000000 ]- atom: 56 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000124900000000, -0.0000072100000000, 0.0000436700000000 ] - [ -0.0000191000000000, 0.0000104100000000, 0.0002653900000000 ] - [ 0.0000123300000000, -0.0000073700000000, -0.0004489400000000 ] - [ -0.0000236700000000, 0.0000114300000000, -0.0002321300000000 ] - [ 0.0000115100000000, -0.0000068300000000, -0.0001058200000000 ] - [ 0.0000115800000000, -0.0000070600000000, -0.0002978400000000 ] - [ 0.0000125800000000, -0.0000070700000000, -0.0005869000000000 ] - [ 0.0000536000000000, -0.0000067100000000, -0.0004672900000000 ] - [ 0.0607946900000000, 0.0010225800000000, 0.0001439300000000 ] - [ 0.0000114200000000, -0.0000068100000000, -0.0002390200000000 ] - [ -0.0000173200000000, 0.0000100700000000, 0.0000283200000000 ] - [ -0.0000266600000000, 0.0000099300000000, -0.0007523700000000 ] - [ 0.0000110100000000, -0.0000067900000000, -0.0002735700000000 ] - [ 0.0000116200000000, -0.0000069200000000, -0.0003736400000000 ] - [ -0.0008522300000000, -0.0000077900000000, -0.0005355800000000 ] - [ 0.0018452800000000, 0.0000136300000000, -0.0007055900000000 ] - [ -0.0000179800000000, 0.0000100100000000, -0.0001604200000000 ] - [ 0.0000124700000000, -0.0000077200000000, -0.0001938400000000 ] - [ 0.0000120700000000, -0.0000074300000000, -0.0003068200000000 ] - [ 0.0000116400000000, -0.0000067900000000, 0.0001917200000000 ] - [ 0.0000115400000000, -0.0000067600000000, -0.0001337600000000 ] - [ 0.0000129900000000, -0.0000078100000000, -0.0000803400000000 ] - [ 0.0000122100000000, -0.0000074800000000, -0.0005731400000000 ] - [ 0.0004801900000000, -0.0000102500000000, -0.0006298200000000 ] - [ 0.0000117600000000, -0.0000068200000000, -0.0003654100000000 ] - [ 0.0000157500000000, -0.0000074800000000, -0.0007813900000000 ] - [ 0.0000128400000000, -0.0000074600000000, -0.0002204400000000 ] - [ 0.0000121900000000, -0.0000078800000000, -0.0000004200000000 ] - [ -0.0000086400000000, 0.0000051000000000, 0.0006004800000000 ] - [ -0.0000086300000000, 0.0000049100000000, 0.0002330000000000 ] - [ -0.0000091800000000, 0.0000054600000000, 0.0003626700000000 ] - [ -0.0000086700000000, 0.0000055500000000, -0.0001742200000000 ] - [ 0.0000187300000000, 0.0000050700000000, 0.0000501900000000 ] - [ -0.0000087900000000, 0.0000051300000000, 0.0005171700000000 ] - [ 0.0002872000000000, -0.0000006000000000, -0.0001789900000000 ] - [ -0.0000090400000000, 0.0000053200000000, 0.0006038100000000 ] - [ -0.0000059400000000, 0.0000050100000000, 0.0000361800000000 ] - [ 0.0039522700000000, -0.0000032100000000, -0.0000262300000000 ] - [ -0.0000086400000000, 0.0000051000000000, 0.0006351100000000 ] - [ -0.0000084000000000, 0.0000048100000000, 0.0005674100000000 ] - [ -0.0000086000000000, 0.0000050500000000, 0.0002659700000000 ] - [ -0.0000088900000000, 0.0000055300000000, 0.0006506400000000 ] - [ 0.0039440100000000, 0.0000268900000000, 0.0001664400000000 ] - [ -0.0000082700000000, 0.0000050100000000, 0.0005039900000000 ] - [ -0.0000084100000000, 0.0000049600000000, 0.0005247600000000 ] - [ 0.0000040800000000, -0.0000010200000000, 0.0003320100000000 ] - [ -0.0000087200000000, 0.0000052400000000, 0.0001962300000000 ] - [ 0.0000022800000000, -0.0000010400000000, 0.0004910200000000 ] - [ 0.0000194300000000, -0.0000015400000000, -0.0001036700000000 ] - [ -0.0000085700000000, 0.0000056400000000, 0.0001040800000000 ] - [ 0.0000028000000000, -0.0000010700000000, 0.0004387600000000 ] - [ -0.0000095500000000, 0.0000054600000000, 0.0003162800000000 ] - [ -0.0000088800000000, 0.0000053600000000, 0.0008713200000000 ] - [ -0.0000090600000000, 0.0000057800000000, 0.0003282200000000 ] - [ 0.0003169700000000, 0.0000047800000000, 0.0002113500000000 ] - [ -0.0708297200000000, -0.0010562800000000, -0.0007325400000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0010172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013062700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011746200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013495200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0322510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012997600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014474000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003272200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0536164100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012248600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013903800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016268000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016812000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014539700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018445400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010652300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016027300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011177400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015678300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009392800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016644200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010805600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104446600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017203800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015337600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017536500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0108438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015757600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012562200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015719700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014546000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013937200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019694200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013244900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1084857500000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0010882100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013438100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008556100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007703900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004540800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006115700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0336221200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003722800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008178200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006905200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007195800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0576743000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012670300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009752200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005212400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003807700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002781500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010930100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008068700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012189100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010038300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005284000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004411600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0107159600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003780400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103850900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005730400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011484400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009895600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006907300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001772300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009146200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1114644100000000 ]