# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7d85fcf3-7e2e-4257-9549-1fa47bef4f0f/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 CdI2 / P3m1 (156) / materials id 569666](https://mdr.nims.go.jp/datasets/31f130f3-1330-43c4-aa58-2277fccd814d) ## 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: - [ 4.221810630000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110905320000000, 3.656195260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 116.421431530000007 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.485337240000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.720565860000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.367648360000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.661751660000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.955863650000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.838238850000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.544153500000000 ] mass: 112.411000 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.897057000000000 ] mass: 112.411000 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.308813280000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.249983380000000 ] mass: 112.411000 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.132344030000000 ] mass: 112.411000 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.014689380000000 ] mass: 112.411000 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.602949030000000 ] mass: 112.411000 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.073520190000000 ] mass: 112.411000 - symbol: Cd # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.426488870000000 ] mass: 112.411000 - symbol: Cd # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.779411090000000 ] mass: 112.411000 - symbol: Cd # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.191163900000000 ] mass: 112.411000 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.323461850000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.441137790000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.558800150000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.941222560000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.294169680000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.882414160000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.146990420000000 ] mass: 126.904470 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.176519910000000 ] mass: 126.904470 - symbol: I # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.647107670000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.235339630000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.970510760000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.205811580000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.470695090000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.676397120000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.117700430000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.382296640000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.411844070000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.058876350000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.852882610000000 ] mass: 126.904470 - symbol: I # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.029337090000000 ] mass: 126.904470 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000046770000000 ] mass: 126.904470 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.529510550000000 ] mass: 126.904470 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.353005160000000 ] mass: 126.904470 - symbol: I # 41 coordinates: [ 0.666666670000000, 0.333333330000000, 0.617595190000000 ] mass: 126.904470 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705924690000000 ] mass: 126.904470 - symbol: I # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.911700470000000 ] mass: 126.904470 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.088167350000000 ] mass: 126.904470 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.794058610000000 ] mass: 126.904470 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.823593850000000 ] mass: 126.904470 - symbol: I # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.588307070000000 ] mass: 126.904470 - symbol: I # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.764768470000000 ] mass: 126.904470 - symbol: I # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.735211720000000 ] mass: 126.904470 - symbol: I # 50 coordinates: [ 0.666666670000000, 0.333333330000000, 0.264631010000000 ] mass: 126.904470 - symbol: I # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.499984260000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236865195443406, 0.136754184508277, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273508368368707, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.008589483799143 ] # c*unit_cell: lattice: - [ 4.221810630000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110905320000000, 3.656195260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 116.421431530000007 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.485337240000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.720565860000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.367648360000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.661751660000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.955863650000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.838238850000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.544153500000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.897057000000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.308813280000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.249983380000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.132344030000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.014689380000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.602949030000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.073520190000000 ] mass: 112.411000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.426488870000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.779411090000000 ] mass: 112.411000 reduced_to: 16 - symbol: Cd # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.191163900000000 ] mass: 112.411000 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.323461850000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.441137790000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.558800150000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.941222560000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.294169680000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.882414160000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.146990420000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.176519910000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.647107670000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.235339630000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.970510760000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.205811580000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.470695090000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.676397120000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.117700430000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.382296640000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.411844070000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.058876350000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.852882610000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.029337090000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000046770000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.529510550000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.353005160000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.666666670000000, 0.333333330000000, 0.617595190000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705924690000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.911700470000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.088167350000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.794058610000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.823593850000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.588307070000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.764768470000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.735211720000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.666666670000000, 0.333333330000000, 0.264631010000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.499984260000000 ] mass: 126.904470 reduced_to: 51supercell: lattice: - [ 4.221810630000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110905320000000, 3.656195260000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 116.421431530000007 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.485337240000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.720565860000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.367648360000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.661751660000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.955863650000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.838238850000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.544153500000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.897057000000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.308813280000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.249983380000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.132344030000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.014689380000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.602949030000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.073520190000000 ] mass: 112.411000 reduced_to: 14 - symbol: Cd # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.426488870000000 ] mass: 112.411000 reduced_to: 15 - symbol: Cd # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.779411090000000 ] mass: 112.411000 reduced_to: 16 - symbol: Cd # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.191163900000000 ] mass: 112.411000 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.323461850000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.666666670000000, 0.333333330000000, 0.441137790000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.558800150000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.941222560000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.294169680000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.882414160000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.146990420000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.176519910000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.647107670000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.333333330000000, 0.666666670000000, 0.235339630000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.970510760000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.205811580000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.470695090000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.676397120000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.117700430000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.666666670000000, 0.333333330000000, 0.382296640000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.411844070000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.058876350000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.852882610000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.666666670000000, 0.333333330000000, 0.029337090000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000046770000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.529510550000000 ] mass: 126.904470 reduced_to: 39 - symbol: I # 40 coordinates: [ 0.333333330000000, 0.666666670000000, 0.353005160000000 ] mass: 126.904470 reduced_to: 40 - symbol: I # 41 coordinates: [ 0.666666670000000, 0.333333330000000, 0.617595190000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705924690000000 ] mass: 126.904470 reduced_to: 42 - symbol: I # 43 coordinates: [ 0.666666670000000, 0.333333330000000, 0.911700470000000 ] mass: 126.904470 reduced_to: 43 - symbol: I # 44 coordinates: [ 0.666666670000000, 0.333333330000000, 0.088167350000000 ] mass: 126.904470 reduced_to: 44 - symbol: I # 45 coordinates: [ 0.666666670000000, 0.333333330000000, 0.794058610000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.000000000000000, 0.000000000000000, 0.823593850000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.333333330000000, 0.666666670000000, 0.588307070000000 ] mass: 126.904470 reduced_to: 47 - symbol: I # 48 coordinates: [ 0.000000000000000, 0.000000000000000, 0.764768470000000 ] mass: 126.904470 reduced_to: 48 - symbol: I # 49 coordinates: [ 0.666666670000000, 0.333333330000000, 0.735211720000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.666666670000000, 0.333333330000000, 0.264631010000000 ] mass: 126.904470 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.666666670000000, 0.333333330000000, 0.499984260000000 ] mass: 126.904470 reduced_to: 51displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0214448900000000, 0.0000005400000000, -0.0000023600000000 ] - [ -0.0000024700000000, -0.0000004200000000, 0.0001742800000000 ] - [ -0.0000006000000000, 0.0000000500000000, 0.0000949500000000 ] - [ -0.0000012900000000, -0.0000003000000000, -0.0000950800000000 ] - [ -0.0000011800000000, -0.0000005000000000, -0.0001067800000000 ] - [ -0.0000037700000000, 0.0000005400000000, -0.0005157300000000 ] - [ 0.0000343900000000, -0.0000001000000000, -0.0001089200000000 ] - [ 0.0000001500000000, -0.0000003800000000, 0.0000909300000000 ] - [ -0.0000013700000000, -0.0000004300000000, 0.0002305800000000 ] - [ -0.0000025900000000, 0.0000000600000000, -0.0002165800000000 ] - [ -0.0000007700000000, 0.0000000900000000, -0.0009848300000000 ] - [ 0.0000002700000000, 0.0000001000000000, -0.0004805300000000 ] - [ -0.0000004700000000, 0.0000000000000000, -0.0000987100000000 ] - [ 0.0000001400000000, -0.0000004200000000, -0.0005350300000000 ] - [ 0.0000342500000000, -0.0000002900000000, -0.0000805600000000 ] - [ -0.0000000600000000, -0.0000005100000000, 0.0000969700000000 ] - [ -0.0000001000000000, -0.0000004300000000, -0.0003708300000000 ] - [ -0.0000002500000000, -0.0000000200000000, -0.0003383700000000 ] - [ -0.0001869500000000, -0.0000000600000000, -0.0004844700000000 ] - [ 0.0000212000000000, 0.0000000100000000, -0.0000149800000000 ] - [ -0.0000014700000000, 0.0000000400000000, 0.0004060900000000 ] - [ -0.0000025600000000, 0.0000002500000000, 0.0000383100000000 ] - [ -0.0000011000000000, 0.0000001300000000, 0.0000740300000000 ] - [ -0.0000006400000000, 0.0000001600000000, 0.0004412400000000 ] - [ -0.0000010700000000, 0.0000002200000000, 0.0003182500000000 ] - [ -0.0000012200000000, 0.0000004100000000, 0.0003275700000000 ] - [ -0.0000013900000000, 0.0000000700000000, 0.0002136800000000 ] - [ -0.0000009300000000, 0.0000000200000000, 0.0000722900000000 ] - [ -0.0000007200000000, 0.0000000200000000, -0.0002777600000000 ] - [ 0.0109656800000000, -0.0002045200000000, -0.0010138800000000 ] - [ -0.0000015800000000, -0.0000000400000000, -0.0002051000000000 ] - [ -0.0000015200000000, 0.0000001100000000, -0.0000930300000000 ] - [ -0.0000031200000000, 0.0000001800000000, 0.0002370900000000 ] - [ -0.0000326800000000, 0.0000003200000000, 0.0006159900000000 ] - [ -0.0000040200000000, 0.0000001900000000, -0.0000716200000000 ] - [ -0.0000017700000000, 0.0000000200000000, 0.0007835900000000 ] - [ -0.0000004900000000, 0.0000002200000000, 0.0001944200000000 ] - [ -0.0000007500000000, 0.0000000800000000, -0.0001321900000000 ] - [ -0.0000759700000000, -0.0000004300000000, 0.0000479500000000 ] - [ -0.0000007200000000, 0.0000000400000000, -0.0002619400000000 ] - [ -0.0000010600000000, 0.0000001300000000, 0.0000778000000000 ] - [ -0.0000012500000000, 0.0000002600000000, 0.0001942200000000 ] - [ -0.0000006900000000, 0.0000000900000000, 0.0000727400000000 ] - [ -0.0000012000000000, 0.0000000200000000, -0.0000476400000000 ] - [ -0.0000014200000000, -0.0000002100000000, 0.0001974600000000 ] - [ -0.0000005300000000, -0.0000000200000000, 0.0002132000000000 ] - [ -0.0000025400000000, -0.0000000100000000, 0.0003677500000000 ] - [ -0.0000034700000000, 0.0000002200000000, 0.0004008100000000 ] - [ -0.0000016100000000, -0.0000000700000000, 0.0000171800000000 ] - [ -0.0000025900000000, 0.0000001700000000, 0.0001501500000000 ] - [ 0.0107407500000000, 0.0002044000000000, 0.0003873800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0611953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007660500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006879100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004973000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004809500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005310200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006797600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008202800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003927300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001149700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004937400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006894800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006336200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003198700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002178100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001466200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000293800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000377300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000765700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002213200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0293973400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003825000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000578600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003060300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003627800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004925600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000668100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005510700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002162900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003441900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000935500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000808600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000769100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001062400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002775000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001455400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304653200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0610890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006854300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007464000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004958000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003569400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006881800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007183900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004939400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000392100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004221600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007017500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003287700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007393900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005038700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003701100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000215700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0311455700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000970600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001964200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005364200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009251900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002194600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001559100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000266400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003781700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003712700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006938900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003182400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004497200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299609500000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000017300000000, 0.0000006600000000, 0.0000219400000000 ] - [ -0.0215525800000000, -0.0000298100000000, 0.0001601300000000 ] - [ -0.0000012800000000, 0.0000006300000000, 0.0000946600000000 ] - [ 0.0000971400000000, 0.0000004200000000, -0.0000955800000000 ] - [ -0.0000002200000000, 0.0000000900000000, -0.0001070500000000 ] - [ -0.0000027600000000, 0.0000011300000000, -0.0005159100000000 ] - [ 0.0000014800000000, 0.0000001900000000, -0.0001092800000000 ] - [ 0.0000013800000000, 0.0000002000000000, 0.0000907300000000 ] - [ 0.0000029500000000, 0.0000001700000000, 0.0002302400000000 ] - [ -0.0000004600000000, 0.0000006400000000, -0.0002168800000000 ] - [ 0.0000009500000000, 0.0000006600000000, -0.0009851000000000 ] - [ 0.0000008000000000, 0.0000006800000000, -0.0004807700000000 ] - [ -0.0000019600000000, 0.0000005700000000, -0.0000989800000000 ] - [ 0.0000016600000000, 0.0000001500000000, -0.0005352500000000 ] - [ 0.0000022100000000, 0.0000001900000000, -0.0000807300000000 ] - [ 0.0000962200000000, -0.0000000500000000, 0.0000968800000000 ] - [ 0.0000029800000000, 0.0000001500000000, -0.0003711000000000 ] - [ 0.0000004600000000, 0.0000005600000000, -0.0003385200000000 ] - [ 0.0000009600000000, 0.0000005900000000, -0.0004841200000000 ] - [ 0.0000026000000000, 0.0000005600000000, -0.0000133700000000 ] - [ -0.0000009400000000, 0.0000006300000000, 0.0004058000000000 ] - [ 0.0000006800000000, 0.0000008200000000, 0.0000380200000000 ] - [ 0.0000016800000000, 0.0000005200000000, 0.0000743400000000 ] - [ 0.0000006400000000, 0.0000007300000000, 0.0004410500000000 ] - [ 0.0000012200000000, 0.0000008000000000, 0.0003179600000000 ] - [ 0.0000065000000000, 0.0000010500000000, 0.0003270800000000 ] - [ -0.0000019400000000, 0.0000006500000000, 0.0002133900000000 ] - [ 0.0000001600000000, 0.0000006100000000, 0.0000720600000000 ] - [ 0.0000007500000000, 0.0000006000000000, -0.0002779400000000 ] - [ 0.0000016800000000, 0.0000006000000000, -0.0007668500000000 ] - [ -0.0002749100000000, 0.0000003500000000, -0.0002054300000000 ] - [ 0.0000010200000000, 0.0000006900000000, -0.0000933200000000 ] - [ 0.0000009900000000, 0.0000007600000000, 0.0002369400000000 ] - [ 0.0000000900000000, 0.0000008300000000, 0.0006157100000000 ] - [ 0.0000010400000000, 0.0000007800000000, -0.0000718900000000 ] - [ 0.0000006300000000, 0.0000005900000000, 0.0007834200000000 ] - [ 0.0000000400000000, 0.0000008000000000, 0.0001941900000000 ] - [ -0.0000013100000000, 0.0000006700000000, -0.0001324800000000 ] - [ -0.0000000800000000, 0.0000008800000000, 0.0000474000000000 ] - [ 0.0000001700000000, 0.0000006200000000, -0.0002622400000000 ] - [ -0.0000009300000000, 0.0000007100000000, 0.0000777200000000 ] - [ 0.0109525900000000, 0.0002052200000000, -0.0000539400000000 ] - [ 0.0000002100000000, 0.0000006700000000, 0.0000725200000000 ] - [ 0.0000000700000000, 0.0000006000000000, -0.0000478400000000 ] - [ 0.0000065600000000, 0.0000003200000000, 0.0001973600000000 ] - [ -0.0000005600000000, 0.0000005500000000, 0.0002128600000000 ] - [ 0.0000010100000000, 0.0000005700000000, 0.0003673200000000 ] - [ -0.0002724700000000, 0.0000009700000000, 0.0004005900000000 ] - [ 0.0109243300000000, -0.0002034500000000, 0.0002644800000000 ] - [ 0.0000011600000000, 0.0000007500000000, 0.0001500100000000 ] - [ -0.0000008800000000, 0.0000007500000000, 0.0001397700000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0609043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006830400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005555600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006820700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003963500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001084900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004917900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007550100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002219900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007838000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003102900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002185000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001407700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000210600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000826300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002282400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010591700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000620200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003633100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001066400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004254900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002477100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005547100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303651100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003482500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001093400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000842700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000727800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003249100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303909900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001483100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001598500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005672600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0612218700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004942700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007478900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011062100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007003500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004994900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003640900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008054900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015743900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006907100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011259700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005618200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009643800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000394000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007386400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006322500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005123500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003692800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004731200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002227200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010783500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004921100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001636200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003426900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000323900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301950100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003704300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005034700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004721100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301418600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004386400000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003300000000, 0.0000002100000000, 0.0000228900000000 ] - [ -0.0000018000000000, -0.0000003900000000, 0.0001734800000000 ] - [ -0.0214398100000000, 0.0000007300000000, 0.0000770000000000 ] - [ 0.0000001600000000, -0.0000002800000000, -0.0000957600000000 ] - [ 0.0000004300000000, -0.0000004700000000, -0.0001061300000000 ] - [ -0.0000026000000000, 0.0000005400000000, -0.0005181100000000 ] - [ -0.0000009300000000, -0.0000002900000000, -0.0001084600000000 ] - [ -0.0000010100000000, -0.0000003700000000, 0.0000887100000000 ] - [ 0.0000346700000000, -0.0000003700000000, 0.0002312900000000 ] - [ -0.0000003000000000, 0.0000000500000000, -0.0002157500000000 ] - [ -0.0000025400000000, 0.0000000900000000, -0.0009838900000000 ] - [ -0.0000003700000000, 0.0000001100000000, -0.0004797700000000 ] - [ -0.0000023900000000, -0.0000000100000000, -0.0000979300000000 ] - [ 0.0000000800000000, -0.0000004600000000, -0.0005343900000000 ] - [ 0.0000344200000000, -0.0000000800000000, -0.0000797000000000 ] - [ 0.0000004900000000, -0.0000005400000000, 0.0000964600000000 ] - [ -0.0000010200000000, -0.0000004100000000, -0.0003702400000000 ] - [ -0.0001875200000000, -0.0000000700000000, -0.0003385100000000 ] - [ 0.0000213700000000, 0.0000000500000000, -0.0004836600000000 ] - [ -0.0000012800000000, -0.0000000200000000, -0.0000145600000000 ] - [ -0.0000038300000000, 0.0000000500000000, 0.0004034600000000 ] - [ -0.0000324700000000, 0.0000003100000000, 0.0000377500000000 ] - [ -0.0000038200000000, 0.0000001500000000, 0.0000712300000000 ] - [ -0.0000022700000000, 0.0000001600000000, 0.0004422200000000 ] - [ -0.0000023200000000, 0.0000002000000000, 0.0003173600000000 ] - [ -0.0000031000000000, 0.0000004200000000, 0.0003275000000000 ] - [ -0.0000004800000000, 0.0000000900000000, 0.0002129200000000 ] - [ -0.0000009600000000, 0.0000000300000000, 0.0000742700000000 ] - [ 0.0000010600000000, -0.0000005500000000, -0.0002782100000000 ] - [ -0.0000023000000000, 0.0000000300000000, -0.0007668100000000 ] - [ -0.0000010900000000, -0.0000000600000000, -0.0002052100000000 ] - [ -0.0000011700000000, 0.0000001200000000, -0.0000941700000000 ] - [ 0.0107338600000000, 0.0002043100000000, 0.0004848200000000 ] - [ -0.0000755800000000, -0.0000004800000000, 0.0006158900000000 ] - [ -0.0000008100000000, 0.0000002000000000, -0.0000730500000000 ] - [ -0.0000009900000000, 0.0000000300000000, 0.0007840600000000 ] - [ -0.0000004200000000, 0.0000002500000000, 0.0001958800000000 ] - [ -0.0000011600000000, 0.0000000700000000, -0.0001337400000000 ] - [ -0.0000009800000000, 0.0000003000000000, 0.0000474000000000 ] - [ 0.0109606200000000, -0.0002044200000000, -0.0005096600000000 ] - [ -0.0000016000000000, 0.0000001300000000, 0.0000786600000000 ] - [ -0.0000005300000000, 0.0000002800000000, 0.0001926100000000 ] - [ 0.0000001400000000, 0.0000000900000000, 0.0000747100000000 ] - [ -0.0000004300000000, 0.0000000200000000, -0.0000463300000000 ] - [ -0.0000005800000000, -0.0000002200000000, 0.0001967800000000 ] - [ -0.0000008000000000, -0.0000000200000000, 0.0002110200000000 ] - [ -0.0000019200000000, 0.0000000000000000, 0.0003671900000000 ] - [ -0.0000007800000000, 0.0000002500000000, 0.0003997400000000 ] - [ -0.0000014400000000, -0.0000000600000000, 0.0000177700000000 ] - [ -0.0000028300000000, 0.0000001600000000, 0.0001507500000000 ] - [ -0.0000007300000000, 0.0000001600000000, 0.0001402200000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006137000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610276800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004958700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004803200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000718800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006774200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008690400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003962800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000529200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006877900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003926500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007920600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001115700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002729700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002222300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001425000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000356000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000761700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002268100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005758800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010574300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005021900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003834500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305611000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006342300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002426200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298959800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002199600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002228000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003464200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000856300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000767700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002797500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001471700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001573900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005696000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611196100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006931300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011009900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006959800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004941700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004075000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015729500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010688300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006872200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011223300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007182300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004923000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002801300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001761100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002840600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003524800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007379500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003686600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000152300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004729700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298693300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004894400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001619700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003400000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306330000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004904300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002489300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004907600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005139200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006966600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004463400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004367700000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000006700000000, 0.0000005200000000, 0.0000212100000000 ] - [ 0.0000971000000000, -0.0000001300000000, 0.0001734400000000 ] - [ 0.0000006200000000, 0.0000004900000000, 0.0000939100000000 ] - [ -0.0215545700000000, -0.0000217200000000, -0.0000731100000000 ] - [ 0.0000024700000000, -0.0000000700000000, -0.0001077400000000 ] - [ -0.0000014400000000, 0.0000009700000000, -0.0005167000000000 ] - [ 0.0000016400000000, 0.0000000300000000, -0.0001099700000000 ] - [ -0.0000002400000000, 0.0000000500000000, 0.0000899400000000 ] - [ 0.0000018800000000, 0.0000000200000000, 0.0002295600000000 ] - [ 0.0000009300000000, 0.0000004900000000, -0.0002176100000000 ] - [ -0.0000004700000000, 0.0000005200000000, -0.0009858400000000 ] - [ -0.0000013100000000, 0.0000005300000000, -0.0004815200000000 ] - [ 0.0000352500000000, 0.0000003300000000, -0.0000997700000000 ] - [ 0.0000029300000000, 0.0000000000000000, -0.0005360600000000 ] - [ -0.0000002200000000, 0.0000000300000000, -0.0000815400000000 ] - [ 0.0000021400000000, -0.0000000700000000, 0.0000960600000000 ] - [ 0.0000025400000000, 0.0000000000000000, -0.0003718400000000 ] - [ 0.0000012400000000, 0.0000004100000000, -0.0003393700000000 ] - [ -0.0000006500000000, 0.0000004300000000, -0.0004850000000000 ] - [ -0.0000011800000000, 0.0000004100000000, -0.0000160200000000 ] - [ 0.0000005100000000, 0.0000004800000000, 0.0004051100000000 ] - [ -0.0000002800000000, 0.0000006700000000, 0.0000373700000000 ] - [ -0.0000010000000000, 0.0000005700000000, 0.0000730700000000 ] - [ 0.0000003700000000, 0.0000005800000000, 0.0004402300000000 ] - [ 0.0000003900000000, 0.0000006500000000, 0.0003173100000000 ] - [ 0.0109629100000000, 0.0002051900000000, 0.0000793200000000 ] - [ -0.0000020300000000, 0.0000004900000000, 0.0002127300000000 ] - [ 0.0000002700000000, 0.0000004600000000, 0.0000712700000000 ] - [ 0.0000014000000000, 0.0000004500000000, -0.0002787400000000 ] - [ -0.0000005900000000, 0.0000004600000000, -0.0007674500000000 ] - [ 0.0109297100000000, -0.0002035900000000, 0.0000412300000000 ] - [ 0.0000005800000000, 0.0000005400000000, -0.0000939700000000 ] - [ 0.0000005300000000, 0.0000006100000000, 0.0002361000000000 ] - [ -0.0000002200000000, 0.0000006800000000, 0.0006151000000000 ] - [ 0.0000000900000000, 0.0000006300000000, -0.0000725800000000 ] - [ -0.0000009600000000, 0.0000004600000000, 0.0007825600000000 ] - [ -0.0000003400000000, 0.0000006600000000, 0.0001933900000000 ] - [ 0.0000011800000000, 0.0000005200000000, -0.0001331700000000 ] - [ 0.0000004900000000, 0.0000007300000000, 0.0000468300000000 ] - [ 0.0000009400000000, 0.0000004700000000, -0.0002629000000000 ] - [ -0.0001879700000000, 0.0000006300000000, 0.0000763100000000 ] - [ -0.0002753500000000, 0.0000008800000000, 0.0001934900000000 ] - [ 0.0000001200000000, 0.0000005300000000, 0.0000717000000000 ] - [ 0.0000008500000000, 0.0000004400000000, -0.0000486500000000 ] - [ 0.0000008600000000, 0.0000002400000000, 0.0001964000000000 ] - [ 0.0000024200000000, -0.0000002000000000, 0.0002133700000000 ] - [ -0.0000310900000000, 0.0000003800000000, 0.0003667500000000 ] - [ -0.0000012200000000, 0.0000006500000000, 0.0003998200000000 ] - [ 0.0000071900000000, 0.0000003000000000, 0.0000162000000000 ] - [ 0.0000000500000000, 0.0000006000000000, 0.0001491700000000 ] - [ 0.0000022000000000, 0.0000006000000000, 0.0001406100000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006136900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000743500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004839200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006791900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003745300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003945100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000581600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005088400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006937700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006367000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007841000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003140500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002520600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002218200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001439900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000290400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304913100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000788300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005746500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010571500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301707300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003880300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000628600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003253300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003642600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004880100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001038700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004242600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005512400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000222200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001244700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003457600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000570400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001055500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002916000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001500400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001561300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005703500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004820500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004978700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007008900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007026200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004999600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008090100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015761900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010723200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011305700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006716700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005003600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009683500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001892900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007031500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003313300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003711600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007339200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300553800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005087000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003651400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000145900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303677600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005314400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002230500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010745500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001623900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003403200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000307500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001337200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002593500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004879900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005096400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006808500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006964200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003230600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004455300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004338600000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007100000000, 0.0000004600000000, 0.0000212100000000 ] - [ -0.0000004100000000, -0.0000000300000000, 0.0001733400000000 ] - [ 0.0000007500000000, 0.0000004300000000, 0.0000939200000000 ] - [ 0.0000023100000000, 0.0000001000000000, -0.0000960400000000 ] - [ -0.0215116400000000, -0.0000209600000000, -0.0000806800000000 ] - [ -0.0000025100000000, 0.0000009300000000, -0.0005166900000000 ] - [ 0.0000027300000000, 0.0000000000000000, -0.0001100400000000 ] - [ 0.0000971700000000, 0.0000001800000000, 0.0000898700000000 ] - [ 0.0000016900000000, -0.0000000400000000, 0.0002295800000000 ] - [ 0.0000005100000000, 0.0000004500000000, -0.0002176200000000 ] - [ -0.0000007000000000, 0.0000004800000000, -0.0009858300000000 ] - [ 0.0000349700000000, 0.0000001900000000, -0.0004813400000000 ] - [ -0.0000015100000000, 0.0000003700000000, -0.0000997000000000 ] - [ 0.0000016100000000, -0.0000000400000000, -0.0005360600000000 ] - [ 0.0000025600000000, -0.0000000200000000, -0.0000815200000000 ] - [ 0.0000009800000000, -0.0000001500000000, 0.0000959800000000 ] - [ -0.0000004300000000, -0.0000000300000000, -0.0003718400000000 ] - [ -0.0000001700000000, 0.0000003700000000, -0.0003391100000000 ] - [ 0.0000005300000000, 0.0000003800000000, -0.0004846900000000 ] - [ 0.0000002300000000, 0.0000003600000000, -0.0000156600000000 ] - [ 0.0109519900000000, 0.0002048400000000, 0.0001572000000000 ] - [ 0.0000008400000000, 0.0000006200000000, 0.0000371300000000 ] - [ 0.0000080600000000, 0.0000005800000000, 0.0000728000000000 ] - [ -0.0000003700000000, 0.0000005400000000, 0.0004404500000000 ] - [ -0.0000010800000000, 0.0000006000000000, 0.0003171100000000 ] - [ -0.0000000400000000, 0.0000007800000000, 0.0003262100000000 ] - [ -0.0000016200000000, 0.0000004400000000, 0.0002125000000000 ] - [ 0.0107410800000000, -0.0002038500000000, 0.0003190600000000 ] - [ -0.0000000800000000, 0.0000004200000000, -0.0002785500000000 ] - [ -0.0000021900000000, 0.0000004100000000, -0.0007677700000000 ] - [ 0.0000006900000000, 0.0000003400000000, -0.0002057800000000 ] - [ 0.0000005200000000, 0.0000005000000000, -0.0000941900000000 ] - [ 0.0000003600000000, 0.0000005600000000, 0.0002363800000000 ] - [ 0.0000009900000000, 0.0000006400000000, 0.0006147900000000 ] - [ -0.0000014800000000, 0.0000005800000000, -0.0000727700000000 ] - [ -0.0000009000000000, 0.0000004000000000, 0.0007828200000000 ] - [ 0.0000223300000000, 0.0000005600000000, 0.0001935800000000 ] - [ -0.0000742900000000, 0.0000012000000000, -0.0001332000000000 ] - [ 0.0000004800000000, 0.0000006700000000, 0.0000464700000000 ] - [ 0.0000008300000000, 0.0000004100000000, -0.0002631400000000 ] - [ 0.0000007600000000, 0.0000005100000000, 0.0000771600000000 ] - [ -0.0000003100000000, 0.0000006300000000, 0.0001928900000000 ] - [ -0.0002776700000000, 0.0000002900000000, 0.0000717000000000 ] - [ 0.0000007500000000, 0.0000004000000000, -0.0000484500000000 ] - [ 0.0000021200000000, 0.0000007800000000, 0.0001955100000000 ] - [ 0.0000008300000000, 0.0000003600000000, 0.0002120000000000 ] - [ -0.0000001100000000, 0.0000003800000000, 0.0003663900000000 ] - [ -0.0000003700000000, 0.0000006100000000, 0.0003995300000000 ] - [ -0.0000008600000000, 0.0000003100000000, 0.0000164700000000 ] - [ -0.0000001900000000, 0.0000005600000000, 0.0001494100000000 ] - [ 0.0000009200000000, 0.0000005400000000, 0.0001392200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007642600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006796800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004957900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611551900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003684500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001551100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004851500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005075800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002152300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006373800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007812900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003140000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002535900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002323600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001408300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000250100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000329600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010634400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003646100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004892600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001155100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001152400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002460500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005544500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002188400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000008500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003465800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000967200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000835900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000744300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001018000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002808200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001493200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001566500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005643300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004172600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004925400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006873100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610003100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007018700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005676000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003580900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015724000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011187700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006854600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011264500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006717500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002823400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003800200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007382900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006104000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300296200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000188700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004711500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001987400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005330000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009057300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010755300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005011000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001527600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003390900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000294900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004896100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001449400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002479300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005084700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006584700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006973400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003130000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004464400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004340100000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000014100000000, -0.0000002200000000, 0.0000230700000000 ] - [ -0.0000011900000000, -0.0000008400000000, 0.0001735900000000 ] - [ -0.0000005800000000, -0.0000003500000000, 0.0000956800000000 ] - [ 0.0000002500000000, -0.0000006800000000, -0.0000956200000000 ] - [ -0.0000008200000000, -0.0000009000000000, -0.0001060400000000 ] - [ -0.0215146900000000, 0.0000216300000000, -0.0005456600000000 ] - [ 0.0000015500000000, -0.0000007100000000, -0.0001083600000000 ] - [ 0.0000359500000000, -0.0000008900000000, 0.0000889700000000 ] - [ 0.0000003100000000, -0.0000008900000000, 0.0002314900000000 ] - [ 0.0000008400000000, -0.0000003700000000, -0.0002157100000000 ] - [ 0.0000005500000000, -0.0000003400000000, -0.0009837800000000 ] - [ -0.0000005200000000, -0.0000003100000000, -0.0004796300000000 ] - [ -0.0000017600000000, -0.0000004500000000, -0.0000977600000000 ] - [ -0.0000010400000000, -0.0000009000000000, -0.0005342600000000 ] - [ 0.0000016500000000, -0.0000008100000000, -0.0000797100000000 ] - [ 0.0000357600000000, -0.0000012600000000, 0.0000963400000000 ] - [ -0.0000004800000000, -0.0000008300000000, -0.0003701600000000 ] - [ -0.0000022300000000, -0.0000004400000000, -0.0003378800000000 ] - [ 0.0000008000000000, -0.0000004100000000, -0.0004835500000000 ] - [ -0.0000016600000000, -0.0000004500000000, -0.0000143900000000 ] - [ -0.0000026300000000, -0.0000003700000000, 0.0004037100000000 ] - [ 0.0000011100000000, -0.0000001800000000, 0.0000379600000000 ] - [ -0.0001875200000000, -0.0000002200000000, 0.0000720200000000 ] - [ 0.0000004700000000, -0.0000002800000000, 0.0004423300000000 ] - [ 0.0000009200000000, -0.0000002300000000, 0.0003175500000000 ] - [ -0.0000001700000000, -0.0000000100000000, 0.0003275000000000 ] - [ 0.0000003300000000, -0.0000003400000000, 0.0002131100000000 ] - [ 0.0000008700000000, -0.0000004000000000, 0.0000743000000000 ] - [ -0.0000001100000000, -0.0000003800000000, -0.0002769400000000 ] - [ 0.0000001200000000, -0.0000004000000000, -0.0007667300000000 ] - [ 0.0000004400000000, -0.0000004700000000, -0.0002049700000000 ] - [ 0.0000009200000000, -0.0000003100000000, -0.0000940100000000 ] - [ 0.0000000800000000, -0.0000002400000000, 0.0002374900000000 ] - [ 0.0000005300000000, -0.0000001900000000, 0.0006158600000000 ] - [ -0.0000009900000000, -0.0000002300000000, -0.0000728400000000 ] - [ 0.0109587800000000, 0.0002039800000000, 0.0010314000000000 ] - [ -0.0000010800000000, -0.0000001800000000, 0.0001959500000000 ] - [ 0.0000025900000000, -0.0000009600000000, -0.0001323800000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0000474700000000 ] - [ 0.0000006900000000, -0.0000003900000000, -0.0002621800000000 ] - [ 0.0000001900000000, -0.0000002800000000, 0.0000788400000000 ] - [ 0.0000004700000000, -0.0000001400000000, 0.0001927100000000 ] - [ -0.0000303400000000, -0.0000004000000000, 0.0000747600000000 ] - [ 0.0000014700000000, -0.0000004100000000, -0.0000462600000000 ] - [ -0.0000728700000000, 0.0000001100000000, 0.0001968900000000 ] - [ 0.0107535400000000, -0.0002048900000000, -0.0000363800000000 ] - [ 0.0000001400000000, -0.0000004400000000, 0.0003672100000000 ] - [ 0.0000219600000000, -0.0000002000000000, 0.0003998400000000 ] - [ 0.0000006500000000, -0.0000004900000000, 0.0000179700000000 ] - [ -0.0000025100000000, -0.0000002700000000, 0.0001508400000000 ] - [ 0.0000006600000000, -0.0000002600000000, 0.0001403500000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006097000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006825000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004962400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004833200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0616691300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007302800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008181600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003715400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003963700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001078900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004890700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000532300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005080000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007385000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001127400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002495900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000179900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001444000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000298700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000349400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000771500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005746300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010571000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003258000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0311517000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004174900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002436100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005505500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002171500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003441100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303296800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000943600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001490700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001569900000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005662600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004190900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0606068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005480200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003577000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008055900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015741800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010697400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006876200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011238400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006696000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001896100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003283700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006095600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006184200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003652200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000155900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004752400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000908500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001999900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005354600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009074700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002216900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0293701800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001604700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003384300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000285900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004877500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301197200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003092500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004355100000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000352400000000, 0.0000004300000000, 0.0000220700000000 ] - [ 0.0000014400000000, 0.0000000200000000, 0.0001743200000000 ] - [ -0.0000005700000000, 0.0000005000000000, 0.0000949000000000 ] - [ 0.0000016400000000, 0.0000001400000000, -0.0000951000000000 ] - [ 0.0000028900000000, -0.0000000500000000, -0.0001067800000000 ] - [ -0.0000001300000000, 0.0000009900000000, -0.0005157100000000 ] - [ -0.0215332100000000, -0.0000234500000000, -0.0001312000000000 ] - [ 0.0000020000000000, 0.0000000600000000, 0.0000909400000000 ] - [ -0.0000002200000000, 0.0000000200000000, 0.0002305200000000 ] - [ 0.0000006600000000, 0.0000005100000000, -0.0002166100000000 ] - [ 0.0000009800000000, 0.0000005300000000, -0.0009848500000000 ] - [ -0.0000003200000000, 0.0000005400000000, -0.0004805300000000 ] - [ 0.0000352900000000, 0.0000001500000000, -0.0000985500000000 ] - [ 0.0000026500000000, 0.0000000200000000, -0.0005350200000000 ] - [ 0.0000018000000000, 0.0000000600000000, -0.0000804800000000 ] - [ -0.0000002700000000, -0.0000000600000000, 0.0000970100000000 ] - [ 0.0000019500000000, 0.0000000000000000, -0.0003708800000000 ] - [ -0.0000006200000000, 0.0000004200000000, -0.0003383400000000 ] - [ -0.0000011200000000, 0.0000004500000000, -0.0004839500000000 ] - [ 0.0107450600000000, -0.0002038400000000, 0.0002325000000000 ] - [ 0.0000000700000000, 0.0000004900000000, 0.0004060500000000 ] - [ -0.0000001300000000, 0.0000006800000000, 0.0000383300000000 ] - [ 0.0000009600000000, 0.0000005800000000, 0.0000740000000000 ] - [ 0.0000001500000000, 0.0000006000000000, 0.0004412800000000 ] - [ -0.0000002400000000, 0.0000006600000000, 0.0003182600000000 ] - [ -0.0000011600000000, 0.0000008500000000, 0.0003275400000000 ] - [ 0.0000009800000000, 0.0000005100000000, 0.0002136600000000 ] - [ 0.0000009100000000, 0.0000004600000000, 0.0000723000000000 ] - [ 0.0000013000000000, 0.0000004600000000, -0.0002777300000000 ] - [ -0.0000309300000000, 0.0000004300000000, -0.0007665200000000 ] - [ 0.0000008900000000, 0.0000003900000000, -0.0002051500000000 ] - [ -0.0000019900000000, 0.0000005500000000, -0.0000930400000000 ] - [ 0.0000016500000000, 0.0000008100000000, 0.0002365600000000 ] - [ 0.0000005200000000, 0.0000007000000000, 0.0006160400000000 ] - [ 0.0000004300000000, 0.0000006500000000, -0.0000716300000000 ] - [ 0.0000006100000000, 0.0000004600000000, 0.0007836100000000 ] - [ 0.0000004100000000, 0.0000006600000000, 0.0001944200000000 ] - [ 0.0000007400000000, 0.0000005300000000, -0.0001322000000000 ] - [ 0.0109646300000000, 0.0002052200000000, -0.0001995800000000 ] - [ -0.0000005200000000, 0.0000004800000000, -0.0002619400000000 ] - [ 0.0000226300000000, 0.0000005400000000, 0.0000777700000000 ] - [ 0.0000023400000000, 0.0000007000000000, 0.0001924700000000 ] - [ 0.0000001000000000, 0.0000005400000000, 0.0000727500000000 ] - [ 0.0000014800000000, 0.0000004600000000, -0.0000476000000000 ] - [ 0.0000000100000000, 0.0000002500000000, 0.0001974300000000 ] - [ 0.0000010000000000, 0.0000004100000000, 0.0002131600000000 ] - [ -0.0000744100000000, 0.0000011700000000, 0.0003679100000000 ] - [ -0.0000008700000000, 0.0000006600000000, 0.0004007900000000 ] - [ 0.0000000500000000, 0.0000003700000000, 0.0000171700000000 ] - [ 0.0000006100000000, 0.0000006200000000, 0.0001502000000000 ] - [ -0.0001873600000000, 0.0000006600000000, 0.0001394100000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006817800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004844500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000715500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612089000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006800700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008167800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003702900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000573500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006876000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002164600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007818600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001107200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002191900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001417000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000268200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000349100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000770500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002254500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005751400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005018500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003862200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004900500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001028200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004274900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302028400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005539600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003441100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000822900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003888000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001045800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002811700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001484800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000853200000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0006147700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004171000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006864900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006985100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609404100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003559000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015711100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010661500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007353400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006717300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004939000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009582700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000380100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301132700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003289000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006083100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000213000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000946200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005336200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002166800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010793100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004929700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001618600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303249400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003894800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004829300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003721300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004942600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003395200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006947300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003188000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004503700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001993800000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000012300000000, 0.0000011000000000, 0.0000224000000000 ] - [ 0.0000016200000000, 0.0000005100000000, 0.0001729900000000 ] - [ -0.0000001700000000, 0.0000009700000000, 0.0000950800000000 ] - [ 0.0000000100000000, 0.0000006500000000, -0.0000962600000000 ] - [ 0.0000975300000000, 0.0000003500000000, -0.0001066600000000 ] - [ 0.0000345900000000, 0.0000017600000000, -0.0005188100000000 ] - [ 0.0000023200000000, 0.0000006400000000, -0.0001089800000000 ] - [ -0.0215480300000000, -0.0000466600000000, 0.0000930500000000 ] - [ 0.0000032200000000, 0.0000004500000000, 0.0002308400000000 ] - [ -0.0000010900000000, 0.0000009700000000, -0.0002163300000000 ] - [ -0.0000015500000000, 0.0000010000000000, -0.0009844000000000 ] - [ -0.0000012200000000, 0.0000010500000000, -0.0004802200000000 ] - [ 0.0000009700000000, 0.0000009000000000, -0.0000984100000000 ] - [ 0.0000009700000000, 0.0000004400000000, -0.0005348000000000 ] - [ 0.0000027300000000, 0.0000005500000000, -0.0000803400000000 ] - [ 0.0000020200000000, 0.0000003900000000, 0.0000959000000000 ] - [ 0.0000029100000000, 0.0000005200000000, -0.0003707500000000 ] - [ 0.0000011000000000, 0.0000009000000000, -0.0003385100000000 ] - [ 0.0000016800000000, 0.0000009400000000, -0.0004841600000000 ] - [ 0.0000015100000000, 0.0000009000000000, -0.0000149800000000 ] - [ -0.0002771400000000, 0.0000011600000000, 0.0004033100000000 ] - [ 0.0000004100000000, 0.0000011700000000, 0.0000373500000000 ] - [ 0.0107654800000000, 0.0002056900000000, -0.0001770400000000 ] - [ 0.0000000600000000, 0.0000010900000000, 0.0004417200000000 ] - [ 0.0000008800000000, 0.0000011100000000, 0.0003169000000000 ] - [ 0.0000001700000000, 0.0000013300000000, 0.0003269100000000 ] - [ 0.0000014000000000, 0.0000010100000000, 0.0002124600000000 ] - [ 0.0000088600000000, 0.0000009000000000, 0.0000737300000000 ] - [ 0.0000005700000000, 0.0000009800000000, -0.0002775500000000 ] - [ -0.0000017800000000, 0.0000009500000000, -0.0007673600000000 ] - [ -0.0000004300000000, 0.0000008700000000, -0.0002056100000000 ] - [ 0.0000009400000000, 0.0000010300000000, -0.0000946700000000 ] - [ 0.0000005800000000, 0.0000011000000000, 0.0002369000000000 ] - [ 0.0000006700000000, 0.0000011600000000, 0.0006152400000000 ] - [ 0.0000023600000000, 0.0000005200000000, -0.0000723200000000 ] - [ -0.0000741000000000, 0.0000002400000000, 0.0007834200000000 ] - [ 0.0000008700000000, 0.0000011600000000, 0.0001953200000000 ] - [ -0.0000000200000000, 0.0000009900000000, -0.0001341500000000 ] - [ 0.0000000300000000, 0.0000012200000000, 0.0000468400000000 ] - [ 0.0000009300000000, 0.0000009600000000, -0.0002628200000000 ] - [ 0.0000008300000000, 0.0000010700000000, 0.0000782400000000 ] - [ 0.0000001300000000, 0.0000012100000000, 0.0001920800000000 ] - [ 0.0109389300000000, -0.0002031900000000, 0.0003217100000000 ] - [ 0.0000003500000000, 0.0000009500000000, -0.0000468700000000 ] - [ -0.0000008900000000, 0.0000007000000000, 0.0001963600000000 ] - [ 0.0000231300000000, 0.0000009400000000, 0.0002106400000000 ] - [ 0.0000011500000000, 0.0000009200000000, 0.0003665800000000 ] - [ 0.0000008900000000, 0.0000011800000000, 0.0003992600000000 ] - [ 0.0000021200000000, 0.0000010500000000, 0.0000167600000000 ] - [ -0.0000000700000000, 0.0000010900000000, 0.0001502400000000 ] - [ 0.0000003500000000, 0.0000010800000000, 0.0001397500000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006092900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007655500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006811200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004931200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005486600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001203100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004806700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610448900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008215000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003979400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001084500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004889000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000532600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002174200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006346900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003091700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003344900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002544000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301879600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001441200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000339400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000784700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005744000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003845400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000579200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003253400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008034700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001018900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004228400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005576200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002174300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304356100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003454900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000954600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000921500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000752700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001061200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001463600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001570200000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005648700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006839500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007684100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011526400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008030100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015716700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011216900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006725000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000429500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001898000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004763700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003323000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302559500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006186000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005077200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003765200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000175100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004724900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000932800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005314100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009069200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007660800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001607300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000347100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003749900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004898200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004910600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005195800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006583100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004452100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004372500000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002600000000, 0.0000009400000000, 0.0000218800000000 ] - [ 0.0000032200000000, 0.0000004300000000, 0.0001739900000000 ] - [ 0.0000352700000000, 0.0000006200000000, 0.0000947500000000 ] - [ 0.0000021800000000, 0.0000005600000000, -0.0000953700000000 ] - [ 0.0000021300000000, 0.0000003300000000, -0.0001071300000000 ] - [ -0.0000009400000000, 0.0000013900000000, -0.0005160300000000 ] - [ 0.0000000800000000, 0.0000004600000000, -0.0001093600000000 ] - [ 0.0000032100000000, 0.0000004700000000, 0.0000905900000000 ] - [ -0.0215296300000000, -0.0000441900000000, 0.0002246200000000 ] - [ 0.0000354300000000, 0.0000008200000000, -0.0002171400000000 ] - [ -0.0000003400000000, 0.0000009400000000, -0.0009852200000000 ] - [ 0.0000009800000000, 0.0000009500000000, -0.0004808800000000 ] - [ 0.0000009800000000, 0.0000008500000000, -0.0000990300000000 ] - [ 0.0000000500000000, 0.0000004100000000, -0.0005354300000000 ] - [ 0.0000022300000000, 0.0000004400000000, -0.0000808500000000 ] - [ 0.0000030500000000, 0.0000003200000000, 0.0000966700000000 ] - [ 0.0000020800000000, 0.0000004300000000, -0.0003712100000000 ] - [ 0.0107342300000000, -0.0002032700000000, -0.0000911500000000 ] - [ 0.0000012000000000, 0.0000008600000000, -0.0004841500000000 ] - [ 0.0000003800000000, 0.0000008400000000, -0.0000151600000000 ] - [ -0.0000000800000000, 0.0000008900000000, 0.0004056000000000 ] - [ 0.0109598600000000, 0.0002055100000000, -0.0002094300000000 ] - [ 0.0000008200000000, 0.0000009800000000, 0.0000735400000000 ] - [ 0.0000024000000000, 0.0000016000000000, 0.0004398800000000 ] - [ 0.0000007800000000, 0.0000010700000000, 0.0003178200000000 ] - [ 0.0000013700000000, 0.0000012600000000, 0.0003269900000000 ] - [ -0.0000305600000000, 0.0000008700000000, 0.0002131900000000 ] - [ 0.0000015500000000, 0.0000008700000000, 0.0000720600000000 ] - [ -0.0000008700000000, 0.0000008800000000, -0.0002779400000000 ] - [ 0.0000009500000000, 0.0000008800000000, -0.0007670300000000 ] - [ 0.0000002600000000, 0.0000008000000000, -0.0002052900000000 ] - [ -0.0000003000000000, 0.0000009700000000, -0.0000934800000000 ] - [ 0.0000226900000000, 0.0000009900000000, 0.0002369300000000 ] - [ -0.0000010200000000, 0.0000011000000000, 0.0006155100000000 ] - [ 0.0000000900000000, 0.0000010400000000, -0.0000720600000000 ] - [ 0.0000005400000000, 0.0000008700000000, 0.0007833600000000 ] - [ 0.0000008700000000, 0.0000010700000000, 0.0001941900000000 ] - [ 0.0000013000000000, 0.0000009400000000, -0.0001326700000000 ] - [ -0.0000005800000000, 0.0000011400000000, 0.0000472200000000 ] - [ -0.0000735700000000, 0.0000016100000000, -0.0002623100000000 ] - [ 0.0000002500000000, 0.0000009700000000, 0.0000776600000000 ] - [ 0.0000004600000000, 0.0000011100000000, 0.0001936500000000 ] - [ 0.0000007500000000, 0.0000009300000000, 0.0000725200000000 ] - [ -0.0000003400000000, 0.0000008600000000, -0.0000478500000000 ] - [ 0.0000008700000000, 0.0000006400000000, 0.0001972300000000 ] - [ 0.0000010300000000, 0.0000008400000000, 0.0002127100000000 ] - [ -0.0000011800000000, 0.0000008300000000, 0.0003671500000000 ] - [ 0.0000014200000000, 0.0000010700000000, 0.0004002600000000 ] - [ 0.0000010900000000, 0.0000007800000000, 0.0000170000000000 ] - [ -0.0001864400000000, 0.0000010600000000, 0.0001494800000000 ] - [ 0.0000000600000000, 0.0000010000000000, 0.0001397300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006092600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004812700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000709500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004772500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006815900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0608617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004881100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000496200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006903400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002215300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301945900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002192600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001415700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000277100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000368800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002262100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010570800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005032500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000721500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003626000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003478000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000960500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000761500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001069400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001602800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005442500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006958300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011021300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0613398700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010691900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006875400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011219800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006709400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001884500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002821700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007020400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303335000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003697800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007327700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006102000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006172400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003650500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000916100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005432600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009084100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010791300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004892000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001602400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003391400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004894700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003679000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002476500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005073300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006939100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004372300000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000020300000000, 0.0000000800000000, 0.0000215800000000 ] - [ -0.0000005600000000, -0.0000004100000000, 0.0001737200000000 ] - [ 0.0000000100000000, 0.0000000700000000, 0.0000942900000000 ] - [ 0.0000007000000000, -0.0000002800000000, -0.0000956500000000 ] - [ 0.0000004500000000, -0.0000005000000000, -0.0001073400000000 ] - [ -0.0000009400000000, 0.0000005500000000, -0.0005162900000000 ] - [ 0.0000005500000000, -0.0000003800000000, -0.0001096100000000 ] - [ -0.0000015300000000, -0.0000003800000000, 0.0000903700000000 ] - [ 0.0000348300000000, -0.0000001300000000, 0.0002300700000000 ] - [ -0.0214565300000000, 0.0000007700000000, -0.0002105800000000 ] - [ 0.0000000100000000, 0.0000000900000000, -0.0009854100000000 ] - [ -0.0000019800000000, 0.0000001000000000, -0.0004810700000000 ] - [ -0.0000001800000000, -0.0000000100000000, -0.0000992700000000 ] - [ -0.0000008700000000, -0.0000004300000000, -0.0005356000000000 ] - [ -0.0000007200000000, -0.0000003900000000, -0.0000811200000000 ] - [ -0.0000006800000000, -0.0000005000000000, 0.0000964200000000 ] - [ 0.0000350700000000, -0.0000003300000000, -0.0003715400000000 ] - [ 0.0000217100000000, 0.0000000200000000, -0.0003389400000000 ] - [ -0.0000009500000000, 0.0000000100000000, -0.0004845900000000 ] - [ -0.0000007500000000, -0.0000000300000000, -0.0000156400000000 ] - [ -0.0000005800000000, 0.0000000500000000, 0.0004054800000000 ] - [ -0.0000752400000000, -0.0000004800000000, 0.0000379200000000 ] - [ -0.0000014200000000, 0.0000001400000000, 0.0000734500000000 ] - [ -0.0000024900000000, 0.0000001600000000, 0.0004406300000000 ] - [ -0.0000323000000000, 0.0000002900000000, 0.0003176500000000 ] - [ -0.0000003500000000, 0.0000004100000000, 0.0003270100000000 ] - [ 0.0109588500000000, -0.0002043400000000, -0.0000341500000000 ] - [ -0.0000001400000000, 0.0000000200000000, 0.0000716800000000 ] - [ -0.0001880200000000, -0.0000000200000000, -0.0002788900000000 ] - [ -0.0000015900000000, 0.0000000300000000, -0.0007670100000000 ] - [ -0.0000002100000000, -0.0000000400000000, -0.0002057700000000 ] - [ -0.0000001900000000, 0.0000001200000000, -0.0000936000000000 ] - [ -0.0000004700000000, 0.0000001800000000, 0.0002365100000000 ] - [ -0.0000007400000000, 0.0000002600000000, 0.0006155200000000 ] - [ -0.0000020100000000, 0.0000002100000000, -0.0000722000000000 ] - [ -0.0000010200000000, 0.0000000300000000, 0.0007829600000000 ] - [ -0.0000019900000000, 0.0000002300000000, 0.0001937900000000 ] - [ -0.0000007800000000, 0.0000001000000000, -0.0001327800000000 ] - [ -0.0000028400000000, 0.0000002900000000, 0.0000472400000000 ] - [ -0.0000019400000000, 0.0000000500000000, -0.0002624600000000 ] - [ -0.0000013700000000, 0.0000001400000000, 0.0000771400000000 ] - [ -0.0000007600000000, 0.0000002700000000, 0.0001936900000000 ] - [ 0.0000002800000000, 0.0000001000000000, 0.0000721200000000 ] - [ 0.0000013800000000, -0.0000005800000000, -0.0000494200000000 ] - [ 0.0000002700000000, -0.0000001900000000, 0.0001968200000000 ] - [ -0.0000031100000000, -0.0000000300000000, 0.0002126300000000 ] - [ 0.0000003100000000, 0.0000000000000000, 0.0003672100000000 ] - [ -0.0000034500000000, 0.0000002300000000, 0.0004002400000000 ] - [ -0.0000004100000000, -0.0000000600000000, 0.0000165400000000 ] - [ 0.0107379800000000, 0.0002043500000000, 0.0003970000000000 ] - [ -0.0000012700000000, 0.0000001700000000, 0.0001392700000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007657800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004809800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006796200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008709500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0614323800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003925000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001081400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004924100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005095600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006889500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002695200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006442700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001162400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000577500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002163800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000088900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303705200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002239000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003296100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004999300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003807300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003283100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003603000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004906200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004205300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002175400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000920800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000814700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000807200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001042600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002764600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304764200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001569100000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005663200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011046700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006991600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004102400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609573600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015782700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010691300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011253800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006708800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010119900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001884500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002802400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003674600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006293000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301588600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003645200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002231100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004763100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005305300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009057600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002200500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004876600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003372000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004903100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003639700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004857600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005087700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299600800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004349100000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004600000000, 0.0000000800000000, 0.0000214300000000 ] - [ 0.0000005600000000, -0.0000004100000000, 0.0001735300000000 ] - [ -0.0000024200000000, 0.0000000600000000, 0.0000940800000000 ] - [ -0.0000009800000000, -0.0000002900000000, -0.0000958400000000 ] - [ -0.0000010600000000, -0.0000005100000000, -0.0001075300000000 ] - [ -0.0000014300000000, 0.0000005500000000, -0.0005164600000000 ] - [ 0.0000005000000000, -0.0000003800000000, -0.0001098000000000 ] - [ -0.0000022200000000, -0.0000003700000000, 0.0000901800000000 ] - [ -0.0000009600000000, -0.0000004200000000, 0.0002297200000000 ] - [ -0.0000002500000000, 0.0000000700000000, -0.0002174700000000 ] - [ -0.0214552800000000, 0.0000007500000000, -0.0009690400000000 ] - [ -0.0000002800000000, 0.0000001200000000, -0.0004812500000000 ] - [ 0.0000006900000000, -0.0000000100000000, -0.0000994700000000 ] - [ 0.0000346600000000, -0.0000003300000000, -0.0005359200000000 ] - [ 0.0000002200000000, -0.0000003900000000, -0.0000813000000000 ] - [ -0.0000017700000000, -0.0000005100000000, 0.0000962500000000 ] - [ 0.0000346500000000, -0.0000001400000000, -0.0003715400000000 ] - [ -0.0000012200000000, -0.0000000100000000, -0.0003391700000000 ] - [ -0.0000010000000000, 0.0000000000000000, -0.0004848000000000 ] - [ -0.0000004400000000, -0.0000000200000000, -0.0000158500000000 ] - [ -0.0000023600000000, 0.0000000500000000, 0.0004053000000000 ] - [ -0.0000009800000000, 0.0000002500000000, 0.0000376200000000 ] - [ -0.0000001200000000, 0.0000001400000000, 0.0000732700000000 ] - [ 0.0107447700000000, 0.0002044500000000, 0.0006879800000000 ] - [ -0.0000757700000000, -0.0000005100000000, 0.0003177000000000 ] - [ -0.0000036100000000, 0.0000004100000000, 0.0003268200000000 ] - [ -0.0000021900000000, 0.0000000700000000, 0.0002129700000000 ] - [ 0.0000011000000000, -0.0000005700000000, 0.0000702900000000 ] - [ 0.0000215000000000, 0.0000000600000000, -0.0002785300000000 ] - [ 0.0000000600000000, 0.0000000300000000, -0.0007672100000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0002059700000000 ] - [ 0.0109592900000000, -0.0002043100000000, -0.0003410600000000 ] - [ -0.0000015500000000, 0.0000001800000000, 0.0002362900000000 ] - [ -0.0000031400000000, 0.0000002500000000, 0.0006153200000000 ] - [ -0.0000325900000000, 0.0000002700000000, -0.0000724100000000 ] - [ -0.0000006700000000, 0.0000000300000000, 0.0007827400000000 ] - [ -0.0000027700000000, 0.0000002200000000, 0.0001935800000000 ] - [ -0.0000003700000000, 0.0000000900000000, -0.0001329600000000 ] - [ -0.0000006500000000, 0.0000003000000000, 0.0000470300000000 ] - [ -0.0000018100000000, 0.0000000400000000, -0.0002626400000000 ] - [ -0.0000009500000000, 0.0000001400000000, 0.0000769200000000 ] - [ -0.0000036600000000, 0.0000002600000000, 0.0001934900000000 ] - [ -0.0000018800000000, 0.0000000900000000, 0.0000718800000000 ] - [ -0.0001879900000000, -0.0000000300000000, -0.0000490000000000 ] - [ -0.0000001400000000, -0.0000001900000000, 0.0001966000000000 ] - [ -0.0000004100000000, -0.0000000300000000, 0.0002124100000000 ] - [ 0.0000002100000000, 0.0000000000000000, 0.0003670000000000 ] - [ -0.0000016200000000, 0.0000002300000000, 0.0004000500000000 ] - [ -0.0000009600000000, -0.0000000600000000, 0.0000163300000000 ] - [ -0.0000007200000000, 0.0000001700000000, 0.0001493700000000 ] - [ -0.0000016200000000, 0.0000001700000000, 0.0001390700000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006812400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006759200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003715600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0620217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004908600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005056100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002654100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006385200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007829900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003131800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001106200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002542200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002198800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000303200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005875000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010589900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300601500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000624300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004879500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004236700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002455100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001040600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000964800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000830100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000760100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001039900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001588900000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005683500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004169900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004944600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006949400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006971400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004967200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003580200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008079600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0601474100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006906800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011739200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006692400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004941700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000400900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001862400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002833700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006978000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0296652400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006185400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005036500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003661000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000301100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004786300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000916600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304650400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010776700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003352800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004860900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003700700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004903900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005045000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006921600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004463100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004375200000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000600000000, 0.0000000900000000, 0.0000215400000000 ] - [ -0.0000003300000000, -0.0000004100000000, 0.0001737000000000 ] - [ -0.0000009300000000, 0.0000000500000000, 0.0000942400000000 ] - [ -0.0000023600000000, -0.0000002800000000, -0.0000956800000000 ] - [ 0.0000342100000000, -0.0000004000000000, -0.0001074900000000 ] - [ -0.0000031700000000, 0.0000005700000000, -0.0005162900000000 ] - [ -0.0000014700000000, -0.0000003800000000, -0.0001096800000000 ] - [ -0.0000025600000000, -0.0000003700000000, 0.0000903500000000 ] - [ -0.0000003200000000, -0.0000004100000000, 0.0002298600000000 ] - [ -0.0000028500000000, 0.0000000700000000, -0.0002173200000000 ] - [ -0.0000009100000000, 0.0000001200000000, -0.0009855400000000 ] - [ -0.0214263200000000, -0.0000005300000000, -0.0004713200000000 ] - [ 0.0000002200000000, 0.0000000100000000, -0.0000993600000000 ] - [ 0.0000339300000000, -0.0000001300000000, -0.0005355900000000 ] - [ -0.0000001200000000, -0.0000003800000000, -0.0000811700000000 ] - [ -0.0000027600000000, -0.0000005000000000, 0.0000963900000000 ] - [ -0.0000014900000000, -0.0000004300000000, -0.0003715600000000 ] - [ -0.0000015700000000, -0.0000000200000000, -0.0003387600000000 ] - [ -0.0000009900000000, 0.0000000200000000, -0.0004843500000000 ] - [ -0.0000004600000000, -0.0000000100000000, -0.0000153300000000 ] - [ -0.0000325100000000, 0.0000001300000000, 0.0004051800000000 ] - [ -0.0000037000000000, 0.0000002400000000, 0.0000375000000000 ] - [ -0.0000012400000000, 0.0000001400000000, 0.0000731400000000 ] - [ -0.0000012400000000, 0.0000001600000000, 0.0004408100000000 ] - [ -0.0000015300000000, 0.0000002200000000, 0.0003174700000000 ] - [ -0.0000020700000000, 0.0000004200000000, 0.0003265500000000 ] - [ -0.0000023700000000, 0.0000000800000000, 0.0002128800000000 ] - [ -0.0001892500000000, -0.0000000200000000, 0.0000712700000000 ] - [ -0.0000017700000000, 0.0000000400000000, -0.0002781800000000 ] - [ -0.0000003300000000, 0.0000000300000000, -0.0007674300000000 ] - [ -0.0000006300000000, -0.0000000300000000, -0.0002054800000000 ] - [ -0.0000027900000000, 0.0000001300000000, -0.0000938300000000 ] - [ -0.0000021900000000, 0.0000001900000000, 0.0002367200000000 ] - [ -0.0000012700000000, 0.0000002600000000, 0.0006151500000000 ] - [ -0.0000761100000000, -0.0000005100000000, -0.0000722500000000 ] - [ 0.0000003400000000, 0.0000006300000000, 0.0007819400000000 ] - [ 0.0107367200000000, 0.0002044100000000, 0.0004413800000000 ] - [ 0.0109642500000000, -0.0002044000000000, -0.0003803400000000 ] - [ -0.0000042000000000, 0.0000003000000000, 0.0000468200000000 ] - [ -0.0000004700000000, 0.0000000400000000, -0.0002627700000000 ] - [ -0.0000017900000000, 0.0000001400000000, 0.0000774800000000 ] - [ -0.0000012700000000, 0.0000002700000000, 0.0001932000000000 ] - [ -0.0000040000000000, 0.0000001000000000, 0.0000722400000000 ] - [ 0.0000209100000000, 0.0000000600000000, -0.0000480500000000 ] - [ -0.0000026000000000, -0.0000001800000000, 0.0001969600000000 ] - [ -0.0000024800000000, -0.0000000100000000, 0.0002123100000000 ] - [ -0.0000008900000000, 0.0000000000000000, 0.0003667400000000 ] - [ -0.0000006000000000, 0.0000002300000000, 0.0003998600000000 ] - [ -0.0000010200000000, -0.0000000600000000, 0.0000167900000000 ] - [ -0.0000021000000000, 0.0000001700000000, 0.0001497600000000 ] - [ -0.0000014800000000, 0.0000001800000000, 0.0001395400000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007633700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006826300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004935000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005295800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004766500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006790300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008178000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003689000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0615631100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006856900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007774300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003054300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002583200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002250400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001472900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000228800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000210900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003896300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000570000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004930000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002532500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005571300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002154300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002228500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003530300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000931700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000872600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000697900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002754300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001446300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001519700000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005739500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004179400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006865700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007469300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011051900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003594000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008047800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0606994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006927900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011752800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004950700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000440500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001897900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007204100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003294400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003688300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007343600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006090700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001272000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000887500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009060000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010702100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003413800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000277800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004884900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005079100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006575700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006936900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004326500000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000008400000000, 0.0000000900000000, 0.0000218000000000 ] - [ -0.0000030800000000, -0.0000004100000000, 0.0001738100000000 ] - [ -0.0000030700000000, 0.0000000800000000, 0.0000945000000000 ] - [ 0.0000340100000000, 0.0000000100000000, -0.0000954600000000 ] - [ -0.0000024400000000, -0.0000004900000000, -0.0001072500000000 ] - [ -0.0000045200000000, 0.0000005600000000, -0.0005162000000000 ] - [ 0.0000343300000000, -0.0000002800000000, -0.0001095200000000 ] - [ -0.0000004100000000, -0.0000003700000000, 0.0000904500000000 ] - [ -0.0000004600000000, -0.0000004100000000, 0.0002301000000000 ] - [ -0.0000011200000000, 0.0000000700000000, -0.0002170900000000 ] - [ 0.0000000100000000, 0.0000000900000000, -0.0009853100000000 ] - [ 0.0000001800000000, 0.0000001200000000, -0.0004809600000000 ] - [ -0.0214350000000000, 0.0000003700000000, -0.0000990300000000 ] - [ -0.0000015700000000, -0.0000004100000000, -0.0005355100000000 ] - [ -0.0000017300000000, -0.0000003900000000, -0.0000809300000000 ] - [ -0.0000015900000000, -0.0000005100000000, 0.0000965100000000 ] - [ -0.0000000900000000, -0.0000004100000000, -0.0003713100000000 ] - [ -0.0000010600000000, 0.0000000000000000, -0.0003386700000000 ] - [ 0.0000004600000000, -0.0000005800000000, -0.0004854600000000 ] - [ -0.0001901100000000, -0.0000000800000000, -0.0000157400000000 ] - [ -0.0000012700000000, 0.0000000600000000, 0.0004054700000000 ] - [ -0.0000013900000000, 0.0000002500000000, 0.0000377000000000 ] - [ -0.0000038700000000, 0.0000001400000000, 0.0000734300000000 ] - [ -0.0000008200000000, 0.0000001700000000, 0.0004409400000000 ] - [ -0.0000043400000000, 0.0000002300000000, 0.0003176600000000 ] - [ -0.0000753400000000, -0.0000003100000000, 0.0003271500000000 ] - [ -0.0000018200000000, 0.0000000800000000, 0.0002130800000000 ] - [ -0.0000019500000000, 0.0000000300000000, 0.0000719600000000 ] - [ -0.0000015500000000, 0.0000000400000000, -0.0002780700000000 ] - [ -0.0000011100000000, 0.0000000300000000, -0.0007671400000000 ] - [ 0.0000204500000000, 0.0000000000000000, -0.0002053900000000 ] - [ -0.0000011700000000, 0.0000001200000000, -0.0000936100000000 ] - [ -0.0000029200000000, 0.0000001900000000, 0.0002367900000000 ] - [ -0.0000029300000000, 0.0000002700000000, 0.0006154100000000 ] - [ -0.0000017400000000, 0.0000002100000000, -0.0000722000000000 ] - [ -0.0000020700000000, 0.0000000400000000, 0.0007832400000000 ] - [ -0.0000014000000000, 0.0000002300000000, 0.0001940900000000 ] - [ -0.0000013700000000, 0.0000001000000000, -0.0001327800000000 ] - [ -0.0000333000000000, 0.0000003700000000, 0.0000470800000000 ] - [ -0.0000017300000000, 0.0000000500000000, -0.0002625400000000 ] - [ 0.0107448300000000, 0.0002044600000000, 0.0003251000000000 ] - [ -0.0000013900000000, 0.0000002600000000, 0.0001935600000000 ] - [ -0.0000015900000000, 0.0000001000000000, 0.0000724200000000 ] - [ -0.0000012500000000, 0.0000000400000000, -0.0000479400000000 ] - [ -0.0000019700000000, -0.0000001800000000, 0.0001970900000000 ] - [ -0.0000013100000000, -0.0000000200000000, 0.0002126100000000 ] - [ 0.0109697300000000, -0.0002045700000000, 0.0001196600000000 ] - [ -0.0000016400000000, 0.0000002300000000, 0.0004001900000000 ] - [ -0.0000012600000000, -0.0000000500000000, 0.0000168800000000 ] - [ -0.0000010100000000, 0.0000001900000000, 0.0001498600000000 ] - [ -0.0000034200000000, 0.0000001800000000, 0.0001395900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007652400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005438400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004777500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005276300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008164700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003952900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611492200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000496700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005054600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002148200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006381100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001106500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002529600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002214600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001433800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003465700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000781500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002268200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005786200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010586900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003833000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000628200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003230500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003674200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002663900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005546500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003460700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305219200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001038500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002802600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001584800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005675600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004934800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003570200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008061900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015760700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010721900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0609844100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006682900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004940700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009582700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001902900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003285800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003673000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003026300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003699800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004758600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001957900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005346900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009074700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010781800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004924000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001591500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000297200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300272800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004853500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003702500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004921500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300042100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006955500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003133100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004464400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004363600000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000009700000000, 0.0000007300000000, 0.0000216400000000 ] - [ 0.0000017900000000, 0.0000002300000000, 0.0001737300000000 ] - [ 0.0000007800000000, 0.0000007200000000, 0.0000943500000000 ] - [ 0.0000031000000000, 0.0000003600000000, -0.0000956200000000 ] - [ 0.0000019500000000, 0.0000001600000000, -0.0001073700000000 ] - [ -0.0000024600000000, 0.0000012200000000, -0.0005162700000000 ] - [ 0.0000028200000000, 0.0000002700000000, -0.0001095900000000 ] - [ 0.0000008700000000, 0.0000002600000000, 0.0000903500000000 ] - [ -0.0000000600000000, 0.0000002400000000, 0.0002299800000000 ] - [ -0.0000004200000000, 0.0000007300000000, -0.0002171800000000 ] - [ 0.0000351300000000, 0.0000004600000000, -0.0009852400000000 ] - [ 0.0000352900000000, 0.0000006700000000, -0.0004812500000000 ] - [ -0.0000004100000000, 0.0000006500000000, -0.0000992800000000 ] - [ -0.0215263900000000, -0.0000347000000000, -0.0005298900000000 ] - [ 0.0000018000000000, 0.0000002700000000, -0.0000810700000000 ] - [ 0.0000024500000000, 0.0000001600000000, 0.0000964100000000 ] - [ 0.0000020600000000, 0.0000002300000000, -0.0003714100000000 ] - [ 0.0000001800000000, 0.0000006600000000, -0.0003386900000000 ] - [ 0.0000001100000000, 0.0000006700000000, -0.0004842600000000 ] - [ 0.0000007800000000, 0.0000006300000000, -0.0000152400000000 ] - [ 0.0000004800000000, 0.0000007100000000, 0.0004053100000000 ] - [ -0.0000008000000000, 0.0000009000000000, 0.0000375300000000 ] - [ -0.0000001500000000, 0.0000008000000000, 0.0000732400000000 ] - [ 0.0000225900000000, 0.0000007800000000, 0.0004408900000000 ] - [ -0.0000012000000000, 0.0000008800000000, 0.0003174700000000 ] - [ 0.0000007900000000, 0.0000010700000000, 0.0003266300000000 ] - [ 0.0000008000000000, 0.0000007300000000, 0.0002128900000000 ] - [ -0.0000010700000000, 0.0000006800000000, 0.0000719400000000 ] - [ 0.0000010000000000, 0.0000006900000000, -0.0002781100000000 ] - [ 0.0000010700000000, 0.0000006800000000, -0.0007673800000000 ] - [ 0.0000004600000000, 0.0000006100000000, -0.0002053700000000 ] - [ -0.0000738500000000, 0.0000015100000000, -0.0000936800000000 ] - [ 0.0000000600000000, 0.0000008400000000, 0.0002368200000000 ] - [ 0.0000010900000000, 0.0000009100000000, 0.0006152000000000 ] - [ 0.0109584500000000, 0.0002052700000000, -0.0003196400000000 ] - [ 0.0000004300000000, 0.0000006800000000, 0.0007832400000000 ] - [ -0.0001865700000000, 0.0000009300000000, 0.0001935200000000 ] - [ -0.0000306600000000, 0.0000007100000000, -0.0001329800000000 ] - [ 0.0000013000000000, 0.0000009500000000, 0.0000468600000000 ] - [ -0.0000013500000000, 0.0000006900000000, -0.0002627400000000 ] - [ 0.0000011800000000, 0.0000007900000000, 0.0000776000000000 ] - [ -0.0000001300000000, 0.0000009200000000, 0.0001932900000000 ] - [ 0.0000025600000000, 0.0000013500000000, 0.0000712200000000 ] - [ 0.0107420600000000, -0.0002035500000000, 0.0001995200000000 ] - [ 0.0000008900000000, 0.0000004600000000, 0.0001970900000000 ] - [ 0.0000002400000000, 0.0000006200000000, 0.0002124000000000 ] - [ -0.0000019300000000, 0.0000006500000000, 0.0003668000000000 ] - [ 0.0000001200000000, 0.0000008700000000, 0.0003999400000000 ] - [ 0.0000013000000000, 0.0000005900000000, 0.0000169000000000 ] - [ -0.0000001400000000, 0.0000008300000000, 0.0001498500000000 ] - [ 0.0000006400000000, 0.0000008200000000, 0.0001396400000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004839700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000738500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004846200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006799800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008167700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003715100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003462500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001579800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004881100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0617051700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006913700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002198800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006355200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003090800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001134800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002203500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001342900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000271800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000361800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000758500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005740100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010568400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005015100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000747300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000597900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004912900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001401300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004423800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005528200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002152300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001002300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000950100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000819900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001057200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001559700000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005658500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004177900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006978800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004965800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003560000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008049600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011195100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006858400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0605759600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006725600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009611800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000422500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001878600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002800100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003703000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007465500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006109200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005053000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000170000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000929000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001122900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005331100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304423800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002511600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001799900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003365400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003723100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003636000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301555000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005089100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006620500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006958200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003122000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004466100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004358500000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000350800000000, 0.0000006300000000, 0.0000227400000000 ] - [ 0.0000023900000000, 0.0000003100000000, 0.0001731600000000 ] - [ 0.0000352700000000, 0.0000006900000000, 0.0000951000000000 ] - [ -0.0000000200000000, 0.0000004400000000, -0.0000960400000000 ] - [ 0.0000028900000000, 0.0000002200000000, -0.0001065500000000 ] - [ 0.0000004300000000, 0.0000012600000000, -0.0005184700000000 ] - [ 0.0000020300000000, 0.0000004400000000, -0.0001087900000000 ] - [ 0.0000026700000000, 0.0000003400000000, 0.0000883400000000 ] - [ 0.0000021900000000, 0.0000002500000000, 0.0002310000000000 ] - [ -0.0000004500000000, 0.0000007700000000, -0.0002162200000000 ] - [ 0.0000007600000000, 0.0000008000000000, -0.0009842900000000 ] - [ 0.0000012100000000, 0.0000008300000000, -0.0004801000000000 ] - [ -0.0000002600000000, 0.0000007000000000, -0.0000982700000000 ] - [ 0.0000018400000000, 0.0000002600000000, -0.0005347900000000 ] - [ -0.0215129000000000, -0.0000375100000000, -0.0000808300000000 ] - [ 0.0000021300000000, 0.0000001600000000, 0.0000960700000000 ] - [ 0.0000000500000000, 0.0000003300000000, -0.0003706500000000 ] - [ -0.0000010100000000, 0.0000007000000000, -0.0003383200000000 ] - [ 0.0107319500000000, -0.0002033400000000, -0.0002366600000000 ] - [ 0.0000010800000000, 0.0000006900000000, -0.0000149300000000 ] - [ 0.0000005100000000, 0.0000007800000000, 0.0004030900000000 ] - [ 0.0000006900000000, 0.0000009700000000, 0.0000374700000000 ] - [ 0.0000012500000000, 0.0000008700000000, 0.0000708600000000 ] - [ 0.0000008000000000, 0.0000008700000000, 0.0004419000000000 ] - [ 0.0000000000000000, 0.0000009000000000, 0.0003170400000000 ] - [ -0.0000006400000000, 0.0000011400000000, 0.0003271100000000 ] - [ -0.0000003900000000, 0.0000008100000000, 0.0002125700000000 ] - [ 0.0000016000000000, 0.0000007400000000, 0.0000739300000000 ] - [ -0.0000004600000000, 0.0000007600000000, -0.0002774100000000 ] - [ -0.0000734500000000, 0.0000014700000000, -0.0007670500000000 ] - [ 0.0000002200000000, 0.0000006700000000, -0.0002055900000000 ] - [ 0.0000010700000000, 0.0000008300000000, -0.0000945500000000 ] - [ -0.0001861000000000, 0.0000009600000000, 0.0002365500000000 ] - [ 0.0109522900000000, 0.0002052900000000, 0.0003681300000000 ] - [ -0.0000001100000000, 0.0000009100000000, -0.0000733800000000 ] - [ -0.0000021900000000, 0.0000007400000000, 0.0007837200000000 ] - [ 0.0000002600000000, 0.0000009600000000, 0.0001955400000000 ] - [ -0.0000017600000000, 0.0000007800000000, -0.0001341000000000 ] - [ -0.0000010800000000, 0.0000010200000000, 0.0000469800000000 ] - [ -0.0000304900000000, 0.0000007100000000, -0.0002627300000000 ] - [ -0.0000000700000000, 0.0000008600000000, 0.0000783000000000 ] - [ 0.0000008600000000, 0.0000010000000000, 0.0001922000000000 ] - [ 0.0000009400000000, 0.0000008000000000, 0.0000743300000000 ] - [ 0.0000014600000000, 0.0000007400000000, -0.0000466900000000 ] - [ 0.0000000900000000, 0.0000005000000000, 0.0001964400000000 ] - [ 0.0000006300000000, 0.0000006900000000, 0.0002106200000000 ] - [ 0.0000008500000000, 0.0000007200000000, 0.0003667600000000 ] - [ 0.0000011500000000, 0.0000009700000000, 0.0003993500000000 ] - [ 0.0000004000000000, 0.0000006600000000, 0.0000174200000000 ] - [ 0.0000018300000000, 0.0000010600000000, 0.0001498300000000 ] - [ 0.0000225400000000, 0.0000008500000000, 0.0001398400000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007326800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004936000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004833600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000714400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004834100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006824900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008198500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001069600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004890000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000557900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006887100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006349500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003120800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002539100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001451400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000354200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000806300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002205100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005740600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007514900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005041700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003657100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004277900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002447100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002214700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001011400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002209700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000844100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001064100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002802700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001689200000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0006172600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006854300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011055000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007033500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005032900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003604600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008063100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010699600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006882600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011284100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610923400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004977800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009598500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000397800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002846400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006932500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003239600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006053300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006118600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005008500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003688800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000211300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007911100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000961200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001923500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002965500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010806000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004941800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001560400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003334200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000453600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003801100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004810200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003692500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002502000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004932700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005031100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003179900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004450000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004495800000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000007600000000, 0.0000009200000000, 0.0000225300000000 ] - [ 0.0000962900000000, 0.0000004600000000, 0.0001730000000000 ] - [ 0.0000010900000000, 0.0000007800000000, 0.0000951700000000 ] - [ 0.0000022300000000, 0.0000004500000000, -0.0000961500000000 ] - [ 0.0000012000000000, 0.0000002100000000, -0.0001065500000000 ] - [ 0.0000344200000000, 0.0000013400000000, -0.0005183300000000 ] - [ -0.0000001300000000, 0.0000004300000000, -0.0001088800000000 ] - [ 0.0000017700000000, 0.0000003400000000, 0.0000882800000000 ] - [ 0.0000028900000000, 0.0000002400000000, 0.0002310000000000 ] - [ -0.0000003200000000, 0.0000007500000000, -0.0002162400000000 ] - [ -0.0000012800000000, 0.0000007800000000, -0.0009843200000000 ] - [ -0.0000015700000000, 0.0000008300000000, -0.0004801400000000 ] - [ -0.0000004300000000, 0.0000007000000000, -0.0000983500000000 ] - [ 0.0000024000000000, 0.0000002600000000, -0.0005348100000000 ] - [ 0.0000019300000000, 0.0000003400000000, -0.0000802600000000 ] - [ -0.0215582100000000, -0.0000371200000000, 0.0000963400000000 ] - [ 0.0000030600000000, 0.0000003300000000, -0.0003706700000000 ] - [ 0.0000015000000000, 0.0000007000000000, -0.0003384000000000 ] - [ 0.0000013800000000, 0.0000007300000000, -0.0004840900000000 ] - [ -0.0000005200000000, 0.0000006900000000, -0.0000149300000000 ] - [ 0.0000021500000000, 0.0000001700000000, 0.0004042500000000 ] - [ 0.0000005500000000, 0.0000009700000000, 0.0000374800000000 ] - [ -0.0000014000000000, 0.0000008600000000, 0.0000708900000000 ] - [ -0.0000001700000000, 0.0000008700000000, 0.0004418300000000 ] - [ 0.0000002400000000, 0.0000009100000000, 0.0003170100000000 ] - [ 0.0000009300000000, 0.0000011300000000, 0.0003270500000000 ] - [ 0.0000007300000000, 0.0000008000000000, 0.0002126000000000 ] - [ 0.0000001800000000, 0.0000007400000000, 0.0000738500000000 ] - [ 0.0000009800000000, 0.0000007600000000, -0.0002774400000000 ] - [ 0.0000010400000000, 0.0000007400000000, -0.0007672300000000 ] - [ -0.0000008400000000, 0.0000006600000000, -0.0002055100000000 ] - [ 0.0000012300000000, 0.0000008300000000, -0.0000945500000000 ] - [ 0.0000001700000000, 0.0000009000000000, 0.0002369700000000 ] - [ -0.0000001600000000, 0.0000009500000000, 0.0006153600000000 ] - [ 0.0000007200000000, 0.0000009200000000, -0.0000734100000000 ] - [ -0.0000311500000000, 0.0000008000000000, 0.0007836600000000 ] - [ -0.0000001300000000, 0.0000009700000000, 0.0001954700000000 ] - [ 0.0000008700000000, 0.0000007800000000, -0.0001341300000000 ] - [ -0.0000000300000000, 0.0000010100000000, 0.0000469900000000 ] - [ -0.0000018700000000, 0.0000007600000000, -0.0002626800000000 ] - [ 0.0000021700000000, 0.0000014600000000, 0.0000771600000000 ] - [ 0.0000070400000000, 0.0000010600000000, 0.0001921200000000 ] - [ 0.0000009300000000, 0.0000008100000000, 0.0000742400000000 ] - [ 0.0000004200000000, 0.0000007400000000, -0.0000467200000000 ] - [ 0.0109407400000000, -0.0002035400000000, 0.0004434700000000 ] - [ -0.0001856400000000, 0.0000006300000000, 0.0002112000000000 ] - [ -0.0000005100000000, 0.0000007200000000, 0.0003667300000000 ] - [ 0.0109444900000000, 0.0002051900000000, 0.0001517500000000 ] - [ -0.0002733100000000, 0.0000004800000000, 0.0000172500000000 ] - [ 0.0000004900000000, 0.0000008700000000, 0.0001503200000000 ] - [ 0.0000007100000000, 0.0000008800000000, 0.0001398200000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006121600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008315400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006845800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004805500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008239300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003721200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003956600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001087200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000575700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005109500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0609689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006335900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007801400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001092400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002565000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002271500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000322300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000869100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005744300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010620400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005021500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003196200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003690100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004704100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004284900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001183400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305667700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000703100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305714300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000484400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001579200000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005684500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004955000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006907700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006948300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011555200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007003900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015745300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010707000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006893400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011289600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611566200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009662400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000429800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007049800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003314500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003723300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007375300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003685600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000187800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004734100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000941800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002033100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002241100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010964200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004910700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003411400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000343900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003732400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005019900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003678500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002487900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002707900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299915200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000914400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004381300000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000009400000000, 0.0000009900000000, 0.0000215300000000 ] - [ 0.0000032100000000, 0.0000004800000000, 0.0001736200000000 ] - [ -0.0000002200000000, 0.0000009700000000, 0.0000942500000000 ] - [ 0.0000028100000000, 0.0000006100000000, -0.0000957700000000 ] - [ -0.0000000100000000, 0.0000004100000000, -0.0001074700000000 ] - [ -0.0000018500000000, 0.0000014600000000, -0.0005163700000000 ] - [ 0.0000022200000000, 0.0000005100000000, -0.0001096900000000 ] - [ 0.0000028700000000, 0.0000005300000000, 0.0000902500000000 ] - [ 0.0000020400000000, 0.0000005100000000, 0.0002298600000000 ] - [ 0.0000353700000000, 0.0000006900000000, -0.0002171300000000 ] - [ 0.0000354800000000, 0.0000009100000000, -0.0009857000000000 ] - [ -0.0000002700000000, 0.0000010100000000, -0.0004812300000000 ] - [ 0.0000012000000000, 0.0000009000000000, -0.0000993900000000 ] - [ 0.0000021600000000, 0.0000004800000000, -0.0005357200000000 ] - [ 0.0000000500000000, 0.0000005200000000, -0.0000811600000000 ] - [ 0.0000031700000000, 0.0000004100000000, 0.0000963300000000 ] - [ -0.0215332100000000, -0.0000472300000000, -0.0003599900000000 ] - [ 0.0000011900000000, 0.0000009000000000, -0.0003388200000000 ] - [ 0.0000003800000000, 0.0000009200000000, -0.0004843900000000 ] - [ 0.0000002900000000, 0.0000008900000000, -0.0000153500000000 ] - [ 0.0000000100000000, 0.0000009500000000, 0.0004052300000000 ] - [ -0.0000009900000000, 0.0000011500000000, 0.0000374100000000 ] - [ 0.0000002600000000, 0.0000010300000000, 0.0000731500000000 ] - [ -0.0001869200000000, 0.0000011200000000, 0.0004402500000000 ] - [ 0.0109584700000000, 0.0002055200000000, 0.0000701200000000 ] - [ 0.0000015300000000, 0.0000013200000000, 0.0003264700000000 ] - [ -0.0000737600000000, 0.0000017100000000, 0.0002129600000000 ] - [ -0.0000003500000000, 0.0000009300000000, 0.0000717700000000 ] - [ 0.0107393300000000, -0.0002032500000000, -0.0000307600000000 ] - [ -0.0000011900000000, 0.0000009300000000, -0.0007675000000000 ] - [ 0.0000009400000000, 0.0000008500000000, -0.0002054700000000 ] - [ -0.0000305900000000, 0.0000009900000000, -0.0000939000000000 ] - [ 0.0000000400000000, 0.0000010900000000, 0.0002366700000000 ] - [ -0.0000006300000000, 0.0000011600000000, 0.0006150900000000 ] - [ 0.0000007600000000, 0.0000011100000000, -0.0000724500000000 ] - [ 0.0000010400000000, 0.0000009300000000, 0.0007831200000000 ] - [ 0.0000023800000000, 0.0000017300000000, 0.0001927300000000 ] - [ -0.0000002300000000, 0.0000010000000000, -0.0001330300000000 ] - [ 0.0000013300000000, 0.0000012000000000, 0.0000467500000000 ] - [ 0.0000010300000000, 0.0000009500000000, -0.0002628500000000 ] - [ 0.0000008200000000, 0.0000010400000000, 0.0000774900000000 ] - [ 0.0000007400000000, 0.0000011700000000, 0.0001931700000000 ] - [ 0.0000012500000000, 0.0000010000000000, 0.0000722400000000 ] - [ -0.0000008600000000, 0.0000009200000000, -0.0000481200000000 ] - [ 0.0000005800000000, 0.0000007100000000, 0.0001969900000000 ] - [ 0.0000003500000000, 0.0000008800000000, 0.0002122900000000 ] - [ 0.0000012500000000, 0.0000009000000000, 0.0003666600000000 ] - [ 0.0000008800000000, 0.0000011300000000, 0.0003998100000000 ] - [ 0.0000016500000000, 0.0000008400000000, 0.0000168100000000 ] - [ 0.0000227800000000, 0.0000010400000000, 0.0001497000000000 ] - [ 0.0000002600000000, 0.0000010800000000, 0.0001395300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0006092700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004992600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000711400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004784900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008226000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004207600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003474400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001065200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004877400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006923800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0614721100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006364000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001116000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304701900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000373300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002264900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003244100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001045300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002425400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005528400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002202100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000997900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002252900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003457400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000975300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000827800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000769300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002783100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001585200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001592700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005665900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004937300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006912800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011023600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006977500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004975000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008557100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016242500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010690900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006870700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011253300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006684300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0607430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000429700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001868000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002826100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003309200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303843600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004749200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000910500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005343600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010762700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001604600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000297800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002476700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004911300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006950000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003119100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004563600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004369400000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000800000000, 0.0000000600000000, 0.0000226100000000 ] - [ 0.0000011500000000, -0.0000005500000000, 0.0001731300000000 ] - [ -0.0001877000000000, -0.0000021300000000, 0.0000961900000000 ] - [ 0.0000009300000000, -0.0000004000000000, -0.0000961100000000 ] - [ 0.0000007700000000, -0.0000006200000000, -0.0001065200000000 ] - [ -0.0000016900000000, 0.0000004000000000, -0.0005184900000000 ] - [ 0.0000008800000000, -0.0000004200000000, -0.0001088100000000 ] - [ 0.0000014200000000, -0.0000005100000000, 0.0000883200000000 ] - [ 0.0107331800000000, 0.0002050200000000, -0.0000093200000000 ] - [ 0.0000225700000000, 0.0000000000000000, -0.0002163000000000 ] - [ 0.0000001900000000, -0.0000000600000000, -0.0009842900000000 ] - [ -0.0000003100000000, -0.0000000100000000, -0.0004801100000000 ] - [ 0.0000007800000000, -0.0000001700000000, -0.0000982500000000 ] - [ 0.0000002500000000, -0.0000006100000000, -0.0005347700000000 ] - [ 0.0000010500000000, -0.0000005300000000, -0.0000801500000000 ] - [ 0.0000008200000000, -0.0000006900000000, 0.0000960600000000 ] - [ 0.0000009000000000, -0.0000005300000000, -0.0003706400000000 ] - [ -0.0121530800000000, -0.0001552400000000, -0.0000826000000000 ] - [ 0.0000015100000000, -0.0000001200000000, -0.0004841000000000 ] - [ 0.0000015000000000, -0.0000001600000000, -0.0000149800000000 ] - [ 0.0000004800000000, -0.0000000900000000, 0.0004030700000000 ] - [ 0.0008210300000000, -0.0000521800000000, 0.0000141700000000 ] - [ -0.0000007900000000, 0.0000000200000000, 0.0000708400000000 ] - [ -0.0000010600000000, 0.0000000100000000, 0.0004418200000000 ] - [ -0.0000001600000000, 0.0000000600000000, 0.0003169800000000 ] - [ -0.0000000600000000, 0.0000002800000000, 0.0003270600000000 ] - [ 0.0000014100000000, -0.0000002000000000, 0.0002119700000000 ] - [ 0.0000011500000000, -0.0000001000000000, 0.0000738400000000 ] - [ 0.0000013900000000, -0.0000000900000000, -0.0002774600000000 ] - [ 0.0000001600000000, -0.0000001100000000, -0.0007672700000000 ] - [ 0.0000010800000000, -0.0000001900000000, -0.0002056400000000 ] - [ 0.0000005800000000, -0.0000000200000000, -0.0000945700000000 ] - [ -0.0000718400000000, 0.0000000400000000, 0.0002371300000000 ] - [ -0.0000023300000000, 0.0000001300000000, 0.0006152900000000 ] - [ 0.0000007700000000, 0.0000000500000000, -0.0000734200000000 ] - [ -0.0000005600000000, -0.0000001200000000, 0.0007836300000000 ] - [ -0.0000001200000000, 0.0000001100000000, 0.0001954600000000 ] - [ 0.0000003300000000, -0.0000000600000000, -0.0001341300000000 ] - [ 0.0000003100000000, 0.0000001600000000, 0.0000469500000000 ] - [ 0.0008907600000000, 0.0000110200000000, -0.0002547800000000 ] - [ -0.0000003200000000, 0.0000000000000000, 0.0000782500000000 ] - [ 0.0000006100000000, 0.0000001400000000, 0.0001921800000000 ] - [ 0.0000008600000000, -0.0000000500000000, 0.0000742800000000 ] - [ 0.0000017400000000, -0.0000001100000000, -0.0000467500000000 ] - [ 0.0000010000000000, -0.0000003600000000, 0.0001963900000000 ] - [ 0.0000004900000000, -0.0000001600000000, 0.0002106100000000 ] - [ 0.0000008300000000, -0.0000001300000000, 0.0003667200000000 ] - [ -0.0000006000000000, 0.0000001200000000, 0.0003993300000000 ] - [ 0.0000010200000000, -0.0000002000000000, 0.0000173600000000 ] - [ -0.0000719600000000, -0.0000007500000000, 0.0001500300000000 ] - [ -0.0000012300000000, 0.0000000300000000, 0.0001397900000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002760400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000386600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003928600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004039800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004064400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002050700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005246100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012826200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007785600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008331900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003770800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002011500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006683900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423878300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003337100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001353600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005565100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100590500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002233200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004657900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002202700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001280600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006197900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000545300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003425000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014742700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002282700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003426100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002215400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003466200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005487500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003502700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002890100000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001536800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002190800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003849500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001967200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002139000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003935100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420831200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001664900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101664300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002911500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001811300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000784900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009130200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002407000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000346800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004697000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006352300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000435500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002794600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019512600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000738400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000455400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000784300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001982800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002527600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001351300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000522500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000112100000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001869100000000, -0.0000020800000000, 0.0000226900000000 ] - [ 0.0000014800000000, -0.0000005500000000, 0.0001738600000000 ] - [ 0.0000225900000000, 0.0000000200000000, 0.0000943500000000 ] - [ 0.0000008500000000, -0.0000004200000000, -0.0000955000000000 ] - [ 0.0000012200000000, -0.0000006300000000, -0.0001072300000000 ] - [ -0.0000007900000000, 0.0000004200000000, -0.0005161500000000 ] - [ 0.0000012000000000, -0.0000005300000000, -0.0001094700000000 ] - [ 0.0000007900000000, -0.0000005100000000, 0.0000904900000000 ] - [ 0.0000008700000000, -0.0000005500000000, 0.0002300800000000 ] - [ 0.0000002900000000, -0.0000000700000000, -0.0002170900000000 ] - [ -0.0000003400000000, -0.0000000400000000, -0.0009853100000000 ] - [ 0.0000007900000000, -0.0000000400000000, -0.0004809800000000 ] - [ 0.0000010100000000, 0.0000004600000000, -0.0000980000000000 ] - [ 0.0000008000000000, -0.0000005600000000, -0.0005355000000000 ] - [ 0.0107309600000000, 0.0002050600000000, -0.0003213100000000 ] - [ 0.0000010200000000, -0.0000006400000000, 0.0000965500000000 ] - [ 0.0000003900000000, -0.0000005600000000, -0.0003713200000000 ] - [ 0.0000014300000000, -0.0000001500000000, -0.0003386200000000 ] - [ -0.0121518200000000, -0.0001557100000000, -0.0002299200000000 ] - [ 0.0000015400000000, -0.0000001600000000, -0.0000152100000000 ] - [ 0.0000001300000000, -0.0000000900000000, 0.0004053700000000 ] - [ -0.0000000900000000, 0.0000001100000000, 0.0000376200000000 ] - [ -0.0000005900000000, 0.0000000100000000, 0.0000733200000000 ] - [ -0.0000000200000000, 0.0000000200000000, 0.0004409600000000 ] - [ 0.0000008400000000, 0.0000000800000000, 0.0003175700000000 ] - [ 0.0000004100000000, 0.0000002700000000, 0.0003267600000000 ] - [ 0.0000006700000000, -0.0000000600000000, 0.0002129900000000 ] - [ 0.0000012600000000, -0.0000001100000000, 0.0000719700000000 ] - [ 0.0000017700000000, -0.0000001000000000, -0.0002780300000000 ] - [ 0.0008865700000000, 0.0000109700000000, -0.0007592600000000 ] - [ 0.0000015200000000, -0.0000001800000000, -0.0002053600000000 ] - [ 0.0000002800000000, -0.0000000200000000, -0.0000937100000000 ] - [ -0.0000717700000000, -0.0000007200000000, 0.0002365600000000 ] - [ 0.0008204100000000, -0.0000521600000000, 0.0005921000000000 ] - [ 0.0000006000000000, 0.0000000600000000, -0.0000723000000000 ] - [ -0.0000005200000000, -0.0000001200000000, 0.0007832700000000 ] - [ 0.0000005200000000, 0.0000000900000000, 0.0001940900000000 ] - [ -0.0000001100000000, -0.0000000500000000, -0.0001328800000000 ] - [ -0.0000022300000000, 0.0000001900000000, 0.0000469800000000 ] - [ 0.0000014800000000, -0.0000002500000000, -0.0002631900000000 ] - [ -0.0000012200000000, 0.0000000000000000, 0.0000776000000000 ] - [ 0.0000006400000000, 0.0000001200000000, 0.0001934100000000 ] - [ 0.0000012100000000, -0.0000000400000000, 0.0000724300000000 ] - [ 0.0000012300000000, -0.0000001100000000, -0.0000479200000000 ] - [ 0.0000010600000000, -0.0000003300000000, 0.0001971100000000 ] - [ 0.0000009500000000, -0.0000001600000000, 0.0002124800000000 ] - [ 0.0000002300000000, -0.0000001400000000, 0.0003669300000000 ] - [ -0.0000001100000000, 0.0000000900000000, 0.0004000400000000 ] - [ 0.0000000100000000, -0.0000002000000000, 0.0000169300000000 ] - [ -0.0000010500000000, 0.0000000400000000, 0.0001499200000000 ] - [ -0.0000714600000000, 0.0000000300000000, 0.0001398000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002122500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003937500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004030200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008137700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004048600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005135300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012819700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007771300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003926000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008318200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300162600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002009300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006683400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001848700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425350200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001402300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005537600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002210700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005923800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004645100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004691300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009561100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000494700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000528500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004411200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000750500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001898200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001235000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003381200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005091800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005454200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001719600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003457000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000824900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004709000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002017500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001882200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002198600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003855100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000791500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006888300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002394900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304095500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003928800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001090400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000747300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002906900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001699900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001801400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000656800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000793600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004283900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024465200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003560400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002406900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000350600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095865500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006352500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000431300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002792900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000726700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000448700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000786700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000480000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000637100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001334700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000003800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000620200000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000226000000000, 0.0000000700000000, 0.0000216700000000 ] - [ 0.0000019100000000, -0.0000005300000000, 0.0001721500000000 ] - [ 0.0000002400000000, -0.0000000500000000, 0.0000944800000000 ] - [ 0.0000010800000000, -0.0000004100000000, -0.0000954800000000 ] - [ 0.0000010900000000, -0.0000006100000000, -0.0001072000000000 ] - [ -0.0000019000000000, 0.0000004400000000, -0.0005161400000000 ] - [ 0.0107443000000000, 0.0002053000000000, -0.0003499100000000 ] - [ 0.0000009400000000, -0.0000004800000000, 0.0000905000000000 ] - [ 0.0000003000000000, -0.0000005300000000, 0.0002301200000000 ] - [ -0.0000003900000000, -0.0000000400000000, -0.0002170600000000 ] - [ 0.0000006500000000, -0.0000000200000000, -0.0009852900000000 ] - [ -0.0000002000000000, -0.0000000100000000, -0.0004809600000000 ] - [ -0.0001897400000000, -0.0000021700000000, -0.0000982100000000 ] - [ 0.0000011000000000, -0.0000005300000000, -0.0005354800000000 ] - [ 0.0000007700000000, -0.0000005000000000, -0.0000809300000000 ] - [ 0.0000008100000000, -0.0000006200000000, 0.0000965900000000 ] - [ 0.0000008300000000, -0.0000005300000000, -0.0003712900000000 ] - [ 0.0000016900000000, -0.0000001200000000, -0.0003388200000000 ] - [ 0.0000013700000000, -0.0000001100000000, -0.0004844300000000 ] - [ -0.0121754700000000, -0.0001567400000000, 0.0002406600000000 ] - [ 0.0000004500000000, -0.0000000600000000, 0.0004056000000000 ] - [ 0.0000007900000000, 0.0000001300000000, 0.0000378400000000 ] - [ -0.0000002400000000, 0.0000000300000000, 0.0000735600000000 ] - [ 0.0000004800000000, 0.0000000500000000, 0.0004407700000000 ] - [ 0.0000005500000000, 0.0000001100000000, 0.0003177900000000 ] - [ -0.0000017600000000, 0.0000003700000000, 0.0003271700000000 ] - [ 0.0000002400000000, -0.0000000400000000, 0.0002132100000000 ] - [ 0.0000010900000000, -0.0000000900000000, 0.0000718100000000 ] - [ 0.0000011400000000, -0.0000000800000000, -0.0002782200000000 ] - [ 0.0000013800000000, -0.0000002300000000, -0.0007675600000000 ] - [ 0.0000014100000000, -0.0000001500000000, -0.0002055500000000 ] - [ -0.0000002500000000, 0.0000000000000000, -0.0000935100000000 ] - [ -0.0000011300000000, 0.0000000800000000, 0.0002366500000000 ] - [ -0.0000001700000000, 0.0000001500000000, 0.0006155400000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0000720900000000 ] - [ 0.0000000300000000, -0.0000000800000000, 0.0007831300000000 ] - [ 0.0000007700000000, 0.0000001200000000, 0.0001939300000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0001326700000000 ] - [ 0.0008217400000000, -0.0000521200000000, 0.0000239900000000 ] - [ 0.0000006100000000, -0.0000000700000000, -0.0002624100000000 ] - [ -0.0000726300000000, 0.0000000200000000, 0.0000774900000000 ] - [ -0.0000000300000000, 0.0000001600000000, 0.0001936900000000 ] - [ 0.0000011600000000, -0.0000000200000000, 0.0000722500000000 ] - [ 0.0000012000000000, -0.0000000900000000, -0.0000481100000000 ] - [ 0.0000013800000000, -0.0000003000000000, 0.0001970100000000 ] - [ 0.0000008600000000, -0.0000001400000000, 0.0002126900000000 ] - [ 0.0009020000000000, 0.0000111200000000, 0.0003751900000000 ] - [ 0.0000002400000000, 0.0000001100000000, 0.0004002600000000 ] - [ -0.0000010300000000, -0.0000001700000000, 0.0000167300000000 ] - [ -0.0000001300000000, 0.0000000600000000, 0.0001497100000000 ] - [ -0.0000722400000000, -0.0000007100000000, 0.0001391300000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001245100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003922600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299859100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002048100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000665600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012811000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001515600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008313700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003773300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006678200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001881700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421121800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005556400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001859300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002222200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004663800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001278500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000540400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007616700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000756900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009313500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003448000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000151700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001149900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002840300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003401500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001032200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003466900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021264400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001684900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002997700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003430800000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003280000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004679500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002007100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002202100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304354900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003851700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005268400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000796100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006893700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000419900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002153500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003938100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000751500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004875300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002560700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001794100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000655000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000777100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004272000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002406300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000887800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004674700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002193800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006365800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002793700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101645600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001223800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000438200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002501900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000600900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002300000000, 0.0000000700000000, 0.0000220500000000 ] - [ 0.0000006500000000, -0.0000004200000000, 0.0001741700000000 ] - [ -0.0000014200000000, 0.0000000500000000, 0.0000947500000000 ] - [ 0.0000011000000000, -0.0000003000000000, -0.0000952100000000 ] - [ 0.0109515200000000, -0.0002041300000000, 0.0001339900000000 ] - [ -0.0000018800000000, 0.0000005300000000, -0.0005158400000000 ] - [ 0.0000009700000000, -0.0000003900000000, -0.0001091800000000 ] - [ -0.0002780900000000, -0.0000005300000000, 0.0000877100000000 ] - [ 0.0000004800000000, -0.0000004200000000, 0.0002303800000000 ] - [ 0.0000002600000000, 0.0000000600000000, -0.0002167800000000 ] - [ -0.0000008100000000, 0.0000000800000000, -0.0009850100000000 ] - [ -0.0000296400000000, -0.0000001400000000, -0.0004805800000000 ] - [ -0.0000005200000000, -0.0000000100000000, -0.0000988600000000 ] - [ 0.0000003900000000, -0.0000004300000000, -0.0005352000000000 ] - [ 0.0000008900000000, -0.0000004000000000, -0.0000806600000000 ] - [ 0.0000015500000000, 0.0000000800000000, 0.0000957100000000 ] - [ 0.0000000700000000, -0.0000004300000000, -0.0003710200000000 ] - [ 0.0000005300000000, -0.0000000200000000, -0.0003386400000000 ] - [ 0.0000002300000000, 0.0000000000000000, -0.0004842300000000 ] - [ 0.0000005100000000, -0.0000000200000000, -0.0000152000000000 ] - [ -0.0127355000000000, 0.0001444300000000, 0.0001528600000000 ] - [ 0.0000006300000000, 0.0000002400000000, 0.0000376100000000 ] - [ -0.0000449200000000, 0.0000005900000000, 0.0000726200000000 ] - [ -0.0000000100000000, 0.0000001500000000, 0.0004409200000000 ] - [ 0.0000011700000000, 0.0000002200000000, 0.0003175700000000 ] - [ -0.0000004200000000, 0.0000004000000000, 0.0003266900000000 ] - [ 0.0000000800000000, 0.0000000600000000, 0.0002129800000000 ] - [ 0.0008148000000000, 0.0000520800000000, 0.0000955900000000 ] - [ 0.0000007100000000, 0.0000000200000000, -0.0002780700000000 ] - [ -0.0000004300000000, 0.0000000200000000, -0.0007672900000000 ] - [ 0.0000005200000000, -0.0000000500000000, -0.0002053300000000 ] - [ 0.0000003600000000, 0.0000001100000000, -0.0000937200000000 ] - [ -0.0000010100000000, 0.0000001700000000, 0.0002368500000000 ] - [ 0.0000006800000000, 0.0000002500000000, 0.0006152800000000 ] - [ 0.0000015000000000, 0.0000001800000000, -0.0000722900000000 ] - [ 0.0000011200000000, 0.0000000500000000, 0.0007833100000000 ] - [ 0.0000011100000000, 0.0000001200000000, 0.0001946100000000 ] - [ 0.0000876700000000, 0.0000007000000000, -0.0001325600000000 ] - [ 0.0000006400000000, 0.0000002900000000, 0.0000469400000000 ] - [ -0.0000002600000000, 0.0000000300000000, -0.0002626600000000 ] - [ -0.0000005800000000, 0.0000001300000000, 0.0000776200000000 ] - [ 0.0000009900000000, 0.0000002600000000, 0.0001933600000000 ] - [ 0.0012264000000000, 0.0000060600000000, 0.0000597900000000 ] - [ -0.0000001500000000, 0.0000000100000000, -0.0000479700000000 ] - [ -0.0000001400000000, -0.0000002100000000, 0.0001971300000000 ] - [ 0.0000012500000000, -0.0000000300000000, 0.0002124500000000 ] - [ -0.0000004900000000, 0.0000000000000000, 0.0003668700000000 ] - [ -0.0000014700000000, 0.0000002200000000, 0.0004000000000000 ] - [ 0.0000001600000000, -0.0000000700000000, 0.0000169400000000 ] - [ -0.0000004700000000, 0.0000001600000000, 0.0001498800000000 ] - [ -0.0000009400000000, 0.0000001600000000, 0.0001396600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001217700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003912300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302735600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008108000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004037800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000641400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005110100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012796800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007940900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008302200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003358400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420969100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002617800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005895300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004639200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004726000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003590900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102872300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001292400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006222800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000561600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003846200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007628200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000748300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003377900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002255600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003409900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018526100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001000000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003609000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005118500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001650900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002876400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003175700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004698600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003916100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002005500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302584400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006897700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001677700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001958300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002397700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003895700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001599200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001114200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002930400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001695000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001758300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099604700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004257800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003499900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002413300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000910300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004639900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006353900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001047400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004111200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000658400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000409800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017590000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000531900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000627100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002166600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002491900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001274700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000050000000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007500000000, 0.0000002000000000, 0.0000227100000000 ] - [ 0.0000011900000000, -0.0000004200000000, 0.0001732900000000 ] - [ -0.0000302900000000, -0.0000001700000000, 0.0000954200000000 ] - [ 0.0000004500000000, -0.0000002800000000, -0.0000960000000000 ] - [ 0.0000006700000000, -0.0000004900000000, -0.0001064100000000 ] - [ -0.0000010600000000, 0.0000005300000000, -0.0005183400000000 ] - [ 0.0000001200000000, -0.0000002900000000, -0.0001086900000000 ] - [ 0.0000009200000000, -0.0000003800000000, 0.0000884500000000 ] - [ 0.0109588200000000, -0.0002041100000000, 0.0004718500000000 ] - [ -0.0000748600000000, -0.0000015300000000, -0.0002190100000000 ] - [ -0.0000000600000000, 0.0000000700000000, -0.0009841700000000 ] - [ -0.0000012800000000, 0.0000001100000000, -0.0004799600000000 ] - [ 0.0000003500000000, -0.0000000400000000, -0.0000981600000000 ] - [ 0.0000005500000000, -0.0000004800000000, -0.0005346600000000 ] - [ 0.0000004200000000, -0.0000003800000000, -0.0000800500000000 ] - [ 0.0000009900000000, -0.0000005600000000, 0.0000962300000000 ] - [ 0.0000010300000000, -0.0000004000000000, -0.0003705200000000 ] - [ 0.0008209000000000, 0.0000520500000000, -0.0003153700000000 ] - [ -0.0000001400000000, 0.0000000100000000, -0.0004842900000000 ] - [ 0.0000007100000000, -0.0000000300000000, -0.0000151900000000 ] - [ 0.0000005100000000, 0.0000000500000000, 0.0004028000000000 ] - [ -0.0127585800000000, 0.0001445400000000, -0.0002059800000000 ] - [ 0.0000005100000000, 0.0000001400000000, 0.0000705700000000 ] - [ -0.0000003500000000, 0.0000001400000000, 0.0004416600000000 ] - [ 0.0000016700000000, 0.0000001800000000, 0.0003167700000000 ] - [ 0.0000007100000000, 0.0000004200000000, 0.0003269100000000 ] - [ 0.0000902500000000, -0.0000001500000000, 0.0002115400000000 ] - [ -0.0000002500000000, 0.0000000200000000, 0.0000737200000000 ] - [ -0.0000022700000000, 0.0000000300000000, -0.0002775700000000 ] - [ 0.0000003600000000, 0.0000000200000000, -0.0007674400000000 ] - [ 0.0000004900000000, -0.0000000600000000, -0.0002058600000000 ] - [ 0.0000004600000000, 0.0000001000000000, -0.0000948000000000 ] - [ 0.0000007200000000, 0.0000000800000000, 0.0002373500000000 ] - [ 0.0000015300000000, 0.0000002200000000, 0.0006151200000000 ] - [ 0.0000009400000000, 0.0000001900000000, -0.0000736600000000 ] - [ -0.0000006400000000, 0.0000000200000000, 0.0007834500000000 ] - [ 0.0000002400000000, 0.0000002400000000, 0.0001953100000000 ] - [ 0.0000003800000000, 0.0000000600000000, -0.0001343700000000 ] - [ 0.0000012200000000, 0.0000002900000000, 0.0000467900000000 ] - [ 0.0000902100000000, 0.0000006500000000, -0.0002626500000000 ] - [ -0.0000004800000000, 0.0000001400000000, 0.0000780500000000 ] - [ 0.0000003100000000, 0.0000002800000000, 0.0001919600000000 ] - [ 0.0000006000000000, 0.0000000800000000, 0.0000741300000000 ] - [ 0.0000002300000000, 0.0000000100000000, -0.0000469000000000 ] - [ 0.0000001400000000, -0.0000002300000000, 0.0001961600000000 ] - [ 0.0000008900000000, -0.0000000300000000, 0.0002103600000000 ] - [ 0.0000000300000000, -0.0000000100000000, 0.0003665700000000 ] - [ 0.0000006600000000, 0.0000002500000000, 0.0003991200000000 ] - [ -0.0000007600000000, -0.0000000700000000, 0.0000171700000000 ] - [ 0.0008916000000000, 0.0000088300000000, 0.0001369700000000 ] - [ -0.0000000200000000, 0.0000001600000000, 0.0001396000000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002161400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003880700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003975100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004012100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002002600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012768300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007725300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003905500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003727600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001953600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006626300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098661200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003376600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005530600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002216100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005867500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004635700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004710800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006224400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000570600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003788000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007610900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000735900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009275000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003403400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001914200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002251500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003400000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002186000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003421400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003606300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005110600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001632800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018405900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002869300000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001978100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001839600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002243900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001830600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003820000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002386500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006932000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001887000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002433500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003895400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103604900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000733500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002929500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001729700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001826600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000290000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009108900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002381300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004705400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006373300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000454500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002772200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000968700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000712500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000475600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000503500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015918000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000094900000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003800000000, 0.0000000800000000, 0.0000216300000000 ] - [ 0.0000010300000000, -0.0000002400000000, 0.0001731500000000 ] - [ -0.0000012700000000, 0.0000000500000000, 0.0000943300000000 ] - [ 0.0000004800000000, -0.0000003000000000, -0.0000956400000000 ] - [ 0.0000088300000000, -0.0000009500000000, -0.0001072500000000 ] - [ -0.0001898000000000, 0.0000026100000000, -0.0005172800000000 ] - [ 0.0000007000000000, -0.0000003900000000, -0.0001096000000000 ] - [ 0.0107644600000000, -0.0002065300000000, 0.0003311100000000 ] - [ 0.0000011300000000, -0.0000004200000000, 0.0002299600000000 ] - [ -0.0000002600000000, 0.0000000600000000, -0.0002172000000000 ] - [ 0.0000007500000000, 0.0000000900000000, -0.0009854300000000 ] - [ -0.0000000200000000, 0.0000000900000000, -0.0004811100000000 ] - [ -0.0000013800000000, -0.0000000100000000, -0.0000992600000000 ] - [ 0.0000008000000000, -0.0000004300000000, -0.0005356300000000 ] - [ 0.0000004200000000, -0.0000004000000000, -0.0000810800000000 ] - [ 0.0000008000000000, -0.0000005000000000, 0.0000964300000000 ] - [ 0.0000003900000000, -0.0000004300000000, -0.0003714500000000 ] - [ -0.0000007500000000, -0.0000000300000000, -0.0003388900000000 ] - [ -0.0000006200000000, -0.0000000100000000, -0.0004845100000000 ] - [ -0.0000002000000000, -0.0000000300000000, -0.0000155300000000 ] - [ -0.0000450600000000, 0.0000013600000000, 0.0004058900000000 ] - [ 0.0000002200000000, 0.0000002400000000, 0.0000378300000000 ] - [ -0.0121668700000000, 0.0001618800000000, -0.0001778800000000 ] - [ 0.0000004500000000, 0.0000001700000000, 0.0004407000000000 ] - [ -0.0000003700000000, 0.0000002200000000, 0.0003177900000000 ] - [ 0.0000010200000000, 0.0000004100000000, 0.0003270200000000 ] - [ -0.0000004500000000, 0.0000000700000000, 0.0002132000000000 ] - [ -0.0000062400000000, -0.0000000400000000, 0.0000711800000000 ] - [ -0.0000002600000000, 0.0000000200000000, -0.0002783000000000 ] - [ -0.0000005100000000, 0.0000000200000000, -0.0007670200000000 ] - [ 0.0000001800000000, -0.0000000400000000, -0.0002056500000000 ] - [ -0.0000009200000000, 0.0000001100000000, -0.0000935100000000 ] - [ -0.0000001900000000, 0.0000001800000000, 0.0002365700000000 ] - [ 0.0000005200000000, 0.0000002500000000, 0.0006155300000000 ] - [ -0.0000013900000000, 0.0000001900000000, -0.0000721100000000 ] - [ 0.0008958000000000, -0.0000111500000000, 0.0007750400000000 ] - [ -0.0000006800000000, 0.0000002100000000, 0.0001938600000000 ] - [ -0.0000013800000000, 0.0000001000000000, -0.0001326900000000 ] - [ 0.0000005900000000, 0.0000002900000000, 0.0000472400000000 ] - [ -0.0000004900000000, 0.0000000400000000, -0.0002624200000000 ] - [ 0.0000001700000000, 0.0000001400000000, 0.0000772500000000 ] - [ -0.0000014800000000, 0.0000002600000000, 0.0001937100000000 ] - [ 0.0008152500000000, 0.0000525300000000, 0.0000956100000000 ] - [ 0.0000002400000000, 0.0000000200000000, -0.0000481700000000 ] - [ -0.0000023900000000, -0.0000002300000000, 0.0001969400000000 ] - [ -0.0000720400000000, -0.0000000200000000, 0.0002125400000000 ] - [ 0.0000001000000000, -0.0000000100000000, 0.0003671900000000 ] - [ 0.0000008700000000, 0.0000002100000000, 0.0004002800000000 ] - [ -0.0000001700000000, -0.0000000700000000, 0.0000166400000000 ] - [ 0.0000002000000000, 0.0000001700000000, 0.0001496300000000 ] - [ 0.0000001900000000, 0.0000001700000000, 0.0001393800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001221400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002013700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003911100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004116500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005754300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004028900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000634800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005112000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012792500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003751700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006659900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003371100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423593800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005896600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003593200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006199700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003841400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007641300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003421300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000138800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002243300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003429700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102901400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004134800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005152800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001627900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002871100000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002005800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001979000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004622700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001846100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000782500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006903700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001859900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001967500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002397900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004880800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006334400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421470400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002900600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001720800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000682700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000788000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004277800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009127700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002386300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000872700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004677900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002775900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000994600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000720600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000462800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001985400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000515300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000125100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000103000000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001000000000, -0.0000000200000000, 0.0000217700000000 ] - [ 0.0000016100000000, -0.0000005200000000, 0.0001738800000000 ] - [ -0.0000000200000000, -0.0000000400000000, 0.0000944800000000 ] - [ 0.0000012600000000, -0.0000003900000000, -0.0000954900000000 ] - [ 0.0000011300000000, -0.0000006000000000, -0.0001072000000000 ] - [ -0.0000002400000000, 0.0000004400000000, -0.0005161100000000 ] - [ 0.0000011900000000, -0.0000004900000000, -0.0001094600000000 ] - [ 0.0000002600000000, -0.0000004800000000, 0.0000905200000000 ] - [ 0.0000018300000000, -0.0000011200000000, 0.0002312600000000 ] - [ 0.0000002600000000, -0.0000000200000000, -0.0002170500000000 ] - [ 0.0107447800000000, -0.0002058100000000, -0.0012258000000000 ] - [ 0.0000000400000000, -0.0000000100000000, -0.0004809500000000 ] - [ -0.0000000800000000, -0.0000001100000000, -0.0000991400000000 ] - [ 0.0000234100000000, -0.0000006200000000, -0.0005355900000000 ] - [ 0.0000015600000000, -0.0000004900000000, -0.0000809400000000 ] - [ 0.0000007800000000, -0.0000006100000000, 0.0000965800000000 ] - [ -0.0001876000000000, 0.0000015400000000, -0.0003702800000000 ] - [ -0.0000009200000000, -0.0000001200000000, -0.0003386000000000 ] - [ 0.0000000500000000, -0.0000001000000000, -0.0004841800000000 ] - [ 0.0000011200000000, -0.0000001300000000, -0.0000151500000000 ] - [ 0.0000001600000000, -0.0000000600000000, 0.0004054300000000 ] - [ -0.0000001500000000, 0.0000001400000000, 0.0000376500000000 ] - [ 0.0000005400000000, 0.0000000200000000, 0.0000733700000000 ] - [ -0.0121753400000000, 0.0001674000000000, 0.0006942200000000 ] - [ 0.0008946500000000, -0.0000110400000000, 0.0003255800000000 ] - [ 0.0000002700000000, 0.0000003000000000, 0.0003267100000000 ] - [ -0.0000019200000000, -0.0000000700000000, 0.0002130200000000 ] - [ -0.0000007500000000, -0.0000000800000000, 0.0000719800000000 ] - [ -0.0000717400000000, -0.0000000600000000, -0.0002778800000000 ] - [ 0.0000002500000000, -0.0000000800000000, -0.0007672600000000 ] - [ 0.0000011900000000, -0.0000001500000000, -0.0002052700000000 ] - [ 0.0008222200000000, 0.0000523200000000, -0.0001169100000000 ] - [ 0.0000012000000000, 0.0000000800000000, 0.0002368800000000 ] - [ 0.0000005200000000, 0.0000001500000000, 0.0006153200000000 ] - [ 0.0000010400000000, 0.0000002500000000, -0.0000727900000000 ] - [ 0.0000000100000000, -0.0000000800000000, 0.0007833100000000 ] - [ 0.0000010900000000, 0.0000001100000000, 0.0001940900000000 ] - [ 0.0000003200000000, -0.0000000100000000, -0.0001328300000000 ] - [ 0.0000004900000000, 0.0000001900000000, 0.0000469700000000 ] - [ 0.0000006900000000, -0.0000000700000000, -0.0002626200000000 ] - [ 0.0000007800000000, 0.0000000300000000, 0.0000776800000000 ] - [ -0.0000005400000000, 0.0000001600000000, 0.0001933900000000 ] - [ 0.0000018000000000, -0.0000000100000000, 0.0000724300000000 ] - [ -0.0000717400000000, 0.0000007100000000, -0.0000482600000000 ] - [ 0.0000010800000000, -0.0000003000000000, 0.0001971800000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0002125100000000 ] - [ -0.0000001800000000, -0.0000001100000000, 0.0003669100000000 ] - [ 0.0000005200000000, 0.0000001100000000, 0.0004000300000000 ] - [ 0.0000007500000000, -0.0000001700000000, 0.0000169900000000 ] - [ 0.0000012100000000, 0.0000000600000000, 0.0001499200000000 ] - [ 0.0000008200000000, 0.0000000700000000, 0.0001397200000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002738200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003933700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004032800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002063200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000632500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0291148500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003950300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008417700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003772800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004251500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001856000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002230200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0416513100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003608200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006217800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000491600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099334300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007626300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000698500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003448100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000153200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001921200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001149300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002334000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003383800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001535300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003484000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005100000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005476500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001713400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002999000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002919400000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004707900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001887900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001867300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000780800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0313150400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001967800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002291400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002153200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003939200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003129900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006332600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001648500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001092000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000754100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0428698000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013812200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000666000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000768600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004789800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009143700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003558500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103030500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006356500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000428900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001012700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004099000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000449700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002491500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000490200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000639800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002197700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002505900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000096200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001900000000, 0.0000001900000000, 0.0000227600000000 ] - [ 0.0000002400000000, -0.0000004200000000, 0.0001733300000000 ] - [ -0.0000008800000000, 0.0000000500000000, 0.0000953700000000 ] - [ 0.0000007900000000, -0.0000002800000000, -0.0000959300000000 ] - [ 0.0000004500000000, -0.0000004900000000, -0.0001063700000000 ] - [ -0.0000010100000000, 0.0000005300000000, -0.0005183100000000 ] - [ 0.0000004500000000, -0.0000002900000000, -0.0001086400000000 ] - [ 0.0000010000000000, -0.0000003900000000, 0.0000885200000000 ] - [ 0.0000003900000000, -0.0000004700000000, 0.0002311900000000 ] - [ -0.0000305100000000, -0.0000002000000000, -0.0002159600000000 ] - [ -0.0000752900000000, -0.0000015000000000, -0.0009870700000000 ] - [ -0.0000000400000000, 0.0000001100000000, -0.0004799300000000 ] - [ -0.0000014500000000, -0.0000000400000000, -0.0000981000000000 ] - [ 0.0000007900000000, -0.0000004700000000, -0.0005346100000000 ] - [ -0.0000001100000000, -0.0000003800000000, -0.0000800100000000 ] - [ 0.0000009000000000, -0.0000005600000000, 0.0000962400000000 ] - [ 0.0109573700000000, -0.0002040100000000, -0.0001297700000000 ] - [ -0.0000002900000000, -0.0000000200000000, -0.0003385300000000 ] - [ 0.0000006200000000, 0.0000000100000000, -0.0004842400000000 ] - [ 0.0000004200000000, -0.0000000300000000, -0.0000151300000000 ] - [ 0.0000007600000000, 0.0000000500000000, 0.0004029000000000 ] - [ 0.0000014700000000, 0.0000002300000000, 0.0000372600000000 ] - [ -0.0000006900000000, 0.0000001400000000, 0.0000706700000000 ] - [ 0.0008943800000000, 0.0000088400000000, 0.0004284800000000 ] - [ -0.0127533100000000, 0.0001445100000000, 0.0000713100000000 ] - [ 0.0000006700000000, 0.0000004100000000, 0.0003269400000000 ] - [ 0.0000904600000000, 0.0000007000000000, 0.0002126700000000 ] - [ 0.0000001000000000, 0.0000000300000000, 0.0000737200000000 ] - [ 0.0008209400000000, 0.0000521100000000, -0.0002543900000000 ] - [ -0.0000000600000000, 0.0000000200000000, -0.0007673900000000 ] - [ 0.0000000900000000, -0.0000000600000000, -0.0002058000000000 ] - [ 0.0000903500000000, -0.0000001300000000, -0.0000955100000000 ] - [ -0.0000001800000000, 0.0000001700000000, 0.0002368400000000 ] - [ 0.0000010700000000, 0.0000002300000000, 0.0006151600000000 ] - [ 0.0000015500000000, 0.0000001800000000, -0.0000735900000000 ] - [ -0.0000005000000000, 0.0000000100000000, 0.0007834900000000 ] - [ -0.0000005100000000, 0.0000002300000000, 0.0001953200000000 ] - [ 0.0000004700000000, 0.0000000600000000, -0.0001343000000000 ] - [ 0.0000005500000000, 0.0000002900000000, 0.0000468200000000 ] - [ 0.0000003200000000, 0.0000000300000000, -0.0002629000000000 ] - [ -0.0000011100000000, 0.0000001300000000, 0.0000780900000000 ] - [ 0.0000005100000000, 0.0000002700000000, 0.0001920300000000 ] - [ 0.0000005300000000, 0.0000000800000000, 0.0000741400000000 ] - [ -0.0000023600000000, 0.0000000000000000, -0.0000468300000000 ] - [ 0.0000003200000000, -0.0000002300000000, 0.0001962300000000 ] - [ 0.0000008000000000, -0.0000000300000000, 0.0002104500000000 ] - [ -0.0000004300000000, -0.0000000100000000, 0.0003666100000000 ] - [ 0.0000004600000000, 0.0000002500000000, 0.0003991800000000 ] - [ -0.0000008200000000, -0.0000000700000000, 0.0000172000000000 ] - [ 0.0000006600000000, 0.0000000500000000, 0.0001507600000000 ] - [ -0.0000005500000000, 0.0000001600000000, 0.0001396400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002694800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001970000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003874600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003983600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005277200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009689800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003925300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008269100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001957400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300030600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003370200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001328700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005537700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002214700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021379600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004723500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003969400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099271800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006221900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000900600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003832700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007608300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000742700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009275000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001918600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003407600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002181100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000970200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003428000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003599300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005107000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005474600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002913000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002863500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004666800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002250600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001826700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003820500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005223800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010097800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001888100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001946300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002435400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002116600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003900000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006322900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013066800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424658600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001804900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000298900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000752600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009119300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003527000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002782600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000888000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004702000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002174100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006377600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000693000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000455500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002228600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002528100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001297900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000079200000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001100000000, 0.0000000700000000, 0.0000220300000000 ] - [ 0.0000069000000000, -0.0000008600000000, 0.0001742200000000 ] - [ -0.0000013800000000, 0.0000000500000000, 0.0000947400000000 ] - [ 0.0109620400000000, -0.0002037800000000, 0.0001453500000000 ] - [ 0.0000003100000000, -0.0000005100000000, -0.0001069500000000 ] - [ -0.0000008200000000, 0.0000005400000000, -0.0005158600000000 ] - [ 0.0000009400000000, -0.0000003900000000, -0.0001092000000000 ] - [ -0.0000000200000000, -0.0000003800000000, 0.0000907600000000 ] - [ 0.0000006700000000, -0.0000004200000000, 0.0002303700000000 ] - [ -0.0000003600000000, 0.0000000600000000, -0.0002168000000000 ] - [ -0.0000013200000000, 0.0000000800000000, -0.0009850300000000 ] - [ -0.0000002200000000, 0.0000000900000000, -0.0004806900000000 ] - [ -0.0000741800000000, -0.0000015700000000, -0.0001018500000000 ] - [ 0.0000010200000000, -0.0000004400000000, -0.0005352200000000 ] - [ 0.0000005400000000, -0.0000004000000000, -0.0000806800000000 ] - [ 0.0000006500000000, -0.0000005200000000, 0.0000968300000000 ] - [ 0.0000002800000000, -0.0000004400000000, -0.0003710300000000 ] - [ -0.0000003000000000, -0.0000000200000000, -0.0003386700000000 ] - [ 0.0000001700000000, 0.0000000000000000, -0.0004842700000000 ] - [ -0.0000018300000000, -0.0000000900000000, -0.0000153900000000 ] - [ -0.0000004800000000, 0.0000000400000000, 0.0004053500000000 ] - [ 0.0000005500000000, 0.0000002300000000, 0.0000376000000000 ] - [ 0.0000010500000000, 0.0000001300000000, 0.0000732900000000 ] - [ -0.0000001100000000, 0.0000001500000000, 0.0004409100000000 ] - [ 0.0000005200000000, 0.0000002200000000, 0.0003175500000000 ] - [ -0.0127530700000000, 0.0001450000000000, 0.0000756500000000 ] - [ -0.0000005600000000, 0.0000000600000000, 0.0002129600000000 ] - [ -0.0000002100000000, 0.0000000200000000, 0.0000719300000000 ] - [ -0.0000006800000000, 0.0000000100000000, -0.0002780900000000 ] - [ 0.0000004200000000, 0.0000000200000000, -0.0007672800000000 ] - [ 0.0009164500000000, 0.0000512700000000, -0.0001822000000000 ] - [ -0.0000005000000000, 0.0000001100000000, -0.0000937400000000 ] - [ 0.0000001800000000, 0.0000001800000000, 0.0002368100000000 ] - [ 0.0000008900000000, 0.0000002500000000, 0.0006152900000000 ] - [ 0.0000001900000000, 0.0000001900000000, -0.0000723200000000 ] - [ -0.0000000800000000, 0.0000000100000000, 0.0007832200000000 ] - [ 0.0000001700000000, 0.0000002200000000, 0.0001940500000000 ] - [ -0.0000004300000000, 0.0000000900000000, -0.0001329000000000 ] - [ 0.0000016700000000, 0.0000002800000000, 0.0000469600000000 ] - [ 0.0000002700000000, 0.0000000300000000, -0.0002626700000000 ] - [ 0.0008954300000000, 0.0000088200000000, 0.0000643400000000 ] - [ -0.0000369100000000, 0.0000015700000000, 0.0001935700000000 ] - [ 0.0000007200000000, 0.0000000900000000, 0.0000723800000000 ] - [ -0.0000007200000000, 0.0000000100000000, -0.0000479700000000 ] - [ -0.0000001600000000, -0.0000002000000000, 0.0001970700000000 ] - [ -0.0000010400000000, -0.0000000300000000, 0.0002124600000000 ] - [ 0.0000906700000000, -0.0000002400000000, 0.0003661600000000 ] - [ 0.0000006300000000, 0.0000002100000000, 0.0004000400000000 ] - [ -0.0000075600000000, -0.0000001200000000, 0.0000174200000000 ] - [ 0.0000001500000000, 0.0000001700000000, 0.0001498600000000 ] - [ -0.0000004500000000, 0.0000001600000000, 0.0001396200000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002692200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001303200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001968000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302884800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003983400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008077400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004001400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005085600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012774800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007718000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000797700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008261900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001962600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006619800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001915600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003363100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001324100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001820400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002188300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004632900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422283700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002191800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001311900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006233800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100160400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000496300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003851000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000725900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003420400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000106400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001906100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002201600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000990800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003416200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003577800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001636700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002978600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002873600000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003132100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004781400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002246200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001819200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003821600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005213900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001891900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001259500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002438700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000798400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004871800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006328100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001617500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002600200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001058500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000725800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002921300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001729500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425268700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000703000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000760900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004265300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009114000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102397700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002360900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000871100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004713600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002166200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002753700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016864300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000078800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000760600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001809900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000002600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000084700000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000007700000000, 0.0000001300000000, 0.0000219100000000 ] - [ -0.0000002800000000, -0.0000003700000000, 0.0001740300000000 ] - [ -0.0000003300000000, 0.0000001100000000, 0.0000946200000000 ] - [ -0.0000005200000000, -0.0000002300000000, -0.0000953400000000 ] - [ -0.0000004100000000, -0.0000004500000000, -0.0001070600000000 ] - [ -0.0000008000000000, 0.0000006000000000, -0.0005159900000000 ] - [ 0.0000012500000000, -0.0000003300000000, -0.0001093100000000 ] - [ 0.0000003700000000, -0.0000003300000000, 0.0000906500000000 ] - [ -0.0000294500000000, -0.0000001100000000, 0.0002303500000000 ] - [ 0.0109579300000000, 0.0002037400000000, 0.0000238000000000 ] - [ 0.0000001600000000, 0.0000001400000000, -0.0009851600000000 ] - [ -0.0000001300000000, 0.0000001500000000, -0.0004808200000000 ] - [ -0.0000002900000000, 0.0000000500000000, -0.0000990000000000 ] - [ 0.0000008400000000, -0.0000003800000000, -0.0005353400000000 ] - [ 0.0000001300000000, -0.0000003400000000, -0.0000807900000000 ] - [ 0.0000012000000000, -0.0000004500000000, 0.0000967200000000 ] - [ -0.0000741400000000, 0.0000012400000000, -0.0003741000000000 ] - [ 0.0000011400000000, 0.0000001300000000, -0.0003382900000000 ] - [ 0.0000003500000000, 0.0000000600000000, -0.0004844500000000 ] - [ -0.0000000800000000, 0.0000000300000000, -0.0000154800000000 ] - [ -0.0000001000000000, 0.0000001000000000, 0.0004052700000000 ] - [ 0.0000899900000000, -0.0000003200000000, 0.0000378400000000 ] - [ -0.0000008700000000, 0.0000001900000000, 0.0000732200000000 ] - [ -0.0000024900000000, 0.0000002200000000, 0.0004408200000000 ] - [ 0.0000902000000000, 0.0000005100000000, 0.0003167100000000 ] - [ -0.0000005000000000, 0.0000004600000000, 0.0003267400000000 ] - [ -0.0127532700000000, -0.0001473100000000, -0.0000328900000000 ] - [ 0.0000006400000000, 0.0000000700000000, 0.0000717800000000 ] - [ 0.0008952400000000, -0.0000086200000000, -0.0002914500000000 ] - [ 0.0000016200000000, 0.0000000800000000, -0.0007673000000000 ] - [ -0.0000006400000000, 0.0000000200000000, -0.0002056200000000 ] - [ 0.0000021000000000, 0.0000001700000000, -0.0000938000000000 ] - [ -0.0000004200000000, 0.0000002400000000, 0.0002366300000000 ] - [ 0.0000000700000000, 0.0000003100000000, 0.0006152400000000 ] - [ 0.0000001600000000, 0.0000002500000000, -0.0000724000000000 ] - [ -0.0000016600000000, 0.0000000800000000, 0.0007830500000000 ] - [ -0.0000000200000000, 0.0000002700000000, 0.0001939100000000 ] - [ 0.0000014700000000, 0.0000001500000000, -0.0001329700000000 ] - [ -0.0000001900000000, 0.0000003500000000, 0.0000469500000000 ] - [ 0.0000020100000000, 0.0000000900000000, -0.0002627000000000 ] - [ 0.0000002700000000, 0.0000001900000000, 0.0000773200000000 ] - [ -0.0000007000000000, 0.0000003100000000, 0.0001933700000000 ] - [ -0.0000001000000000, 0.0000001500000000, 0.0000722300000000 ] - [ 0.0000000100000000, 0.0000000700000000, -0.0000481300000000 ] - [ -0.0000006600000000, -0.0000001400000000, 0.0001968800000000 ] - [ -0.0000004900000000, 0.0000000300000000, 0.0002124000000000 ] - [ 0.0000010600000000, 0.0000000500000000, 0.0003669100000000 ] - [ -0.0000007300000000, 0.0000002700000000, 0.0003999900000000 ] - [ 0.0000002400000000, -0.0000000100000000, 0.0000166800000000 ] - [ 0.0008211200000000, -0.0000518600000000, 0.0001729100000000 ] - [ 0.0000004700000000, 0.0000002200000000, 0.0001394200000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002709500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001201400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001977200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003903200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008070800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000802500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301583900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012771500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003913900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008274500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001969500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003555600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003376400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005528600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002203600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002197700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005003700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004694000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002167400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014195300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006227600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000520400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003824200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007597800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000730800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009265500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003389800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001905600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002255200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000970800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003584500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005110300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005448300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001631900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103554000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002866500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003142900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004681400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001995100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002241600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001822900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003816000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303642600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001929100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002436600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002116900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003906900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003950700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004808600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006323800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001629300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002938200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001831300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020265200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003527300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002387900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000892700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004707100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006382600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000974500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000741100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001952800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000511800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000668500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002220900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002549900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098731900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000089000000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002900000000, 0.0000000300000000, 0.0000217800000000 ] - [ 0.0000002700000000, -0.0000004700000000, 0.0001738900000000 ] - [ 0.0000001900000000, 0.0000000100000000, 0.0000944800000000 ] - [ 0.0000005700000000, -0.0000003400000000, -0.0000954800000000 ] - [ 0.0107403800000000, 0.0002052300000000, -0.0003476600000000 ] - [ -0.0000006500000000, 0.0000005000000000, -0.0005161200000000 ] - [ 0.0000014000000000, -0.0000004300000000, -0.0001094500000000 ] - [ 0.0000091300000000, 0.0000000200000000, 0.0000904100000000 ] - [ 0.0000008800000000, -0.0000004600000000, 0.0002301200000000 ] - [ 0.0000006200000000, 0.0000000200000000, -0.0002170500000000 ] - [ 0.0000008500000000, 0.0000006400000000, -0.0009841200000000 ] - [ -0.0001890100000000, -0.0000020100000000, -0.0004799300000000 ] - [ -0.0000001800000000, -0.0000000500000000, -0.0000991300000000 ] - [ 0.0000009500000000, -0.0000004900000000, -0.0005354700000000 ] - [ 0.0000006500000000, -0.0000004400000000, -0.0000809400000000 ] - [ 0.0000011100000000, -0.0000005500000000, 0.0000965800000000 ] - [ 0.0000007600000000, -0.0000004700000000, -0.0003712900000000 ] - [ 0.0000010400000000, -0.0000000600000000, -0.0003386000000000 ] - [ 0.0000010200000000, -0.0000000400000000, -0.0004841800000000 ] - [ 0.0000007000000000, -0.0000000700000000, -0.0000151800000000 ] - [ 0.0008147000000000, -0.0000524300000000, 0.0003820200000000 ] - [ -0.0000002200000000, 0.0000002000000000, 0.0000376500000000 ] - [ -0.0000063500000000, 0.0000001500000000, 0.0000739000000000 ] - [ -0.0000013000000000, 0.0000001100000000, 0.0004409700000000 ] - [ 0.0000001900000000, 0.0000001700000000, 0.0003176100000000 ] - [ -0.0000002100000000, 0.0000003600000000, 0.0003267900000000 ] - [ 0.0000008100000000, 0.0000000300000000, 0.0002130200000000 ] - [ -0.0121606700000000, -0.0001602400000000, 0.0003238600000000 ] - [ 0.0000014300000000, -0.0000000200000000, -0.0002780200000000 ] - [ 0.0000004400000000, -0.0000000200000000, -0.0007672200000000 ] - [ 0.0000001000000000, -0.0000000900000000, -0.0002053300000000 ] - [ 0.0000001000000000, 0.0000000700000000, -0.0000936700000000 ] - [ 0.0000006900000000, 0.0000001400000000, 0.0002368900000000 ] - [ -0.0000006600000000, 0.0000002100000000, 0.0006153400000000 ] - [ -0.0000024100000000, 0.0000001800000000, -0.0000722700000000 ] - [ -0.0000016000000000, -0.0000000300000000, 0.0007833000000000 ] - [ -0.0000722000000000, 0.0000001800000000, 0.0001942700000000 ] - [ 0.0008959800000000, 0.0000112100000000, -0.0001248300000000 ] - [ -0.0000007300000000, 0.0000002500000000, 0.0000470200000000 ] - [ 0.0000007300000000, 0.0000000000000000, -0.0002626100000000 ] - [ 0.0000007400000000, 0.0000000900000000, 0.0000776300000000 ] - [ 0.0000007500000000, 0.0000002100000000, 0.0001934500000000 ] - [ -0.0000446500000000, -0.0000012600000000, 0.0000721500000000 ] - [ 0.0000014400000000, -0.0000000300000000, -0.0000479100000000 ] - [ -0.0000009900000000, -0.0000002400000000, 0.0001971500000000 ] - [ -0.0000000700000000, -0.0000000700000000, 0.0002125200000000 ] - [ 0.0000008000000000, -0.0000000500000000, 0.0003669600000000 ] - [ 0.0000001900000000, 0.0000001700000000, 0.0004000800000000 ] - [ 0.0000015700000000, -0.0000001100000000, 0.0000169600000000 ] - [ -0.0000003800000000, 0.0000001200000000, 0.0001499300000000 ] - [ 0.0000008100000000, 0.0000001200000000, 0.0001397000000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002743500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001241500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003935800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299866500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008122700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004047900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002160000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000652100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005132100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012785900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005364600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003953600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008306300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002012300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003331500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001351500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104362400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001841600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005898700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004645400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004734500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003605500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419834000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001284400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006207400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000530800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003872300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016104600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001151100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002274800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003424500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002620200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003433600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005143200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005491500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002908200000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003169700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004708300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003904600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002014400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005251300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000786900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006889400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004217600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001965300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002145600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003931600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004857500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006314700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001601500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098105500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000737100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001701700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001761900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004256400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003494200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002187700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006376200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018288700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000407900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000634900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002152200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001277100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000025600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000072600000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006700000000, 0.0000001100000000, 0.0000225800000000 ] - [ 0.0000011800000000, -0.0000004900000000, 0.0001731400000000 ] - [ 0.0000009200000000, 0.0000005700000000, 0.0000963300000000 ] - [ 0.0000006800000000, -0.0000003600000000, -0.0000961400000000 ] - [ 0.0000002200000000, -0.0000005700000000, -0.0001065600000000 ] - [ -0.0000007100000000, 0.0000004500000000, -0.0005184900000000 ] - [ 0.0000010000000000, -0.0000003700000000, -0.0001088200000000 ] - [ 0.0000006100000000, -0.0000004700000000, 0.0000883100000000 ] - [ 0.0000011000000000, -0.0000005700000000, 0.0002310100000000 ] - [ -0.0001886000000000, -0.0000021100000000, -0.0002152200000000 ] - [ 0.0000225200000000, 0.0000000800000000, -0.0009844300000000 ] - [ 0.0000002800000000, 0.0000000300000000, -0.0004801200000000 ] - [ 0.0000003000000000, -0.0000001200000000, -0.0000983000000000 ] - [ 0.0000007100000000, -0.0000005600000000, -0.0005348100000000 ] - [ 0.0000007300000000, -0.0000004600000000, -0.0000802000000000 ] - [ 0.0000014700000000, -0.0000006300000000, 0.0000960500000000 ] - [ 0.0107382900000000, 0.0002052200000000, -0.0006110900000000 ] - [ 0.0000014400000000, -0.0000001000000000, -0.0003384200000000 ] - [ 0.0000014700000000, -0.0000000700000000, -0.0004841200000000 ] - [ 0.0000010700000000, -0.0000001100000000, -0.0000150200000000 ] - [ 0.0000006600000000, -0.0000000300000000, 0.0004030000000000 ] - [ -0.0000023600000000, 0.0000001900000000, 0.0000373600000000 ] - [ -0.0000003400000000, 0.0000000600000000, 0.0000707800000000 ] - [ -0.0000721600000000, -0.0000007100000000, 0.0004414900000000 ] - [ 0.0008210600000000, -0.0000521800000000, 0.0002937300000000 ] - [ -0.0000005300000000, 0.0000003400000000, 0.0003270700000000 ] - [ 0.0008953600000000, 0.0000111700000000, 0.0002204600000000 ] - [ 0.0000016600000000, -0.0000000600000000, 0.0000738600000000 ] - [ -0.0121621100000000, -0.0001584000000000, -0.0000215100000000 ] - [ 0.0000008000000000, -0.0000000600000000, -0.0007672800000000 ] - [ 0.0000010100000000, -0.0000001400000000, -0.0002056800000000 ] - [ 0.0000013300000000, -0.0000001200000000, -0.0000951600000000 ] - [ -0.0000013300000000, 0.0000000900000000, 0.0002369700000000 ] - [ 0.0000002300000000, 0.0000001400000000, 0.0006152800000000 ] - [ -0.0000002100000000, 0.0000001100000000, -0.0000734700000000 ] - [ -0.0000005500000000, -0.0000000600000000, 0.0007836100000000 ] - [ -0.0000011500000000, 0.0000001600000000, 0.0001954600000000 ] - [ 0.0000006500000000, -0.0000000200000000, -0.0001341800000000 ] - [ -0.0000001500000000, 0.0000002200000000, 0.0000469400000000 ] - [ 0.0000002000000000, -0.0000000500000000, -0.0002627900000000 ] - [ 0.0000007300000000, 0.0000000600000000, 0.0000782100000000 ] - [ 0.0000001900000000, 0.0000002000000000, 0.0001921400000000 ] - [ 0.0000002500000000, 0.0000000000000000, 0.0000742700000000 ] - [ 0.0000013600000000, -0.0000000700000000, -0.0000467600000000 ] - [ 0.0000006500000000, -0.0000003100000000, 0.0001963400000000 ] - [ 0.0000008400000000, -0.0000001200000000, 0.0002105600000000 ] - [ 0.0000007100000000, -0.0000000800000000, 0.0003667300000000 ] - [ -0.0000007700000000, 0.0000001800000000, 0.0003992900000000 ] - [ 0.0000010800000000, -0.0000001500000000, 0.0000173200000000 ] - [ -0.0000721500000000, 0.0000000600000000, 0.0001504800000000 ] - [ -0.0000003300000000, 0.0000000700000000, 0.0001397700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002757500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001238900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004047400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004057900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002062600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000662700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007784500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003970300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008329500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003785100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002007500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0297270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003351800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001346900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005569200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002239500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103403300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004726200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019617100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423357400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000532900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000496800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007636000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000766700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000164300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001937700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003419900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002200700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003458400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003628300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005145500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001677700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003509200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002888200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003175000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004704800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003910000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002013200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001889700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002206500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003862500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005249300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001582400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001850400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001968900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002394600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002150500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306985800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001651000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002560900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002393000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098883000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001802400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014867900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421586800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009150500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003566700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002357300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002191000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006358500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002800100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004094200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000730800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000448800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000771300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001991000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000632700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002192300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002517800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000102300000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109654700000000, 0.0002040500000000, 0.0002636000000000 ] - [ 0.0000018600000000, -0.0000003000000000, 0.0001733600000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0000953700000000 ] - [ 0.0000002300000000, -0.0000001700000000, -0.0000958900000000 ] - [ -0.0000002700000000, -0.0000003800000000, -0.0001063300000000 ] - [ -0.0000008700000000, 0.0000006400000000, -0.0005182600000000 ] - [ -0.0000293800000000, 0.0000000700000000, -0.0001085300000000 ] - [ -0.0000004200000000, -0.0000002700000000, 0.0000885500000000 ] - [ 0.0000010300000000, -0.0000003600000000, 0.0002312200000000 ] - [ -0.0000001000000000, 0.0000001500000000, -0.0002160100000000 ] - [ -0.0000000300000000, 0.0000001800000000, -0.0009840700000000 ] - [ -0.0000003200000000, 0.0000002200000000, -0.0004799100000000 ] - [ -0.0000001700000000, 0.0000000700000000, -0.0000980700000000 ] - [ 0.0000006700000000, -0.0000003700000000, -0.0005345600000000 ] - [ -0.0000736700000000, 0.0000013300000000, -0.0000829300000000 ] - [ 0.0000013600000000, -0.0000004500000000, 0.0000962500000000 ] - [ -0.0000002300000000, -0.0000003000000000, -0.0003704400000000 ] - [ 0.0000000500000000, 0.0000000900000000, -0.0003385400000000 ] - [ 0.0008864600000000, -0.0000085200000000, -0.0004974100000000 ] - [ 0.0000012200000000, 0.0000001700000000, -0.0000145100000000 ] - [ -0.0000007300000000, 0.0000001500000000, 0.0004029800000000 ] - [ 0.0000003000000000, 0.0000003500000000, 0.0000373300000000 ] - [ -0.0000005800000000, 0.0000002500000000, 0.0000707800000000 ] - [ -0.0000003500000000, 0.0000002600000000, 0.0004417100000000 ] - [ 0.0000000800000000, 0.0000003000000000, 0.0003169000000000 ] - [ 0.0000002500000000, 0.0000005300000000, 0.0003268900000000 ] - [ 0.0000015000000000, 0.0000001900000000, 0.0002124500000000 ] - [ 0.0000003800000000, 0.0000001300000000, 0.0000737200000000 ] - [ 0.0000007400000000, 0.0000001400000000, -0.0002775900000000 ] - [ -0.0127566900000000, -0.0001501400000000, -0.0010150700000000 ] - [ 0.0000004000000000, 0.0000000500000000, -0.0002056800000000 ] - [ 0.0000011100000000, 0.0000002200000000, -0.0000946800000000 ] - [ -0.0000024500000000, 0.0000003000000000, 0.0002369100000000 ] - [ 0.0000895400000000, 0.0000005700000000, 0.0006144700000000 ] - [ -0.0000007500000000, 0.0000003000000000, -0.0000735300000000 ] - [ -0.0000016800000000, 0.0000001300000000, 0.0007835000000000 ] - [ -0.0000008000000000, 0.0000003500000000, 0.0001953400000000 ] - [ 0.0000011900000000, 0.0000001700000000, -0.0001342300000000 ] - [ 0.0000904400000000, -0.0000002200000000, 0.0000471400000000 ] - [ 0.0000022500000000, 0.0000001400000000, -0.0002628100000000 ] - [ -0.0000003300000000, 0.0000002500000000, 0.0000781700000000 ] - [ -0.0000011100000000, 0.0000003800000000, 0.0001920400000000 ] - [ -0.0000004300000000, 0.0000002000000000, 0.0000741300000000 ] - [ 0.0000007000000000, 0.0000001200000000, -0.0000468700000000 ] - [ -0.0000000900000000, -0.0000001200000000, 0.0001962900000000 ] - [ -0.0000003500000000, 0.0000000700000000, 0.0002105800000000 ] - [ 0.0000020500000000, 0.0000001000000000, 0.0003666000000000 ] - [ -0.0000001700000000, 0.0000003600000000, 0.0003992000000000 ] - [ 0.0000007900000000, 0.0000000300000000, 0.0000172800000000 ] - [ 0.0000000700000000, 0.0000002600000000, 0.0001502100000000 ] - [ 0.0008215400000000, -0.0000518500000000, 0.0001629300000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0304015600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001185000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003994000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008079500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002023100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007716800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008269700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001962700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001904400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002184900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005875800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004619800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0432530700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000532000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000511300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000719200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009283700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000138600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001193900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003348900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002182500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000995000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003446200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003567800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005078500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005436700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103552300000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0301334300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004663000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001978700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002244200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003834300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005219200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000749800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001895700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002431400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001012300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000793200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022124500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001573600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002595400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001075800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000726900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001724400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001816500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000677200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0413793800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003533400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002391600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000892700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004305600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002170800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006378300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000466300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002794300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001367200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000700000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000744300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001961300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000508300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000667000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002533200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098884300000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001700000000, 0.0000000500000000, 0.0000214600000000 ] - [ -0.0002757800000000, -0.0000003100000000, 0.0001766500000000 ] - [ -0.0000004700000000, 0.0000000300000000, 0.0000941700000000 ] - [ 0.0109289100000000, 0.0002027700000000, -0.0003362700000000 ] - [ 0.0000012800000000, -0.0000005300000000, -0.0001075100000000 ] - [ -0.0000006800000000, 0.0000005200000000, -0.0005164200000000 ] - [ 0.0000008200000000, -0.0000004200000000, -0.0001097700000000 ] - [ 0.0000007700000000, -0.0000004100000000, 0.0000902100000000 ] - [ 0.0000006500000000, -0.0000004500000000, 0.0002298000000000 ] - [ 0.0000006000000000, 0.0000000300000000, -0.0002173700000000 ] - [ -0.0000001900000000, 0.0000000600000000, -0.0009855900000000 ] - [ 0.0000000300000000, 0.0000000600000000, -0.0004812600000000 ] - [ 0.0000221500000000, 0.0000000600000000, -0.0000995300000000 ] - [ 0.0000010100000000, -0.0000004600000000, -0.0005357900000000 ] - [ 0.0000001700000000, -0.0000004300000000, -0.0000812500000000 ] - [ 0.0000012400000000, -0.0000005400000000, 0.0000962800000000 ] - [ 0.0000011000000000, -0.0000004600000000, -0.0003716000000000 ] - [ 0.0000010400000000, -0.0000000500000000, -0.0003385200000000 ] - [ 0.0000016100000000, -0.0000000200000000, -0.0004841200000000 ] - [ 0.0000012200000000, -0.0000000600000000, -0.0000151500000000 ] - [ 0.0000003500000000, 0.0000000100000000, 0.0004055600000000 ] - [ 0.0000004300000000, 0.0000002000000000, 0.0000378300000000 ] - [ 0.0000000400000000, 0.0000001000000000, 0.0000735100000000 ] - [ 0.0000007100000000, 0.0000001200000000, 0.0004410700000000 ] - [ 0.0000001200000000, 0.0000001900000000, 0.0003177700000000 ] - [ 0.0009165200000000, -0.0000508100000000, 0.0003035000000000 ] - [ -0.0000003300000000, 0.0000000300000000, 0.0002131900000000 ] - [ -0.0000000900000000, -0.0000000100000000, 0.0000720900000000 ] - [ 0.0000011100000000, -0.0000000100000000, -0.0002779300000000 ] - [ 0.0000004900000000, -0.0000000100000000, -0.0007670300000000 ] - [ -0.0127093400000000, -0.0001434500000000, 0.0000419000000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0000935100000000 ] - [ -0.0000002400000000, 0.0000001500000000, 0.0002369600000000 ] - [ 0.0000006000000000, 0.0000002200000000, 0.0006155200000000 ] - [ 0.0000004000000000, 0.0000001600000000, -0.0000721100000000 ] - [ 0.0000002400000000, -0.0000000100000000, 0.0007833700000000 ] - [ 0.0000007100000000, 0.0000001900000000, 0.0001942100000000 ] - [ 0.0000001900000000, 0.0000000600000000, -0.0001326800000000 ] - [ -0.0000002000000000, 0.0000002600000000, 0.0000472200000000 ] - [ 0.0000001100000000, 0.0000000000000000, -0.0002624300000000 ] - [ -0.0000703400000000, -0.0000007000000000, 0.0000774600000000 ] - [ 0.0012099000000000, -0.0000057200000000, 0.0002060700000000 ] - [ 0.0000014400000000, 0.0000000600000000, 0.0000725300000000 ] - [ 0.0000010200000000, -0.0000000100000000, -0.0000478100000000 ] - [ 0.0000011400000000, -0.0000002300000000, 0.0001972000000000 ] - [ 0.0000002200000000, -0.0000000600000000, 0.0002126900000000 ] - [ 0.0000021100000000, -0.0000001800000000, 0.0003677400000000 ] - [ -0.0000027400000000, 0.0000001700000000, 0.0004002000000000 ] - [ -0.0000392500000000, -0.0000005300000000, 0.0000177400000000 ] - [ 0.0000003600000000, 0.0000001400000000, 0.0001500100000000 ] - [ -0.0000012100000000, 0.0000001400000000, 0.0001397600000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004037000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008130700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004063200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000666200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005131100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012817600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007769500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004073000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008325100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006676700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003333500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001369900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005540200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002212800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005924600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103623900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003593800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002222100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001262400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006206500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423968100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007621700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009313500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003444200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001161100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002764200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001034100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005076900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005575200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002035900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003008800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002895100000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002486500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003911700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304758500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002205200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005264500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000785200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001856600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002084100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002390800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002159300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003924700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000756900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006345800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001651300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002574800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000744100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002888800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001727100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098954900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000683400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004303600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423386000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002383200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004689900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002182400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006355400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000432900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004077000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015945800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001993300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000641200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002257000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002423200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001650800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000016700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000093500000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002700000000, 0.0000002200000000, 0.0000228000000000 ] - [ 0.0000006900000000, -0.0000003800000000, 0.0001733600000000 ] - [ -0.0000007100000000, 0.0000000800000000, 0.0000954100000000 ] - [ 0.0000012000000000, -0.0000002500000000, -0.0000959200000000 ] - [ 0.0000009100000000, -0.0000004600000000, -0.0001063400000000 ] - [ -0.0000001800000000, 0.0000005600000000, -0.0005182800000000 ] - [ -0.0000003900000000, -0.0000002600000000, -0.0001086100000000 ] - [ 0.0000006400000000, -0.0000003500000000, 0.0000885300000000 ] - [ 0.0000002300000000, -0.0000004500000000, 0.0002312300000000 ] - [ -0.0000003000000000, 0.0000000600000000, -0.0002160000000000 ] - [ 0.0109586600000000, 0.0002037300000000, -0.0007433700000000 ] - [ 0.0000002600000000, 0.0000001300000000, -0.0004798900000000 ] - [ 0.0000002300000000, -0.0000000100000000, -0.0000980600000000 ] - [ -0.0000740700000000, 0.0000011600000000, -0.0005375400000000 ] - [ 0.0000011900000000, -0.0000003600000000, -0.0000799700000000 ] - [ 0.0000005000000000, -0.0000005300000000, 0.0000963000000000 ] - [ -0.0000293400000000, -0.0000001200000000, -0.0003703500000000 ] - [ 0.0000003500000000, 0.0000000000000000, -0.0003385100000000 ] - [ -0.0000000300000000, 0.0000000300000000, -0.0004842200000000 ] - [ -0.0000005800000000, 0.0000000000000000, -0.0000151000000000 ] - [ 0.0000001200000000, 0.0000000800000000, 0.0004029300000000 ] - [ 0.0000001300000000, 0.0000002700000000, 0.0000372900000000 ] - [ -0.0000013400000000, 0.0000001600000000, 0.0000707000000000 ] - [ 0.0008216100000000, -0.0000519200000000, 0.0004649500000000 ] - [ 0.0000902500000000, -0.0000004100000000, 0.0003171700000000 ] - [ -0.0000006100000000, 0.0000004300000000, 0.0003270000000000 ] - [ 0.0000020200000000, 0.0000001100000000, 0.0002124200000000 ] - [ 0.0000000100000000, 0.0000000500000000, 0.0000737600000000 ] - [ 0.0000011700000000, 0.0000001600000000, -0.0002770300000000 ] - [ 0.0000010700000000, 0.0000000400000000, -0.0007673500000000 ] - [ -0.0000005600000000, -0.0000000300000000, -0.0002058000000000 ] - [ -0.0127566800000000, -0.0001457500000000, -0.0003419600000000 ] - [ 0.0000004600000000, 0.0000001900000000, 0.0002368600000000 ] - [ -0.0000002200000000, 0.0000002600000000, 0.0006152000000000 ] - [ 0.0000900900000000, 0.0000004600000000, -0.0000743200000000 ] - [ -0.0000017900000000, 0.0000000500000000, 0.0007835000000000 ] - [ -0.0000025000000000, 0.0000002800000000, 0.0001954200000000 ] - [ 0.0000022200000000, 0.0000000900000000, -0.0001342600000000 ] - [ -0.0000005200000000, 0.0000003200000000, 0.0000468700000000 ] - [ 0.0000017000000000, 0.0000000600000000, -0.0002628600000000 ] - [ -0.0000000100000000, 0.0000001600000000, 0.0000781000000000 ] - [ -0.0000007400000000, 0.0000003000000000, 0.0001920800000000 ] - [ 0.0000003900000000, 0.0000001000000000, 0.0000741700000000 ] - [ 0.0008937700000000, -0.0000086600000000, -0.0000600600000000 ] - [ -0.0000002300000000, -0.0000002000000000, 0.0001962500000000 ] - [ 0.0000003400000000, 0.0000000000000000, 0.0002104900000000 ] - [ 0.0000011200000000, 0.0000000200000000, 0.0003666600000000 ] - [ -0.0000007900000000, 0.0000002700000000, 0.0003992200000000 ] - [ 0.0000005400000000, -0.0000000500000000, 0.0000172200000000 ] - [ -0.0000003600000000, 0.0000001800000000, 0.0001502300000000 ] - [ 0.0000003400000000, 0.0000001800000000, 0.0001396700000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002697600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001197700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001972000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008082900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002016900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005084500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0293883200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005207500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003719100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001966900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006818100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001924900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003370100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001338000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005520200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001826500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002189700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005013500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004661300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003592600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002172700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000552300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425685300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003836900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007589200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001103600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009276000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003393400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001879700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001178000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002277900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003353600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002180700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016464700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003576900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005090200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005430100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001671000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002949900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002883700000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003140200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003871900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001849100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002239700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003829800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005227900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0311323300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001887800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001927400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005580000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003897400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000601700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004856300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006304500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002589900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001076400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0095842900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000668600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004192700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003509600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420352700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000897100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004695400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002570400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006392800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000472000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000984600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004083100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000681500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000465900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000741600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017923600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000657000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002539300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001295600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000073600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001000000000, 0.0000000600000000, 0.0000217600000000 ] - [ 0.0000009100000000, -0.0000004500000000, 0.0001738800000000 ] - [ 0.0107338400000000, -0.0002056200000000, -0.0001459200000000 ] - [ 0.0000014500000000, -0.0000003200000000, -0.0000955000000000 ] - [ 0.0000014400000000, -0.0000005300000000, -0.0001072200000000 ] - [ -0.0000003500000000, 0.0000005200000000, -0.0005161300000000 ] - [ 0.0000013000000000, -0.0000006100000000, -0.0001088900000000 ] - [ 0.0000011500000000, -0.0000004100000000, 0.0000905100000000 ] - [ 0.0000233100000000, -0.0000005400000000, 0.0002299800000000 ] - [ -0.0000001500000000, 0.0000000300000000, -0.0002170700000000 ] - [ -0.0000006700000000, 0.0000000600000000, -0.0009853000000000 ] - [ -0.0000000900000000, 0.0000000600000000, -0.0004809700000000 ] - [ -0.0000001400000000, -0.0000000400000000, -0.0000991600000000 ] - [ 0.0000003200000000, -0.0000004700000000, -0.0005354900000000 ] - [ -0.0001867800000000, 0.0000016200000000, -0.0000799800000000 ] - [ 0.0000010300000000, -0.0000005400000000, 0.0000965800000000 ] - [ 0.0000010300000000, -0.0000004600000000, -0.0003713000000000 ] - [ -0.0000716700000000, 0.0000007400000000, -0.0003389700000000 ] - [ -0.0000715100000000, -0.0000000100000000, -0.0004841300000000 ] - [ -0.0000010500000000, -0.0000000600000000, -0.0000152600000000 ] - [ -0.0000008000000000, 0.0000000200000000, 0.0004054300000000 ] - [ 0.0000009400000000, 0.0000003600000000, 0.0000371300000000 ] - [ -0.0000000200000000, 0.0000001000000000, 0.0000733800000000 ] - [ 0.0000013200000000, 0.0000001200000000, 0.0004409300000000 ] - [ 0.0000001300000000, 0.0000001800000000, 0.0003176300000000 ] - [ 0.0000004800000000, 0.0000003700000000, 0.0003268200000000 ] - [ 0.0000001400000000, 0.0000000300000000, 0.0002130500000000 ] - [ 0.0000006800000000, -0.0000000100000000, 0.0000719400000000 ] - [ -0.0000008800000000, -0.0000000100000000, -0.0002780600000000 ] - [ -0.0000020600000000, -0.0000000400000000, -0.0007671900000000 ] - [ -0.0000001300000000, -0.0000000800000000, -0.0002053900000000 ] - [ 0.0000010500000000, 0.0000000900000000, -0.0000936500000000 ] - [ -0.0121519000000000, 0.0001633600000000, 0.0004911300000000 ] - [ 0.0008889900000000, -0.0000108900000000, 0.0006233500000000 ] - [ -0.0000002500000000, 0.0000001700000000, -0.0000722400000000 ] - [ -0.0000006900000000, -0.0000000100000000, 0.0007832400000000 ] - [ 0.0000007500000000, 0.0000001900000000, 0.0001940600000000 ] - [ 0.0000009100000000, 0.0000000600000000, -0.0001328200000000 ] - [ -0.0000002400000000, 0.0000002600000000, 0.0000470500000000 ] - [ 0.0008216000000000, 0.0000523000000000, -0.0002858000000000 ] - [ 0.0000010600000000, 0.0000001000000000, 0.0000775600000000 ] - [ -0.0000002900000000, 0.0000002300000000, 0.0001934900000000 ] - [ 0.0000011600000000, 0.0000000600000000, 0.0000723900000000 ] - [ 0.0000001200000000, -0.0000000200000000, -0.0000479500000000 ] - [ 0.0000009000000000, -0.0000002300000000, 0.0001970900000000 ] - [ -0.0000002400000000, -0.0000000600000000, 0.0002125500000000 ] - [ 0.0000005300000000, -0.0000000400000000, 0.0003670000000000 ] - [ 0.0000002900000000, 0.0000001800000000, 0.0004001100000000 ] - [ 0.0000009500000000, -0.0000001000000000, 0.0000168800000000 ] - [ 0.0000009600000000, 0.0000001300000000, 0.0001498600000000 ] - [ 0.0000010800000000, 0.0000001300000000, 0.0001396300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002748900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001236600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003940500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004039100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008134200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004038000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002060000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005146800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012833100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007784900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003968700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008333800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001373500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006686400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001385100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002821400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001342800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005554900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001800400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002235700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005893300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004661600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004737800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003611400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002199600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0418000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023488000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000763000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009294700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003423300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097603300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002280700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003414600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002216800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001001100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003457000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005138200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005495800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001665400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002993300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002897900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003171500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302336400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002190400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003861500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005371500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000797300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006881400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002385100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000208300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003944900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000746000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006853800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002578200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002912000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001709300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000668500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009123900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003556000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002407500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426274600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010700200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006361400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002797800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000985900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000782900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001972100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000654700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002212700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001331800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000008200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000112800000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000301500000000, -0.0000001600000000, 0.0000220300000000 ] - [ 0.0000004900000000, -0.0000004200000000, 0.0001740600000000 ] - [ -0.0000748100000000, -0.0000015100000000, 0.0000917200000000 ] - [ 0.0000001000000000, -0.0000003000000000, -0.0000953000000000 ] - [ 0.0000003800000000, -0.0000005100000000, -0.0001070200000000 ] - [ -0.0000002700000000, 0.0000005500000000, -0.0005159400000000 ] - [ 0.0000005800000000, -0.0000003900000000, -0.0001092700000000 ] - [ 0.0000009900000000, -0.0000003900000000, 0.0000907000000000 ] - [ 0.0000010300000000, -0.0000004200000000, 0.0002302700000000 ] - [ 0.0000000600000000, 0.0000000600000000, -0.0002168800000000 ] - [ -0.0000012600000000, 0.0000000800000000, -0.0009851000000000 ] - [ -0.0000001600000000, 0.0000001000000000, -0.0004807600000000 ] - [ -0.0000007000000000, -0.0000000100000000, -0.0000989500000000 ] - [ 0.0000007400000000, -0.0000004300000000, -0.0005352900000000 ] - [ 0.0109513800000000, -0.0002039400000000, 0.0001598800000000 ] - [ 0.0000005800000000, -0.0000005100000000, 0.0000967500000000 ] - [ 0.0000007100000000, -0.0000004300000000, -0.0003711100000000 ] - [ -0.0000021800000000, -0.0000000400000000, -0.0003386400000000 ] - [ 0.0008203800000000, 0.0000520700000000, -0.0004611100000000 ] - [ -0.0000000900000000, -0.0000000300000000, -0.0000153100000000 ] - [ 0.0000005500000000, 0.0000000400000000, 0.0004052300000000 ] - [ 0.0000017500000000, 0.0000002300000000, 0.0000375000000000 ] - [ 0.0000006900000000, 0.0000001300000000, 0.0000731800000000 ] - [ 0.0000003600000000, 0.0000001600000000, 0.0004408800000000 ] - [ 0.0000010300000000, 0.0000002200000000, 0.0003174500000000 ] - [ 0.0000013500000000, 0.0000004000000000, 0.0003266700000000 ] - [ 0.0000005800000000, 0.0000000600000000, 0.0002128600000000 ] - [ -0.0000005500000000, 0.0000000100000000, 0.0000719000000000 ] - [ 0.0000003000000000, 0.0000000200000000, -0.0002781200000000 ] - [ 0.0000898700000000, 0.0000006400000000, -0.0007670900000000 ] - [ 0.0000007500000000, -0.0000000500000000, -0.0002054700000000 ] - [ 0.0000003700000000, 0.0000001100000000, -0.0000938400000000 ] - [ 0.0008889800000000, 0.0000088400000000, 0.0002235900000000 ] - [ -0.0127481500000000, 0.0001445700000000, 0.0003674200000000 ] - [ 0.0000006600000000, 0.0000001900000000, -0.0000724200000000 ] - [ -0.0000008000000000, 0.0000000200000000, 0.0007831800000000 ] - [ 0.0000003000000000, 0.0000002200000000, 0.0001940200000000 ] - [ -0.0000003600000000, 0.0000000900000000, -0.0001330000000000 ] - [ 0.0000016600000000, 0.0000002800000000, 0.0000468900000000 ] - [ 0.0000901300000000, -0.0000002100000000, -0.0002635400000000 ] - [ 0.0000000200000000, 0.0000001300000000, 0.0000775000000000 ] - [ -0.0000002100000000, 0.0000002500000000, 0.0001932900000000 ] - [ 0.0000003700000000, 0.0000000900000000, 0.0000723400000000 ] - [ -0.0000001400000000, 0.0000000200000000, -0.0000480200000000 ] - [ 0.0000005000000000, -0.0000002000000000, 0.0001970000000000 ] - [ 0.0000006700000000, -0.0000000300000000, 0.0002123600000000 ] - [ 0.0000004500000000, -0.0000000100000000, 0.0003668300000000 ] - [ 0.0000006900000000, 0.0000002100000000, 0.0003999300000000 ] - [ -0.0000001300000000, -0.0000000700000000, 0.0000168300000000 ] - [ -0.0000003300000000, 0.0000001700000000, 0.0001498200000000 ] - [ 0.0000008300000000, 0.0000000700000000, 0.0001401400000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002879800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001191900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001098000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003976600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008072400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004007300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002001800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005083500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012764600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007725500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302905100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001892100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097230900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001366900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005521000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001796800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005902200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004603700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004657300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002187300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001289400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005891400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000519200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0418709100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000712400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001875300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000835700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003340300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002196600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000998600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005425000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001690800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859900000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003317400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004674600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000721600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001845000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001828400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005222600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006925900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001881900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002441000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302268500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000787800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002578000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001070700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002925600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001730100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000684700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000747000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004257100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009492900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003541300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002382400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0427406500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006376200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002768500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004465300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000712300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000479500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001948400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000659600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002232600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001309300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000031700000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000015700000000, 0.0000001800000000, 0.0000228400000000 ] - [ 0.0000006200000000, -0.0000004200000000, 0.0001734300000000 ] - [ 0.0000001400000000, 0.0000000300000000, 0.0000954700000000 ] - [ 0.0000007300000000, -0.0000002900000000, -0.0000958200000000 ] - [ 0.0000007500000000, -0.0000004800000000, -0.0001062600000000 ] - [ -0.0000013200000000, 0.0000005400000000, -0.0005182400000000 ] - [ 0.0000008500000000, -0.0000003000000000, -0.0001085500000000 ] - [ 0.0000013700000000, 0.0000002000000000, 0.0000874600000000 ] - [ -0.0000000700000000, -0.0000004900000000, 0.0002312700000000 ] - [ -0.0000009300000000, 0.0000000300000000, -0.0002159100000000 ] - [ -0.0000306200000000, -0.0000001600000000, -0.0009839500000000 ] - [ -0.0000749700000000, -0.0000014500000000, -0.0004827300000000 ] - [ 0.0000001900000000, -0.0000000400000000, -0.0000979700000000 ] - [ 0.0109574100000000, -0.0002041100000000, -0.0002937900000000 ] - [ 0.0000003100000000, -0.0000003800000000, -0.0000799100000000 ] - [ 0.0000010800000000, -0.0000005500000000, 0.0000963300000000 ] - [ 0.0000003900000000, -0.0000004100000000, -0.0003703800000000 ] - [ 0.0000005500000000, -0.0000000200000000, -0.0003384400000000 ] - [ 0.0000004000000000, 0.0000000100000000, -0.0004841200000000 ] - [ 0.0000000700000000, -0.0000000300000000, -0.0000149800000000 ] - [ 0.0000014200000000, 0.0000000400000000, 0.0004029900000000 ] - [ 0.0000010500000000, 0.0000002400000000, 0.0000373500000000 ] - [ -0.0000017100000000, 0.0000001400000000, 0.0000707700000000 ] - [ 0.0000006500000000, 0.0000000400000000, 0.0004423500000000 ] - [ 0.0000013800000000, 0.0000001800000000, 0.0003169400000000 ] - [ 0.0000005300000000, 0.0000004100000000, 0.0003270200000000 ] - [ 0.0000002400000000, 0.0000000800000000, 0.0002124600000000 ] - [ -0.0000024100000000, 0.0000000000000000, 0.0000738900000000 ] - [ -0.0000002900000000, 0.0000000300000000, -0.0002775000000000 ] - [ -0.0000004500000000, 0.0000000200000000, -0.0007673400000000 ] - [ 0.0000003400000000, -0.0000000600000000, -0.0002056800000000 ] - [ 0.0000902500000000, 0.0000007200000000, -0.0000943300000000 ] - [ -0.0000006500000000, 0.0000001700000000, 0.0002369600000000 ] - [ 0.0000004600000000, 0.0000002300000000, 0.0006152300000000 ] - [ -0.0127467800000000, 0.0001440700000000, -0.0003230600000000 ] - [ -0.0000001600000000, 0.0000000100000000, 0.0007836000000000 ] - [ 0.0008912700000000, 0.0000089100000000, 0.0001822400000000 ] - [ 0.0000901500000000, -0.0000001800000000, -0.0001349700000000 ] - [ 0.0000005700000000, 0.0000002900000000, 0.0000468900000000 ] - [ -0.0000000200000000, 0.0000000300000000, -0.0002628200000000 ] - [ -0.0000011100000000, 0.0000001200000000, 0.0000782000000000 ] - [ 0.0000005000000000, 0.0000002700000000, 0.0001921200000000 ] - [ -0.0000001000000000, 0.0000000800000000, 0.0000742300000000 ] - [ 0.0008211400000000, 0.0000520900000000, -0.0000235900000000 ] - [ 0.0000003200000000, -0.0000002300000000, 0.0001963500000000 ] - [ 0.0000011100000000, -0.0000000300000000, 0.0002105600000000 ] - [ -0.0000006000000000, -0.0000000100000000, 0.0003666700000000 ] - [ -0.0000006800000000, 0.0000002400000000, 0.0003992700000000 ] - [ -0.0000004700000000, -0.0000000700000000, 0.0000173300000000 ] - [ -0.0000001900000000, 0.0000001500000000, 0.0001503000000000 ] - [ -0.0000011300000000, 0.0000001500000000, 0.0001398000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002712300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001181700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001965100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003978200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008079400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000614500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005084100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012944900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004664500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003908600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298395900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001965400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006628000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001916900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005524800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001828400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005822600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004718400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003580900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002171800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001321500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006231600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000574900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000895800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0425600700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009282600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018843200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000500200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001929900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001177600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002241200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003393400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002182700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101598100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003429100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003593200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005464700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001636000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002858300000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003157900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004652000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003884900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001963700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002268200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001838700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005245100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000770600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005017700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001952700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003894200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004831900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006291800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002506500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001118000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003049400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001790800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000636800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000682400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004207300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003497700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000925400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006426500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015403500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000666500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000430100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000678800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100695000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000544100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000600000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002211800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002480400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001262900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000060300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000039600000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001400000000, 0.0000001600000000, 0.0000214800000000 ] - [ 0.0000009500000000, -0.0000003400000000, 0.0001735900000000 ] - [ 0.0000003200000000, 0.0000001400000000, 0.0000941900000000 ] - [ 0.0000002700000000, -0.0000002100000000, -0.0000957800000000 ] - [ 0.0000003200000000, -0.0000004200000000, -0.0001074700000000 ] - [ 0.0109566100000000, -0.0002029800000000, -0.0007571000000000 ] - [ 0.0000013600000000, -0.0000003100000000, -0.0001097400000000 ] - [ -0.0000740000000000, -0.0000018700000000, 0.0000931800000000 ] - [ 0.0000013300000000, -0.0000003400000000, 0.0002298300000000 ] - [ 0.0000001300000000, 0.0000001400000000, -0.0002173500000000 ] - [ 0.0000006200000000, 0.0000001700000000, -0.0009855700000000 ] - [ 0.0000009000000000, -0.0000004200000000, -0.0004800700000000 ] - [ -0.0000006800000000, 0.0000000700000000, -0.0000994200000000 ] - [ 0.0000006800000000, -0.0000003400000000, -0.0005357700000000 ] - [ -0.0000004000000000, -0.0000003100000000, -0.0000812300000000 ] - [ -0.0000293600000000, -0.0000006600000000, 0.0000961900000000 ] - [ 0.0000005300000000, -0.0000003500000000, -0.0003715800000000 ] - [ -0.0000003400000000, 0.0000000700000000, -0.0003384700000000 ] - [ -0.0000002000000000, 0.0000000900000000, -0.0004840700000000 ] - [ 0.0000001400000000, 0.0000000600000000, -0.0000150800000000 ] - [ 0.0000013200000000, 0.0000001100000000, 0.0004054900000000 ] - [ -0.0000006800000000, 0.0000003200000000, 0.0000378000000000 ] - [ 0.0008961100000000, 0.0000089200000000, 0.0000866800000000 ] - [ 0.0000001000000000, 0.0000002400000000, 0.0004411100000000 ] - [ -0.0000003100000000, 0.0000003000000000, 0.0003177500000000 ] - [ 0.0000003000000000, 0.0000004900000000, 0.0003269600000000 ] - [ -0.0000011500000000, 0.0000001500000000, 0.0002131600000000 ] - [ -0.0000013000000000, 0.0000001100000000, 0.0000721300000000 ] - [ -0.0000004000000000, 0.0000001100000000, -0.0002778800000000 ] - [ -0.0000013000000000, 0.0000001100000000, -0.0007670700000000 ] - [ 0.0000004000000000, 0.0000000300000000, -0.0002052200000000 ] - [ -0.0000013500000000, 0.0000001900000000, -0.0000935300000000 ] - [ -0.0000006700000000, 0.0000002700000000, 0.0002370100000000 ] - [ -0.0000007400000000, 0.0000003300000000, 0.0006154800000000 ] - [ 0.0000001400000000, 0.0000002800000000, -0.0000721300000000 ] - [ -0.0127463000000000, 0.0001407000000000, 0.0010291800000000 ] - [ 0.0000002400000000, 0.0000003000000000, 0.0001942500000000 ] - [ 0.0000005200000000, 0.0000001700000000, -0.0001327200000000 ] - [ -0.0000001700000000, 0.0000003700000000, 0.0000471900000000 ] - [ -0.0000002300000000, 0.0000001100000000, -0.0002624700000000 ] - [ -0.0000011900000000, 0.0000002200000000, 0.0000777300000000 ] - [ -0.0000004400000000, 0.0000003400000000, 0.0001936100000000 ] - [ 0.0000879600000000, -0.0000000700000000, 0.0000733400000000 ] - [ -0.0000008900000000, 0.0000001000000000, -0.0000477700000000 ] - [ 0.0000902500000000, 0.0000005000000000, 0.0001969500000000 ] - [ 0.0008227600000000, 0.0000521800000000, 0.0001894200000000 ] - [ -0.0000015100000000, 0.0000000800000000, 0.0003671200000000 ] - [ 0.0000018500000000, 0.0000002100000000, 0.0003996900000000 ] - [ -0.0000009400000000, 0.0000000200000000, 0.0000170600000000 ] - [ -0.0000007500000000, 0.0000002500000000, 0.0001500600000000 ] - [ -0.0000006800000000, 0.0000002500000000, 0.0001398200000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002711600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003900800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004018100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000634000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007706000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003923800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008289700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003755000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002151000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006635400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001931800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005558700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001844100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018238800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005875100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003593200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002178600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001324600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006203400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000596800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000522400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007620900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000745300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0413688400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003409700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001945200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001142200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002567700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000987400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003801100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102417800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005137700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002958500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002845400000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001980400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001852100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308862700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001824300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005236400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000756800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001881300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001943700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002421600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002134200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004062700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004860500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006317600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001621800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002590000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001055900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016239600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002921000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001745700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001814100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000703500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003514700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002360200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000893700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002156100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0432588800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000451300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002761400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000693300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001965700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100002700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002231600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000017500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000072700000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000700000000, -0.0000000400000000, 0.0000217400000000 ] - [ 0.0000005800000000, -0.0000005500000000, 0.0001738500000000 ] - [ 0.0000001700000000, -0.0000000700000000, 0.0000944600000000 ] - [ 0.0000007900000000, -0.0000004200000000, -0.0000955100000000 ] - [ 0.0000235400000000, -0.0000007200000000, -0.0001073400000000 ] - [ -0.0000012500000000, 0.0000004200000000, -0.0005161500000000 ] - [ 0.0000013500000000, -0.0000005200000000, -0.0001094800000000 ] - [ 0.0000008400000000, -0.0000005100000000, 0.0000904800000000 ] - [ 0.0000016200000000, -0.0000005500000000, 0.0002300900000000 ] - [ 0.0000000100000000, -0.0000000600000000, -0.0002170800000000 ] - [ 0.0000002900000000, -0.0000000300000000, -0.0009853000000000 ] - [ 0.0107373600000000, -0.0002057300000000, -0.0007214100000000 ] - [ 0.0000006500000000, -0.0000001400000000, -0.0000991600000000 ] - [ -0.0001871000000000, 0.0000015000000000, -0.0005345000000000 ] - [ 0.0000011500000000, -0.0000005300000000, -0.0000809600000000 ] - [ 0.0000003200000000, -0.0000006400000000, 0.0000965500000000 ] - [ 0.0000018900000000, -0.0000011600000000, -0.0003701600000000 ] - [ 0.0000000800000000, -0.0000001500000000, -0.0003387400000000 ] - [ 0.0000011800000000, -0.0000001200000000, -0.0004843300000000 ] - [ 0.0000012700000000, -0.0000001500000000, -0.0000153200000000 ] - [ 0.0000013500000000, 0.0000000600000000, 0.0004049600000000 ] - [ 0.0000005600000000, 0.0000001100000000, 0.0000377100000000 ] - [ -0.0000003900000000, 0.0000000000000000, 0.0000734500000000 ] - [ 0.0000012700000000, 0.0000000100000000, 0.0004408300000000 ] - [ -0.0000001200000000, 0.0000000900000000, 0.0003176800000000 ] - [ 0.0000006600000000, 0.0000002700000000, 0.0003268100000000 ] - [ 0.0000007200000000, -0.0000000600000000, 0.0002130900000000 ] - [ -0.0000718300000000, 0.0000006900000000, 0.0000715300000000 ] - [ -0.0000008700000000, -0.0000001000000000, -0.0002781600000000 ] - [ -0.0000001500000000, -0.0000001100000000, -0.0007671600000000 ] - [ 0.0000011800000000, -0.0000001800000000, -0.0002054100000000 ] - [ -0.0000019100000000, -0.0000000400000000, -0.0000936200000000 ] - [ 0.0000008400000000, 0.0000000500000000, 0.0002367400000000 ] - [ 0.0000004700000000, 0.0000001200000000, 0.0006153900000000 ] - [ 0.0008916500000000, -0.0000110600000000, -0.0000642000000000 ] - [ 0.0000002900000000, -0.0000001100000000, 0.0007832000000000 ] - [ -0.0121665000000000, 0.0001688000000000, 0.0004485900000000 ] - [ 0.0008221100000000, 0.0000522700000000, -0.0001560100000000 ] - [ 0.0000002600000000, 0.0000001600000000, 0.0000470700000000 ] - [ 0.0000003200000000, -0.0000000900000000, -0.0002625500000000 ] - [ 0.0000005000000000, 0.0000000000000000, 0.0000775000000000 ] - [ -0.0000000300000000, 0.0000001300000000, 0.0001935100000000 ] - [ 0.0000014600000000, -0.0000000400000000, 0.0000723000000000 ] - [ -0.0000714900000000, -0.0000001000000000, -0.0000479300000000 ] - [ 0.0000016700000000, -0.0000003300000000, 0.0001970900000000 ] - [ 0.0000006400000000, -0.0000001500000000, 0.0002125800000000 ] - [ -0.0000002800000000, -0.0000001400000000, 0.0003670000000000 ] - [ 0.0000006300000000, 0.0000000800000000, 0.0004001200000000 ] - [ 0.0000002100000000, -0.0000002000000000, 0.0000168500000000 ] - [ 0.0000012400000000, 0.0000000400000000, 0.0001497800000000 ] - [ 0.0000008200000000, 0.0000000300000000, 0.0001395700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002745900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001245700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002013300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003935900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008133600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004057800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000663500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012804600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0296180900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003947600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003777300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006649400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001884500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003330000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001365600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005493800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005914000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004651900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004750100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003608000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002725700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006200300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000535300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003870900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007633500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009313300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0418828200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001153300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002283500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003425300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003625800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005140900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005502700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001670200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002912700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003171900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003895700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001858800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000789400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004760800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002151700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004875300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006333500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001638800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002618500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002906700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001702000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000650700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001293700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004267500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009159500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003525700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002405100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000879200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004659000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017646200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006360700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426289100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103425100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001024100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000699400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000422000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000780200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002490700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000507000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002171800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002488500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000096600000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001700000000, 0.0000001400000000, 0.0000220000000000 ] - [ -0.0000002800000000, -0.0000003700000000, 0.0001741100000000 ] - [ -0.0000002300000000, 0.0000001000000000, 0.0000947100000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0000952600000000 ] - [ -0.0000742500000000, 0.0000011500000000, -0.0001099100000000 ] - [ -0.0000000200000000, 0.0000012000000000, -0.0005170700000000 ] - [ 0.0000013100000000, -0.0000003400000000, -0.0001092200000000 ] - [ 0.0000002700000000, -0.0000003400000000, 0.0000907300000000 ] - [ 0.0000012700000000, -0.0000003700000000, 0.0002303400000000 ] - [ -0.0000006900000000, 0.0000001100000000, -0.0002168300000000 ] - [ -0.0000002800000000, 0.0000001300000000, -0.0009850600000000 ] - [ 0.0109642800000000, 0.0002038500000000, -0.0002399400000000 ] - [ 0.0000002200000000, 0.0000000400000000, -0.0000989000000000 ] - [ -0.0000294200000000, -0.0000001300000000, -0.0005351700000000 ] - [ -0.0000004500000000, -0.0000003400000000, -0.0000807100000000 ] - [ 0.0000006700000000, -0.0000004600000000, 0.0000968100000000 ] - [ 0.0000002300000000, -0.0000003800000000, -0.0003710600000000 ] - [ -0.0000000200000000, 0.0000000300000000, -0.0003389300000000 ] - [ -0.0000005400000000, 0.0000000500000000, -0.0004845300000000 ] - [ -0.0000004900000000, 0.0000000200000000, -0.0000155400000000 ] - [ 0.0000872200000000, 0.0000003300000000, 0.0004047600000000 ] - [ -0.0000001600000000, 0.0000002900000000, 0.0000377600000000 ] - [ -0.0000017000000000, 0.0000001700000000, 0.0000734900000000 ] - [ -0.0000003100000000, 0.0000002000000000, 0.0004406700000000 ] - [ 0.0000001400000000, 0.0000002700000000, 0.0003177100000000 ] - [ -0.0000006400000000, 0.0000004500000000, 0.0003269100000000 ] - [ 0.0000017100000000, 0.0000001100000000, 0.0002131300000000 ] - [ 0.0008958900000000, -0.0000086200000000, 0.0000584900000000 ] - [ 0.0000004200000000, 0.0000000700000000, -0.0002783300000000 ] - [ 0.0000011800000000, 0.0000000700000000, -0.0007670900000000 ] - [ -0.0000001400000000, 0.0000000000000000, -0.0002056400000000 ] - [ 0.0000020400000000, 0.0000001600000000, -0.0000935700000000 ] - [ 0.0000003300000000, 0.0000002300000000, 0.0002365400000000 ] - [ -0.0000005300000000, 0.0000003000000000, 0.0006154600000000 ] - [ 0.0000899900000000, -0.0000003700000000, -0.0000718700000000 ] - [ 0.0000000200000000, 0.0000000700000000, 0.0007830400000000 ] - [ 0.0008213500000000, -0.0000518300000000, 0.0002170500000000 ] - [ -0.0127646700000000, -0.0001475400000000, -0.0003815900000000 ] - [ -0.0000006100000000, 0.0000003400000000, 0.0000471500000000 ] - [ 0.0000011600000000, 0.0000000900000000, -0.0002624800000000 ] - [ 0.0000003200000000, 0.0000001800000000, 0.0000772600000000 ] - [ 0.0000001000000000, 0.0000003100000000, 0.0001936100000000 ] - [ 0.0000016700000000, 0.0000001600000000, 0.0000722000000000 ] - [ 0.0000012200000000, 0.0000001600000000, -0.0000476700000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0001969200000000 ] - [ 0.0000005600000000, 0.0000000200000000, 0.0002126200000000 ] - [ 0.0000010900000000, 0.0000000400000000, 0.0003670900000000 ] - [ -0.0000012400000000, 0.0000002600000000, 0.0004001800000000 ] - [ 0.0000006400000000, -0.0000000200000000, 0.0000166400000000 ] - [ 0.0000005300000000, 0.0000002100000000, 0.0001496000000000 ] - [ 0.0000000400000000, 0.0000002200000000, 0.0001393600000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002692100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004015800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002007000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000609500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005088000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012765700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298974900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001968400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001916800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001318100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005873100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001817300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004618900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004693600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003574400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017669700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000580700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007585700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009287400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104039600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426257700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001896500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001180500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002255900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003386800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002209000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000939500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003427200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003587400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005114300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001649000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002868700000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003136400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004674800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002271500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001836100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003828700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005224400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006926800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306313900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001934700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002132400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003903200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000787800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004840100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006283200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001580800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002220200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001082000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000721800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002948800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001723300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016728400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004242500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002396300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000909100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004691200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0419978100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000998300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004093200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000659900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000440600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001891400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000652000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002176700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002519800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000035500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000045500000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000749900000000, -0.0000013800000000, 0.0000198200000000 ] - [ 0.0000009800000000, -0.0000004200000000, 0.0001733700000000 ] - [ 0.0000000700000000, 0.0000000500000000, 0.0000954100000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0000959000000000 ] - [ 0.0000011600000000, -0.0000004900000000, -0.0001063400000000 ] - [ -0.0000013000000000, 0.0000005300000000, -0.0005182600000000 ] - [ 0.0109638900000000, -0.0002039900000000, 0.0001321600000000 ] - [ 0.0000005200000000, -0.0000003900000000, 0.0000885500000000 ] - [ 0.0000007000000000, -0.0000004700000000, 0.0002312300000000 ] - [ -0.0000012700000000, 0.0000000300000000, -0.0002159900000000 ] - [ -0.0000002800000000, 0.0000000700000000, -0.0009840800000000 ] - [ -0.0000011100000000, 0.0000001100000000, -0.0004799100000000 ] - [ -0.0000303900000000, -0.0000002700000000, -0.0000979800000000 ] - [ 0.0000003000000000, -0.0000004800000000, -0.0005345700000000 ] - [ 0.0000009700000000, -0.0000003800000000, -0.0000799800000000 ] - [ 0.0000001700000000, -0.0000005600000000, 0.0000962700000000 ] - [ 0.0000008600000000, -0.0000004100000000, -0.0003704400000000 ] - [ 0.0000002500000000, -0.0000000200000000, -0.0003385000000000 ] - [ -0.0000021900000000, -0.0000000100000000, -0.0004841400000000 ] - [ 0.0008217100000000, 0.0000520600000000, 0.0000081500000000 ] - [ 0.0000002400000000, 0.0000000400000000, 0.0004029200000000 ] - [ 0.0000010400000000, 0.0000002400000000, 0.0000372800000000 ] - [ 0.0000006000000000, 0.0000001400000000, 0.0000706900000000 ] - [ 0.0000003100000000, 0.0000001400000000, 0.0004417300000000 ] - [ 0.0000006600000000, 0.0000001900000000, 0.0003168600000000 ] - [ 0.0000016900000000, 0.0000004000000000, 0.0003269800000000 ] - [ 0.0000003700000000, 0.0000000800000000, 0.0002124000000000 ] - [ -0.0000006200000000, 0.0000000200000000, 0.0000737800000000 ] - [ -0.0000001700000000, 0.0000000400000000, -0.0002775600000000 ] - [ 0.0000906100000000, -0.0000002200000000, -0.0007681500000000 ] - [ -0.0000001200000000, -0.0000000600000000, -0.0002057500000000 ] - [ -0.0000004800000000, 0.0000001100000000, -0.0000947000000000 ] - [ -0.0000003700000000, 0.0000001700000000, 0.0002368800000000 ] - [ 0.0000017300000000, 0.0000002200000000, 0.0006151800000000 ] - [ 0.0000006100000000, 0.0000001900000000, -0.0000735600000000 ] - [ -0.0000003700000000, 0.0000000200000000, 0.0007835200000000 ] - [ -0.0000000400000000, 0.0000002400000000, 0.0001953800000000 ] - [ -0.0000002900000000, 0.0000000600000000, -0.0001342700000000 ] - [ -0.0127653900000000, 0.0001446800000000, -0.0001994600000000 ] - [ 0.0000006000000000, 0.0000000300000000, -0.0002628700000000 ] - [ 0.0000008100000000, 0.0000000400000000, 0.0000775800000000 ] - [ -0.0000012200000000, 0.0000002700000000, 0.0001920500000000 ] - [ 0.0000006600000000, 0.0000000900000000, 0.0000741900000000 ] - [ -0.0000005600000000, 0.0000000100000000, -0.0000468500000000 ] - [ 0.0000006700000000, -0.0000002300000000, 0.0001962700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0002104900000000 ] - [ 0.0000911400000000, 0.0000006100000000, 0.0003669200000000 ] - [ 0.0000012100000000, 0.0000002500000000, 0.0003992200000000 ] - [ 0.0000002500000000, -0.0000000700000000, 0.0000172500000000 ] - [ 0.0000003200000000, 0.0000001500000000, 0.0001502500000000 ] - [ 0.0008955200000000, 0.0000088600000000, 0.0001264800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000372400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001190100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001968600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003977100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008082800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302646500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000609000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005079800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007734600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004093500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003368200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101978000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001825800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004631800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004697800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003580700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002170300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001322100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005860800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000564400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000512100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003838600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424555200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001181700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003369100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002186100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000975000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005475600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001656200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002968700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018409900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000017100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004670100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002239500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302575000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005223400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000751200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006925700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001877300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002120200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002437400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000801400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004851700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006298700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100398000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002577200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001083300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000742200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002935600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001717600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000673400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000740100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004241800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009535300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003504400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002387400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000903900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004687300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002191800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006389900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000472000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421977900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004085400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000634800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000744600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001942900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000525200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001816600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002516500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001286200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016086600000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002400000000, 0.0000003000000000, 0.0000227900000000 ] - [ 0.0000008200000000, -0.0000003200000000, 0.0001733600000000 ] - [ 0.0109600900000000, 0.0002038100000000, 0.0003361500000000 ] - [ 0.0000012300000000, -0.0000001800000000, -0.0000959000000000 ] - [ 0.0000006400000000, -0.0000003900000000, -0.0001063400000000 ] - [ -0.0000004700000000, 0.0000006300000000, -0.0005182800000000 ] - [ 0.0000003000000000, -0.0000001900000000, -0.0001086100000000 ] - [ 0.0000012500000000, -0.0000002800000000, 0.0000885400000000 ] - [ -0.0000738800000000, 0.0000012300000000, 0.0002282700000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0002160200000000 ] - [ -0.0000001700000000, 0.0000001700000000, -0.0009841100000000 ] - [ 0.0000000700000000, 0.0000002100000000, -0.0004799000000000 ] - [ -0.0000006000000000, 0.0000000600000000, -0.0000980700000000 ] - [ -0.0000004000000000, -0.0000003800000000, -0.0005345700000000 ] - [ -0.0000292800000000, -0.0000000300000000, -0.0000798700000000 ] - [ -0.0000003600000000, -0.0000004600000000, 0.0000962700000000 ] - [ 0.0000011000000000, -0.0000003000000000, -0.0003704500000000 ] - [ 0.0008906000000000, -0.0000085900000000, -0.0003517000000000 ] - [ 0.0000012300000000, 0.0000002100000000, -0.0004836600000000 ] - [ 0.0000004100000000, 0.0000000600000000, -0.0000150900000000 ] - [ -0.0000008400000000, 0.0000001400000000, 0.0004029200000000 ] - [ 0.0000899100000000, 0.0000005800000000, 0.0000365000000000 ] - [ -0.0000007400000000, 0.0000002400000000, 0.0000706900000000 ] - [ 0.0000000800000000, 0.0000002400000000, 0.0004417200000000 ] - [ 0.0000002400000000, 0.0000002900000000, 0.0003168600000000 ] - [ -0.0000000800000000, 0.0000005100000000, 0.0003269500000000 ] - [ 0.0000021900000000, 0.0000001800000000, 0.0002123900000000 ] - [ 0.0000006500000000, 0.0000001200000000, 0.0000737600000000 ] - [ 0.0000000700000000, 0.0000001400000000, -0.0002775700000000 ] - [ 0.0000020200000000, 0.0000001200000000, -0.0007673800000000 ] - [ -0.0000000500000000, 0.0000000400000000, -0.0002057600000000 ] - [ 0.0000014400000000, 0.0000002100000000, -0.0000947000000000 ] - [ 0.0008210400000000, -0.0000518200000000, 0.0002600900000000 ] - [ 0.0000898200000000, -0.0000002900000000, 0.0006154600000000 ] - [ 0.0000000400000000, 0.0000002900000000, -0.0000735600000000 ] - [ -0.0000006600000000, 0.0000001200000000, 0.0007835400000000 ] - [ -0.0000004200000000, 0.0000003400000000, 0.0001953700000000 ] - [ 0.0000012000000000, 0.0000001600000000, -0.0001342700000000 ] - [ 0.0000001800000000, 0.0000004000000000, 0.0000468300000000 ] - [ -0.0127568700000000, -0.0001494900000000, -0.0005099300000000 ] - [ 0.0000005300000000, 0.0000002300000000, 0.0000781300000000 ] - [ -0.0000006300000000, 0.0000003700000000, 0.0001920400000000 ] - [ -0.0000004100000000, 0.0000001800000000, 0.0000741800000000 ] - [ 0.0000007300000000, 0.0000001100000000, -0.0000468500000000 ] - [ -0.0000006200000000, -0.0000001200000000, 0.0001962800000000 ] - [ -0.0000003500000000, 0.0000000600000000, 0.0002104700000000 ] - [ 0.0000016600000000, 0.0000000900000000, 0.0003666100000000 ] - [ -0.0000005400000000, 0.0000003500000000, 0.0003992000000000 ] - [ 0.0000005900000000, 0.0000000300000000, 0.0000172400000000 ] - [ -0.0000024300000000, 0.0000002600000000, 0.0001503100000000 ] - [ -0.0000003200000000, 0.0000002600000000, 0.0001396900000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002701800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001182400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304725100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008065500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004009100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002443500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005088100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012770600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007717000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003913600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001323700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005529600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005863600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004633300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006214800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000579000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104430800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000738700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003385700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001912200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427424000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002257300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003383800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002168200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003415200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003585600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005112800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005457800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001642900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002949700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002860000000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300555500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001971200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001848800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002247500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000748200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001900200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002435500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002295900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003913100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020770400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001641400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002928300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001726200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001825300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000677500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000760900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009124600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002388700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097868900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004324900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002174700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006357300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000465100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002780900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418865000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000746700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000506900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000671600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002226100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002546100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001322300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000023000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000088600000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000500000000, -0.0000000200000000, 0.0000217200000000 ] - [ 0.0000016400000000, -0.0000005300000000, 0.0001738400000000 ] - [ -0.0000005200000000, -0.0000000400000000, 0.0000944300000000 ] - [ -0.0001883300000000, 0.0000016700000000, -0.0000946000000000 ] - [ 0.0000009900000000, -0.0000006000000000, -0.0001072600000000 ] - [ -0.0000008300000000, 0.0000004600000000, -0.0005161700000000 ] - [ 0.0000236600000000, -0.0000005800000000, -0.0001096100000000 ] - [ 0.0000015800000000, -0.0000004800000000, 0.0000904700000000 ] - [ 0.0000005100000000, -0.0000005200000000, 0.0002300500000000 ] - [ -0.0000000200000000, -0.0000000400000000, -0.0002171100000000 ] - [ 0.0000003200000000, -0.0000000200000000, -0.0009853400000000 ] - [ 0.0000003200000000, -0.0000000100000000, -0.0004810000000000 ] - [ 0.0107455500000000, -0.0002059400000000, -0.0003397300000000 ] - [ 0.0000005800000000, -0.0000005300000000, -0.0005355300000000 ] - [ 0.0000011000000000, -0.0000004900000000, -0.0000810000000000 ] - [ 0.0000018200000000, -0.0000012100000000, 0.0000976900000000 ] - [ 0.0000015900000000, -0.0000005300000000, -0.0003713400000000 ] - [ 0.0000002300000000, -0.0000001200000000, -0.0003386800000000 ] - [ -0.0000007600000000, -0.0000000900000000, -0.0004842700000000 ] - [ -0.0000723300000000, 0.0000006700000000, -0.0000155800000000 ] - [ -0.0000003100000000, -0.0000000600000000, 0.0004053800000000 ] - [ -0.0000001000000000, 0.0000001400000000, 0.0000376400000000 ] - [ 0.0000004400000000, 0.0000000300000000, 0.0000733300000000 ] - [ 0.0000009400000000, 0.0000000500000000, 0.0004408900000000 ] - [ -0.0000005800000000, 0.0000001200000000, 0.0003175800000000 ] - [ 0.0008957900000000, -0.0000108700000000, 0.0003347100000000 ] - [ 0.0000009800000000, -0.0000000300000000, 0.0002130000000000 ] - [ 0.0000011400000000, -0.0000000800000000, 0.0000719100000000 ] - [ 0.0000008000000000, -0.0000000800000000, -0.0002781100000000 ] - [ 0.0000002400000000, -0.0000000800000000, -0.0007672500000000 ] - [ -0.0000698500000000, -0.0000001900000000, -0.0002052300000000 ] - [ 0.0000005600000000, 0.0000000200000000, -0.0000937000000000 ] - [ 0.0000014000000000, 0.0000000800000000, 0.0002368000000000 ] - [ 0.0000002400000000, 0.0000001500000000, 0.0006153100000000 ] - [ -0.0000004600000000, 0.0000001000000000, -0.0000722900000000 ] - [ -0.0000010900000000, -0.0000000900000000, 0.0007832200000000 ] - [ 0.0000008200000000, 0.0000001200000000, 0.0001940300000000 ] - [ 0.0000010300000000, -0.0000000100000000, -0.0001328700000000 ] - [ 0.0000011100000000, 0.0000003400000000, 0.0000475400000000 ] - [ 0.0000012100000000, -0.0000000600000000, -0.0002626300000000 ] - [ -0.0121762700000000, 0.0001673800000000, 0.0003323900000000 ] - [ -0.0000035600000000, 0.0000001800000000, 0.0001933700000000 ] - [ 0.0000001000000000, -0.0000000100000000, 0.0000723700000000 ] - [ 0.0000011200000000, -0.0000000900000000, -0.0000479900000000 ] - [ -0.0000010300000000, -0.0000003000000000, 0.0001970700000000 ] - [ 0.0000005100000000, -0.0000001300000000, 0.0002124800000000 ] - [ 0.0008238800000000, 0.0000522200000000, 0.0003436700000000 ] - [ -0.0000001000000000, 0.0000001200000000, 0.0004000400000000 ] - [ 0.0000020500000000, -0.0000001600000000, 0.0000168800000000 ] - [ 0.0000008600000000, 0.0000000700000000, 0.0001498400000000 ] - [ 0.0000010900000000, 0.0000000600000000, 0.0001396200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002751000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001232100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002027300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001521300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004028400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008140700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004166300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002060300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005137000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012814900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007776800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008317500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003778000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006678300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001879300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003335200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001840200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005925100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020873200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003601400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002216300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001269800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006220200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000036900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000529300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003878500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007613800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009313000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003446300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000150800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001872100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001158000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003452600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002219700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001033400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0103929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001688100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003007100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002923200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003174500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004691900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003905400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000357700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001871400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002201800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001963400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003855900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000786500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006898700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304264800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003937000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000761300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006340300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002173200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002578400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001088300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000753200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002887600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001716000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013892700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000660000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004292200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009136800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004029900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002399800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004683200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002181800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006356200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002798000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000939900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004097500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000398400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000497300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000638400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098465700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002514500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001330500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000117800000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001500000000, 0.0000002000000000, 0.0000228300000000 ] - [ 0.0109518700000000, -0.0002039000000000, 0.0004141900000000 ] - [ -0.0000003700000000, 0.0000000500000000, 0.0000954400000000 ] - [ -0.0002760100000000, -0.0000004300000000, -0.0000989600000000 ] - [ 0.0000001400000000, -0.0000004900000000, -0.0001063100000000 ] - [ -0.0000011500000000, 0.0000005300000000, -0.0005182300000000 ] - [ 0.0000019000000000, -0.0000002900000000, -0.0001068400000000 ] - [ 0.0000010200000000, -0.0000003900000000, 0.0000885700000000 ] - [ 0.0000011200000000, -0.0000004700000000, 0.0002312600000000 ] - [ 0.0000004100000000, 0.0000000300000000, -0.0002159800000000 ] - [ -0.0000013400000000, 0.0000000800000000, -0.0009840600000000 ] - [ 0.0000004800000000, 0.0000001100000000, -0.0004798700000000 ] - [ 0.0000007600000000, -0.0000000400000000, -0.0000980500000000 ] - [ 0.0000005700000000, -0.0000004800000000, -0.0005345500000000 ] - [ 0.0000012300000000, -0.0000003800000000, -0.0000799500000000 ] - [ 0.0000076800000000, -0.0000009900000000, 0.0000964000000000 ] - [ 0.0000011400000000, -0.0000004100000000, -0.0003704100000000 ] - [ 0.0000006500000000, -0.0000000200000000, -0.0003384800000000 ] - [ 0.0000007200000000, 0.0000000100000000, -0.0004841900000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0000150800000000 ] - [ 0.0000012400000000, 0.0000000500000000, 0.0004029200000000 ] - [ 0.0000007600000000, 0.0000002400000000, 0.0000372900000000 ] - [ -0.0000012500000000, 0.0000001400000000, 0.0000706900000000 ] - [ -0.0000008000000000, 0.0000001400000000, 0.0004417500000000 ] - [ 0.0000008300000000, 0.0000001800000000, 0.0003168800000000 ] - [ -0.0000365900000000, 0.0000008900000000, 0.0003262500000000 ] - [ -0.0000002700000000, 0.0000000900000000, 0.0002124100000000 ] - [ 0.0000008600000000, 0.0000000300000000, 0.0000738000000000 ] - [ 0.0000003700000000, 0.0000000400000000, -0.0002775500000000 ] - [ -0.0000008600000000, 0.0000000200000000, -0.0007673600000000 ] - [ 0.0012100800000000, 0.0000059000000000, -0.0002182000000000 ] - [ -0.0000001600000000, 0.0000001100000000, -0.0000946900000000 ] - [ -0.0000004400000000, 0.0000001700000000, 0.0002369000000000 ] - [ -0.0000003600000000, 0.0000002300000000, 0.0006152000000000 ] - [ 0.0000007500000000, 0.0000001900000000, -0.0000735400000000 ] - [ -0.0000005500000000, 0.0000000200000000, 0.0007835500000000 ] - [ -0.0000003300000000, 0.0000002400000000, 0.0001953900000000 ] - [ 0.0000003000000000, 0.0000000600000000, -0.0001342600000000 ] - [ -0.0000012800000000, 0.0000003000000000, 0.0000468700000000 ] - [ -0.0000002900000000, 0.0000000400000000, -0.0002628500000000 ] - [ -0.0000037600000000, 0.0000001300000000, 0.0000782300000000 ] - [ -0.0127216500000000, 0.0001452000000000, -0.0000590400000000 ] - [ 0.0000005000000000, 0.0000000800000000, 0.0000742100000000 ] - [ 0.0000007000000000, 0.0000000200000000, -0.0000468200000000 ] - [ -0.0000073200000000, -0.0000002700000000, 0.0001968200000000 ] - [ 0.0000018800000000, -0.0000000400000000, 0.0002104800000000 ] - [ -0.0000007800000000, 0.0000000000000000, 0.0003666500000000 ] - [ -0.0000388900000000, 0.0000015300000000, 0.0003993500000000 ] - [ 0.0009073000000000, 0.0000513100000000, 0.0000409500000000 ] - [ -0.0000007800000000, 0.0000001500000000, 0.0001502600000000 ] - [ 0.0000000700000000, 0.0000001600000000, 0.0001397000000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002735800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305667800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008108100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004010000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002039500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000643500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012814500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007751200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003915300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008299400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002109600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006653900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003360800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001319200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005535000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005881600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001305800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006202400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015797600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003838800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007624200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000746400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009286900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003419800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000137100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001936400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001163600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002203500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001009800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003413100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005843500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102434300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002868100000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299925500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000267900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001884300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002197500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001864700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005255400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000789900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006883500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002402400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004881300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001631400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001095700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000740300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002924800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000676900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004269600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020413900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000883500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004687200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006365500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000450900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002790600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000995000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004079100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000754000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423802200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001974200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002197300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002165200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100257900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000013100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000090000000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006500000000, -0.0000000200000000, 0.0000214300000000 ] - [ 0.0000011500000000, -0.0000005100000000, 0.0001735500000000 ] - [ -0.0000000900000000, -0.0000000400000000, 0.0000941400000000 ] - [ 0.0000002600000000, -0.0000003900000000, -0.0000958200000000 ] - [ -0.0002783800000000, -0.0000004600000000, -0.0001044500000000 ] - [ -0.0000303100000000, 0.0000007100000000, -0.0005165400000000 ] - [ 0.0000007600000000, -0.0000004900000000, -0.0001097800000000 ] - [ 0.0109377500000000, 0.0002029500000000, -0.0001505600000000 ] - [ 0.0000011600000000, -0.0000005100000000, 0.0002297700000000 ] - [ 0.0000000400000000, -0.0000000300000000, -0.0002173900000000 ] - [ -0.0000002400000000, -0.0000000100000000, -0.0009856200000000 ] - [ -0.0000007900000000, 0.0000000100000000, -0.0004812600000000 ] - [ -0.0000003900000000, -0.0000001000000000, -0.0000994800000000 ] - [ 0.0000017000000000, -0.0000011200000000, -0.0005346500000000 ] - [ 0.0000011300000000, -0.0000004900000000, -0.0000812800000000 ] - [ 0.0000007000000000, -0.0000006100000000, 0.0000962400000000 ] - [ 0.0000013800000000, -0.0000005200000000, -0.0003716200000000 ] - [ 0.0000010800000000, -0.0000001100000000, -0.0003385100000000 ] - [ 0.0000011900000000, -0.0000000900000000, -0.0004841100000000 ] - [ 0.0000011100000000, -0.0000001200000000, -0.0000151000000000 ] - [ 0.0012262100000000, -0.0000060200000000, 0.0004181000000000 ] - [ 0.0000005000000000, 0.0000001400000000, 0.0000377600000000 ] - [ 0.0008150500000000, -0.0000520600000000, 0.0000497900000000 ] - [ 0.0000011600000000, 0.0000000600000000, 0.0004410600000000 ] - [ 0.0000005300000000, 0.0000001200000000, 0.0003177100000000 ] - [ 0.0000007700000000, 0.0000003000000000, 0.0003269000000000 ] - [ 0.0000002100000000, -0.0000000300000000, 0.0002131300000000 ] - [ -0.0000446000000000, -0.0000005100000000, 0.0000727800000000 ] - [ -0.0000000100000000, -0.0000000700000000, -0.0002779300000000 ] - [ -0.0000002800000000, -0.0000000800000000, -0.0007671200000000 ] - [ 0.0000016400000000, -0.0000001400000000, -0.0002052300000000 ] - [ 0.0000005500000000, 0.0000000200000000, -0.0000935700000000 ] - [ 0.0000007300000000, 0.0000000800000000, 0.0002369700000000 ] - [ 0.0000001900000000, 0.0000001600000000, 0.0006154400000000 ] - [ -0.0000000700000000, 0.0000001000000000, -0.0000721600000000 ] - [ 0.0000877100000000, -0.0000007000000000, 0.0007830700000000 ] - [ 0.0000011100000000, 0.0000001200000000, 0.0001942100000000 ] - [ 0.0000017900000000, -0.0000000400000000, -0.0001327800000000 ] - [ 0.0000005500000000, 0.0000001900000000, 0.0000471300000000 ] - [ -0.0000000400000000, -0.0000000600000000, -0.0002625000000000 ] - [ -0.0000001700000000, 0.0000000400000000, 0.0000777200000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0001935600000000 ] - [ -0.0127367100000000, -0.0001394100000000, 0.0003214700000000 ] - [ -0.0000009500000000, -0.0000000800000000, -0.0000478200000000 ] - [ 0.0000019000000000, -0.0000003000000000, 0.0001972200000000 ] - [ 0.0000017800000000, -0.0000000300000000, 0.0002120700000000 ] - [ 0.0000001500000000, -0.0000001100000000, 0.0003670700000000 ] - [ -0.0000001900000000, 0.0000001200000000, 0.0004001800000000 ] - [ -0.0000008800000000, -0.0000001600000000, 0.0000170500000000 ] - [ 0.0000007700000000, 0.0000000700000000, 0.0001500100000000 ] - [ 0.0000004400000000, 0.0000000700000000, 0.0001397800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002738600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001237400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002016800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003933800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001776400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008299600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302338300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000661800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005123900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012815900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007775200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003959000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008287300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003768600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002011900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006674100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001894100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003345100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022373600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101088900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005896700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004659700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004758700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002621000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006191400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000580400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003864200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007632000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000751800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009659300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000169400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001962100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001150000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002246400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003443400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420806300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001005500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003433700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003573900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005157500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005503400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001630900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002985200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002879500000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003158100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004693200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003894200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002047000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005253900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000772000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001966500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002137200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003916300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004898900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006360500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001087600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101464200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002901500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001714300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001793500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000677000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009129700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003541400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000850700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004693600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005992500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000430400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002799700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000999400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004079900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000721800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000454200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425927900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002205200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000110400000000 ]- atom: 44 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002000000000, 0.0000001500000000, 0.0000225800000000 ] - [ 0.0000007900000000, -0.0000004600000000, 0.0001731300000000 ] - [ 0.0000006400000000, 0.0000000000000000, 0.0000951900000000 ] - [ 0.0000013300000000, -0.0000003100000000, -0.0000961200000000 ] - [ 0.0000007000000000, -0.0000005300000000, -0.0001065600000000 ] - [ 0.0000002800000000, 0.0000004900000000, -0.0005184900000000 ] - [ 0.0000007600000000, -0.0000003300000000, -0.0001088300000000 ] - [ 0.0000010900000000, -0.0000004300000000, 0.0000883200000000 ] - [ 0.0000007800000000, -0.0000005100000000, 0.0002310100000000 ] - [ 0.0000008700000000, 0.0000005900000000, -0.0002150700000000 ] - [ -0.0001884000000000, -0.0000020300000000, -0.0009833100000000 ] - [ 0.0000225600000000, 0.0000001600000000, -0.0004802400000000 ] - [ 0.0000004000000000, -0.0000000800000000, -0.0000982800000000 ] - [ 0.0107410200000000, 0.0002052200000000, -0.0007752400000000 ] - [ 0.0000008400000000, -0.0000004300000000, -0.0000801900000000 ] - [ 0.0000006700000000, -0.0000006000000000, 0.0000960400000000 ] - [ 0.0000011100000000, -0.0000004600000000, -0.0003706500000000 ] - [ 0.0000014100000000, -0.0000000700000000, -0.0003384100000000 ] - [ 0.0000010600000000, -0.0000000300000000, -0.0004841200000000 ] - [ 0.0000010200000000, -0.0000000700000000, -0.0000150000000000 ] - [ -0.0000003100000000, 0.0000000100000000, 0.0004030200000000 ] - [ 0.0000002300000000, 0.0000001900000000, 0.0000373700000000 ] - [ 0.0000001300000000, 0.0000001000000000, 0.0000707900000000 ] - [ -0.0000720500000000, 0.0000001000000000, 0.0004419600000000 ] - [ -0.0000024100000000, 0.0000001700000000, 0.0003169400000000 ] - [ -0.0000006900000000, 0.0000003800000000, 0.0003270500000000 ] - [ 0.0000001300000000, 0.0000000400000000, 0.0002125000000000 ] - [ 0.0000013000000000, -0.0000000200000000, 0.0000738500000000 ] - [ 0.0000014400000000, 0.0000000000000000, -0.0002774700000000 ] - [ 0.0000006900000000, -0.0000000200000000, -0.0007672700000000 ] - [ 0.0000006800000000, -0.0000001000000000, -0.0002056700000000 ] - [ 0.0008937800000000, 0.0000112100000000, -0.0000866200000000 ] - [ -0.0000004100000000, 0.0000001300000000, 0.0002369700000000 ] - [ -0.0000002200000000, 0.0000001900000000, 0.0006152800000000 ] - [ 0.0008212500000000, -0.0000521500000000, -0.0000966900000000 ] - [ -0.0000010300000000, -0.0000000300000000, 0.0007836200000000 ] - [ -0.0000720300000000, -0.0000005800000000, 0.0001951400000000 ] - [ 0.0000014200000000, -0.0000001300000000, -0.0001347200000000 ] - [ -0.0000006100000000, 0.0000002500000000, 0.0000469500000000 ] - [ 0.0000008500000000, -0.0000000100000000, -0.0002627800000000 ] - [ 0.0000008100000000, 0.0000000900000000, 0.0000782200000000 ] - [ 0.0000005400000000, 0.0000002300000000, 0.0001921400000000 ] - [ -0.0000007800000000, 0.0000000400000000, 0.0000742800000000 ] - [ -0.0121634200000000, -0.0001602500000000, 0.0002089700000000 ] - [ 0.0000000400000000, -0.0000002700000000, 0.0001963600000000 ] - [ 0.0000010300000000, -0.0000000800000000, 0.0002105800000000 ] - [ 0.0000004200000000, -0.0000000500000000, 0.0003667200000000 ] - [ -0.0000003100000000, 0.0000002100000000, 0.0003993100000000 ] - [ 0.0000010000000000, -0.0000001100000000, 0.0000173400000000 ] - [ -0.0000013200000000, 0.0000001100000000, 0.0001503300000000 ] - [ 0.0000007400000000, 0.0000001100000000, 0.0001397700000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003932800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004039300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008132300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002066000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010401400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007881000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003956000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0295631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003770700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002028000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006671400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001895200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003347700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001358100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006425600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004648800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004732600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002214300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016504700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003857500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007624500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009301200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003942400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001937600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002203200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421045500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003448400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005135900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001670500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002981100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002898200000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003179800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004711000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002205200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001862700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003863800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005265000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009263800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001968500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308637100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003941700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006326400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001640700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002573000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000754800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002403800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001709100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001783900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004276200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009161200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003535700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000882400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004675500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102802200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006368300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002746200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001012400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004110100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000425000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000758200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423737900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000624600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002183000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000014900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000092600000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004900000000, 0.0000000300000000, 0.0000214400000000 ] - [ 0.0000071200000000, -0.0000000400000000, 0.0001734500000000 ] - [ 0.0000006200000000, -0.0000000100000000, 0.0000941500000000 ] - [ 0.0000008400000000, -0.0000003400000000, -0.0000958300000000 ] - [ 0.0000016900000000, -0.0000011600000000, -0.0001063800000000 ] - [ -0.0000742800000000, 0.0000021000000000, -0.0005135400000000 ] - [ 0.0000002400000000, -0.0000004400000000, -0.0001097900000000 ] - [ 0.0000011000000000, -0.0000004400000000, 0.0000901800000000 ] - [ 0.0000010700000000, -0.0000004600000000, 0.0002297700000000 ] - [ -0.0000001700000000, 0.0000000100000000, -0.0002174000000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0009856200000000 ] - [ -0.0000002300000000, 0.0000000400000000, -0.0004812800000000 ] - [ 0.0000002100000000, -0.0000000700000000, -0.0000994700000000 ] - [ 0.0000012100000000, -0.0000004800000000, -0.0005358200000000 ] - [ 0.0000006100000000, -0.0000004500000000, -0.0000812700000000 ] - [ 0.0109398800000000, 0.0002026200000000, -0.0001441000000000 ] - [ 0.0000011100000000, -0.0000004800000000, -0.0003716300000000 ] - [ 0.0000011100000000, -0.0000000800000000, -0.0003385900000000 ] - [ 0.0000010600000000, -0.0000000500000000, -0.0004841900000000 ] - [ 0.0000016000000000, -0.0000000800000000, -0.0000151800000000 ] - [ -0.0000002300000000, -0.0000000100000000, 0.0004055700000000 ] - [ 0.0000001300000000, 0.0000001800000000, 0.0000378000000000 ] - [ -0.0000023600000000, 0.0000001000000000, 0.0000734500000000 ] - [ 0.0000007300000000, 0.0000001100000000, 0.0004409900000000 ] - [ 0.0000004200000000, 0.0000001600000000, 0.0003177600000000 ] - [ -0.0000000100000000, 0.0000003500000000, 0.0003269400000000 ] - [ -0.0000001100000000, 0.0000000100000000, 0.0002131800000000 ] - [ -0.0000010600000000, -0.0000000300000000, 0.0000720000000000 ] - [ 0.0000010200000000, -0.0000000300000000, -0.0002780000000000 ] - [ 0.0000000800000000, -0.0000000300000000, -0.0007670600000000 ] - [ 0.0000010900000000, -0.0000001000000000, -0.0002053100000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0000935300000000 ] - [ 0.0000003400000000, 0.0000001300000000, 0.0002368900000000 ] - [ 0.0000004200000000, 0.0000002000000000, 0.0006154900000000 ] - [ 0.0000004500000000, 0.0000001400000000, -0.0000721200000000 ] - [ 0.0000900200000000, 0.0000002000000000, 0.0007841000000000 ] - [ 0.0000010600000000, 0.0000001700000000, 0.0001941300000000 ] - [ 0.0000005600000000, 0.0000000400000000, -0.0001326900000000 ] - [ 0.0000006600000000, 0.0000002300000000, 0.0000471700000000 ] - [ -0.0000003200000000, -0.0000000300000000, -0.0002624500000000 ] - [ -0.0000012400000000, 0.0000000900000000, 0.0000776300000000 ] - [ -0.0000074400000000, 0.0000002500000000, 0.0001930700000000 ] - [ 0.0000021300000000, 0.0000000300000000, 0.0000724700000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0000479000000000 ] - [ -0.0127386500000000, -0.0001412800000000, 0.0004451200000000 ] - [ 0.0008880500000000, -0.0000087300000000, 0.0002258100000000 ] - [ 0.0000004900000000, -0.0000000600000000, 0.0003671200000000 ] - [ 0.0009154800000000, -0.0000511700000000, 0.0003770200000000 ] - [ -0.0000364600000000, -0.0000014100000000, 0.0000168300000000 ] - [ 0.0000006700000000, 0.0000001200000000, 0.0001499400000000 ] - [ -0.0000002300000000, 0.0000001200000000, 0.0001397100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002719700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001321200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001980500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004927200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004029600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002026200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005099300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007742200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003926000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008288200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003742400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302427000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006644100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001910900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003379400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001305100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005532700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001842900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005872400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004648500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002173400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001310400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006201700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003835200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000747000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009673400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003406100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001160400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002220500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003409200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000986900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419720500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019627300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104364700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001989500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002850900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003144600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004770200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003863700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001976700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001829000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003811300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000752800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006936700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001887000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002427400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002115500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302743800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000791200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004887900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006329300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001625900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002605800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000707700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001815100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000698300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004274900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009116000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003523900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000875500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004703600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002164000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000983100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004062900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000692700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000481000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000764500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0427227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014855800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002216400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098214000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001665000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000083400000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004300000000, 0.0000000800000000, 0.0000216700000000 ] - [ 0.0000014800000000, -0.0000004100000000, 0.0001737800000000 ] - [ 0.0000004400000000, 0.0000000600000000, 0.0000943600000000 ] - [ 0.0000016500000000, 0.0000003100000000, -0.0000967500000000 ] - [ 0.0000006600000000, -0.0000005000000000, -0.0001073100000000 ] - [ 0.0107510000000000, 0.0002064800000000, -0.0002756100000000 ] - [ 0.0000014900000000, -0.0000003900000000, -0.0001095600000000 ] - [ 0.0000233800000000, -0.0000002900000000, 0.0000905100000000 ] - [ 0.0000011400000000, -0.0000004200000000, 0.0002300000000000 ] - [ -0.0000012900000000, 0.0000000700000000, -0.0002171700000000 ] - [ 0.0000004100000000, 0.0000000800000000, -0.0009854000000000 ] - [ -0.0000005700000000, 0.0000001000000000, -0.0004810600000000 ] - [ -0.0000001700000000, 0.0000000000000000, -0.0000992500000000 ] - [ 0.0000000500000000, -0.0000004300000000, -0.0005356000000000 ] - [ 0.0000009800000000, -0.0000004000000000, -0.0000810500000000 ] - [ -0.0001866300000000, -0.0000025700000000, 0.0000954900000000 ] - [ 0.0000006600000000, -0.0000004300000000, -0.0003714100000000 ] - [ 0.0000002900000000, -0.0000000200000000, -0.0003386400000000 ] - [ 0.0000005600000000, 0.0000000100000000, -0.0004842500000000 ] - [ 0.0000006300000000, -0.0000000200000000, -0.0000152700000000 ] - [ 0.0000008600000000, 0.0000000400000000, 0.0004054300000000 ] - [ 0.0000008300000000, 0.0000002400000000, 0.0000377000000000 ] - [ -0.0000723300000000, -0.0000006400000000, 0.0000737200000000 ] - [ -0.0000002800000000, 0.0000001500000000, 0.0004409400000000 ] - [ 0.0000007800000000, 0.0000002200000000, 0.0003176500000000 ] - [ -0.0000012300000000, 0.0000004100000000, 0.0003268900000000 ] - [ -0.0000001400000000, 0.0000000700000000, 0.0002130600000000 ] - [ -0.0000002300000000, 0.0000000200000000, 0.0000719700000000 ] - [ 0.0000006600000000, 0.0000000300000000, -0.0002780500000000 ] - [ -0.0000004500000000, 0.0000000300000000, -0.0007671600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002054300000000 ] - [ 0.0000002200000000, 0.0000001200000000, -0.0000936400000000 ] - [ -0.0000006500000000, 0.0000001800000000, 0.0002368300000000 ] - [ 0.0000007200000000, 0.0000002500000000, 0.0006153900000000 ] - [ 0.0000013200000000, 0.0000002000000000, -0.0000722400000000 ] - [ 0.0008224600000000, -0.0000523100000000, 0.0008064900000000 ] - [ 0.0000000700000000, 0.0000002200000000, 0.0001940900000000 ] - [ 0.0000005500000000, 0.0000000900000000, -0.0001328200000000 ] - [ -0.0000003200000000, 0.0000002900000000, 0.0000471000000000 ] - [ -0.0000003100000000, 0.0000000400000000, -0.0002625600000000 ] - [ -0.0000000300000000, 0.0000001400000000, 0.0000775300000000 ] - [ 0.0000017400000000, 0.0000002500000000, 0.0001935400000000 ] - [ 0.0000016500000000, -0.0000000600000000, 0.0000729700000000 ] - [ 0.0000007400000000, 0.0000000200000000, -0.0000479300000000 ] - [ 0.0008877200000000, 0.0000109200000000, 0.0001891100000000 ] - [ -0.0121649100000000, -0.0001626700000000, -0.0000414900000000 ] - [ -0.0000008700000000, 0.0000000000000000, 0.0003670500000000 ] - [ -0.0000696500000000, 0.0000002800000000, 0.0003999900000000 ] - [ -0.0000034900000000, -0.0000000800000000, 0.0000168900000000 ] - [ -0.0000007700000000, 0.0000001600000000, 0.0001499000000000 ] - [ -0.0000004000000000, 0.0000001700000000, 0.0001396300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002733800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002016300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004023200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298234300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000648500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005140600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007762100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003951200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000349300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006664300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001917700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003365600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001321100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005553200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001874800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002745200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005882000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004745800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003605700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002187500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001301400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109929400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003419300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000147900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001954200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001152400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002238000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003442800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002150800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001004000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018954700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422124400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005154000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002965600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002858800000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003173600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004689300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003914000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001986000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003954500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005259800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000807800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006894000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001849100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001980100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002389400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002153000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001525000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000755600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006342700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001642800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001104600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001256900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002908000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001709900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001792100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000672600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004283900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009132900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003529100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000878100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002184600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0092457400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000436000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002785300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001002800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000712100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000718100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015491900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422844600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002195900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002020000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001362300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000090900000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002500000000, 0.0000001700000000, 0.0000219600000000 ] - [ 0.0000009300000000, -0.0000003400000000, 0.0001741100000000 ] - [ -0.0000000700000000, 0.0000001500000000, 0.0000946800000000 ] - [ -0.0000295500000000, 0.0000000600000000, -0.0000952000000000 ] - [ 0.0000008000000000, -0.0000004100000000, -0.0001069900000000 ] - [ -0.0000015200000000, 0.0000006500000000, -0.0005159100000000 ] - [ -0.0000744000000000, 0.0000013200000000, -0.0001122800000000 ] - [ 0.0000012900000000, -0.0000002900000000, 0.0000907300000000 ] - [ -0.0000003000000000, -0.0000003300000000, 0.0002303200000000 ] - [ 0.0000000300000000, 0.0000001600000000, -0.0002168500000000 ] - [ -0.0000004000000000, 0.0000001800000000, -0.0009850700000000 ] - [ 0.0000005100000000, 0.0000002000000000, -0.0004807400000000 ] - [ 0.0109699300000000, 0.0002038600000000, 0.0001419000000000 ] - [ -0.0000002800000000, -0.0000003400000000, -0.0005352700000000 ] - [ 0.0000010200000000, -0.0000003000000000, -0.0000807400000000 ] - [ 0.0000002600000000, -0.0000004200000000, 0.0000968000000000 ] - [ 0.0000007600000000, -0.0000003300000000, -0.0003710800000000 ] - [ 0.0000007400000000, 0.0000000700000000, -0.0003387500000000 ] - [ 0.0000001000000000, 0.0000001000000000, -0.0004843500000000 ] - [ 0.0009019500000000, -0.0000086900000000, -0.0000286300000000 ] - [ -0.0000007500000000, 0.0000001400000000, 0.0004053300000000 ] - [ 0.0000001100000000, 0.0000003400000000, 0.0000375900000000 ] - [ -0.0000002100000000, 0.0000002300000000, 0.0000732800000000 ] - [ -0.0000007500000000, 0.0000002500000000, 0.0004408300000000 ] - [ -0.0000007200000000, 0.0000003100000000, 0.0003175400000000 ] - [ 0.0000906500000000, -0.0000001200000000, 0.0003270200000000 ] - [ 0.0000011600000000, 0.0000001600000000, 0.0002129500000000 ] - [ 0.0000007000000000, 0.0000001100000000, 0.0000718500000000 ] - [ 0.0000007000000000, 0.0000001100000000, -0.0002781600000000 ] - [ 0.0000022200000000, 0.0000001200000000, -0.0007672900000000 ] - [ 0.0000020100000000, 0.0000001400000000, -0.0002060500000000 ] - [ 0.0000011100000000, 0.0000002100000000, -0.0000937500000000 ] - [ 0.0000000600000000, 0.0000002800000000, 0.0002367300000000 ] - [ 0.0000002700000000, 0.0000003500000000, 0.0006152700000000 ] - [ -0.0000006500000000, 0.0000002900000000, -0.0000723400000000 ] - [ -0.0000019000000000, 0.0000001200000000, 0.0007831500000000 ] - [ -0.0000008100000000, 0.0000003200000000, 0.0001939800000000 ] - [ 0.0000008800000000, 0.0000001800000000, -0.0001329100000000 ] - [ 0.0000909200000000, 0.0000006200000000, 0.0000462000000000 ] - [ 0.0000015200000000, 0.0000001300000000, -0.0002626700000000 ] - [ 0.0008232400000000, -0.0000518800000000, 0.0001007100000000 ] - [ -0.0000011400000000, 0.0000003500000000, 0.0001934000000000 ] - [ 0.0000000900000000, 0.0000001800000000, 0.0000723000000000 ] - [ 0.0000004100000000, 0.0000001100000000, -0.0000480500000000 ] - [ 0.0000003400000000, -0.0000001000000000, 0.0001969800000000 ] - [ -0.0000008200000000, 0.0000000600000000, 0.0002124500000000 ] - [ -0.0127777100000000, -0.0001493700000000, 0.0001187900000000 ] - [ 0.0000001400000000, 0.0000003100000000, 0.0004000100000000 ] - [ -0.0000003000000000, 0.0000000300000000, 0.0000167900000000 ] - [ -0.0000003800000000, 0.0000002600000000, 0.0001497800000000 ] - [ -0.0000024400000000, 0.0000002800000000, 0.0001396100000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002688900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001188000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004065700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000606800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005068700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012755600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007714500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302762300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008275400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003720600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001960900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001898700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003355200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001816900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005879100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005078400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003575200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002196500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001297400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000522400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003851400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007588000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000714400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009279700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000129100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001186200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102936500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003382800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000992800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003438800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421698900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001654900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002880700000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003137100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004671700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002158800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002238700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001366400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005226300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006933300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302465700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002113800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004868200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002605900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001067400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000724100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002937700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001737700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001429900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000684600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000760200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004260300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009121800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002394800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004706600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002156600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006393500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000468300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002777400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001379100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000464800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001954400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000519900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000665200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425289400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002533000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001292200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000069900000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000014400000000, 0.0000001900000000, 0.0000228500000000 ] - [ -0.0002733700000000, -0.0000005400000000, 0.0001704300000000 ] - [ -0.0000004100000000, 0.0000000500000000, 0.0000954900000000 ] - [ 0.0000009300000000, -0.0000002800000000, -0.0000958400000000 ] - [ 0.0000007200000000, -0.0000004900000000, -0.0001062800000000 ] - [ 0.0000210300000000, 0.0000004400000000, -0.0005181500000000 ] - [ 0.0000005800000000, -0.0000002900000000, -0.0001085400000000 ] - [ 0.0000005000000000, -0.0000003900000000, 0.0000885900000000 ] - [ 0.0000002400000000, -0.0000004700000000, 0.0002312800000000 ] - [ -0.0000013500000000, 0.0000000300000000, -0.0002159400000000 ] - [ -0.0000003800000000, 0.0000000700000000, -0.0009840400000000 ] - [ 0.0000007600000000, 0.0000001100000000, -0.0004798500000000 ] - [ -0.0000000400000000, -0.0000000400000000, -0.0000980100000000 ] - [ 0.0000002000000000, -0.0000004800000000, -0.0005345200000000 ] - [ 0.0000005800000000, -0.0000003900000000, -0.0000799100000000 ] - [ 0.0109435600000000, -0.0002038900000000, 0.0003369700000000 ] - [ 0.0000011200000000, -0.0000004100000000, -0.0003703800000000 ] - [ -0.0000007700000000, -0.0000000300000000, -0.0003384600000000 ] - [ -0.0000003400000000, 0.0000000100000000, -0.0004841600000000 ] - [ 0.0000001000000000, -0.0000000300000000, -0.0000150500000000 ] - [ -0.0000015000000000, 0.0000000400000000, 0.0004029800000000 ] - [ 0.0000004900000000, 0.0000002400000000, 0.0000373200000000 ] - [ 0.0000006200000000, 0.0000001300000000, 0.0000707500000000 ] - [ 0.0000001500000000, 0.0000001400000000, 0.0004417600000000 ] - [ 0.0000001500000000, 0.0000001800000000, 0.0003169000000000 ] - [ 0.0000008000000000, 0.0000004000000000, 0.0003269900000000 ] - [ -0.0000005200000000, 0.0000000900000000, 0.0002124500000000 ] - [ 0.0000001500000000, 0.0000000200000000, 0.0000738000000000 ] - [ -0.0000007800000000, 0.0000000300000000, -0.0002775100000000 ] - [ 0.0000001600000000, 0.0000000100000000, -0.0007673300000000 ] - [ -0.0000027700000000, -0.0000000400000000, -0.0002056400000000 ] - [ -0.0000005800000000, 0.0000001100000000, -0.0000946500000000 ] - [ 0.0000000600000000, 0.0000001700000000, 0.0002369200000000 ] - [ 0.0000004900000000, 0.0000002300000000, 0.0006152200000000 ] - [ -0.0000004600000000, 0.0000001900000000, -0.0000735100000000 ] - [ 0.0000015400000000, 0.0000001600000000, 0.0007841200000000 ] - [ 0.0000002800000000, 0.0000002400000000, 0.0001954100000000 ] - [ -0.0000009700000000, 0.0000000700000000, -0.0001342200000000 ] - [ 0.0000008800000000, 0.0000002900000000, 0.0000468800000000 ] - [ -0.0000005800000000, 0.0000000400000000, -0.0002628300000000 ] - [ -0.0000004400000000, 0.0000001300000000, 0.0000781800000000 ] - [ -0.0000390000000000, 0.0000007300000000, 0.0001913900000000 ] - [ -0.0000001800000000, 0.0000000800000000, 0.0000742300000000 ] - [ -0.0000002400000000, 0.0000000100000000, -0.0000468100000000 ] - [ 0.0009154100000000, 0.0000509600000000, 0.0002198200000000 ] - [ -0.0000696600000000, 0.0000007800000000, 0.0002107500000000 ] - [ 0.0000003200000000, -0.0000000100000000, 0.0003666600000000 ] - [ -0.0126940600000000, 0.0001452400000000, 0.0001486000000000 ] - [ 0.0011980700000000, 0.0000058400000000, 0.0000048700000000 ] - [ -0.0000002000000000, 0.0000001500000000, 0.0001502800000000 ] - [ 0.0000001500000000, 0.0000001600000000, 0.0001397300000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002734200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003912400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008226400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002047100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012798800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007756800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003943900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008308800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304932200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006657300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001919200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003375500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005542900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001874200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002245000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005889900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004666700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004759100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001312900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006185100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000535500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003845400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007639300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000757600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009235300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002239000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000997100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104144400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017808400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002969700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002869400000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003178900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002441200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003912200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001887100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002108200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003851700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005260400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000803800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006893400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001975000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002387700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002143200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300689200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000759000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004884200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002587800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001101200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000749500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002895100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001708200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001783700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000678400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000788800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004277700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003614300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002388900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004684900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002182600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006422200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000428000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002780700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004085200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000716200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000773900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001988100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098392600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000165300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002193500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425818000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017989000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000106800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000005900000000, -0.0000000400000000, 0.0000214800000000 ] - [ 0.0109236500000000, 0.0002025800000000, -0.0000668800000000 ] - [ 0.0000000200000000, -0.0000000700000000, 0.0000941900000000 ] - [ 0.0000079000000000, 0.0000000200000000, -0.0000958800000000 ] - [ 0.0000009400000000, -0.0000006300000000, -0.0001075000000000 ] - [ 0.0000000800000000, 0.0000004200000000, -0.0005164500000000 ] - [ 0.0000012500000000, -0.0000005100000000, -0.0001097500000000 ] - [ 0.0000014200000000, -0.0000006900000000, 0.0000907900000000 ] - [ 0.0000014800000000, -0.0000005400000000, 0.0002298100000000 ] - [ 0.0000004500000000, -0.0000000600000000, -0.0002173500000000 ] - [ 0.0000002400000000, -0.0000000400000000, -0.0009855700000000 ] - [ 0.0000008200000000, -0.0000000300000000, -0.0004812400000000 ] - [ -0.0000002400000000, -0.0000001300000000, -0.0000994300000000 ] - [ 0.0000009900000000, -0.0000005500000000, -0.0005357700000000 ] - [ 0.0000006800000000, -0.0000005200000000, -0.0000812300000000 ] - [ -0.0002740400000000, -0.0000005100000000, 0.0000992800000000 ] - [ 0.0000006600000000, -0.0000005500000000, -0.0003715900000000 ] - [ 0.0000008500000000, -0.0000001400000000, -0.0003386200000000 ] - [ 0.0000002700000000, -0.0000001200000000, -0.0004842300000000 ] - [ -0.0000007400000000, -0.0000001500000000, -0.0000152600000000 ] - [ 0.0000001800000000, -0.0000000800000000, 0.0004056500000000 ] - [ -0.0000006000000000, 0.0000001200000000, 0.0000379200000000 ] - [ -0.0000000800000000, 0.0000000100000000, 0.0000736000000000 ] - [ 0.0000008900000000, 0.0000000300000000, 0.0004409800000000 ] - [ -0.0000005700000000, 0.0000001000000000, 0.0003178800000000 ] - [ -0.0000072900000000, 0.0000003300000000, 0.0003266100000000 ] - [ 0.0000005600000000, -0.0000000600000000, 0.0002132900000000 ] - [ 0.0000015400000000, -0.0000001000000000, 0.0000720200000000 ] - [ 0.0000011700000000, -0.0000001000000000, -0.0002780100000000 ] - [ 0.0000010900000000, -0.0000001000000000, -0.0007669100000000 ] - [ -0.0000391300000000, -0.0000014500000000, -0.0002055800000000 ] - [ 0.0000008800000000, 0.0000000000000000, -0.0000934300000000 ] - [ 0.0000008800000000, 0.0000000600000000, 0.0002368600000000 ] - [ -0.0000001000000000, 0.0000001300000000, 0.0006156400000000 ] - [ -0.0000001900000000, 0.0000000700000000, -0.0000720200000000 ] - [ -0.0000009400000000, -0.0000001100000000, 0.0007832800000000 ] - [ -0.0000002300000000, 0.0000000900000000, 0.0001941400000000 ] - [ 0.0000009900000000, -0.0000000300000000, -0.0001326000000000 ] - [ 0.0000003800000000, 0.0000001700000000, 0.0000473600000000 ] - [ 0.0000009800000000, -0.0000000900000000, -0.0002623200000000 ] - [ 0.0000016800000000, 0.0000000100000000, 0.0000775300000000 ] - [ 0.0009073200000000, -0.0000512500000000, 0.0001701200000000 ] - [ -0.0000008100000000, -0.0000000300000000, 0.0000724600000000 ] - [ 0.0000012000000000, -0.0000001100000000, -0.0000478900000000 ] - [ -0.0000362600000000, -0.0000007700000000, 0.0001978100000000 ] - [ -0.0000031400000000, -0.0000001500000000, 0.0002127100000000 ] - [ -0.0000000300000000, -0.0000001300000000, 0.0003673000000000 ] - [ 0.0011983200000000, -0.0000058200000000, 0.0004128100000000 ] - [ -0.0126972000000000, -0.0001385600000000, 0.0002644300000000 ] - [ 0.0000009500000000, 0.0000000400000000, 0.0001499100000000 ] - [ 0.0000014500000000, 0.0000000500000000, 0.0001396500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303257700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004041100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004027200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008103500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004053800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002024400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000652500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005126500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007769300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003950000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008306700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000263200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006667700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003348500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001331900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005545100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005913000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004652600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004734700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002215600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001273400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006182200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000215900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003864800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007633200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000749400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003437300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000155600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001954800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001138400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002272500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102386700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002211500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003817900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005152000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022178500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421749600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003008100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002887800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003172900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302067300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003897100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003863000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005248400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000777600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001858200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001956000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002410800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002146900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001713200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004887000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006333000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002906100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001714300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001796700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000667900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004288600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003883500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000871900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004685100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002185800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002799200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001007900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004097400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000714000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100352200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000136000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000583100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002195200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425487600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000011300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000094500000000 ]- atom: 50 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001200000000, 0.0000001400000000, 0.0000226500000000 ] - [ 0.0000005800000000, -0.0000004700000000, 0.0001731900000000 ] - [ 0.0000001600000000, 0.0000000200000000, 0.0000952600000000 ] - [ 0.0000010100000000, -0.0000003200000000, -0.0000960600000000 ] - [ 0.0000003500000000, -0.0000005400000000, -0.0001064800000000 ] - [ -0.0000019700000000, 0.0000004900000000, -0.0005184300000000 ] - [ 0.0000015600000000, -0.0000003400000000, -0.0001087500000000 ] - [ 0.0000006500000000, -0.0000004400000000, 0.0000883900000000 ] - [ -0.0001871600000000, 0.0000015400000000, 0.0002320700000000 ] - [ 0.0107376100000000, -0.0002057100000000, -0.0004566000000000 ] - [ -0.0000001800000000, 0.0000000200000000, -0.0009842400000000 ] - [ -0.0000005700000000, 0.0000000600000000, -0.0004800600000000 ] - [ 0.0000000900000000, -0.0000000900000000, -0.0000982200000000 ] - [ 0.0000009700000000, -0.0000005300000000, -0.0005347300000000 ] - [ 0.0000012300000000, -0.0000006200000000, -0.0000795400000000 ] - [ 0.0000012500000000, -0.0000006100000000, 0.0000961200000000 ] - [ 0.0000234800000000, -0.0000005500000000, -0.0003707000000000 ] - [ -0.0000716800000000, -0.0000000500000000, -0.0003382100000000 ] - [ -0.0000010000000000, -0.0000000400000000, -0.0004840600000000 ] - [ -0.0000000700000000, -0.0000000900000000, -0.0000149500000000 ] - [ -0.0000003000000000, -0.0000000100000000, 0.0004031000000000 ] - [ 0.0008917100000000, -0.0000109500000000, 0.0000454200000000 ] - [ 0.0000003500000000, 0.0000000800000000, 0.0000708600000000 ] - [ 0.0000010200000000, 0.0000000900000000, 0.0004418700000000 ] - [ 0.0000009400000000, 0.0000002900000000, 0.0003164700000000 ] - [ 0.0000004200000000, 0.0000003600000000, 0.0003271400000000 ] - [ 0.0008217600000000, 0.0000523300000000, 0.0001893500000000 ] - [ 0.0000001100000000, -0.0000000300000000, 0.0000739000000000 ] - [ -0.0000719500000000, 0.0000007800000000, -0.0002777300000000 ] - [ 0.0000005300000000, -0.0000000300000000, -0.0007672000000000 ] - [ 0.0000009900000000, -0.0000001100000000, -0.0002056000000000 ] - [ 0.0000001200000000, 0.0000000600000000, -0.0000945300000000 ] - [ 0.0000010700000000, 0.0000001100000000, 0.0002370400000000 ] - [ -0.0000002700000000, 0.0000001800000000, 0.0006153500000000 ] - [ 0.0000001300000000, 0.0000001400000000, -0.0000733800000000 ] - [ -0.0000004700000000, -0.0000000300000000, 0.0007836800000000 ] - [ 0.0000013100000000, 0.0000001900000000, 0.0001955200000000 ] - [ 0.0000011600000000, 0.0000000200000000, -0.0001340900000000 ] - [ 0.0000004500000000, 0.0000002400000000, 0.0000470200000000 ] - [ -0.0000019800000000, -0.0000000500000000, -0.0002627100000000 ] - [ 0.0000007000000000, 0.0000000900000000, 0.0000782800000000 ] - [ -0.0000004900000000, 0.0000002300000000, 0.0001922300000000 ] - [ 0.0000011500000000, 0.0000000300000000, 0.0000743400000000 ] - [ -0.0000008500000000, -0.0000000400000000, -0.0000466900000000 ] - [ 0.0000010300000000, -0.0000002800000000, 0.0001964100000000 ] - [ -0.0000003700000000, -0.0000000700000000, 0.0002106500000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0003668000000000 ] - [ 0.0000000500000000, 0.0000002000000000, 0.0003993700000000 ] - [ 0.0000009300000000, -0.0000001200000000, 0.0000174000000000 ] - [ -0.0121567000000000, 0.0001643700000000, 0.0004032500000000 ] - [ 0.0000011300000000, 0.0000001100000000, 0.0001398300000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001237400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002016800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003938900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004042400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008139200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004063400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001740700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298834500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007786400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008327800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003750600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006787100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001364100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003350300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001352300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017780600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005907000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004602000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102360900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002196200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000536700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000547600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007629900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000766400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009303200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003425900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001151300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002284700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003414100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002210000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003617400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005135700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005489100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002896700000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003181900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003897600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002180100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001869400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003863500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002903100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001839800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001963500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002160100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000645500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006340300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001655700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002575800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016539600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000749900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001762400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001806200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099922700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004795800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003568600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000859000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004695900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002190500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006355300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000440900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002797500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000992600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004078100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000732000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001967900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000654400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002218900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002530500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001348000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425521500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000110400000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0107410400000000, -0.0002055900000000, -0.0002179000000000 ] - [ 0.0000007200000000, -0.0000004400000000, 0.0001731500000000 ] - [ -0.0000000900000000, 0.0000000200000000, 0.0000951900000000 ] - [ 0.0000018600000000, -0.0000003100000000, -0.0000978500000000 ] - [ 0.0000005100000000, -0.0000005300000000, -0.0001065400000000 ] - [ -0.0000010600000000, 0.0000005000000000, -0.0005185000000000 ] - [ -0.0001877800000000, 0.0000017500000000, -0.0001078200000000 ] - [ 0.0000010500000000, -0.0000004100000000, 0.0000883300000000 ] - [ 0.0000010900000000, -0.0000005000000000, 0.0002310200000000 ] - [ -0.0000006000000000, 0.0000000100000000, -0.0002162100000000 ] - [ -0.0000001400000000, 0.0000000400000000, -0.0009843100000000 ] - [ 0.0000003300000000, 0.0000000800000000, -0.0004801100000000 ] - [ 0.0000002700000000, -0.0000000500000000, -0.0000982800000000 ] - [ 0.0000014200000000, -0.0000005000000000, -0.0005347800000000 ] - [ 0.0000232400000000, -0.0000005100000000, -0.0000802700000000 ] - [ 0.0000015900000000, -0.0000005800000000, 0.0000960600000000 ] - [ 0.0000005200000000, -0.0000004400000000, -0.0003706600000000 ] - [ -0.0000008600000000, -0.0000000500000000, -0.0003384000000000 ] - [ -0.0000713100000000, 0.0000007600000000, -0.0004844000000000 ] - [ -0.0000718900000000, -0.0000000500000000, -0.0000148300000000 ] - [ -0.0000005900000000, 0.0000000200000000, 0.0004030200000000 ] - [ 0.0000002100000000, 0.0000002100000000, 0.0000373800000000 ] - [ 0.0000002700000000, 0.0000001100000000, 0.0000707800000000 ] - [ 0.0000008200000000, 0.0000001100000000, 0.0004418300000000 ] - [ -0.0000001900000000, 0.0000001500000000, 0.0003169600000000 ] - [ -0.0000001500000000, 0.0000003800000000, 0.0003270600000000 ] - [ 0.0000011200000000, 0.0000000600000000, 0.0002125000000000 ] - [ 0.0000010300000000, -0.0000000100000000, 0.0000738700000000 ] - [ 0.0000001600000000, 0.0000000100000000, -0.0002774600000000 ] - [ 0.0008220500000000, 0.0000523100000000, -0.0007905300000000 ] - [ -0.0000010400000000, -0.0000000900000000, -0.0002056600000000 ] - [ 0.0000008600000000, 0.0000000800000000, -0.0000946100000000 ] - [ 0.0000009800000000, 0.0000001300000000, 0.0002369900000000 ] - [ 0.0000009700000000, 0.0000003500000000, 0.0006147300000000 ] - [ -0.0000006800000000, 0.0000001700000000, -0.0000734700000000 ] - [ -0.0000007200000000, -0.0000000100000000, 0.0007836400000000 ] - [ 0.0000008200000000, 0.0000002000000000, 0.0001954700000000 ] - [ 0.0000005900000000, 0.0000000400000000, -0.0001341700000000 ] - [ 0.0008955900000000, -0.0000109000000000, 0.0000549100000000 ] - [ 0.0000002100000000, 0.0000000000000000, -0.0002627800000000 ] - [ 0.0000011200000000, 0.0000001000000000, 0.0000782400000000 ] - [ 0.0000001500000000, 0.0000002400000000, 0.0001921500000000 ] - [ 0.0000011300000000, 0.0000000500000000, 0.0000742900000000 ] - [ 0.0000007500000000, -0.0000000200000000, -0.0000467400000000 ] - [ -0.0000001300000000, -0.0000002600000000, 0.0001963700000000 ] - [ 0.0000000300000000, -0.0000000600000000, 0.0002105700000000 ] - [ -0.0000020700000000, -0.0000000700000000, 0.0003667200000000 ] - [ 0.0000004100000000, 0.0000002200000000, 0.0003993000000000 ] - [ 0.0000013600000000, -0.0000001000000000, 0.0000173500000000 ] - [ 0.0000013500000000, 0.0000001200000000, 0.0001503500000000 ] - [ -0.0121663600000000, 0.0001633100000000, 0.0003980700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0301184800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001248000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003945200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004036200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008133100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001642500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002065100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000668500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005143800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007776000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003947700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003880500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006687400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001903300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005535100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001844000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002222300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005908000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004647500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004696500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003604400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002224100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001283200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0092586500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000541100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003887400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007547400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000744500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009304200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003447600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000146100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017924100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003386000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003468000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003600500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005096500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419142800000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0303063300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004712300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003908000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001990100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001885200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002203000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003862700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000798700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006888200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001850500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001959600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003940700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004876100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006849300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002161000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001092600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000753000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001710600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000786400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0109784900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003542500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000859400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002184500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006363700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000427700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002790900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016541500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004088900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000452500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000776100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000489600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000647900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002512200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001326000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000001100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425663500000000 ]