# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b2edb28e-12ae-4a15-af30-cf23362bd5a3/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 Nb3ClO7 / Pnma (62) / materials id 29698](https://mdr.nims.go.jp/datasets/bf19519e-9eba-489e-b37f-17bfc239624d) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 15.712135460000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.975917610000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.874730140000000 ] # c points: - symbol: O # 1 coordinates: [ 0.566739880000000, 0.626434570000000, 0.006791890000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.475589010000000, 0.750000000000000, 0.517368400000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.975589010000000, 0.750000000000000, 0.982631600000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.524410990000000, 0.250000000000000, 0.482631600000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.885623190000000, 0.615905180000000, 0.493180110000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.614376810000000, 0.384094820000000, 0.993180110000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.114376810000000, 0.115905180000000, 0.506819890000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.385623190000000, 0.884094820000000, 0.006819890000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.114376810000000, 0.384094820000000, 0.506819890000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.385623190000000, 0.615905180000000, 0.006819890000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.885623190000000, 0.884094820000000, 0.493180110000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.614376810000000, 0.115905180000000, 0.993180110000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.200853050000000, 0.969440650000000, 0.002549490000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.299146950000000, 0.030559350000000, 0.502549490000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.799146950000000, 0.469440650000000, 0.997450510000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.066739880000000, 0.626434570000000, 0.493208110000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.799146950000000, 0.030559350000000, 0.997450510000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.700853050000000, 0.969440650000000, 0.497450510000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.200853050000000, 0.530559350000000, 0.002549490000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.299146950000000, 0.469440650000000, 0.502549490000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.433260120000000, 0.126434570000000, 0.993208110000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.066739880000000, 0.873565430000000, 0.493208110000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.700853050000000, 0.530559350000000, 0.497450510000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.933260120000000, 0.373565430000000, 0.506791890000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.566739880000000, 0.873565430000000, 0.006791890000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.933260120000000, 0.126434570000000, 0.506791890000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.433260120000000, 0.373565430000000, 0.993208110000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.024410990000000, 0.250000000000000, 0.017368400000000 ] mass: 15.999400 - symbol: Cl # 29 coordinates: [ 0.259410870000000, 0.250000000000000, 0.007913260000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.240589130000000, 0.750000000000000, 0.507913260000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.740589130000000, 0.750000000000000, 0.992086740000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.759410870000000, 0.250000000000000, 0.492086740000000 ] mass: 35.453000 - symbol: Nb # 33 coordinates: [ 0.165078040000000, 0.537733150000000, 0.501388750000000 ] mass: 92.906380 - symbol: Nb # 34 coordinates: [ 0.468890290000000, 0.750000000000000, 0.046652290000000 ] mass: 92.906380 - symbol: Nb # 35 coordinates: [ 0.968890290000000, 0.750000000000000, 0.453347710000000 ] mass: 92.906380 - symbol: Nb # 36 coordinates: [ 0.531109710000000, 0.250000000000000, 0.953347710000000 ] mass: 92.906380 - symbol: Nb # 37 coordinates: [ 0.031109710000000, 0.250000000000000, 0.546652290000000 ] mass: 92.906380 - symbol: Nb # 38 coordinates: [ 0.334921960000000, 0.462266850000000, 0.001388750000000 ] mass: 92.906380 - symbol: Nb # 39 coordinates: [ 0.834921960000000, 0.037733150000000, 0.498611250000000 ] mass: 92.906380 - symbol: Nb # 40 coordinates: [ 0.665078040000000, 0.962266850000000, 0.998611250000000 ] mass: 92.906380 - symbol: Nb # 41 coordinates: [ 0.834921960000000, 0.462266850000000, 0.498611250000000 ] mass: 92.906380 - symbol: Nb # 42 coordinates: [ 0.665078040000000, 0.537733150000000, 0.998611250000000 ] mass: 92.906380 - symbol: Nb # 43 coordinates: [ 0.165078040000000, 0.962266850000000, 0.501388750000000 ] mass: 92.906380 - symbol: Nb # 44 coordinates: [ 0.334921960000000, 0.037733150000000, 0.001388750000000 ] mass: 92.906380 reciprocal_lattice: # without 2pi - [ 0.063645072469354, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.091108555615333, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.258082489326599 ] # c*unit_cell: lattice: - [ 15.712135460000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.975917610000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.874730140000000 ] # c points: - symbol: O # 1 coordinates: [ 0.566739880000000, 0.626434570000000, 0.006791890000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.475589010000000, 0.750000000000000, 0.517368400000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.975589010000000, 0.750000000000000, 0.982631600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.524410990000000, 0.250000000000000, 0.482631600000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.885623190000000, 0.615905180000000, 0.493180110000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.614376810000000, 0.384094820000000, 0.993180110000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.114376810000000, 0.115905180000000, 0.506819890000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.385623190000000, 0.884094820000000, 0.006819890000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.114376810000000, 0.384094820000000, 0.506819890000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.385623190000000, 0.615905180000000, 0.006819890000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.885623190000000, 0.884094820000000, 0.493180110000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.614376810000000, 0.115905180000000, 0.993180110000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.200853050000000, 0.969440650000000, 0.002549490000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.299146950000000, 0.030559350000000, 0.502549490000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.799146950000000, 0.469440650000000, 0.997450510000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.066739880000000, 0.626434570000000, 0.493208110000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.799146950000000, 0.030559350000000, 0.997450510000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.700853050000000, 0.969440650000000, 0.497450510000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.200853050000000, 0.530559350000000, 0.002549490000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.299146950000000, 0.469440650000000, 0.502549490000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.433260120000000, 0.126434570000000, 0.993208110000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.066739880000000, 0.873565430000000, 0.493208110000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.700853050000000, 0.530559350000000, 0.497450510000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.933260120000000, 0.373565430000000, 0.506791890000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.566739880000000, 0.873565430000000, 0.006791890000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.933260120000000, 0.126434570000000, 0.506791890000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.433260120000000, 0.373565430000000, 0.993208110000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.024410990000000, 0.250000000000000, 0.017368400000000 ] mass: 15.999400 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.259410870000000, 0.250000000000000, 0.007913260000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.240589130000000, 0.750000000000000, 0.507913260000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.740589130000000, 0.750000000000000, 0.992086740000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.759410870000000, 0.250000000000000, 0.492086740000000 ] mass: 35.453000 reduced_to: 32 - symbol: Nb # 33 coordinates: [ 0.165078040000000, 0.537733150000000, 0.501388750000000 ] mass: 92.906380 reduced_to: 33 - symbol: Nb # 34 coordinates: [ 0.468890290000000, 0.750000000000000, 0.046652290000000 ] mass: 92.906380 reduced_to: 34 - symbol: Nb # 35 coordinates: [ 0.968890290000000, 0.750000000000000, 0.453347710000000 ] mass: 92.906380 reduced_to: 35 - symbol: Nb # 36 coordinates: [ 0.531109710000000, 0.250000000000000, 0.953347710000000 ] mass: 92.906380 reduced_to: 36 - symbol: Nb # 37 coordinates: [ 0.031109710000000, 0.250000000000000, 0.546652290000000 ] mass: 92.906380 reduced_to: 37 - symbol: Nb # 38 coordinates: [ 0.334921960000000, 0.462266850000000, 0.001388750000000 ] mass: 92.906380 reduced_to: 38 - symbol: Nb # 39 coordinates: [ 0.834921960000000, 0.037733150000000, 0.498611250000000 ] mass: 92.906380 reduced_to: 39 - symbol: Nb # 40 coordinates: [ 0.665078040000000, 0.962266850000000, 0.998611250000000 ] mass: 92.906380 reduced_to: 40 - symbol: Nb # 41 coordinates: [ 0.834921960000000, 0.462266850000000, 0.498611250000000 ] mass: 92.906380 reduced_to: 41 - symbol: Nb # 42 coordinates: [ 0.665078040000000, 0.537733150000000, 0.998611250000000 ] mass: 92.906380 reduced_to: 42 - symbol: Nb # 43 coordinates: [ 0.165078040000000, 0.962266850000000, 0.501388750000000 ] mass: 92.906380 reduced_to: 43 - symbol: Nb # 44 coordinates: [ 0.334921960000000, 0.037733150000000, 0.001388750000000 ] mass: 92.906380 reduced_to: 44supercell: lattice: - [ 15.712135460000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.975917610000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.624190420000000 ] # c points: - symbol: O # 1 coordinates: [ 0.566739880000000, 0.626434570000000, 0.002263963333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.566739880000000, 0.626434570000000, 0.335597296666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.566739880000000, 0.626434570000000, 0.668930630000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.475589010000000, 0.750000000000000, 0.172456133333333 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.475589010000000, 0.750000000000000, 0.505789466666667 ] mass: 15.999400 reduced_to: 4 - symbol: O # 6 coordinates: [ 0.475589010000000, 0.750000000000000, 0.839122800000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 7 coordinates: [ 0.975589010000000, 0.750000000000000, 0.327543866666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.975589010000000, 0.750000000000000, 0.660877200000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.975589010000000, 0.750000000000000, 0.994210533333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.524410990000000, 0.250000000000000, 0.160877200000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.524410990000000, 0.250000000000000, 0.494210533333333 ] mass: 15.999400 reduced_to: 10 - symbol: O # 12 coordinates: [ 0.524410990000000, 0.250000000000000, 0.827543866666667 ] mass: 15.999400 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.885623190000000, 0.615905180000000, 0.164393370000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.885623190000000, 0.615905180000000, 0.497726703333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.885623190000000, 0.615905180000000, 0.831060036666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.614376810000000, 0.384094820000000, 0.331060036666667 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.614376810000000, 0.384094820000000, 0.664393370000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 18 coordinates: [ 0.614376810000000, 0.384094820000000, 0.997726703333333 ] mass: 15.999400 reduced_to: 16 - symbol: O # 19 coordinates: [ 0.114376810000000, 0.115905180000000, 0.168939963333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.114376810000000, 0.115905180000000, 0.502273296666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.114376810000000, 0.115905180000000, 0.835606630000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.385623190000000, 0.884094820000000, 0.002273296666667 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.385623190000000, 0.884094820000000, 0.335606630000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 24 coordinates: [ 0.385623190000000, 0.884094820000000, 0.668939963333333 ] mass: 15.999400 reduced_to: 22 - symbol: O # 25 coordinates: [ 0.114376810000000, 0.384094820000000, 0.168939963333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.114376810000000, 0.384094820000000, 0.502273296666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.114376810000000, 0.384094820000000, 0.835606630000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.385623190000000, 0.615905180000000, 0.002273296666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.385623190000000, 0.615905180000000, 0.335606630000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 30 coordinates: [ 0.385623190000000, 0.615905180000000, 0.668939963333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 31 coordinates: [ 0.885623190000000, 0.884094820000000, 0.164393370000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.885623190000000, 0.884094820000000, 0.497726703333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.885623190000000, 0.884094820000000, 0.831060036666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.614376810000000, 0.115905180000000, 0.331060036666667 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.614376810000000, 0.115905180000000, 0.664393370000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 36 coordinates: [ 0.614376810000000, 0.115905180000000, 0.997726703333333 ] mass: 15.999400 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.200853050000000, 0.969440650000000, 0.000849830000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.200853050000000, 0.969440650000000, 0.334183163333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.200853050000000, 0.969440650000000, 0.667516496666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.299146950000000, 0.030559350000000, 0.167516496666667 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.299146950000000, 0.030559350000000, 0.500849830000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.299146950000000, 0.030559350000000, 0.834183163333333 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.799146950000000, 0.469440650000000, 0.332483503333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.799146950000000, 0.469440650000000, 0.665816836666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.799146950000000, 0.469440650000000, 0.999150170000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.066739880000000, 0.626434570000000, 0.164402703333333 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.066739880000000, 0.626434570000000, 0.497736036666667 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.066739880000000, 0.626434570000000, 0.831069370000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.799146950000000, 0.030559350000000, 0.332483503333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.799146950000000, 0.030559350000000, 0.665816836666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.799146950000000, 0.030559350000000, 0.999150170000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.700853050000000, 0.969440650000000, 0.165816836666667 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.700853050000000, 0.969440650000000, 0.499150170000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.700853050000000, 0.969440650000000, 0.832483503333333 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.200853050000000, 0.530559350000000, 0.000849830000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.200853050000000, 0.530559350000000, 0.334183163333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.200853050000000, 0.530559350000000, 0.667516496666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.299146950000000, 0.469440650000000, 0.167516496666667 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.299146950000000, 0.469440650000000, 0.500849830000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.299146950000000, 0.469440650000000, 0.834183163333333 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.433260120000000, 0.126434570000000, 0.331069370000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.433260120000000, 0.126434570000000, 0.664402703333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.433260120000000, 0.126434570000000, 0.997736036666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.066739880000000, 0.873565430000000, 0.164402703333333 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.066739880000000, 0.873565430000000, 0.497736036666667 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.066739880000000, 0.873565430000000, 0.831069370000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.700853050000000, 0.530559350000000, 0.165816836666667 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.700853050000000, 0.530559350000000, 0.499150170000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.700853050000000, 0.530559350000000, 0.832483503333333 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.933260120000000, 0.373565430000000, 0.168930630000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.933260120000000, 0.373565430000000, 0.502263963333333 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.933260120000000, 0.373565430000000, 0.835597296666667 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.566739880000000, 0.873565430000000, 0.002263963333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.566739880000000, 0.873565430000000, 0.335597296666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.566739880000000, 0.873565430000000, 0.668930630000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.933260120000000, 0.126434570000000, 0.168930630000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.933260120000000, 0.126434570000000, 0.502263963333333 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.933260120000000, 0.126434570000000, 0.835597296666667 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.433260120000000, 0.373565430000000, 0.331069370000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.433260120000000, 0.373565430000000, 0.664402703333333 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.433260120000000, 0.373565430000000, 0.997736036666667 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.024410990000000, 0.250000000000000, 0.005789466666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.024410990000000, 0.250000000000000, 0.339122800000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.024410990000000, 0.250000000000000, 0.672456133333333 ] mass: 15.999400 reduced_to: 82 - symbol: Cl # 85 coordinates: [ 0.259410870000000, 0.250000000000000, 0.002637753333333 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.259410870000000, 0.250000000000000, 0.335971086666667 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 87 coordinates: [ 0.259410870000000, 0.250000000000000, 0.669304420000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 88 coordinates: [ 0.240589130000000, 0.750000000000000, 0.169304420000000 ] mass: 35.453000 reduced_to: 88 - symbol: Cl # 89 coordinates: [ 0.240589130000000, 0.750000000000000, 0.502637753333333 ] mass: 35.453000 reduced_to: 88 - symbol: Cl # 90 coordinates: [ 0.240589130000000, 0.750000000000000, 0.835971086666667 ] mass: 35.453000 reduced_to: 88 - symbol: Cl # 91 coordinates: [ 0.740589130000000, 0.750000000000000, 0.330695580000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 92 coordinates: [ 0.740589130000000, 0.750000000000000, 0.664028913333333 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 93 coordinates: [ 0.740589130000000, 0.750000000000000, 0.997362246666667 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 94 coordinates: [ 0.759410870000000, 0.250000000000000, 0.164028913333333 ] mass: 35.453000 reduced_to: 94 - symbol: Cl # 95 coordinates: [ 0.759410870000000, 0.250000000000000, 0.497362246666667 ] mass: 35.453000 reduced_to: 94 - symbol: Cl # 96 coordinates: [ 0.759410870000000, 0.250000000000000, 0.830695580000000 ] mass: 35.453000 reduced_to: 94 - symbol: Nb # 97 coordinates: [ 0.165078040000000, 0.537733150000000, 0.167129583333333 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 98 coordinates: [ 0.165078040000000, 0.537733150000000, 0.500462916666667 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 99 coordinates: [ 0.165078040000000, 0.537733150000000, 0.833796250000000 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 100 coordinates: [ 0.468890290000000, 0.750000000000000, 0.015550763333333 ] mass: 92.906380 reduced_to: 100 - symbol: Nb # 101 coordinates: [ 0.468890290000000, 0.750000000000000, 0.348884096666667 ] mass: 92.906380 reduced_to: 100 - symbol: Nb # 102 coordinates: [ 0.468890290000000, 0.750000000000000, 0.682217430000000 ] mass: 92.906380 reduced_to: 100 - symbol: Nb # 103 coordinates: [ 0.968890290000000, 0.750000000000000, 0.151115903333333 ] mass: 92.906380 reduced_to: 103 - symbol: Nb # 104 coordinates: [ 0.968890290000000, 0.750000000000000, 0.484449236666667 ] mass: 92.906380 reduced_to: 103 - symbol: Nb # 105 coordinates: [ 0.968890290000000, 0.750000000000000, 0.817782570000000 ] mass: 92.906380 reduced_to: 103 - symbol: Nb # 106 coordinates: [ 0.531109710000000, 0.250000000000000, 0.317782570000000 ] mass: 92.906380 reduced_to: 106 - symbol: Nb # 107 coordinates: [ 0.531109710000000, 0.250000000000000, 0.651115903333333 ] mass: 92.906380 reduced_to: 106 - symbol: Nb # 108 coordinates: [ 0.531109710000000, 0.250000000000000, 0.984449236666667 ] mass: 92.906380 reduced_to: 106 - symbol: Nb # 109 coordinates: [ 0.031109710000000, 0.250000000000000, 0.182217430000000 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 110 coordinates: [ 0.031109710000000, 0.250000000000000, 0.515550763333333 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 111 coordinates: [ 0.031109710000000, 0.250000000000000, 0.848884096666667 ] mass: 92.906380 reduced_to: 109 - symbol: Nb # 112 coordinates: [ 0.334921960000000, 0.462266850000000, 0.000462916666667 ] mass: 92.906380 reduced_to: 112 - symbol: Nb # 113 coordinates: [ 0.334921960000000, 0.462266850000000, 0.333796250000000 ] mass: 92.906380 reduced_to: 112 - symbol: Nb # 114 coordinates: [ 0.334921960000000, 0.462266850000000, 0.667129583333333 ] mass: 92.906380 reduced_to: 112 - symbol: Nb # 115 coordinates: [ 0.834921960000000, 0.037733150000000, 0.166203750000000 ] mass: 92.906380 reduced_to: 115 - symbol: Nb # 116 coordinates: [ 0.834921960000000, 0.037733150000000, 0.499537083333333 ] mass: 92.906380 reduced_to: 115 - symbol: Nb # 117 coordinates: [ 0.834921960000000, 0.037733150000000, 0.832870416666667 ] mass: 92.906380 reduced_to: 115 - symbol: Nb # 118 coordinates: [ 0.665078040000000, 0.962266850000000, 0.332870416666667 ] mass: 92.906380 reduced_to: 118 - symbol: Nb # 119 coordinates: [ 0.665078040000000, 0.962266850000000, 0.666203750000000 ] mass: 92.906380 reduced_to: 118 - symbol: Nb # 120 coordinates: [ 0.665078040000000, 0.962266850000000, 0.999537083333333 ] mass: 92.906380 reduced_to: 118 - symbol: Nb # 121 coordinates: [ 0.834921960000000, 0.462266850000000, 0.166203750000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 122 coordinates: [ 0.834921960000000, 0.462266850000000, 0.499537083333333 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 123 coordinates: [ 0.834921960000000, 0.462266850000000, 0.832870416666667 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 124 coordinates: [ 0.665078040000000, 0.537733150000000, 0.332870416666667 ] mass: 92.906380 reduced_to: 124 - symbol: Nb # 125 coordinates: [ 0.665078040000000, 0.537733150000000, 0.666203750000000 ] mass: 92.906380 reduced_to: 124 - symbol: Nb # 126 coordinates: [ 0.665078040000000, 0.537733150000000, 0.999537083333333 ] mass: 92.906380 reduced_to: 124 - symbol: Nb # 127 coordinates: [ 0.165078040000000, 0.962266850000000, 0.167129583333333 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 128 coordinates: [ 0.165078040000000, 0.962266850000000, 0.500462916666667 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 129 coordinates: [ 0.165078040000000, 0.962266850000000, 0.833796250000000 ] mass: 92.906380 reduced_to: 127 - symbol: Nb # 130 coordinates: [ 0.334921960000000, 0.037733150000000, 0.000462916666667 ] mass: 92.906380 reduced_to: 130 - symbol: Nb # 131 coordinates: [ 0.334921960000000, 0.037733150000000, 0.333796250000000 ] mass: 92.906380 reduced_to: 130 - symbol: Nb # 132 coordinates: [ 0.334921960000000, 0.037733150000000, 0.667129583333333 ] mass: 92.906380 reduced_to: 130displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2580680300000000, 0.1489555400000000, 0.0088575900000000 ] - [ -0.0085823400000000, 0.0059990600000000, -0.0012617600000000 ] - [ -0.0085935200000000, 0.0060273100000000, 0.0005014300000000 ] - [ -0.0109790900000000, -0.0076120500000000, -0.0266803900000000 ] - [ -0.0163904800000000, -0.0002992900000000, -0.0006968000000000 ] - [ -0.0104272000000000, -0.0076541900000000, 0.0243797200000000 ] - [ -0.0146517800000000, 0.0002384100000000, 0.0003656600000000 ] - [ -0.0146122800000000, 0.0002740100000000, -0.0009873400000000 ] - [ -0.0141793300000000, 0.0003361800000000, -0.0001251700000000 ] - [ 0.0135061100000000, -0.0008518200000000, 0.0015794400000000 ] - [ 0.0143753000000000, -0.0003505000000000, -0.0004977800000000 ] - [ 0.0133496000000000, -0.0009341600000000, -0.0026164900000000 ] - [ 0.0032002200000000, 0.0035955300000000, 0.0009594400000000 ] - [ 0.0009102800000000, 0.0013515600000000, -0.0000185900000000 ] - [ 0.0032708900000000, 0.0037413600000000, -0.0011796500000000 ] - [ -0.0025066200000000, -0.0028114800000000, 0.0006683300000000 ] - [ -0.0024694600000000, -0.0028648000000000, -0.0008752600000000 ] - [ -0.0263071100000000, -0.0407091400000000, -0.0016841100000000 ] - [ 0.0026958600000000, -0.0026080600000000, -0.0003888900000000 ] - [ 0.0019463800000000, -0.0017942300000000, -0.0001768200000000 ] - [ 0.0027190700000000, -0.0026248900000000, -0.0001811800000000 ] - [ 0.0228770500000000, -0.0321822300000000, 0.0051489600000000 ] - [ 0.0009868000000000, -0.0022591100000000, -0.0017540300000000 ] - [ 0.0012310800000000, -0.0026212100000000, 0.0005623000000000 ] - [ 0.0028385300000000, 0.0024014900000000, -0.0003714800000000 ] - [ 0.0019128000000000, 0.0016176400000000, -0.0001656700000000 ] - [ 0.0028485900000000, 0.0023895400000000, -0.0000591200000000 ] - [ 0.0287869900000000, 0.0196528500000000, 0.0011814200000000 ] - [ 0.0002733800000000, 0.0014164100000000, -0.0011947400000000 ] - [ 0.0004753000000000, 0.0017121600000000, 0.0005214300000000 ] - [ 0.0003001200000000, 0.0002070200000000, 0.0003977800000000 ] - [ -0.0000425500000000, 0.0000179000000000, 0.0000373100000000 ] - [ 0.0003497300000000, 0.0001051800000000, -0.0002924300000000 ] - [ -0.0002334700000000, -0.0003695500000000, 0.0001463000000000 ] - [ -0.0002228900000000, -0.0003594100000000, -0.0001038900000000 ] - [ 0.0014802000000000, -0.0057679800000000, 0.0002939600000000 ] - [ -0.0016431200000000, -0.0002668900000000, 0.0000612400000000 ] - [ -0.0028812700000000, -0.0004814300000000, -0.0004299000000000 ] - [ -0.0028915100000000, -0.0004741700000000, 0.0005277300000000 ] - [ 0.0056477800000000, 0.0004794300000000, -0.0028071400000000 ] - [ 0.0049053400000000, 0.0007100300000000, 0.0000671600000000 ] - [ 0.0055966200000000, 0.0005372700000000, 0.0030895300000000 ] - [ 0.0034860400000000, -0.0005780000000000, 0.0037052400000000 ] - [ 0.0035140700000000, -0.0005777000000000, -0.0038685900000000 ] - [ 0.0298473500000000, -0.0074359400000000, -0.0002145600000000 ] - [ 0.0021567700000000, -0.0006109600000000, 0.0003532700000000 ] - [ 0.0008359300000000, -0.0000433400000000, 0.0002655000000000 ] - [ 0.0021150400000000, -0.0005923000000000, 0.0003445600000000 ] - [ 0.0030902400000000, 0.0001001900000000, 0.0005019100000000 ] - [ 0.0031308900000000, 0.0000930000000000, -0.0006937800000000 ] - [ 0.0024192700000000, 0.0003417600000000, -0.0000372500000000 ] - [ -0.0052007200000000, -0.0002335700000000, 0.0000555100000000 ] - [ -0.0045153800000000, -0.0003376200000000, -0.0001901900000000 ] - [ -0.0051092100000000, -0.0001548400000000, -0.0002198900000000 ] - [ -0.0007144000000000, 0.0001736300000000, 0.0000643000000000 ] - [ -0.0028916600000000, 0.0004757900000000, -0.0005318500000000 ] - [ -0.0029113000000000, 0.0004715400000000, 0.0006277700000000 ] - [ 0.0058297000000000, -0.0003440500000000, -0.0035138600000000 ] - [ 0.0048202400000000, -0.0007320400000000, 0.0000394600000000 ] - [ 0.0058029300000000, -0.0003976300000000, 0.0036819200000000 ] - [ -0.0014547100000000, -0.0008252400000000, 0.0002668400000000 ] - [ -0.0015851400000000, -0.0008840700000000, 0.0002489200000000 ] - [ -0.0073948800000000, -0.0054765600000000, 0.0010475600000000 ] - [ 0.0018536700000000, 0.0006515200000000, 0.0003883800000000 ] - [ 0.0008354600000000, 0.0001434200000000, 0.0002644000000000 ] - [ 0.0018368100000000, 0.0006356300000000, 0.0003504200000000 ] - [ 0.0007359800000000, -0.0005980300000000, 0.0264375600000000 ] - [ -0.0027954800000000, 0.0005317400000000, -0.0001069300000000 ] - [ 0.0001824200000000, -0.0002923300000000, -0.0259211800000000 ] - [ 0.0063811600000000, -0.0047580300000000, 0.0006330300000000 ] - [ 0.0030790400000000, -0.0022948500000000, -0.0001233500000000 ] - [ 0.0063828600000000, -0.0047452200000000, -0.0007221900000000 ] - [ -0.0196684100000000, -0.0172800800000000, 0.0010868800000000 ] - [ -0.0054023900000000, -0.0033429200000000, -0.0009440900000000 ] - [ -0.0054099200000000, -0.0033833800000000, 0.0002758300000000 ] - [ 0.0021870900000000, 0.0009713700000000, -0.0001302900000000 ] - [ 0.0018117500000000, 0.0011436700000000, -0.0001704300000000 ] - [ 0.0021875000000000, 0.0009671300000000, -0.0001651900000000 ] - [ -0.0012955000000000, 0.0005957000000000, 0.0001138400000000 ] - [ -0.0013862800000000, 0.0006154800000000, 0.0004031500000000 ] - [ -0.0096765300000000, 0.0053894300000000, 0.0007199600000000 ] - [ 0.0164877000000000, -0.0004104300000000, 0.0000617100000000 ] - [ 0.0161853800000000, -0.0002843700000000, 0.0004800400000000 ] - [ 0.0161794000000000, -0.0002802400000000, -0.0003321600000000 ] - [ 0.0004733000000000, -0.0005234500000000, 0.0000456800000000 ] - [ 0.0000465100000000, -0.0000363700000000, -0.0001735600000000 ] - [ 0.0000425900000000, -0.0000392300000000, 0.0001899800000000 ] - [ 0.0008765400000000, -0.0000519000000000, -0.0001229500000000 ] - [ 0.0003865000000000, 0.0000063200000000, 0.0000236800000000 ] - [ 0.0008745400000000, -0.0000606900000000, 0.0002237500000000 ] - [ -0.0005261900000000, 0.0015455300000000, 0.0004098800000000 ] - [ -0.0005373300000000, 0.0014892600000000, -0.0004436200000000 ] - [ 0.0119790600000000, 0.0134653100000000, -0.0002514600000000 ] - [ 0.0003763300000000, -0.0018926900000000, 0.0003277600000000 ] - [ 0.0001103000000000, -0.0006220900000000, -0.0000185300000000 ] - [ 0.0004518900000000, -0.0019017200000000, -0.0003918900000000 ] - [ -0.0023513000000000, -0.0002985300000000, 0.0016338700000000 ] - [ 0.0000155500000000, 0.0000633200000000, 0.0001930500000000 ] - [ -0.0023205000000000, -0.0002384200000000, -0.0013404500000000 ] - [ 0.0237282200000000, 0.0155355900000000, -0.0094140700000000 ] - [ 0.0219764900000000, -0.0009443300000000, 0.0160670400000000 ] - [ 0.0208815600000000, -0.0001941400000000, -0.0133911000000000 ] - [ 0.0106249500000000, -0.0024908700000000, -0.0010096000000000 ] - [ 0.0139770900000000, -0.0009365700000000, 0.0001006100000000 ] - [ 0.0107162800000000, -0.0025199500000000, 0.0009627100000000 ] - [ -0.0115967900000000, 0.0020596800000000, -0.0009311200000000 ] - [ -0.0116117700000000, 0.0021104000000000, 0.0016742700000000 ] - [ 0.0079104500000000, 0.0181721700000000, 0.0004619800000000 ] - [ -0.0239118700000000, 0.0021383000000000, -0.0001039400000000 ] - [ -0.0211249600000000, 0.0008316900000000, 0.0002339900000000 ] - [ -0.0240106800000000, 0.0021927100000000, 0.0006484300000000 ] - [ -0.0089407200000000, -0.0208924400000000, -0.0002416100000000 ] - [ -0.0028382300000000, -0.0023643300000000, 0.0026116500000000 ] - [ -0.0026996800000000, -0.0024441100000000, -0.0021875100000000 ] - [ -0.0033770300000000, 0.0016776100000000, -0.0007710400000000 ] - [ -0.0034004000000000, 0.0009176600000000, -0.0001318200000000 ] - [ -0.0034632700000000, 0.0017051000000000, 0.0004015300000000 ] - [ 0.0076987400000000, 0.0002963800000000, -0.0003649200000000 ] - [ 0.0074532000000000, 0.0002096300000000, 0.0002011200000000 ] - [ 0.0180581500000000, 0.0020472000000000, -0.0005313000000000 ] - [ -0.0121831700000000, 0.0025821300000000, -0.0112135500000000 ] - [ -0.0054937700000000, 0.0001844100000000, -0.0001559000000000 ] - [ -0.0120819700000000, 0.0023273100000000, 0.0109994200000000 ] - [ 0.0119728100000000, -0.0024893800000000, -0.0102672300000000 ] - [ 0.0116148100000000, -0.0022126200000000, 0.0099080800000000 ] - [ 0.1804937100000000, -0.0922647700000000, -0.0037799700000000 ] - [ -0.0017129200000000, 0.0004250900000000, 0.0011448200000000 ] - [ 0.0000119400000000, -0.0000738100000000, 0.0001887900000000 ] - [ -0.0017351300000000, 0.0003766700000000, -0.0008379200000000 ] - [ -0.0075804400000000, 0.0148664600000000, -0.0003168000000000 ] - [ -0.0030692400000000, 0.0029467700000000, 0.0020146600000000 ] - [ -0.0029488800000000, 0.0030431000000000, -0.0016052200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2482405000000000, -0.1416793400000000, -0.0092806400000000 ] - [ 0.0064955100000000, -0.0041351400000000, 0.0008228200000000 ] - [ 0.0064841900000000, -0.0041450500000000, -0.0009104100000000 ] - [ -0.0197753000000000, 0.0076929700000000, 0.0275519000000000 ] - [ -0.0143740700000000, 0.0003053400000000, 0.0010949200000000 ] - [ -0.0203288200000000, 0.0077152400000000, -0.0242356100000000 ] - [ -0.0161342600000000, -0.0002390800000000, -0.0007175300000000 ] - [ -0.0161745400000000, -0.0002742200000000, 0.0006419700000000 ] - [ -0.0166106000000000, -0.0003361500000000, -0.0002232900000000 ] - [ 0.0172905600000000, 0.0008607900000000, -0.0019400500000000 ] - [ 0.0164128800000000, 0.0003533200000000, 0.0001497800000000 ] - [ 0.0174474000000000, 0.0009424600000000, 0.0022714000000000 ] - [ -0.0043019700000000, -0.0043116700000000, -0.0007561700000000 ] - [ -0.0020040500000000, -0.0020685700000000, 0.0002249900000000 ] - [ -0.0043724000000000, -0.0044578400000000, 0.0013915300000000 ] - [ 0.0036046400000000, 0.0035398500000000, -0.0004707800000000 ] - [ 0.0035696700000000, 0.0035972300000000, 0.0010891800000000 ] - [ 0.0271148800000000, 0.0415792400000000, 0.0019091300000000 ] - [ -0.0016312700000000, 0.0019193500000000, 0.0001854400000000 ] - [ -0.0008744600000000, 0.0010985300000000, -0.0000279600000000 ] - [ -0.0016537900000000, 0.0019353900000000, -0.0000246800000000 ] - [ -0.0242845700000000, 0.0332322800000000, -0.0054029300000000 ] - [ -0.0020888900000000, 0.0029986400000000, 0.0015694700000000 ] - [ -0.0023129100000000, 0.0033320800000000, -0.0007654000000000 ] - [ -0.0017761800000000, -0.0017150500000000, 0.0001688400000000 ] - [ -0.0008407000000000, -0.0009212900000000, -0.0000394800000000 ] - [ -0.0017857500000000, -0.0017026400000000, -0.0001482600000000 ] - [ -0.0304491100000000, -0.0207372500000000, -0.0014129700000000 ] - [ -0.0013605000000000, -0.0021411700000000, 0.0009978500000000 ] - [ -0.0015513100000000, -0.0024204900000000, -0.0007270400000000 ] - [ -0.0013953500000000, 0.0005054700000000, -0.0001944400000000 ] - [ -0.0010477200000000, 0.0006946500000000, 0.0001688900000000 ] - [ -0.0014452900000000, 0.0006081700000000, 0.0005027700000000 ] - [ 0.0013233600000000, -0.0003396700000000, 0.0000580700000000 ] - [ 0.0013142000000000, -0.0003550500000000, 0.0003119500000000 ] - [ -0.0003746500000000, 0.0050544900000000, -0.0000862400000000 ] - [ -0.0059102900000000, -0.0008082300000000, 0.0000866600000000 ] - [ -0.0046567700000000, -0.0005910200000000, 0.0005865100000000 ] - [ -0.0046446000000000, -0.0005977900000000, -0.0003830900000000 ] - [ 0.0018699100000000, 0.0005939700000000, 0.0029844300000000 ] - [ 0.0026181400000000, 0.0003610400000000, 0.0000914600000000 ] - [ 0.0019220200000000, 0.0005352400000000, -0.0029723900000000 ] - [ 0.0040390900000000, -0.0004918800000000, -0.0038677000000000 ] - [ 0.0040084800000000, -0.0004922100000000, 0.0037294400000000 ] - [ -0.0221326200000000, 0.0063421500000000, 0.0000656300000000 ] - [ -0.0043245400000000, 0.0025305000000000, 0.0000777400000000 ] - [ -0.0029896500000000, 0.0019554300000000, 0.0001646400000000 ] - [ -0.0042803400000000, 0.0025102000000000, 0.0000856100000000 ] - [ 0.0044435900000000, 0.0009735400000000, -0.0006579300000000 ] - [ 0.0044007300000000, 0.0009804100000000, 0.0005510600000000 ] - [ 0.0051092000000000, 0.0007250300000000, -0.0001121100000000 ] - [ -0.0023294300000000, -0.0008482700000000, -0.0002240500000000 ] - [ -0.0030153600000000, -0.0007390800000000, 0.0000434200000000 ] - [ -0.0024233000000000, -0.0009286300000000, 0.0000848300000000 ] - [ -0.0068567800000000, 0.0009034700000000, 0.0000853000000000 ] - [ -0.0046442700000000, 0.0005962500000000, 0.0006922600000000 ] - [ -0.0046235300000000, 0.0006006000000000, -0.0004852600000000 ] - [ 0.0016923000000000, -0.0007328600000000, 0.0037061000000000 ] - [ 0.0027059400000000, -0.0003388800000000, 0.0001142800000000 ] - [ 0.0017179400000000, -0.0006774600000000, -0.0035779500000000 ] - [ 0.0036242500000000, 0.0027506400000000, 0.0001642200000000 ] - [ 0.0037505800000000, 0.0028061700000000, 0.0001816100000000 ] - [ 0.0096130200000000, 0.0074375000000000, -0.0006205400000000 ] - [ -0.0040190800000000, -0.0025701100000000, 0.0000400700000000 ] - [ -0.0029895300000000, -0.0020559500000000, 0.0001645200000000 ] - [ -0.0039990800000000, -0.0025516800000000, 0.0000787900000000 ] - [ -0.0083334200000000, 0.0017079700000000, -0.0265712300000000 ] - [ -0.0047464800000000, 0.0005463900000000, -0.0000376000000000 ] - [ -0.0077781100000000, 0.0014064800000000, 0.0257529600000000 ] - [ -0.0042704600000000, 0.0028728300000000, -0.0010658900000000 ] - [ -0.0009538100000000, 0.0003985600000000, -0.0003084800000000 ] - [ -0.0042687900000000, 0.0028562400000000, 0.0002889600000000 ] - [ 0.0176662900000000, 0.0153816500000000, -0.0015315400000000 ] - [ 0.0033051100000000, 0.0014590100000000, 0.0005168300000000 ] - [ 0.0032974200000000, 0.0014883700000000, -0.0007047000000000 ] - [ -0.0000647500000000, 0.0009250800000000, -0.0003010100000000 ] - [ 0.0003170100000000, 0.0007562500000000, -0.0002597300000000 ] - [ -0.0000643100000000, 0.0009311000000000, -0.0002649200000000 ] - [ 0.0034653400000000, -0.0025158000000000, 0.0003138200000000 ] - [ 0.0035527500000000, -0.0025335800000000, 0.0000275400000000 ] - [ 0.0119968400000000, -0.0073641300000000, -0.0002947100000000 ] - [ 0.0142851100000000, 0.0004110100000000, 0.0002859800000000 ] - [ 0.0145893800000000, 0.0002850500000000, -0.0001296300000000 ] - [ 0.0145944100000000, 0.0002810400000000, 0.0006827300000000 ] - [ -0.0004717600000000, 0.0005208900000000, -0.0000040000000000 ] - [ -0.0000376700000000, 0.0000379300000000, 0.0002161700000000 ] - [ -0.0000342400000000, 0.0000375900000000, -0.0001504400000000 ] - [ -0.0008882800000000, 0.0000525700000000, 0.0001640700000000 ] - [ -0.0003977800000000, -0.0000056800000000, 0.0000159000000000 ] - [ -0.0008894400000000, 0.0000614200000000, -0.0001837100000000 ] - [ 0.0005209900000000, -0.0015529000000000, -0.0004568200000000 ] - [ 0.0005318900000000, -0.0014980900000000, 0.0004075800000000 ] - [ -0.0118597500000000, -0.0134042400000000, 0.0002064300000000 ] - [ -0.0003729700000000, 0.0019019800000000, -0.0003712500000000 ] - [ -0.0001057300000000, 0.0006244600000000, -0.0000222400000000 ] - [ -0.0004519100000000, 0.0019068000000000, 0.0003545500000000 ] - [ 0.0083956100000000, 0.0007299600000000, -0.0013206700000000 ] - [ 0.0060033900000000, 0.0003643600000000, 0.0001406900000000 ] - [ 0.0083592400000000, 0.0006687300000000, 0.0017018700000000 ] - [ 0.0097705500000000, -0.0139997400000000, 0.0097468200000000 ] - [ 0.0128501800000000, 0.0009634800000000, -0.0160748800000000 ] - [ 0.0139422000000000, 0.0002078100000000, 0.0136022000000000 ] - [ 0.0243169800000000, 0.0024966100000000, 0.0008038000000000 ] - [ 0.0209413000000000, 0.0009404400000000, -0.0003128500000000 ] - [ 0.0242239600000000, 0.0025246500000000, -0.0011788100000000 ] - [ -0.0233448200000000, -0.0020848400000000, 0.0007337800000000 ] - [ -0.0233271300000000, -0.0021314000000000, -0.0018955300000000 ] - [ -0.0430385300000000, -0.0182956100000000, -0.0006723600000000 ] - [ -0.0109261200000000, -0.0021411600000000, 0.0003117400000000 ] - [ -0.0137298900000000, -0.0008349700000000, -0.0000251400000000 ] - [ -0.0108276000000000, -0.0021964700000000, -0.0004370600000000 ] - [ 0.0029199500000000, 0.0207551300000000, 0.0005866600000000 ] - [ -0.0031787900000000, 0.0019579500000000, -0.0023018800000000 ] - [ -0.0033245000000000, 0.0020261500000000, 0.0025428400000000 ] - [ -0.0025993200000000, -0.0012536800000000, 0.0004473800000000 ] - [ -0.0025862300000000, -0.0004930600000000, -0.0002065100000000 ] - [ -0.0025130300000000, -0.0012808600000000, -0.0007467500000000 ] - [ -0.0017383900000000, -0.0007184900000000, 0.0000430900000000 ] - [ -0.0014777500000000, -0.0006229600000000, -0.0005559400000000 ] - [ -0.0121040600000000, -0.0023908400000000, 0.0001985300000000 ] - [ 0.0062487900000000, -0.0030363300000000, 0.0108749200000000 ] - [ -0.0004832100000000, -0.0006145500000000, -0.0001798100000000 ] - [ 0.0061415700000000, -0.0027789500000000, -0.0113310100000000 ] - [ -0.0059839000000000, 0.0029099400000000, 0.0100161800000000 ] - [ -0.0056091200000000, 0.0026197500000000, -0.0103279400000000 ] - [ -0.1646375600000000, 0.0853515900000000, 0.0031847900000000 ] - [ 0.0077520400000000, -0.0008567400000000, -0.0008208700000000 ] - [ 0.0060083100000000, -0.0003527100000000, 0.0001443600000000 ] - [ 0.0077690800000000, -0.0008071600000000, 0.0011877800000000 ] - [ 0.0016225900000000, -0.0145838500000000, 0.0006652900000000 ] - [ -0.0029297400000000, -0.0025533900000000, -0.0017002700000000 ] - [ -0.0030643400000000, -0.0026289900000000, 0.0019553800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1428865700000000, -0.1481822900000000, -0.0071222700000000 ] - [ 0.0040377000000000, -0.0029513300000000, 0.0003463800000000 ] - [ 0.0040113200000000, -0.0029453200000000, -0.0005517700000000 ] - [ -0.0209832900000000, 0.0034254600000000, 0.0208422100000000 ] - [ -0.0148712700000000, -0.0000272000000000, 0.0008460500000000 ] - [ -0.0214153200000000, 0.0036851100000000, -0.0180955300000000 ] - [ -0.0157830900000000, -0.0002252200000000, -0.0003842400000000 ] - [ -0.0158040200000000, -0.0002501400000000, 0.0002023500000000 ] - [ -0.0158595400000000, -0.0003381100000000, -0.0001351600000000 ] - [ 0.0165585800000000, 0.0012029800000000, -0.0023105500000000 ] - [ 0.0159904100000000, 0.0003764500000000, 0.0000388400000000 ] - [ 0.0167098100000000, 0.0012303600000000, 0.0023090900000000 ] - [ -0.0030632200000000, -0.0036215800000000, -0.0002607800000000 ] - [ -0.0015625500000000, -0.0016526000000000, 0.0001853800000000 ] - [ -0.0030767600000000, -0.0036640300000000, 0.0007598400000000 ] - [ 0.0022654400000000, 0.0022592500000000, -0.0003958100000000 ] - [ 0.0023037500000000, 0.0023587100000000, 0.0008786100000000 ] - [ 0.0094318500000000, 0.0437827900000000, 0.0020647300000000 ] - [ -0.0008195500000000, 0.0011709900000000, 0.0000840100000000 ] - [ -0.0003345400000000, 0.0005987400000000, -0.0000549900000000 ] - [ -0.0008298600000000, 0.0011792600000000, -0.0000378800000000 ] - [ -0.0162454800000000, 0.0258001800000000, -0.0038906700000000 ] - [ -0.0017233000000000, 0.0023208700000000, 0.0010824900000000 ] - [ -0.0018606900000000, 0.0025285000000000, -0.0005824400000000 ] - [ -0.0007110800000000, -0.0007035300000000, 0.0000071200000000 ] - [ -0.0002246300000000, -0.0003259400000000, -0.0000705800000000 ] - [ -0.0007186300000000, -0.0006982100000000, -0.0001104000000000 ] - [ -0.0116957500000000, -0.0146042300000000, -0.0012188600000000 ] - [ -0.0014117600000000, -0.0021817700000000, 0.0005201400000000 ] - [ -0.0015043600000000, -0.0023242000000000, -0.0004170000000000 ] - [ -0.0005960000000000, 0.0003249500000000, 0.0001540200000000 ] - [ -0.0006912400000000, 0.0003964800000000, 0.0001327000000000 ] - [ -0.0006022600000000, 0.0003158000000000, 0.0000779700000000 ] - [ 0.0003834500000000, 0.0006533000000000, 0.0001215100000000 ] - [ 0.0004040100000000, 0.0005962800000000, 0.0001391100000000 ] - [ -0.0043787600000000, 0.0118565100000000, -0.0004769400000000 ] - [ -0.0051014400000000, -0.0007062700000000, 0.0000645400000000 ] - [ -0.0043195200000000, -0.0005812100000000, 0.0004132600000000 ] - [ -0.0043080800000000, -0.0005834000000000, -0.0002158200000000 ] - [ 0.0024620900000000, 0.0006610500000000, 0.0021050100000000 ] - [ 0.0030071300000000, 0.0004680800000000, 0.0001013100000000 ] - [ 0.0025020800000000, 0.0005953700000000, -0.0020021000000000 ] - [ 0.0039191200000000, -0.0004792600000000, -0.0028364200000000 ] - [ 0.0038959300000000, -0.0004795400000000, 0.0027168900000000 ] - [ -0.0173577600000000, 0.0058975600000000, -0.0000104300000000 ] - [ -0.0026491800000000, 0.0015982300000000, 0.0001536900000000 ] - [ -0.0020734100000000, 0.0014257400000000, 0.0001882900000000 ] - [ -0.0026287200000000, 0.0015963000000000, 0.0001586300000000 ] - [ 0.0042574900000000, 0.0009367600000000, -0.0000031300000000 ] - [ 0.0042331800000000, 0.0009390500000000, -0.0001067700000000 ] - [ 0.0063169900000000, 0.0022102500000000, -0.0001217800000000 ] - [ -0.0024181200000000, -0.0001453700000000, 0.0019400500000000 ] - [ -0.0030953700000000, -0.0005582700000000, 0.0000105700000000 ] - [ -0.0025325400000000, -0.0001878300000000, -0.0021246700000000 ] - [ -0.0049460000000000, 0.0006278200000000, 0.0000651400000000 ] - [ -0.0042145300000000, 0.0005322800000000, 0.0003049600000000 ] - [ -0.0042036200000000, 0.0005365800000000, -0.0001104500000000 ] - [ 0.0029363700000000, -0.0006242700000000, 0.0013324100000000 ] - [ 0.0032383000000000, -0.0004501900000000, 0.0001093300000000 ] - [ 0.0029656100000000, -0.0006018300000000, -0.0012189400000000 ] - [ 0.0028654900000000, 0.0023313700000000, 0.0001601200000000 ] - [ 0.0029208100000000, 0.0023442500000000, 0.0002421100000000 ] - [ 0.0075318700000000, 0.0062186800000000, -0.0003940200000000 ] - [ -0.0026896000000000, -0.0018839600000000, 0.0001271000000000 ] - [ -0.0021743000000000, -0.0016084400000000, 0.0001838000000000 ] - [ -0.0026710300000000, -0.0018814800000000, 0.0001259200000000 ] - [ -0.0073155000000000, -0.0003729200000000, -0.0187769000000000 ] - [ -0.0046861200000000, 0.0004843700000000, -0.0000494400000000 ] - [ -0.0069329500000000, -0.0004223500000000, 0.0182001300000000 ] - [ -0.0027443800000000, 0.0018339800000000, -0.0009623500000000 ] - [ -0.0002824000000000, -0.0000047500000000, -0.0002769900000000 ] - [ -0.0027573300000000, 0.0018320600000000, 0.0003175800000000 ] - [ 0.0153780400000000, 0.0308632100000000, -0.0013357000000000 ] - [ 0.0013765500000000, 0.0003580200000000, 0.0004589400000000 ] - [ 0.0013376600000000, 0.0003546500000000, -0.0006611900000000 ] - [ 0.0010519600000000, 0.0015274700000000, -0.0001863200000000 ] - [ 0.0008749200000000, 0.0010637900000000, -0.0002327100000000 ] - [ 0.0010475600000000, 0.0015285100000000, -0.0002869900000000 ] - [ 0.0026323900000000, -0.0018257200000000, 0.0001240900000000 ] - [ 0.0026496300000000, -0.0018251600000000, 0.0002739000000000 ] - [ 0.0074797300000000, -0.0048724400000000, -0.0000850100000000 ] - [ 0.0147259400000000, 0.0004136100000000, 0.0002426800000000 ] - [ 0.0149194600000000, 0.0002813500000000, -0.0000529300000000 ] - [ 0.0149198000000000, 0.0002757300000000, 0.0005315200000000 ] - [ -0.0003263500000000, 0.0011015100000000, 0.0000041800000000 ] - [ -0.0000206100000000, 0.0001772600000000, 0.0001271400000000 ] - [ -0.0000201300000000, 0.0001712700000000, -0.0000612700000000 ] - [ -0.0004984900000000, -0.0001055600000000, 0.0000773700000000 ] - [ -0.0002399400000000, -0.0000579200000000, 0.0000176600000000 ] - [ -0.0004842800000000, -0.0000960100000000, -0.0000711100000000 ] - [ 0.0002382200000000, -0.0013002800000000, -0.0001863900000000 ] - [ 0.0002414300000000, -0.0012639200000000, 0.0001518900000000 ] - [ 0.0035362400000000, -0.0028513600000000, -0.0000413200000000 ] - [ -0.0002890000000000, 0.0016238500000000, -0.0002378900000000 ] - [ -0.0000710000000000, 0.0005752000000000, -0.0000210600000000 ] - [ -0.0003547900000000, 0.0016290900000000, 0.0002143800000000 ] - [ 0.0056353400000000, 0.0007933200000000, -0.0003767300000000 ] - [ 0.0046268500000000, 0.0004113400000000, 0.0001432900000000 ] - [ 0.0056178400000000, 0.0007402700000000, 0.0007376800000000 ] - [ 0.0112796400000000, 0.0057544100000000, 0.0077909000000000 ] - [ 0.0150208600000000, 0.0017460300000000, -0.0115045000000000 ] - [ 0.0158936100000000, 0.0013719400000000, 0.0096778200000000 ] - [ 0.0207662300000000, 0.0022944700000000, -0.0000223400000000 ] - [ 0.0193915900000000, 0.0009160600000000, -0.0002384600000000 ] - [ 0.0207839600000000, 0.0023083700000000, -0.0004035700000000 ] - [ -0.0206608300000000, -0.0024428400000000, 0.0013941900000000 ] - [ -0.0207065400000000, -0.0023713100000000, -0.0020995000000000 ] - [ -0.0357970500000000, -0.0224579700000000, -0.0006129100000000 ] - [ -0.0136143400000000, -0.0021492900000000, 0.0002863600000000 ] - [ -0.0153087500000000, -0.0008341500000000, 0.0000215500000000 ] - [ -0.0135399400000000, -0.0022000400000000, -0.0002876600000000 ] - [ -0.0022228200000000, 0.0097138400000000, 0.0003827300000000 ] - [ -0.0032549500000000, 0.0014018700000000, -0.0006081700000000 ] - [ -0.0033457000000000, 0.0013934200000000, 0.0008813700000000 ] - [ -0.0037723000000000, -0.0019421800000000, -0.0010281400000000 ] - [ -0.0031101100000000, -0.0005095600000000, -0.0002046100000000 ] - [ -0.0037247400000000, -0.0019304400000000, 0.0007183900000000 ] - [ 0.0004592200000000, -0.0010655500000000, -0.0014670700000000 ] - [ 0.0006601700000000, -0.0009555300000000, 0.0009995600000000 ] - [ -0.0117392500000000, -0.0160070200000000, 0.0002895700000000 ] - [ 0.0035999200000000, -0.0016676000000000, 0.0086812200000000 ] - [ -0.0011700200000000, -0.0005025500000000, -0.0001870900000000 ] - [ 0.0035198800000000, -0.0014587700000000, -0.0090979100000000 ] - [ -0.0020669600000000, 0.0030172600000000, 0.0070503500000000 ] - [ -0.0018619400000000, 0.0027299600000000, -0.0073502500000000 ] - [ -0.0818532100000000, 0.0696897700000000, 0.0019878800000000 ] - [ 0.0058583700000000, -0.0005772700000000, -0.0004540500000000 ] - [ 0.0048033900000000, -0.0003148800000000, 0.0001434100000000 ] - [ 0.0058455000000000, -0.0005302200000000, 0.0008208500000000 ] - [ 0.0005881200000000, -0.0109729000000000, 0.0004540400000000 ] - [ -0.0028936500000000, -0.0019871700000000, -0.0011501500000000 ] - [ -0.0029788100000000, -0.0020169300000000, 0.0013807300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1476356300000000, 0.1503793300000000, 0.0066611700000000 ] - [ -0.0061348500000000, 0.0048224800000000, -0.0007804700000000 ] - [ -0.0061229500000000, 0.0048285800000000, 0.0001323800000000 ] - [ -0.0098487500000000, -0.0034242800000000, -0.0201612100000000 ] - [ -0.0159034900000000, 0.0000263000000000, -0.0004711800000000 ] - [ -0.0094078100000000, -0.0036846700000000, 0.0182940800000000 ] - [ -0.0150006100000000, 0.0002233300000000, 0.0000311600000000 ] - [ -0.0149806700000000, 0.0002484800000000, -0.0005466100000000 ] - [ -0.0149271500000000, 0.0003360900000000, -0.0002133000000000 ] - [ 0.0142282500000000, -0.0011914100000000, 0.0019782500000000 ] - [ 0.0147935800000000, -0.0003723300000000, -0.0003904100000000 ] - [ 0.0140763100000000, -0.0012180400000000, -0.0026866500000000 ] - [ 0.0019614800000000, 0.0028952500000000, 0.0004626200000000 ] - [ 0.0004715000000000, 0.0009361500000000, 0.0000204700000000 ] - [ 0.0019748300000000, 0.0029374000000000, -0.0005468700000000 ] - [ -0.0011621600000000, -0.0015234000000000, 0.0005943300000000 ] - [ -0.0011983500000000, -0.0016194600000000, -0.0006665800000000 ] - [ -0.0081991100000000, -0.0434211100000000, -0.0018721500000000 ] - [ 0.0018894600000000, -0.0018647900000000, -0.0002884600000000 ] - [ 0.0014094000000000, -0.0012977000000000, -0.0001502800000000 ] - [ 0.0019002500000000, -0.0018737900000000, -0.0001676900000000 ] - [ 0.0150734700000000, -0.0249253800000000, 0.0036720700000000 ] - [ 0.0006299300000000, -0.0015929200000000, -0.0012751500000000 ] - [ 0.0007786600000000, -0.0018179200000000, 0.0003780800000000 ] - [ 0.0017814400000000, 0.0014005900000000, -0.0002119800000000 ] - [ 0.0013001600000000, 0.0010269300000000, -0.0001351400000000 ] - [ 0.0017890600000000, 0.0013954000000000, -0.0000963000000000 ] - [ 0.0105229700000000, 0.0137280700000000, 0.0010002600000000 ] - [ 0.0003247400000000, 0.0014581700000000, -0.0007200800000000 ] - [ 0.0004231500000000, 0.0016105400000000, 0.0002116600000000 ] - [ -0.0004853200000000, 0.0003745700000000, 0.0000501900000000 ] - [ -0.0003924400000000, 0.0003097100000000, 0.0000728200000000 ] - [ -0.0004794300000000, 0.0003838300000000, 0.0001294800000000 ] - [ 0.0007008700000000, -0.0013580600000000, 0.0000852200000000 ] - [ 0.0006816000000000, -0.0013047800000000, 0.0000639400000000 ] - [ 0.0054444900000000, -0.0125236200000000, 0.0006816900000000 ] - [ -0.0024478700000000, -0.0003696300000000, 0.0000836200000000 ] - [ -0.0032179600000000, -0.0004919000000000, -0.0002599300000000 ] - [ -0.0032282700000000, -0.0004894300000000, 0.0003629100000000 ] - [ 0.0050599700000000, 0.0004115300000000, -0.0019388700000000 ] - [ 0.0045182700000000, 0.0006034500000000, 0.0000537800000000 ] - [ 0.0050200500000000, 0.0004760500000000, 0.0021341600000000 ] - [ 0.0036095600000000, -0.0005913200000000, 0.0026654100000000 ] - [ 0.0036311200000000, -0.0005911500000000, -0.0028487200000000 ] - [ 0.0249062300000000, -0.0070133700000000, -0.0001376800000000 ] - [ 0.0004923400000000, 0.0003144200000000, 0.0002770800000000 ] - [ -0.0000750500000000, 0.0004827800000000, 0.0002418800000000 ] - [ 0.0004735900000000, 0.0003152100000000, 0.0002724000000000 ] - [ 0.0032791700000000, 0.0001379900000000, -0.0001449100000000 ] - [ 0.0033023400000000, 0.0001355500000000, -0.0000450800000000 ] - [ 0.0012547700000000, -0.0011220700000000, -0.0000277700000000 ] - [ -0.0050975300000000, -0.0009337500000000, -0.0020628500000000 ] - [ -0.0044308000000000, -0.0005174100000000, -0.0001596000000000 ] - [ -0.0049857300000000, -0.0008926300000000, 0.0019461600000000 ] - [ -0.0026028000000000, 0.0004467100000000, 0.0000846000000000 ] - [ -0.0033216600000000, 0.0005402700000000, -0.0001509300000000 ] - [ -0.0033321000000000, 0.0005361700000000, 0.0002584900000000 ] - [ 0.0045911300000000, -0.0004497300000000, -0.0011700000000000 ] - [ 0.0042894000000000, -0.0006213100000000, 0.0000422000000000 ] - [ 0.0045604900000000, -0.0004708300000000, 0.0013534800000000 ] - [ -0.0007108200000000, -0.0004156400000000, 0.0002717100000000 ] - [ -0.0007696400000000, -0.0004308800000000, 0.0001870300000000 ] - [ -0.0053825300000000, -0.0043099200000000, 0.0008260100000000 ] - [ 0.0005322300000000, -0.0000310200000000, 0.0003014100000000 ] - [ 0.0000248700000000, -0.0003015200000000, 0.0002451600000000 ] - [ 0.0005161900000000, -0.0000313800000000, 0.0003035000000000 ] - [ -0.0002788400000000, 0.0014768100000000, 0.0185300100000000 ] - [ -0.0028552700000000, 0.0005897900000000, -0.0000978600000000 ] - [ -0.0006596500000000, 0.0015215800000000, -0.0182598000000000 ] - [ 0.0048572200000000, -0.0037157000000000, 0.0005270000000000 ] - [ 0.0024109800000000, -0.0018922100000000, -0.0001550500000000 ] - [ 0.0048735500000000, -0.0037175000000000, -0.0007480600000000 ] - [ -0.0172873000000000, -0.0321026900000000, 0.0008816600000000 ] - [ -0.0034954800000000, -0.0022537200000000, -0.0008858300000000 ] - [ -0.0034644900000000, -0.0022572200000000, 0.0002280400000000 ] - [ 0.0010879400000000, 0.0003806200000000, -0.0002433400000000 ] - [ 0.0012622300000000, 0.0008412400000000, -0.0001974800000000 ] - [ 0.0010938600000000, 0.0003816300000000, -0.0001439600000000 ] - [ -0.0004794000000000, -0.0000841300000000, 0.0003048300000000 ] - [ -0.0004995200000000, -0.0000830000000000, 0.0001550700000000 ] - [ -0.0052728500000000, 0.0029674600000000, 0.0005161000000000 ] - [ 0.0160493700000000, -0.0004107100000000, 0.0001046000000000 ] - [ 0.0158572500000000, -0.0002790800000000, 0.0004013200000000 ] - [ 0.0158559000000000, -0.0002734400000000, -0.0001802800000000 ] - [ 0.0003266400000000, -0.0010986500000000, 0.0000376600000000 ] - [ 0.0000280100000000, -0.0001759300000000, -0.0000860300000000 ] - [ 0.0000269100000000, -0.0001723100000000, 0.0001015500000000 ] - [ 0.0004889500000000, 0.0001050600000000, -0.0000366500000000 ] - [ 0.0002302100000000, 0.0000582400000000, 0.0000216800000000 ] - [ 0.0004715700000000, 0.0000954500000000, 0.0001113800000000 ] - [ -0.0002438900000000, 0.0012865200000000, 0.0001404800000000 ] - [ -0.0002468700000000, 0.0012482600000000, -0.0001889600000000 ] - [ -0.0035594900000000, 0.0027626900000000, 0.0000042000000000 ] - [ 0.0002960700000000, -0.0016070000000000, 0.0001948200000000 ] - [ 0.0000764100000000, -0.0005704600000000, -0.0000199900000000 ] - [ 0.0003599300000000, -0.0016164400000000, -0.0002527300000000 ] - [ 0.0003887000000000, -0.0003648300000000, 0.0007051200000000 ] - [ 0.0013853200000000, 0.0000151300000000, 0.0001910900000000 ] - [ 0.0004015200000000, -0.0003125900000000, -0.0003927800000000 ] - [ 0.0222914800000000, -0.0051140000000000, -0.0074984200000000 ] - [ 0.0198335100000000, -0.0017237300000000, 0.0115747300000000 ] - [ 0.0189645900000000, -0.0013499900000000, -0.0094518700000000 ] - [ 0.0141547600000000, -0.0022754500000000, -0.0001836800000000 ] - [ 0.0155135300000000, -0.0009078500000000, 0.0000264800000000 ] - [ 0.0141368400000000, -0.0022901100000000, 0.0001873200000000 ] - [ -0.0142597200000000, 0.0024129000000000, -0.0016138900000000 ] - [ -0.0142118700000000, 0.0023437400000000, 0.0019056200000000 ] - [ 0.0008992200000000, 0.0223913600000000, 0.0004125100000000 ] - [ -0.0212399200000000, 0.0021335000000000, -0.0000766400000000 ] - [ -0.0195566300000000, 0.0008268700000000, 0.0001883000000000 ] - [ -0.0213145200000000, 0.0021833000000000, 0.0004981000000000 ] - [ -0.0037683800000000, -0.0100464700000000, -0.0000418600000000 ] - [ -0.0027470100000000, -0.0018161500000000, 0.0009347500000000 ] - [ -0.0026598900000000, -0.0018153400000000, -0.0005417900000000 ] - [ -0.0022358300000000, 0.0023594800000000, 0.0006823500000000 ] - [ -0.0028882600000000, 0.0009317700000000, -0.0001331500000000 ] - [ -0.0022838600000000, 0.0023500400000000, -0.0010421900000000 ] - [ 0.0055143100000000, 0.0006486000000000, 0.0011158800000000 ] - [ 0.0053217900000000, 0.0005436900000000, -0.0013243700000000 ] - [ 0.0175183700000000, 0.0155317200000000, -0.0006219000000000 ] - [ -0.0095292600000000, 0.0012137200000000, -0.0089745200000000 ] - [ -0.0048113400000000, 0.0000709000000000, -0.0001482000000000 ] - [ -0.0094554900000000, 0.0010065600000000, 0.0087181900000000 ] - [ 0.0080336900000000, -0.0025896200000000, -0.0072984200000000 ] - [ 0.0078405300000000, -0.0023129100000000, 0.0069276100000000 ] - [ 0.0918114200000000, -0.0704063200000000, -0.0024119300000000 ] - [ 0.0001664500000000, 0.0001503600000000, 0.0007818500000000 ] - [ 0.0012095300000000, -0.0001104900000000, 0.0001903200000000 ] - [ 0.0001747600000000, 0.0001044000000000, -0.0004759600000000 ] - [ -0.0065257200000000, 0.0113501100000000, -0.0001133800000000 ] - [ -0.0030980200000000, 0.0023934800000000, 0.0014727200000000 ] - [ -0.0030204100000000, 0.0024362800000000, -0.0010364100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0084824600000000, -0.0062317500000000, -0.0351250100000000 ] - [ -0.0003507300000000, 0.0006038000000000, 0.0007559500000000 ] - [ -0.0020977200000000, 0.0015083800000000, 0.0007569500000000 ] - [ -0.0236756400000000, 0.0071309600000000, 0.0064773400000000 ] - [ -0.0151614600000000, -0.0002037400000000, 0.0036800200000000 ] - [ -0.0078541500000000, -0.0069340100000000, 0.0099992600000000 ] - [ -0.0154073400000000, -0.0000025900000000, -0.0000451200000000 ] - [ -0.0154454500000000, -0.0000191700000000, -0.0000718200000000 ] - [ -0.0154427500000000, -0.0000116100000000, -0.0003928200000000 ] - [ 0.0154884300000000, -0.0001511500000000, -0.0003567800000000 ] - [ 0.0154345100000000, 0.0000169300000000, 0.0005584500000000 ] - [ 0.0153833700000000, 0.0002945200000000, -0.0006505100000000 ] - [ -0.0004449200000000, -0.0001738400000000, -0.0000007300000000 ] - [ -0.0006085300000000, -0.0004336200000000, 0.0002047100000000 ] - [ -0.0009081500000000, -0.0007953300000000, 0.0000868900000000 ] - [ 0.0004151900000000, -0.0001261400000000, 0.0003804400000000 ] - [ 0.0009379800000000, 0.0012028200000000, 0.0004120300000000 ] - [ 0.0013676600000000, 0.0024696200000000, -0.0036280000000000 ] - [ 0.0004604200000000, -0.0003051200000000, -0.0001182400000000 ] - [ 0.0005002100000000, -0.0003022500000000, -0.0000553700000000 ] - [ 0.0004008100000000, -0.0001862800000000, -0.0001183200000000 ] - [ -0.0038195600000000, 0.0051496800000000, 0.0005561500000000 ] - [ -0.0011716700000000, 0.0012754100000000, 0.0004065300000000 ] - [ 0.0008893800000000, -0.0016882800000000, 0.0003257300000000 ] - [ 0.0004736800000000, 0.0002749800000000, -0.0001062000000000 ] - [ 0.0005008800000000, 0.0003124800000000, -0.0000553200000000 ] - [ 0.0004225200000000, 0.0002766400000000, -0.0001366300000000 ] - [ -0.0017695300000000, -0.0018306800000000, -0.0022750400000000 ] - [ -0.0009642200000000, -0.0008148600000000, 0.0002161300000000 ] - [ 0.0003859700000000, 0.0007557800000000, 0.0001889900000000 ] - [ -0.0005946500000000, 0.0003215900000000, 0.0000478600000000 ] - [ -0.0005748600000000, 0.0003832300000000, 0.0001658400000000 ] - [ -0.0005809400000000, 0.0003968700000000, 0.0000594400000000 ] - [ 0.0006094000000000, -0.0003528200000000, 0.0001728600000000 ] - [ 0.0005721400000000, -0.0004772200000000, 0.0001310600000000 ] - [ 0.0004230300000000, 0.0001130400000000, 0.0001586700000000 ] - [ -0.0040074600000000, -0.0005786100000000, -0.0001403500000000 ] - [ -0.0038905700000000, -0.0005574800000000, 0.0002983000000000 ] - [ -0.0036247800000000, -0.0005033100000000, 0.0000693400000000 ] - [ 0.0035577100000000, 0.0005316700000000, 0.0003320800000000 ] - [ 0.0037932800000000, 0.0005164400000000, 0.0008807100000000 ] - [ 0.0036961200000000, 0.0005506900000000, -0.0008640700000000 ] - [ 0.0041267100000000, -0.0006180900000000, 0.0003647700000000 ] - [ 0.0032711900000000, -0.0004133200000000, 0.0005773200000000 ] - [ 0.0026859300000000, -0.0002192200000000, -0.0002773500000000 ] - [ -0.0012096100000000, 0.0010157500000000, 0.0002107100000000 ] - [ -0.0011213400000000, 0.0009800900000000, 0.0002383400000000 ] - [ -0.0012009500000000, 0.0010105800000000, 0.0001936200000000 ] - [ 0.0039152400000000, 0.0006093800000000, 0.0000598900000000 ] - [ 0.0035819400000000, 0.0004715400000000, 0.0000500600000000 ] - [ 0.0038553400000000, 0.0005460000000000, -0.0003433800000000 ] - [ -0.0036373200000000, -0.0004409200000000, -0.0002612600000000 ] - [ -0.0037585900000000, -0.0005489900000000, 0.0005687900000000 ] - [ -0.0038054500000000, -0.0006628700000000, -0.0004875200000000 ] - [ -0.0039218400000000, 0.0005743600000000, -0.0001384700000000 ] - [ -0.0038961000000000, 0.0005565100000000, 0.0002718300000000 ] - [ -0.0036226900000000, 0.0004975500000000, 0.0001087200000000 ] - [ 0.0035775300000000, -0.0005476900000000, 0.0000564200000000 ] - [ 0.0037724900000000, -0.0005232700000000, 0.0007154600000000 ] - [ 0.0038243100000000, -0.0005208100000000, -0.0006392600000000 ] - [ 0.0011221200000000, 0.0010097100000000, 0.0003042300000000 ] - [ 0.0011044300000000, 0.0009266900000000, 0.0002092600000000 ] - [ 0.0019007800000000, 0.0015595900000000, 0.0000955200000000 ] - [ -0.0012452300000000, -0.0010408200000000, 0.0002148300000000 ] - [ -0.0011207400000000, -0.0009838200000000, 0.0002382700000000 ] - [ -0.0012061600000000, -0.0010415600000000, 0.0001858000000000 ] - [ 0.0031658100000000, -0.0033294900000000, -0.0006016700000000 ] - [ -0.0037929400000000, 0.0005324600000000, 0.0016490200000000 ] - [ -0.0100095200000000, 0.0039563300000000, 0.0002371600000000 ] - [ 0.0015743800000000, -0.0014855500000000, -0.0002870500000000 ] - [ 0.0009780800000000, -0.0008926000000000, -0.0001643400000000 ] - [ 0.0002198400000000, -0.0002092000000000, -0.0002819200000000 ] - [ 0.0002320800000000, 0.0001331700000000, -0.0026770100000000 ] - [ -0.0005740700000000, -0.0005039400000000, 0.0000804900000000 ] - [ -0.0017928800000000, -0.0016200100000000, 0.0000789500000000 ] - [ 0.0010207100000000, 0.0008818500000000, -0.0002293200000000 ] - [ 0.0010260200000000, 0.0009362000000000, -0.0001880800000000 ] - [ 0.0009857700000000, 0.0009829900000000, -0.0002284700000000 ] - [ 0.0009705300000000, -0.0010447800000000, 0.0003670200000000 ] - [ 0.0012580400000000, -0.0008951300000000, 0.0002992300000000 ] - [ 0.0015830200000000, -0.0012582600000000, -0.0001226500000000 ] - [ 0.0153420000000000, 0.0000165100000000, -0.0000768300000000 ] - [ 0.0153673100000000, 0.0000002900000000, 0.0003255100000000 ] - [ 0.0153434400000000, 0.0000216100000000, 0.0002950100000000 ] - [ -0.0000968100000000, 0.0003019300000000, 0.0000082400000000 ] - [ -0.0000445100000000, 0.0000022200000000, 0.0000697300000000 ] - [ 0.0000919500000000, -0.0000191100000000, 0.0000119600000000 ] - [ -0.0001004600000000, -0.0000305900000000, 0.0000184900000000 ] - [ -0.0000059400000000, 0.0000001800000000, 0.0000459900000000 ] - [ -0.0000076100000000, -0.0000000500000000, -0.0000254200000000 ] - [ 0.0001012600000000, 0.0000768300000000, 0.0000324400000000 ] - [ -0.0001187600000000, -0.0001887200000000, 0.0000467100000000 ] - [ -0.0005785400000000, -0.0005638100000000, -0.0022297700000000 ] - [ -0.0000245300000000, -0.0000429600000000, -0.0000729300000000 ] - [ -0.0000064300000000, 0.0000211800000000, 0.0000249200000000 ] - [ 0.0000089400000000, 0.0001575200000000, -0.0000526500000000 ] - [ 0.0032733800000000, 0.0002909100000000, 0.0001624900000000 ] - [ 0.0030514800000000, 0.0002174700000000, -0.0001155300000000 ] - [ 0.0031469100000000, 0.0002133300000000, 0.0004543500000000 ] - [ 0.0153979700000000, 0.0008805300000000, 0.0154118500000000 ] - [ 0.0181825700000000, -0.0007329900000000, -0.0063004200000000 ] - [ 0.0153904100000000, 0.0015266700000000, -0.0076713500000000 ] - [ 0.0176055700000000, -0.0000817000000000, 0.0000075400000000 ] - [ 0.0175788400000000, 0.0000345200000000, -0.0003395300000000 ] - [ 0.0178888900000000, 0.0002712700000000, -0.0000013500000000 ] - [ -0.0173631500000000, 0.0005218700000000, -0.0007666900000000 ] - [ -0.0179412900000000, -0.0006185500000000, -0.0005054700000000 ] - [ -0.0188098500000000, -0.0012012400000000, 0.0010026400000000 ] - [ -0.0173949000000000, 0.0001554300000000, 0.0002187000000000 ] - [ -0.0173014600000000, -0.0000345200000000, -0.0001273300000000 ] - [ -0.0169225900000000, -0.0003133900000000, 0.0002237900000000 ] - [ -0.0026546600000000, 0.0007479100000000, 0.0011052200000000 ] - [ -0.0023392300000000, 0.0001949600000000, -0.0004148300000000 ] - [ -0.0040069700000000, -0.0009417100000000, 0.0000363900000000 ] - [ -0.0030534600000000, 0.0003035400000000, -0.0000325100000000 ] - [ -0.0029425800000000, 0.0001920100000000, -0.0004948700000000 ] - [ -0.0028594300000000, 0.0000619100000000, 0.0000134400000000 ] - [ 0.0023270900000000, -0.0007600400000000, -0.0006051500000000 ] - [ 0.0037153000000000, 0.0005519600000000, -0.0004867300000000 ] - [ 0.0020316000000000, -0.0005577300000000, 0.0005838600000000 ] - [ -0.0043113200000000, 0.0006452400000000, 0.0009010800000000 ] - [ -0.0028550600000000, -0.0002291700000000, -0.0010242900000000 ] - [ -0.0011768000000000, -0.0011440600000000, 0.0002128200000000 ] - [ 0.0011857800000000, 0.0010712600000000, -0.0032135800000000 ] - [ 0.0047600400000000, -0.0008086100000000, -0.0035856100000000 ] - [ 0.0007692100000000, 0.0011795000000000, 0.0223386600000000 ] - [ 0.0033738700000000, -0.0002496800000000, 0.0000996300000000 ] - [ 0.0030272100000000, -0.0002262500000000, -0.0001019600000000 ] - [ 0.0031861000000000, -0.0001888600000000, 0.0005025300000000 ] - [ -0.0023605700000000, -0.0014980100000000, 0.0006716300000000 ] - [ -0.0025308000000000, -0.0003611600000000, -0.0004731900000000 ] - [ -0.0039763100000000, 0.0013483100000000, 0.0002630100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0096443900000000, 0.0075431700000000, 0.0346972300000000 ] - [ -0.0017626200000000, 0.0012874400000000, -0.0011882800000000 ] - [ -0.0000135200000000, 0.0003813800000000, -0.0011873000000000 ] - [ -0.0072639400000000, -0.0069845100000000, -0.0059953500000000 ] - [ -0.0156194600000000, 0.0002094300000000, -0.0033378500000000 ] - [ -0.0230578600000000, 0.0070650800000000, -0.0098167400000000 ] - [ -0.0153725600000000, 0.0000021600000000, -0.0003079600000000 ] - [ -0.0153353700000000, 0.0000190100000000, -0.0002695700000000 ] - [ -0.0153383400000000, 0.0000112700000000, 0.0000462300000000 ] - [ 0.0152911300000000, 0.0001498600000000, -0.0000043400000000 ] - [ 0.0153450600000000, -0.0000176000000000, -0.0009080700000000 ] - [ 0.0153970600000000, -0.0002967400000000, 0.0003186600000000 ] - [ -0.0006406700000000, -0.0005397100000000, 0.0002024200000000 ] - [ -0.0004726600000000, -0.0002728700000000, 0.0000011200000000 ] - [ -0.0001784200000000, 0.0000810400000000, 0.0001254300000000 ] - [ 0.0006642200000000, 0.0008269100000000, -0.0001750500000000 ] - [ 0.0001435300000000, -0.0005009600000000, -0.0002071600000000 ] - [ -0.0002512000000000, -0.0016516600000000, 0.0038432000000000 ] - [ 0.0006199200000000, -0.0003998800000000, -0.0000885100000000 ] - [ 0.0005797900000000, -0.0004019800000000, -0.0001500600000000 ] - [ 0.0006792000000000, -0.0005181300000000, -0.0000853900000000 ] - [ 0.0028462300000000, -0.0046098300000000, -0.0007301100000000 ] - [ 0.0000713600000000, -0.0005410900000000, -0.0006052200000000 ] - [ -0.0019945100000000, 0.0024296600000000, -0.0005325600000000 ] - [ 0.0006052200000000, 0.0004287400000000, -0.0001003600000000 ] - [ 0.0005787900000000, 0.0003915200000000, -0.0001503800000000 ] - [ 0.0006558300000000, 0.0004260900000000, -0.0000673800000000 ] - [ 0.0007224300000000, 0.0011330500000000, 0.0020710000000000 ] - [ -0.0001269200000000, 0.0000949000000000, -0.0004201800000000 ] - [ -0.0014810300000000, -0.0014805100000000, -0.0003953300000000 ] - [ -0.0004853300000000, 0.0003833800000000, 0.0001569000000000 ] - [ -0.0005058200000000, 0.0003227100000000, 0.0000400000000000 ] - [ -0.0004993000000000, 0.0003080500000000, 0.0001482700000000 ] - [ 0.0004708600000000, -0.0003497100000000, 0.0000317200000000 ] - [ 0.0005089600000000, -0.0002265100000000, 0.0000758900000000 ] - [ 0.0006517400000000, -0.0008111700000000, 0.0000469400000000 ] - [ -0.0035196500000000, -0.0004929800000000, 0.0002894500000000 ] - [ -0.0036441200000000, -0.0005157600000000, -0.0001522700000000 ] - [ -0.0039103500000000, -0.0005698100000000, 0.0000854900000000 ] - [ 0.0039756000000000, 0.0005402600000000, -0.0002042200000000 ] - [ 0.0037339700000000, 0.0005572800000000, -0.0007308300000000 ] - [ 0.0038369800000000, 0.0005210800000000, 0.0010410500000000 ] - [ 0.0034148800000000, -0.0004571600000000, -0.0005268100000000 ] - [ 0.0042702900000000, -0.0006626500000000, -0.0007177000000000 ] - [ 0.0047167100000000, -0.0008205900000000, 0.0001264900000000 ] - [ -0.0009342000000000, 0.0008919800000000, 0.0002206400000000 ] - [ -0.0010203300000000, 0.0009260300000000, 0.0001927400000000 ] - [ -0.0009420500000000, 0.0008963400000000, 0.0002391000000000 ] - [ 0.0036206000000000, 0.0004655600000000, -0.0002136200000000 ] - [ 0.0039541800000000, 0.0006038000000000, -0.0001957700000000 ] - [ 0.0036750700000000, 0.0005261400000000, 0.0001948100000000 ] - [ -0.0038910400000000, -0.0006297700000000, 0.0001038900000000 ] - [ -0.0037704700000000, -0.0005228000000000, -0.0007199700000000 ] - [ -0.0037238600000000, -0.0004087000000000, 0.0003454100000000 ] - [ -0.0036087500000000, 0.0004971600000000, 0.0002892000000000 ] - [ -0.0036392900000000, 0.0005170400000000, -0.0001231500000000 ] - [ -0.0039132700000000, 0.0005763100000000, 0.0000453600000000 ] - [ 0.0039513500000000, -0.0005262100000000, 0.0000854100000000 ] - [ 0.0037552400000000, -0.0005498400000000, -0.0005665400000000 ] - [ 0.0037025200000000, -0.0005528500000000, 0.0007980300000000 ] - [ 0.0010198600000000, 0.0008977900000000, 0.0001268200000000 ] - [ 0.0010369900000000, 0.0009812100000000, 0.0002242000000000 ] - [ 0.0002328800000000, 0.0003393000000000, 0.0003367000000000 ] - [ -0.0008971000000000, -0.0008661500000000, 0.0002142600000000 ] - [ -0.0010207800000000, -0.0009219500000000, 0.0001917600000000 ] - [ -0.0009345900000000, -0.0008634800000000, 0.0002456300000000 ] - [ -0.0106174900000000, 0.0043612400000000, 0.0004314100000000 ] - [ -0.0037388400000000, 0.0005424600000000, -0.0017974300000000 ] - [ 0.0025548500000000, -0.0029241600000000, -0.0003574700000000 ] - [ 0.0005631100000000, -0.0004194400000000, -0.0001493000000000 ] - [ 0.0011633600000000, -0.0010142000000000, -0.0002670300000000 ] - [ 0.0019192000000000, -0.0016983200000000, -0.0001441800000000 ] - [ -0.0023866000000000, -0.0020838300000000, 0.0022448600000000 ] - [ -0.0015546700000000, -0.0013928100000000, -0.0005106600000000 ] - [ -0.0003319000000000, -0.0002747700000000, -0.0005123500000000 ] - [ 0.0011202800000000, 0.0010243000000000, -0.0002011200000000 ] - [ 0.0011154800000000, 0.0009710400000000, -0.0002416800000000 ] - [ 0.0011565400000000, 0.0009255100000000, -0.0002001800000000 ] - [ 0.0011706200000000, -0.0008636400000000, 0.0000635400000000 ] - [ 0.0008825000000000, -0.0010133400000000, 0.0001310900000000 ] - [ 0.0005685000000000, -0.0006568300000000, 0.0005539000000000 ] - [ 0.0154367000000000, -0.0000151900000000, 0.0004240800000000 ] - [ 0.0154120200000000, 0.0000006000000000, 0.0000185100000000 ] - [ 0.0154347300000000, -0.0000208100000000, 0.0000582600000000 ] - [ 0.0001082800000000, -0.0003122300000000, 0.0000343500000000 ] - [ 0.0000518000000000, -0.0000034700000000, -0.0000301000000000 ] - [ -0.0000856900000000, 0.0000164900000000, 0.0000305000000000 ] - [ 0.0000930500000000, 0.0000314600000000, 0.0000218800000000 ] - [ -0.0000040700000000, 0.0000006600000000, -0.0000063200000000 ] - [ -0.0000031200000000, 0.0000011700000000, 0.0000677200000000 ] - [ -0.0001080900000000, -0.0000740300000000, -0.0000738400000000 ] - [ 0.0001128700000000, 0.0001884300000000, -0.0000869700000000 ] - [ 0.0005354200000000, 0.0005378100000000, 0.0021933200000000 ] - [ 0.0000346100000000, 0.0000484500000000, 0.0000299200000000 ] - [ 0.0000137200000000, -0.0000210600000000, -0.0000653400000000 ] - [ -0.0000023900000000, -0.0001553700000000, 0.0000151800000000 ] - [ 0.0027318700000000, 0.0001350300000000, 0.0001798900000000 ] - [ 0.0029529600000000, 0.0002089600000000, 0.0004513900000000 ] - [ 0.0028556700000000, 0.0002129000000000, -0.0001235900000000 ] - [ 0.0199914500000000, -0.0012462500000000, -0.0153143300000000 ] - [ 0.0167091600000000, 0.0007268400000000, 0.0064446700000000 ] - [ 0.0195080100000000, -0.0015404400000000, 0.0079465900000000 ] - [ 0.0172848800000000, 0.0000877900000000, -0.0002152000000000 ] - [ 0.0173069800000000, -0.0000335000000000, 0.0001278300000000 ] - [ 0.0170028900000000, -0.0002656200000000, -0.0002143500000000 ] - [ -0.0175222800000000, -0.0005176700000000, 0.0005639300000000 ] - [ -0.0169453600000000, 0.0006217600000000, 0.0002865600000000 ] - [ -0.0161066000000000, 0.0011754200000000, -0.0012144600000000 ] - [ -0.0174840800000000, -0.0001588900000000, -0.0000036000000000 ] - [ -0.0175799600000000, 0.0000334600000000, 0.0003391000000000 ] - [ -0.0179554700000000, 0.0003085100000000, -0.0000152800000000 ] - [ -0.0033457900000000, -0.0011675100000000, -0.0007673700000000 ] - [ -0.0036477600000000, -0.0006105000000000, 0.0007541500000000 ] - [ -0.0019778800000000, 0.0005286600000000, 0.0002942800000000 ] - [ -0.0029464500000000, 0.0001177600000000, -0.0002952400000000 ] - [ -0.0030604900000000, 0.0002318800000000, 0.0001584700000000 ] - [ -0.0031424000000000, 0.0003595400000000, -0.0003555500000000 ] - [ 0.0036580900000000, 0.0003225600000000, 0.0002736600000000 ] - [ 0.0022684800000000, -0.0009899700000000, 0.0001462900000000 ] - [ 0.0039761500000000, 0.0001380300000000, -0.0009201800000000 ] - [ -0.0016880700000000, -0.0010619500000000, -0.0011716200000000 ] - [ -0.0031466100000000, -0.0001959600000000, 0.0006904900000000 ] - [ -0.0048245500000000, 0.0007277800000000, -0.0006168000000000 ] - [ 0.0047923400000000, -0.0006411000000000, 0.0028811700000000 ] - [ 0.0012154400000000, 0.0012422500000000, 0.0032502900000000 ] - [ 0.0039012800000000, 0.0000859700000000, -0.0226166100000000 ] - [ 0.0026251300000000, -0.0001779200000000, 0.0002429400000000 ] - [ 0.0029766000000000, -0.0001999200000000, 0.0004374300000000 ] - [ 0.0028100200000000, -0.0002389100000000, -0.0001727900000000 ] - [ -0.0036663800000000, 0.0019780800000000, -0.0003359500000000 ] - [ -0.0034516700000000, 0.0007701100000000, 0.0008243200000000 ] - [ -0.0020050600000000, -0.0009419100000000, 0.0000575200000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0033188800000000, -0.0046327900000000, -0.0084603900000000 ] - [ 0.0038929200000000, -0.0050889800000000, 0.0074342700000000 ] - [ -0.0021008700000000, 0.0014857500000000, 0.0000129900000000 ] - [ -0.0483298900000000, 0.0000000000000000, -0.0091738200000000 ] - [ -0.0120436500000000, 0.0000000000000000, -0.0033607900000000 ] - [ -0.0120307700000000, 0.0000000000000000, 0.0049348700000000 ] - [ -0.0150650500000000, 0.0000000000000000, -0.0002664800000000 ] - [ -0.0151373300000000, 0.0000000000000000, -0.0001853200000000 ] - [ -0.0150654900000000, 0.0000000000000000, -0.0001457100000000 ] - [ 0.0147663100000000, 0.0000000000000000, -0.0003186700000000 ] - [ 0.0149222600000000, 0.0000000000000000, -0.0000020200000000 ] - [ 0.0148864500000000, 0.0000000000000000, -0.0004308400000000 ] - [ 0.0002792300000000, 0.0003710400000000, 0.0000406000000000 ] - [ 0.0000323800000000, 0.0001571700000000, 0.0001172600000000 ] - [ 0.0000396300000000, 0.0001728700000000, 0.0000276500000000 ] - [ -0.0007794600000000, -0.0016322400000000, 0.0000151900000000 ] - [ -0.0001099700000000, -0.0003884000000000, 0.0000567300000000 ] - [ -0.0008401400000000, -0.0016899000000000, 0.0000012200000000 ] - [ 0.0014195400000000, -0.0013345500000000, -0.0001709700000000 ] - [ 0.0010908500000000, -0.0009038100000000, -0.0001723800000000 ] - [ 0.0011184500000000, -0.0009283100000000, -0.0000987500000000 ] - [ 0.0022013000000000, -0.0063278600000000, 0.0063861200000000 ] - [ 0.0015889300000000, -0.0050821100000000, -0.0053875100000000 ] - [ -0.0007587900000000, 0.0004529200000000, -0.0000959600000000 ] - [ 0.0014195400000000, 0.0013345500000000, -0.0001709700000000 ] - [ 0.0010908500000000, 0.0009038100000000, -0.0001723800000000 ] - [ 0.0011184500000000, 0.0009283100000000, -0.0000987500000000 ] - [ 0.0022013000000000, 0.0063278600000000, 0.0063861200000000 ] - [ 0.0015889300000000, 0.0050821100000000, -0.0053875100000000 ] - [ -0.0007587900000000, -0.0004529200000000, -0.0000959600000000 ] - [ 0.0002792300000000, -0.0003710400000000, 0.0000406000000000 ] - [ 0.0000323800000000, -0.0001571700000000, 0.0001172600000000 ] - [ 0.0000396300000000, -0.0001728700000000, 0.0000276500000000 ] - [ -0.0007794600000000, 0.0016322400000000, 0.0000151900000000 ] - [ -0.0001099700000000, 0.0003884000000000, 0.0000567300000000 ] - [ -0.0008401400000000, 0.0016899000000000, 0.0000012200000000 ] - [ -0.0033355300000000, -0.0005836400000000, 0.0004196700000000 ] - [ -0.0034328500000000, -0.0006056800000000, -0.0003420800000000 ] - [ -0.0036077500000000, -0.0005480300000000, 0.0001332900000000 ] - [ 0.0046027800000000, 0.0003170100000000, -0.0002727600000000 ] - [ 0.0042305200000000, 0.0005343600000000, -0.0008374400000000 ] - [ 0.0043769800000000, 0.0005076600000000, 0.0013284300000000 ] - [ 0.0045445700000000, -0.0008168100000000, 0.0001701300000000 ] - [ 0.0039349500000000, -0.0005814400000000, -0.0000647400000000 ] - [ 0.0044615000000000, -0.0007850400000000, -0.0003566400000000 ] - [ 0.0001450100000000, 0.0004857600000000, 0.0002673100000000 ] - [ -0.0003274300000000, 0.0005597800000000, 0.0002326200000000 ] - [ -0.0002872400000000, 0.0005393000000000, 0.0002704900000000 ] - [ 0.0045445700000000, 0.0008168100000000, 0.0001701300000000 ] - [ 0.0039349500000000, 0.0005814400000000, -0.0000647400000000 ] - [ 0.0044615000000000, 0.0007850400000000, -0.0003566400000000 ] - [ -0.0028396600000000, -0.0000907300000000, -0.0000567200000000 ] - [ -0.0031805900000000, -0.0003635800000000, 0.0014679200000000 ] - [ -0.0031860300000000, -0.0003843300000000, -0.0016369200000000 ] - [ -0.0033355300000000, 0.0005836400000000, 0.0004196700000000 ] - [ -0.0034328500000000, 0.0006056800000000, -0.0003420800000000 ] - [ -0.0036077500000000, 0.0005480300000000, 0.0001332900000000 ] - [ 0.0046027800000000, -0.0003170100000000, -0.0002727600000000 ] - [ 0.0042305200000000, -0.0005343600000000, -0.0008374400000000 ] - [ 0.0043769800000000, -0.0005076600000000, 0.0013284300000000 ] - [ -0.0008221800000000, -0.0002130200000000, 0.0003138500000000 ] - [ 0.0000489600000000, 0.0003513900000000, 0.0002602400000000 ] - [ -0.0009797700000000, -0.0003657600000000, 0.0002095800000000 ] - [ 0.0001450100000000, -0.0004857600000000, 0.0002673100000000 ] - [ -0.0003274300000000, -0.0005597800000000, 0.0002326200000000 ] - [ -0.0002872400000000, -0.0005393000000000, 0.0002704900000000 ] - [ -0.0028396600000000, 0.0000907300000000, -0.0000567200000000 ] - [ -0.0031805900000000, 0.0003635800000000, 0.0014679200000000 ] - [ -0.0031860300000000, 0.0003843300000000, -0.0016369200000000 ] - [ 0.0021714500000000, -0.0016135800000000, -0.0001684000000000 ] - [ 0.0018620800000000, -0.0014203800000000, -0.0001694200000000 ] - [ 0.0018680600000000, -0.0014216200000000, -0.0001929100000000 ] - [ 0.0033188800000000, 0.0046327900000000, -0.0084603900000000 ] - [ 0.0038929200000000, 0.0050889800000000, 0.0074342700000000 ] - [ -0.0021008700000000, -0.0014857500000000, 0.0000129900000000 ] - [ 0.0021714500000000, 0.0016135800000000, -0.0001684000000000 ] - [ 0.0018620800000000, 0.0014203800000000, -0.0001694200000000 ] - [ 0.0018680600000000, 0.0014216200000000, -0.0001929100000000 ] - [ -0.0008221800000000, 0.0002130200000000, 0.0003138500000000 ] - [ 0.0000489600000000, -0.0003513900000000, 0.0002602400000000 ] - [ -0.0009797700000000, 0.0003657600000000, 0.0002095800000000 ] - [ 0.0156798800000000, 0.0000000000000000, 0.0001931500000000 ] - [ 0.0156799800000000, 0.0000000000000000, 0.0000566500000000 ] - [ 0.0156383600000000, 0.0000000000000000, 0.0001568700000000 ] - [ 0.0000240700000000, 0.0000000000000000, 0.0000830100000000 ] - [ -0.0000095600000000, 0.0000000000000000, -0.0000536300000000 ] - [ -0.0000411400000000, 0.0000000000000000, 0.0000381900000000 ] - [ 0.0012201200000000, 0.0000000000000000, 0.0000055700000000 ] - [ 0.0001459400000000, 0.0000000000000000, -0.0000021200000000 ] - [ 0.0001422300000000, 0.0000000000000000, 0.0000335000000000 ] - [ 0.0001255900000000, 0.0000000000000000, 0.0001344700000000 ] - [ -0.0000699600000000, 0.0000000000000000, -0.0000179900000000 ] - [ 0.0000588000000000, 0.0000000000000000, -0.0002077000000000 ] - [ 0.0001689300000000, 0.0000000000000000, -0.0000238600000000 ] - [ 0.0001104200000000, 0.0000000000000000, 0.0000055500000000 ] - [ 0.0001182500000000, 0.0000000000000000, -0.0000453200000000 ] - [ 0.0009611700000000, -0.0008724300000000, 0.0002456100000000 ] - [ 0.0018432300000000, 0.0001071000000000, 0.0004733500000000 ] - [ 0.0017143100000000, 0.0001144700000000, -0.0002242800000000 ] - [ 0.0270783600000000, 0.0000000000000000, 0.0186593800000000 ] - [ 0.0208981300000000, 0.0000000000000000, -0.0108738900000000 ] - [ 0.0198509300000000, 0.0000000000000000, -0.0012408700000000 ] - [ 0.0150050900000000, 0.0000000000000000, -0.0000456500000000 ] - [ 0.0157606000000000, 0.0000000000000000, -0.0000572800000000 ] - [ 0.0157513300000000, 0.0000000000000000, -0.0000947000000000 ] - [ -0.0132510700000000, 0.0000000000000000, -0.0001572500000000 ] - [ -0.0152877400000000, 0.0000000000000000, -0.0000619000000000 ] - [ -0.0129848400000000, 0.0000000000000000, 0.0002296300000000 ] - [ -0.0196535300000000, 0.0000000000000000, 0.0001820300000000 ] - [ -0.0190355400000000, 0.0000000000000000, 0.0002082600000000 ] - [ -0.0190832400000000, 0.0000000000000000, 0.0000964200000000 ] - [ -0.0041261200000000, -0.0047428800000000, -0.0002360900000000 ] - [ -0.0034507400000000, -0.0035331000000000, 0.0008092500000000 ] - [ -0.0021628400000000, -0.0005200600000000, -0.0000404600000000 ] - [ -0.0049152300000000, -0.0000949100000000, -0.0001285700000000 ] - [ -0.0042660600000000, 0.0000415200000000, -0.0005429200000000 ] - [ -0.0042761300000000, 0.0000573300000000, 0.0001627400000000 ] - [ -0.0005940700000000, -0.0038596400000000, -0.0012881800000000 ] - [ 0.0039062700000000, -0.0003780800000000, -0.0001511200000000 ] - [ -0.0007461500000000, -0.0039647900000000, 0.0011132600000000 ] - [ -0.0049152300000000, 0.0000949100000000, -0.0001285700000000 ] - [ -0.0042660600000000, -0.0000415200000000, -0.0005429200000000 ] - [ -0.0042761300000000, -0.0000573300000000, 0.0001627400000000 ] - [ -0.0005940700000000, 0.0038596400000000, -0.0012881800000000 ] - [ 0.0039062700000000, 0.0003780800000000, -0.0001511200000000 ] - [ -0.0007461500000000, 0.0039647900000000, 0.0011132600000000 ] - [ 0.0009611700000000, 0.0008724300000000, 0.0002456100000000 ] - [ 0.0018432300000000, -0.0001071000000000, 0.0004733500000000 ] - [ 0.0017143100000000, -0.0001144700000000, -0.0002242800000000 ] - [ -0.0041261200000000, 0.0047428800000000, -0.0002360900000000 ] - [ -0.0034507400000000, 0.0035331000000000, 0.0008092500000000 ] - [ -0.0021628400000000, 0.0005200600000000, -0.0000404600000000 ]- atom: 4 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0054779100000000, 0.0065017900000000, 0.0079501400000000 ] - [ -0.0060086200000000, 0.0069182900000000, -0.0077680900000000 ] - [ -0.0000849000000000, 0.0004538200000000, -0.0004450100000000 ] - [ 0.0170072100000000, 0.0000000000000000, 0.0086291300000000 ] - [ -0.0188461900000000, 0.0000000000000000, 0.0034559900000000 ] - [ -0.0188338900000000, 0.0000000000000000, -0.0042652600000000 ] - [ -0.0157143500000000, 0.0000000000000000, -0.0000809500000000 ] - [ -0.0156431700000000, 0.0000000000000000, -0.0001596900000000 ] - [ -0.0157141400000000, 0.0000000000000000, -0.0002032600000000 ] - [ 0.0160118400000000, 0.0000000000000000, -0.0000346200000000 ] - [ 0.0158555300000000, 0.0000000000000000, -0.0003368700000000 ] - [ 0.0158913300000000, 0.0000000000000000, 0.0000790400000000 ] - [ -0.0013594300000000, -0.0010779100000000, 0.0001651900000000 ] - [ -0.0011139600000000, -0.0008646600000000, 0.0000893800000000 ] - [ -0.0011206900000000, -0.0008797200000000, 0.0001783400000000 ] - [ 0.0018560000000000, 0.0023322400000000, 0.0001895600000000 ] - [ 0.0011914800000000, 0.0011026700000000, 0.0001490700000000 ] - [ 0.0019169000000000, 0.0023941900000000, 0.0002049000000000 ] - [ -0.0003391000000000, 0.0006280300000000, -0.0000359000000000 ] - [ -0.0000091200000000, 0.0001951900000000, -0.0000328500000000 ] - [ -0.0000370300000000, 0.0002198000000000, -0.0001073400000000 ] - [ -0.0032533200000000, 0.0070373300000000, -0.0066553500000000 ] - [ -0.0026825600000000, 0.0058673300000000, 0.0052717300000000 ] - [ -0.0002900600000000, 0.0002093100000000, -0.0001039900000000 ] - [ -0.0003391000000000, -0.0006280300000000, -0.0000359000000000 ] - [ -0.0000091200000000, -0.0001951900000000, -0.0000328500000000 ] - [ -0.0000370300000000, -0.0002198000000000, -0.0001073400000000 ] - [ -0.0032533200000000, -0.0070373300000000, -0.0066553500000000 ] - [ -0.0026825600000000, -0.0058673300000000, 0.0052717300000000 ] - [ -0.0002900600000000, -0.0002093100000000, -0.0001039900000000 ] - [ -0.0013594300000000, 0.0010779100000000, 0.0001651900000000 ] - [ -0.0011139600000000, 0.0008646600000000, 0.0000893800000000 ] - [ -0.0011206900000000, 0.0008797200000000, 0.0001783400000000 ] - [ 0.0018560000000000, -0.0023322400000000, 0.0001895600000000 ] - [ 0.0011914800000000, -0.0011026700000000, 0.0001490700000000 ] - [ 0.0019169000000000, -0.0023941900000000, 0.0002049000000000 ] - [ -0.0041970000000000, -0.0004884600000000, -0.0002745100000000 ] - [ -0.0041018900000000, -0.0004669800000000, 0.0004948200000000 ] - [ -0.0039219500000000, -0.0005239300000000, 0.0000190200000000 ] - [ 0.0029389800000000, 0.0007476500000000, 0.0004110300000000 ] - [ 0.0033010300000000, 0.0005358300000000, 0.0010115800000000 ] - [ 0.0031563000000000, 0.0005607500000000, -0.0011889100000000 ] - [ 0.0029925400000000, -0.0002578400000000, -0.0003178500000000 ] - [ 0.0035911600000000, -0.0004895700000000, -0.0000834500000000 ] - [ 0.0030697900000000, -0.0002880200000000, 0.0002021900000000 ] - [ -0.0022861000000000, 0.0014182700000000, 0.0001630200000000 ] - [ -0.0018099000000000, 0.0013426000000000, 0.0001979600000000 ] - [ -0.0018494200000000, 0.0013628600000000, 0.0001605600000000 ] - [ 0.0029925400000000, 0.0002578400000000, -0.0003178500000000 ] - [ 0.0035911600000000, 0.0004895700000000, -0.0000834500000000 ] - [ 0.0030697900000000, 0.0002880200000000, 0.0002021900000000 ] - [ -0.0047001600000000, -0.0009854600000000, -0.0001016800000000 ] - [ -0.0043507500000000, -0.0007095200000000, -0.0015929400000000 ] - [ -0.0043479000000000, -0.0006898400000000, 0.0014702300000000 ] - [ -0.0041970000000000, 0.0004884600000000, -0.0002745100000000 ] - [ -0.0041018900000000, 0.0004669800000000, 0.0004948200000000 ] - [ -0.0039219500000000, 0.0005239300000000, 0.0000190200000000 ] - [ 0.0029389800000000, -0.0007476500000000, 0.0004110300000000 ] - [ 0.0033010300000000, -0.0005358300000000, 0.0010115800000000 ] - [ 0.0031563000000000, -0.0005607500000000, -0.0011889100000000 ] - [ 0.0029625700000000, 0.0021175900000000, 0.0001167900000000 ] - [ 0.0020866100000000, 0.0015484900000000, 0.0001708500000000 ] - [ 0.0031182000000000, 0.0022680700000000, 0.0002232600000000 ] - [ -0.0022861000000000, -0.0014182700000000, 0.0001630200000000 ] - [ -0.0018099000000000, -0.0013426000000000, 0.0001979600000000 ] - [ -0.0018494200000000, -0.0013628600000000, 0.0001605600000000 ] - [ -0.0047001600000000, 0.0009854600000000, -0.0001016800000000 ] - [ -0.0043507500000000, 0.0007095200000000, -0.0015929400000000 ] - [ -0.0043479000000000, 0.0006898400000000, 0.0014702300000000 ] - [ -0.0000312700000000, -0.0002900900000000, -0.0002629800000000 ] - [ 0.0002772300000000, -0.0004844600000000, -0.0002606300000000 ] - [ 0.0002720900000000, -0.0004838100000000, -0.0002376300000000 ] - [ -0.0054779100000000, -0.0065017900000000, 0.0079501400000000 ] - [ -0.0060086200000000, -0.0069182900000000, -0.0077680900000000 ] - [ -0.0000849000000000, -0.0004538200000000, -0.0004450100000000 ] - [ -0.0000312700000000, 0.0002900900000000, -0.0002629800000000 ] - [ 0.0002772300000000, 0.0004844600000000, -0.0002606300000000 ] - [ 0.0002720900000000, 0.0004838100000000, -0.0002376300000000 ] - [ 0.0029625700000000, -0.0021175900000000, 0.0001167900000000 ] - [ 0.0020866100000000, -0.0015484900000000, 0.0001708500000000 ] - [ 0.0031182000000000, -0.0022680700000000, 0.0002232600000000 ] - [ 0.0150995300000000, 0.0000000000000000, 0.0001502300000000 ] - [ 0.0150996300000000, 0.0000000000000000, 0.0002921100000000 ] - [ 0.0151402100000000, 0.0000000000000000, 0.0001937800000000 ] - [ -0.0000209800000000, 0.0000000000000000, -0.0000434400000000 ] - [ 0.0000122000000000, 0.0000000000000000, 0.0000971100000000 ] - [ 0.0000456600000000, 0.0000000000000000, 0.0000039700000000 ] - [ -0.0012372300000000, 0.0000000000000000, 0.0000350400000000 ] - [ -0.0001500600000000, 0.0000000000000000, 0.0000422200000000 ] - [ -0.0001464400000000, 0.0000000000000000, 0.0000078400000000 ] - [ -0.0001300900000000, 0.0000000000000000, -0.0001740900000000 ] - [ 0.0000623100000000, 0.0000000000000000, -0.0000226700000000 ] - [ -0.0000642400000000, 0.0000000000000000, 0.0001644900000000 ] - [ -0.0001633000000000, 0.0000000000000000, -0.0000174500000000 ] - [ -0.0001080900000000, 0.0000000000000000, -0.0000459500000000 ] - [ -0.0001157200000000, 0.0000000000000000, 0.0000048400000000 ] - [ 0.0050373400000000, 0.0013063800000000, 0.0000932000000000 ] - [ 0.0041526900000000, 0.0003170300000000, -0.0001438500000000 ] - [ 0.0042765900000000, 0.0003095800000000, 0.0005633500000000 ] - [ 0.0082260200000000, 0.0000000000000000, -0.0168921400000000 ] - [ 0.0143297100000000, 0.0000000000000000, 0.0103071200000000 ] - [ 0.0150610000000000, 0.0000000000000000, 0.0013993900000000 ] - [ 0.0198787600000000, 0.0000000000000000, -0.0001655100000000 ] - [ 0.0191227600000000, 0.0000000000000000, -0.0001568300000000 ] - [ 0.0191322000000000, 0.0000000000000000, -0.0001145000000000 ] - [ -0.0216302400000000, 0.0000000000000000, -0.0000593200000000 ] - [ -0.0195973500000000, 0.0000000000000000, -0.0001516000000000 ] - [ -0.0218949000000000, 0.0000000000000000, -0.0004311600000000 ] - [ -0.0152338500000000, 0.0000000000000000, 0.0000296200000000 ] - [ -0.0158506800000000, 0.0000000000000000, 0.0000002700000000 ] - [ -0.0158039500000000, 0.0000000000000000, 0.0001168100000000 ] - [ -0.0018805900000000, 0.0042982600000000, 0.0005803300000000 ] - [ -0.0025331800000000, 0.0031239900000000, -0.0004785700000000 ] - [ -0.0038580600000000, 0.0000610400000000, 0.0003666700000000 ] - [ -0.0010866800000000, 0.0005201400000000, -0.0002033600000000 ] - [ -0.0017339700000000, 0.0003849200000000, 0.0001999100000000 ] - [ -0.0017221000000000, 0.0003699200000000, -0.0004950200000000 ] - [ 0.0065722100000000, 0.0034190400000000, 0.0009472400000000 ] - [ 0.0021282100000000, -0.0000259000000000, -0.0001905400000000 ] - [ 0.0067511700000000, 0.0035395500000000, -0.0014366500000000 ] - [ -0.0010866800000000, -0.0005201400000000, -0.0002033600000000 ] - [ -0.0017339700000000, -0.0003849200000000, 0.0001999100000000 ] - [ -0.0017221000000000, -0.0003699200000000, -0.0004950200000000 ] - [ 0.0065722100000000, -0.0034190400000000, 0.0009472400000000 ] - [ 0.0021282100000000, 0.0000259000000000, -0.0001905400000000 ] - [ 0.0067511700000000, -0.0035395500000000, -0.0014366500000000 ] - [ 0.0050373400000000, -0.0013063800000000, 0.0000932000000000 ] - [ 0.0041526900000000, -0.0003170300000000, -0.0001438500000000 ] - [ 0.0042765900000000, -0.0003095800000000, 0.0005633500000000 ] - [ -0.0018805900000000, -0.0042982600000000, 0.0005803300000000 ] - [ -0.0025331800000000, -0.0031239900000000, -0.0004785700000000 ] - [ -0.0038580600000000, -0.0000610400000000, 0.0003666700000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0087146400000000, 0.0043926400000000, 0.0068090900000000 ] - [ -0.0087103500000000, 0.0046332100000000, -0.0071670900000000 ] - [ -0.0013944300000000, 0.0009439700000000, -0.0004205800000000 ] - [ -0.0154769400000000, -0.0283030600000000, -0.0002728300000000 ] - [ -0.0154218700000000, 0.0048321500000000, 0.0000391700000000 ] - [ -0.0154180700000000, 0.0048330200000000, 0.0003537300000000 ] - [ -0.0153896900000000, -0.0001064300000000, -0.0001746200000000 ] - [ -0.0153902800000000, -0.0000958300000000, -0.0001729300000000 ] - [ -0.0153898600000000, -0.0001100000000000, -0.0001745600000000 ] - [ 0.0153898400000000, 0.0006742000000000, -0.0001773500000000 ] - [ 0.0153893200000000, 0.0003892800000000, -0.0001689000000000 ] - [ 0.0153893200000000, 0.0004183300000000, -0.0001766700000000 ] - [ -0.0008145100000000, -0.0007216700000000, 0.0001255000000000 ] - [ -0.0007379200000000, -0.0006280300000000, 0.0001031600000000 ] - [ -0.0007411600000000, -0.0006329700000000, 0.0001349000000000 ] - [ 0.0012960300000000, 0.0021557300000000, 0.0000866600000000 ] - [ 0.0008952500000000, 0.0009972800000000, 0.0001324900000000 ] - [ 0.0013295300000000, 0.0022332500000000, 0.0003335600000000 ] - [ 0.0002718200000000, -0.0000133400000000, -0.0000795400000000 ] - [ 0.0003410000000000, -0.0000862100000000, -0.0000696900000000 ] - [ 0.0003123600000000, -0.0000653700000000, -0.0001048900000000 ] - [ -0.0057148900000000, 0.0050789700000000, -0.0077799900000000 ] - [ -0.0055706600000000, 0.0045039300000000, 0.0058877500000000 ] - [ -0.0001313500000000, -0.0003755100000000, -0.0000202300000000 ] - [ 0.0008097600000000, 0.0006932700000000, -0.0001272800000000 ] - [ 0.0007404200000000, 0.0006206400000000, -0.0001354900000000 ] - [ 0.0007688100000000, 0.0006413600000000, -0.0001010800000000 ] - [ 0.0046046800000000, 0.0044030400000000, 0.0074999800000000 ] - [ 0.0044122600000000, 0.0037640700000000, -0.0059925700000000 ] - [ -0.0009127100000000, -0.0010269800000000, -0.0001783700000000 ] - [ -0.0002648200000000, -0.0000174900000000, 0.0000800600000000 ] - [ -0.0003435600000000, 0.0000776800000000, 0.0001033400000000 ] - [ -0.0003399500000000, 0.0000724800000000, 0.0000713400000000 ] - [ -0.0002174500000000, 0.0014543400000000, 0.0001208800000000 ] - [ 0.0001870300000000, 0.0002836700000000, 0.0000734500000000 ] - [ -0.0002499400000000, 0.0015263700000000, -0.0001304900000000 ] - [ -0.0042562500000000, -0.0006477600000000, -0.0000321300000000 ] - [ -0.0042280000000000, -0.0006413200000000, 0.0002279800000000 ] - [ -0.0039130400000000, -0.0006121900000000, 0.0000441600000000 ] - [ 0.0026198400000000, 0.0005219000000000, 0.0001994700000000 ] - [ 0.0031902600000000, 0.0006754600000000, 0.0013062700000000 ] - [ 0.0030411400000000, 0.0007229200000000, -0.0015772300000000 ] - [ 0.0031736400000000, -0.0003545100000000, -0.0002447900000000 ] - [ 0.0035831300000000, -0.0004493700000000, -0.0000695200000000 ] - [ 0.0031839400000000, -0.0003437500000000, 0.0000935800000000 ] - [ -0.0007342800000000, 0.0006159200000000, 0.0002271800000000 ] - [ -0.0008309200000000, 0.0007279800000000, 0.0002179800000000 ] - [ -0.0007954800000000, 0.0007031000000000, 0.0002350900000000 ] - [ 0.0043638700000000, 0.0007190800000000, 0.0000961300000000 ] - [ 0.0039433000000000, 0.0006216400000000, -0.0000781200000000 ] - [ 0.0043459500000000, 0.0007280500000000, -0.0002472500000000 ] - [ -0.0028010800000000, -0.0004687900000000, 0.0000096200000000 ] - [ -0.0031782100000000, -0.0005494000000000, 0.0011610800000000 ] - [ -0.0031757500000000, -0.0005282500000000, -0.0013379300000000 ] - [ -0.0032774600000000, 0.0004254000000000, 0.0001792200000000 ] - [ -0.0033089100000000, 0.0004326300000000, -0.0000772400000000 ] - [ -0.0036168900000000, 0.0004601800000000, 0.0001081600000000 ] - [ 0.0049211100000000, -0.0005391900000000, -0.0000615800000000 ] - [ 0.0043408900000000, -0.0003959900000000, -0.0011261500000000 ] - [ 0.0044920100000000, -0.0003464900000000, 0.0017105600000000 ] - [ 0.0019278500000000, 0.0021509400000000, 0.0003683200000000 ] - [ 0.0014206400000000, 0.0013251500000000, 0.0001988200000000 ] - [ 0.0020089600000000, 0.0021762700000000, -0.0000810400000000 ] - [ -0.0014069900000000, -0.0012897100000000, 0.0002032700000000 ] - [ -0.0013085200000000, -0.0011759500000000, 0.0002125800000000 ] - [ -0.0013438300000000, -0.0012008500000000, 0.0001961800000000 ] - [ -0.0047352000000000, 0.0006114200000000, -0.0001711200000000 ] - [ -0.0043532300000000, 0.0005245700000000, -0.0012842100000000 ] - [ -0.0043585900000000, 0.0005464200000000, 0.0011733500000000 ] - [ 0.0006601700000000, -0.0005401100000000, -0.0002318800000000 ] - [ 0.0007902800000000, -0.0006781600000000, -0.0002366500000000 ] - [ 0.0007862700000000, -0.0006727500000000, -0.0002155500000000 ] - [ 0.0065901900000000, 0.0024581600000000, -0.0073063400000000 ] - [ 0.0066589000000000, 0.0027367600000000, 0.0068301200000000 ] - [ -0.0007899200000000, -0.0009967600000000, -0.0000081200000000 ] - [ 0.0014814900000000, 0.0013649500000000, -0.0001995000000000 ] - [ 0.0013508900000000, 0.0012277000000000, -0.0001935200000000 ] - [ 0.0013552200000000, 0.0012334200000000, -0.0002149700000000 ] - [ 0.0002148900000000, 0.0002445500000000, 0.0000663100000000 ] - [ 0.0007169500000000, -0.0005755800000000, 0.0002326200000000 ] - [ 0.0001316300000000, 0.0002732500000000, 0.0005096300000000 ] - [ 0.0153897900000000, 0.0001141200000000, 0.0001726900000000 ] - [ 0.0153898800000000, 0.0001141500000000, 0.0001743300000000 ] - [ 0.0153894500000000, 0.0001036300000000, 0.0001757500000000 ] - [ 0.0000026500000000, 0.0010162800000000, 0.0000198300000000 ] - [ 0.0000021700000000, 0.0008782800000000, 0.0000214800000000 ] - [ 0.0000036300000000, 0.0005033900000000, 0.0000210500000000 ] - [ -0.0000013300000000, -0.0005033200000000, 0.0000203200000000 ] - [ -0.0000028200000000, -0.0002453400000000, 0.0000198100000000 ] - [ -0.0000031700000000, -0.0002864900000000, 0.0000206200000000 ] - [ -0.0000035300000000, -0.0009492500000000, -0.0000208000000000 ] - [ -0.0000050700000000, -0.0004678600000000, -0.0000200900000000 ] - [ -0.0000038500000000, -0.0009732900000000, -0.0000204300000000 ] - [ 0.0000041400000000, 0.0003594600000000, -0.0000206300000000 ] - [ 0.0000023800000000, 0.0002531300000000, -0.0000201400000000 ] - [ 0.0000026000000000, 0.0002560000000000, -0.0000200800000000 ] - [ 0.0018995500000000, 0.0007409900000000, 0.0001901900000000 ] - [ 0.0023759100000000, 0.0004857200000000, 0.0003559400000000 ] - [ 0.0022253800000000, 0.0005513200000000, -0.0000497300000000 ] - [ 0.0175266500000000, 0.0073830200000000, 0.0009218000000000 ] - [ 0.0175083000000000, 0.0007065200000000, -0.0003322500000000 ] - [ 0.0174517000000000, 0.0007804800000000, 0.0000655600000000 ] - [ 0.0174407600000000, 0.0008027000000000, -0.0001053200000000 ] - [ 0.0174419500000000, 0.0006009600000000, -0.0001063700000000 ] - [ 0.0174422300000000, 0.0006280700000000, -0.0001047800000000 ] - [ -0.0174431200000000, -0.0039228200000000, -0.0001097700000000 ] - [ -0.0174425100000000, -0.0014099200000000, -0.0001072600000000 ] - [ -0.0174423300000000, -0.0039826300000000, -0.0000987300000000 ] - [ -0.0174433500000000, -0.0008579300000000, 0.0001056700000000 ] - [ -0.0174421600000000, -0.0006308200000000, 0.0001045200000000 ] - [ -0.0174423100000000, -0.0006730800000000, 0.0001059600000000 ] - [ -0.0058186800000000, -0.0052996700000000, -0.0007740900000000 ] - [ -0.0053563300000000, -0.0043737000000000, 0.0010908400000000 ] - [ -0.0026029400000000, -0.0003962600000000, -0.0000571600000000 ] - [ -0.0040651600000000, -0.0003419000000000, -0.0001694900000000 ] - [ -0.0036635100000000, -0.0001300500000000, -0.0003849700000000 ] - [ -0.0036744000000000, -0.0001324700000000, 0.0000487900000000 ] - [ -0.0014122800000000, -0.0023815900000000, -0.0010481900000000 ] - [ 0.0028032000000000, -0.0001411900000000, -0.0001249100000000 ] - [ -0.0017958900000000, -0.0027131300000000, 0.0007699100000000 ] - [ -0.0019366100000000, -0.0007669800000000, -0.0001617600000000 ] - [ -0.0023367100000000, -0.0005559900000000, 0.0000422100000000 ] - [ -0.0023230600000000, -0.0005590300000000, -0.0003821600000000 ] - [ 0.0073850800000000, -0.0019498400000000, 0.0007065700000000 ] - [ 0.0032306500000000, 0.0002598400000000, -0.0002184100000000 ] - [ 0.0078050700000000, -0.0022995900000000, -0.0010919600000000 ] - [ 0.0040972200000000, 0.0003154900000000, 0.0001492500000000 ] - [ 0.0036223500000000, 0.0000633200000000, -0.0000261200000000 ] - [ 0.0037684600000000, 0.0001288700000000, 0.0003882100000000 ] - [ -0.0001816900000000, -0.0048595200000000, 0.0011243500000000 ] - [ -0.0006194000000000, -0.0039704700000000, -0.0007661400000000 ] - [ -0.0034222000000000, 0.0000674800000000, 0.0003833300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0282490800000000, 0.0214854200000000, 0.0061145600000000 ] - [ 0.0234279300000000, -0.0173931300000000, 0.0097208500000000 ] - [ -0.0019077400000000, 0.0015701900000000, 0.0033165300000000 ] - [ -0.0235566400000000, 0.0000000000000000, -0.3596951800000000 ] - [ -0.0107194900000000, 0.0000000000000000, 0.0818927200000000 ] - [ -0.0187110500000000, 0.0000000000000000, 0.0808839100000000 ] - [ -0.0152967500000000, 0.0000000000000000, -0.0006734400000000 ] - [ -0.0153776300000000, 0.0000000000000000, 0.0011148500000000 ] - [ -0.0154189000000000, 0.0000000000000000, -0.0009724000000000 ] - [ 0.0152474400000000, 0.0000000000000000, -0.0062503500000000 ] - [ 0.0155594600000000, 0.0000000000000000, 0.0031276600000000 ] - [ 0.0151349900000000, 0.0000000000000000, 0.0026215800000000 ] - [ -0.0004709900000000, -0.0002426800000000, -0.0003931100000000 ] - [ -0.0002581600000000, -0.0001715200000000, 0.0003916100000000 ] - [ -0.0007264200000000, -0.0004779100000000, 0.0003031900000000 ] - [ -0.0001087300000000, -0.0028378100000000, -0.0002361800000000 ] - [ 0.0004950400000000, 0.0003624300000000, 0.0008716300000000 ] - [ 0.0007842200000000, 0.0029778900000000, -0.0004267800000000 ] - [ 0.0005712400000000, -0.0003392100000000, -0.0006330500000000 ] - [ 0.0001144000000000, 0.0000877800000000, 0.0001542300000000 ] - [ 0.0011285600000000, -0.0008597500000000, 0.0001621300000000 ] - [ 0.0246345800000000, -0.0349446400000000, 0.0051197100000000 ] - [ -0.0215356200000000, 0.0295511500000000, 0.0084525300000000 ] - [ 0.0005134600000000, -0.0011684500000000, 0.0033664300000000 ] - [ 0.0005712400000000, 0.0003392100000000, -0.0006330500000000 ] - [ 0.0001144000000000, -0.0000877800000000, 0.0001542300000000 ] - [ 0.0011285600000000, 0.0008597500000000, 0.0001621300000000 ] - [ 0.0246345800000000, 0.0349446400000000, 0.0051197100000000 ] - [ -0.0215356200000000, -0.0295511500000000, 0.0084525300000000 ] - [ 0.0005134600000000, 0.0011684500000000, 0.0033664300000000 ] - [ -0.0004709900000000, 0.0002426800000000, -0.0003931100000000 ] - [ -0.0002581600000000, 0.0001715200000000, 0.0003916100000000 ] - [ -0.0007264200000000, 0.0004779100000000, 0.0003031900000000 ] - [ -0.0001087300000000, 0.0028378100000000, -0.0002361800000000 ] - [ 0.0004950400000000, -0.0003624300000000, 0.0008716300000000 ] - [ 0.0007842200000000, -0.0029778900000000, -0.0004267800000000 ] - [ -0.0015402200000000, -0.0000405200000000, -0.0013213700000000 ] - [ -0.0058140300000000, -0.0009330800000000, -0.0009605200000000 ] - [ -0.0036527100000000, -0.0004925500000000, 0.0025017000000000 ] - [ 0.0034515100000000, 0.0006333200000000, -0.0121776800000000 ] - [ 0.0023900600000000, 0.0011603500000000, 0.0067182700000000 ] - [ 0.0054938600000000, -0.0000219100000000, 0.0065345200000000 ] - [ 0.0065233700000000, -0.0014168700000000, -0.0009108300000000 ] - [ 0.0037354600000000, -0.0005319800000000, 0.0019350200000000 ] - [ 0.0011037000000000, 0.0003067500000000, -0.0011020400000000 ] - [ -0.0011129500000000, 0.0009142200000000, -0.0000052000000000 ] - [ -0.0016179700000000, 0.0011626800000000, 0.0003462000000000 ] - [ -0.0002535800000000, 0.0005771300000000, 0.0003159500000000 ] - [ 0.0065233700000000, 0.0014168700000000, -0.0009108300000000 ] - [ 0.0037354600000000, 0.0005319800000000, 0.0019350200000000 ] - [ 0.0011037000000000, -0.0003067500000000, -0.0011020400000000 ] - [ -0.0033457800000000, -0.0002153100000000, -0.0100678600000000 ] - [ -0.0027321100000000, -0.0001978800000000, 0.0053667300000000 ] - [ -0.0045495700000000, -0.0007607400000000, 0.0048662300000000 ] - [ -0.0015402200000000, 0.0000405200000000, -0.0013213700000000 ] - [ -0.0058140300000000, 0.0009330800000000, -0.0009605200000000 ] - [ -0.0036527100000000, 0.0004925500000000, 0.0025017000000000 ] - [ 0.0034515100000000, -0.0006333200000000, -0.0121776800000000 ] - [ 0.0023900600000000, -0.0011603500000000, 0.0067182700000000 ] - [ 0.0054938600000000, 0.0000219100000000, 0.0065345200000000 ] - [ 0.0028522600000000, 0.0031121800000000, 0.0000328100000000 ] - [ 0.0007527400000000, 0.0007448800000000, 0.0009532300000000 ] - [ -0.0013772500000000, -0.0015570600000000, -0.0002670500000000 ] - [ -0.0011129500000000, -0.0009142200000000, -0.0000052000000000 ] - [ -0.0016179700000000, -0.0011626800000000, 0.0003462000000000 ] - [ -0.0002535800000000, -0.0005771300000000, 0.0003159500000000 ] - [ -0.0033457800000000, 0.0002153100000000, -0.0100678600000000 ] - [ -0.0027321100000000, 0.0001978800000000, 0.0053667300000000 ] - [ -0.0045495700000000, 0.0007607400000000, 0.0048662300000000 ] - [ 0.0011801900000000, -0.0010196800000000, -0.0004672200000000 ] - [ 0.0015798400000000, -0.0013105600000000, -0.0000969300000000 ] - [ 0.0007640100000000, -0.0007250800000000, -0.0000603100000000 ] - [ -0.0282490800000000, -0.0214854200000000, 0.0061145600000000 ] - [ 0.0234279300000000, 0.0173931300000000, 0.0097208500000000 ] - [ -0.0019077400000000, -0.0015701900000000, 0.0033165300000000 ] - [ 0.0011801900000000, 0.0010196800000000, -0.0004672200000000 ] - [ 0.0015798400000000, 0.0013105600000000, -0.0000969300000000 ] - [ 0.0007640100000000, 0.0007250800000000, -0.0000603100000000 ] - [ 0.0028522600000000, -0.0031121800000000, 0.0000328100000000 ] - [ 0.0007527400000000, -0.0007448800000000, 0.0009532300000000 ] - [ -0.0013772500000000, 0.0015570600000000, -0.0002670500000000 ] - [ 0.0155072500000000, 0.0000000000000000, -0.0004763500000000 ] - [ 0.0153679300000000, 0.0000000000000000, -0.0004871900000000 ] - [ 0.0154071800000000, 0.0000000000000000, 0.0014884100000000 ] - [ 0.0011464300000000, 0.0000000000000000, -0.0003960300000000 ] - [ -0.0010645100000000, 0.0000000000000000, -0.0002037100000000 ] - [ 0.0000287600000000, 0.0000000000000000, 0.0008531100000000 ] - [ -0.0001914700000000, 0.0000000000000000, -0.0003390700000000 ] - [ -0.0004604500000000, 0.0000000000000000, 0.0001892000000000 ] - [ 0.0005147200000000, 0.0000000000000000, 0.0001935600000000 ] - [ 0.0012817500000000, 0.0000000000000000, -0.0002548100000000 ] - [ -0.0000635200000000, 0.0000000000000000, 0.0004706000000000 ] - [ -0.0014685500000000, 0.0000000000000000, -0.0002795600000000 ] - [ 0.0000405800000000, 0.0000000000000000, -0.0002740900000000 ] - [ 0.0001146100000000, 0.0000000000000000, 0.0001086600000000 ] - [ -0.0001101100000000, 0.0000000000000000, 0.0001053600000000 ] - [ 0.0030725100000000, 0.0005499700000000, 0.0038552800000000 ] - [ 0.0048198200000000, 0.0006265700000000, -0.0017792900000000 ] - [ 0.0006398200000000, -0.0000046600000000, -0.0015693900000000 ] - [ 0.0312772300000000, 0.0000000000000000, 0.1906456200000000 ] - [ 0.0081614900000000, 0.0000000000000000, -0.0080925000000000 ] - [ 0.0170698700000000, 0.0000000000000000, -0.0606347700000000 ] - [ 0.0173852100000000, 0.0000000000000000, 0.0013317200000000 ] - [ 0.0173256300000000, 0.0000000000000000, -0.0009607300000000 ] - [ 0.0171482900000000, 0.0000000000000000, -0.0006721700000000 ] - [ -0.0180316700000000, 0.0000000000000000, 0.0022601700000000 ] - [ -0.0171191400000000, 0.0000000000000000, -0.0053756800000000 ] - [ -0.0154801200000000, 0.0000000000000000, 0.0027735500000000 ] - [ -0.0176310900000000, 0.0000000000000000, 0.0014878900000000 ] - [ -0.0173008800000000, 0.0000000000000000, -0.0005560300000000 ] - [ -0.0180519900000000, 0.0000000000000000, -0.0006028700000000 ] - [ -0.0152085200000000, -0.0190291100000000, 0.0042667800000000 ] - [ 0.0089494400000000, 0.0167066500000000, 0.0040432900000000 ] - [ -0.0032351500000000, -0.0009011100000000, -0.0080994200000000 ] - [ -0.0032302300000000, 0.0001982800000000, 0.0033521800000000 ] - [ -0.0044220400000000, -0.0002596700000000, -0.0020098700000000 ] - [ -0.0018819300000000, 0.0005758200000000, -0.0018709500000000 ] - [ -0.0133949000000000, -0.0103541900000000, 0.0023198800000000 ] - [ 0.0033244500000000, -0.0000567000000000, -0.0063235100000000 ] - [ 0.0194907900000000, 0.0094010900000000, 0.0032213100000000 ] - [ -0.0032302300000000, -0.0001982800000000, 0.0033521800000000 ] - [ -0.0044220400000000, 0.0002596700000000, -0.0020098700000000 ] - [ -0.0018819300000000, -0.0005758200000000, -0.0018709500000000 ] - [ -0.0133949000000000, 0.0103541900000000, 0.0023198800000000 ] - [ 0.0033244500000000, 0.0000567000000000, -0.0063235100000000 ] - [ 0.0194907900000000, -0.0094010900000000, 0.0032213100000000 ] - [ 0.0030725100000000, -0.0005499700000000, 0.0038552800000000 ] - [ 0.0048198200000000, -0.0006265700000000, -0.0017792900000000 ] - [ 0.0006398200000000, 0.0000046600000000, -0.0015693900000000 ] - [ -0.0152085200000000, 0.0190291100000000, 0.0042667800000000 ] - [ 0.0089494400000000, -0.0167066500000000, 0.0040432900000000 ] - [ -0.0032351500000000, 0.0009011100000000, -0.0080994200000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0259812800000000, -0.0195168400000000, -0.0063560600000000 ] - [ -0.0251877700000000, 0.0189969100000000, -0.0100934900000000 ] - [ -0.0001176100000000, 0.0002542100000000, -0.0037021200000000 ] - [ -0.0057323400000000, 0.0000000000000000, 0.3725481700000000 ] - [ -0.0199214000000000, 0.0000000000000000, -0.0798909200000000 ] - [ -0.0118923500000000, 0.0000000000000000, -0.0808968700000000 ] - [ -0.0154818600000000, 0.0000000000000000, 0.0003057000000000 ] - [ -0.0154031600000000, 0.0000000000000000, -0.0014448200000000 ] - [ -0.0153616100000000, 0.0000000000000000, 0.0006268100000000 ] - [ 0.0155315900000000, 0.0000000000000000, 0.0058203900000000 ] - [ 0.0152246600000000, 0.0000000000000000, -0.0034674400000000 ] - [ 0.0156451300000000, 0.0000000000000000, -0.0029059900000000 ] - [ -0.0006088000000000, -0.0004591800000000, 0.0005921700000000 ] - [ -0.0008207300000000, -0.0005311700000000, -0.0001856600000000 ] - [ -0.0003576600000000, -0.0002284500000000, -0.0000910800000000 ] - [ 0.0011849100000000, 0.0035185600000000, 0.0004295400000000 ] - [ 0.0005870400000000, 0.0003306100000000, -0.0006565800000000 ] - [ 0.0003069700000000, -0.0022240900000000, 0.0006333000000000 ] - [ 0.0005185600000000, -0.0003806500000000, 0.0004202500000000 ] - [ 0.0009577600000000, -0.0007851100000000, -0.0003602000000000 ] - [ -0.0000452100000000, 0.0001523800000000, -0.0003619200000000 ] - [ -0.0256771900000000, 0.0355330900000000, -0.0051116000000000 ] - [ 0.0200733300000000, -0.0283387900000000, -0.0086316100000000 ] - [ -0.0016832300000000, 0.0020021700000000, -0.0035292300000000 ] - [ 0.0005185600000000, 0.0003806500000000, 0.0004202500000000 ] - [ 0.0009577600000000, 0.0007851100000000, -0.0003602000000000 ] - [ -0.0000452100000000, -0.0001523800000000, -0.0003619200000000 ] - [ -0.0256771900000000, -0.0355330900000000, -0.0051116000000000 ] - [ 0.0200733300000000, 0.0283387900000000, -0.0086316100000000 ] - [ -0.0016832300000000, -0.0020021700000000, -0.0035292300000000 ] - [ -0.0006088000000000, 0.0004591800000000, 0.0005921700000000 ] - [ -0.0008207300000000, 0.0005311700000000, -0.0001856600000000 ] - [ -0.0003576600000000, 0.0002284500000000, -0.0000910800000000 ] - [ 0.0011849100000000, -0.0035185600000000, 0.0004295400000000 ] - [ 0.0005870400000000, -0.0003306100000000, -0.0006565800000000 ] - [ 0.0003069700000000, 0.0022240900000000, 0.0006333000000000 ] - [ -0.0059682300000000, -0.0010309800000000, 0.0014776000000000 ] - [ -0.0017441200000000, -0.0001498400000000, 0.0010729400000000 ] - [ -0.0038963200000000, -0.0005835500000000, -0.0023209400000000 ] - [ 0.0040998600000000, 0.0004168700000000, 0.0121633000000000 ] - [ 0.0051159700000000, -0.0000870500000000, -0.0065142900000000 ] - [ 0.0020499400000000, 0.0010842300000000, -0.0062563400000000 ] - [ 0.0010405700000000, 0.0003356400000000, 0.0007357600000000 ] - [ 0.0038134600000000, -0.0005465300000000, -0.0020604300000000 ] - [ 0.0063974200000000, -0.0013680400000000, 0.0009554600000000 ] - [ -0.0010148500000000, 0.0009919700000000, 0.0004332500000000 ] - [ -0.0005348900000000, 0.0007475700000000, 0.0000834900000000 ] - [ -0.0018829400000000, 0.0013258500000000, 0.0001180900000000 ] - [ 0.0010405700000000, -0.0003356400000000, 0.0007357600000000 ] - [ 0.0038134600000000, 0.0005465300000000, -0.0020604300000000 ] - [ 0.0063974200000000, 0.0013680400000000, 0.0009554600000000 ] - [ -0.0042108400000000, -0.0008772200000000, 0.0097875900000000 ] - [ -0.0047894100000000, -0.0008760400000000, -0.0054931600000000 ] - [ -0.0029915300000000, -0.0003167700000000, -0.0049000900000000 ] - [ -0.0059682300000000, 0.0010309800000000, 0.0014776000000000 ] - [ -0.0017441200000000, 0.0001498400000000, 0.0010729400000000 ] - [ -0.0038963200000000, 0.0005835500000000, -0.0023209400000000 ] - [ 0.0040998600000000, -0.0004168700000000, 0.0121633000000000 ] - [ 0.0051159700000000, 0.0000870500000000, -0.0065142900000000 ] - [ 0.0020499400000000, -0.0010842300000000, -0.0062563400000000 ] - [ -0.0006671400000000, -0.0011768800000000, 0.0003851800000000 ] - [ 0.0014004600000000, 0.0011743100000000, -0.0005134700000000 ] - [ 0.0035111500000000, 0.0034391700000000, 0.0007018400000000 ] - [ -0.0010148500000000, -0.0009919700000000, 0.0004332500000000 ] - [ -0.0005348900000000, -0.0007475700000000, 0.0000834900000000 ] - [ -0.0018829400000000, -0.0013258500000000, 0.0001180900000000 ] - [ -0.0042108400000000, 0.0008772200000000, 0.0097875900000000 ] - [ -0.0047894100000000, 0.0008760400000000, -0.0054931600000000 ] - [ -0.0029915300000000, 0.0003167700000000, -0.0049000900000000 ] - [ 0.0009561400000000, -0.0008816800000000, 0.0000332400000000 ] - [ 0.0005656300000000, -0.0005991200000000, -0.0003342500000000 ] - [ 0.0013730200000000, -0.0011787500000000, -0.0003676100000000 ] - [ 0.0259812800000000, 0.0195168400000000, -0.0063560600000000 ] - [ -0.0251877700000000, -0.0189969100000000, -0.0100934900000000 ] - [ -0.0001176100000000, -0.0002542100000000, -0.0037021200000000 ] - [ 0.0009561400000000, 0.0008816800000000, 0.0000332400000000 ] - [ 0.0005656300000000, 0.0005991200000000, -0.0003342500000000 ] - [ 0.0013730200000000, 0.0011787500000000, -0.0003676100000000 ] - [ -0.0006671400000000, 0.0011768800000000, 0.0003851800000000 ] - [ 0.0014004600000000, -0.0011743100000000, -0.0005134700000000 ] - [ 0.0035111500000000, -0.0034391700000000, 0.0007018400000000 ] - [ 0.0152727400000000, 0.0000000000000000, 0.0008256700000000 ] - [ 0.0154111200000000, 0.0000000000000000, 0.0008153100000000 ] - [ 0.0153705400000000, 0.0000000000000000, -0.0011235400000000 ] - [ -0.0011332800000000, 0.0000000000000000, 0.0004380300000000 ] - [ 0.0010548400000000, 0.0000000000000000, 0.0002402700000000 ] - [ -0.0000304400000000, 0.0000000000000000, -0.0007994100000000 ] - [ 0.0002205600000000, 0.0000000000000000, 0.0003750400000000 ] - [ 0.0004455800000000, 0.0000000000000000, -0.0001505600000000 ] - [ -0.0005195700000000, 0.0000000000000000, -0.0001477400000000 ] - [ -0.0012748900000000, 0.0000000000000000, 0.0002038200000000 ] - [ 0.0000658800000000, 0.0000000000000000, -0.0005060000000000 ] - [ 0.0014440300000000, 0.0000000000000000, 0.0002410400000000 ] - [ -0.0000334300000000, 0.0000000000000000, 0.0002297000000000 ] - [ -0.0001080700000000, 0.0000000000000000, -0.0001495800000000 ] - [ 0.0001135800000000, 0.0000000000000000, -0.0001429100000000 ] - [ 0.0028998400000000, -0.0001681500000000, -0.0034755400000000 ] - [ 0.0012183700000000, -0.0001975700000000, 0.0021139700000000 ] - [ 0.0053435600000000, 0.0004291200000000, 0.0018618200000000 ] - [ 0.0022818700000000, 0.0000000000000000, -0.2083124000000000 ] - [ 0.0263623400000000, 0.0000000000000000, 0.0119364900000000 ] - [ 0.0177443200000000, 0.0000000000000000, 0.0601404500000000 ] - [ 0.0174853600000000, 0.0000000000000000, -0.0015260100000000 ] - [ 0.0175613100000000, 0.0000000000000000, 0.0007506400000000 ] - [ 0.0177373500000000, 0.0000000000000000, 0.0004417200000000 ] - [ -0.0168822200000000, 0.0000000000000000, -0.0024031300000000 ] - [ -0.0177813100000000, 0.0000000000000000, 0.0051011000000000 ] - [ -0.0194092000000000, 0.0000000000000000, -0.0029804000000000 ] - [ -0.0172563600000000, 0.0000000000000000, -0.0012616100000000 ] - [ -0.0175714300000000, 0.0000000000000000, 0.0007694400000000 ] - [ -0.0168299600000000, 0.0000000000000000, 0.0007969400000000 ] - [ 0.0090274700000000, 0.0183661800000000, -0.0039364800000000 ] - [ -0.0148382800000000, -0.0169526200000000, -0.0036034500000000 ] - [ -0.0027046700000000, 0.0005558400000000, 0.0083221100000000 ] - [ -0.0027533800000000, 0.0002375400000000, -0.0036453400000000 ] - [ -0.0015972400000000, 0.0006806800000000, 0.0016695000000000 ] - [ -0.0041055900000000, -0.0001447700000000, 0.0014966700000000 ] - [ 0.0192630300000000, 0.0098731400000000, -0.0025604000000000 ] - [ 0.0025812800000000, -0.0004188900000000, 0.0059095800000000 ] - [ -0.0132443500000000, -0.0096564800000000, -0.0035840000000000 ] - [ -0.0027533800000000, -0.0002375400000000, -0.0036453400000000 ] - [ -0.0015972400000000, -0.0006806800000000, 0.0016695000000000 ] - [ -0.0041055900000000, 0.0001447700000000, 0.0014966700000000 ] - [ 0.0192630300000000, -0.0098731400000000, -0.0025604000000000 ] - [ 0.0025812800000000, 0.0004188900000000, 0.0059095800000000 ] - [ -0.0132443500000000, 0.0096564800000000, -0.0035840000000000 ] - [ 0.0028998400000000, 0.0001681500000000, -0.0034755400000000 ] - [ 0.0012183700000000, 0.0001975700000000, 0.0021139700000000 ] - [ 0.0053435600000000, -0.0004291200000000, 0.0018618200000000 ] - [ 0.0090274700000000, -0.0183661800000000, -0.0039364800000000 ] - [ -0.0148382800000000, 0.0169526200000000, -0.0036034500000000 ] - [ -0.0027046700000000, -0.0005558400000000, 0.0083221100000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0026920200000000, -0.0015653100000000, -0.0001178900000000 ] - [ 0.0027626300000000, -0.0015791400000000, -0.0005804600000000 ] - [ 0.0003917000000000, -0.0000668600000000, -0.0002836400000000 ] - [ -0.0145681200000000, -0.0002749600000000, 0.0002433400000000 ] - [ -0.0148073800000000, -0.0002007800000000, -0.0000109100000000 ] - [ -0.0148144500000000, -0.0001969300000000, 0.0004574000000000 ] - [ -0.0132625700000000, 0.0050038000000000, 0.0206943300000000 ] - [ -0.0156245600000000, -0.0003915500000000, -0.0012908200000000 ] - [ -0.0126711000000000, 0.0051743700000000, -0.0255065000000000 ] - [ 0.0162715400000000, 0.0002687600000000, -0.0001482000000000 ] - [ 0.0159408500000000, 0.0001998500000000, -0.0005982900000000 ] - [ 0.0159690800000000, 0.0002279900000000, 0.0004147800000000 ] - [ -0.1148009600000000, -0.1191878900000000, 0.0071945300000000 ] - [ -0.0061089500000000, -0.0077368700000000, 0.0000092400000000 ] - [ -0.0061153500000000, -0.0076696100000000, -0.0000619900000000 ] - [ 0.0036863000000000, 0.0035471100000000, -0.0004916000000000 ] - [ 0.0015808100000000, 0.0015326800000000, 0.0001810900000000 ] - [ 0.0036862500000000, 0.0036039800000000, 0.0010411300000000 ] - [ -0.0029513000000000, 0.0062907300000000, 0.0004821100000000 ] - [ -0.0007307100000000, 0.0016329600000000, 0.0000590400000000 ] - [ -0.0007839300000000, 0.0017547600000000, -0.0000928500000000 ] - [ 0.0010120800000000, -0.0010672800000000, -0.0001302000000000 ] - [ 0.0010219900000000, -0.0010938700000000, 0.0001864600000000 ] - [ 0.0004286800000000, -0.0006013700000000, -0.0000609600000000 ] - [ -0.0051379800000000, -0.0083651800000000, 0.0002431600000000 ] - [ -0.0006572300000000, -0.0012417300000000, 0.0000992500000000 ] - [ -0.0006998200000000, -0.0013485000000000, -0.0001726200000000 ] - [ 0.0010136100000000, 0.0007886500000000, -0.0001759600000000 ] - [ 0.0010183300000000, 0.0008204900000000, 0.0001232500000000 ] - [ 0.0003926200000000, 0.0004465900000000, -0.0000724000000000 ] - [ -0.0159170500000000, 0.0196187300000000, 0.0017987800000000 ] - [ -0.0032708400000000, 0.0036758700000000, 0.0004441700000000 ] - [ -0.0032754800000000, 0.0036748300000000, -0.0005173900000000 ] - [ 0.0010763900000000, -0.0003724000000000, -0.0000856800000000 ] - [ 0.0008515600000000, -0.0004683800000000, 0.0001392300000000 ] - [ 0.0010759500000000, -0.0003718300000000, 0.0003633800000000 ] - [ -0.0023820400000000, 0.0001095000000000, -0.0021996200000000 ] - [ -0.0025207800000000, 0.0000598900000000, 0.0024179900000000 ] - [ -0.0029417900000000, -0.0002152500000000, -0.0000700100000000 ] - [ 0.0068151500000000, 0.0013879700000000, 0.0001710100000000 ] - [ 0.0045180300000000, 0.0007370600000000, 0.0004712500000000 ] - [ 0.0045836600000000, 0.0007678500000000, -0.0003518500000000 ] - [ 0.0092317100000000, 0.0027759400000000, -0.0218213200000000 ] - [ 0.0041709100000000, -0.0010252700000000, -0.0001252100000000 ] - [ 0.0090401000000000, 0.0031513900000000, 0.0218414900000000 ] - [ 0.0287789400000000, -0.0102184900000000, 0.0014686400000000 ] - [ -0.0002534000000000, 0.0000829500000000, 0.0006332500000000 ] - [ -0.0000515000000000, -0.0000161300000000, -0.0007209200000000 ] - [ 0.0023156500000000, 0.0013170900000000, 0.0005169300000000 ] - [ 0.0029820200000000, 0.0009631500000000, -0.0001215600000000 ] - [ 0.0022575500000000, 0.0013832400000000, -0.0004556000000000 ] - [ -0.0047136000000000, -0.0001880100000000, -0.0000467400000000 ] - [ -0.0042548400000000, -0.0008299600000000, -0.0005652200000000 ] - [ -0.0042728600000000, -0.0008392000000000, 0.0003764100000000 ] - [ -0.0022565400000000, -0.0001891800000000, -0.0027245200000000 ] - [ -0.0023761300000000, -0.0001228800000000, 0.0029215700000000 ] - [ -0.0029790000000000, 0.0002004900000000, -0.0000605800000000 ] - [ 0.0064784900000000, -0.0015013800000000, 0.0001468200000000 ] - [ 0.0045092900000000, -0.0007319300000000, 0.0004676600000000 ] - [ 0.0045602000000000, -0.0007585300000000, -0.0003433700000000 ] - [ 0.0032401500000000, 0.0023106600000000, 0.0001354800000000 ] - [ 0.0024845400000000, 0.0018271400000000, 0.0001755000000000 ] - [ 0.0032637000000000, 0.0023216800000000, 0.0000767100000000 ] - [ 0.0225819600000000, 0.0147491700000000, 0.0035533000000000 ] - [ 0.0004709600000000, 0.0002269100000000, 0.0008349900000000 ] - [ 0.0007140700000000, 0.0003758400000000, -0.0012336300000000 ] - [ 0.0079092400000000, 0.0010828800000000, 0.0001086600000000 ] - [ -0.0035911000000000, 0.0004048100000000, -0.0028453500000000 ] - [ -0.0036103700000000, 0.0004145100000000, 0.0026347900000000 ] - [ -0.0256236800000000, 0.0079511800000000, -0.0010314700000000 ] - [ -0.0019573400000000, 0.0008041700000000, -0.0006153000000000 ] - [ -0.0019914100000000, 0.0007653000000000, -0.0000892600000000 ] - [ -0.0002182000000000, -0.0008960500000000, -0.0002707100000000 ] - [ -0.0001676500000000, -0.0008899300000000, -0.0002572400000000 ] - [ -0.0005649300000000, -0.0008021800000000, -0.0002506100000000 ] - [ 0.0020038700000000, 0.0058840600000000, -0.0001003500000000 ] - [ 0.0002985000000000, 0.0010914900000000, -0.0002468400000000 ] - [ 0.0002901600000000, 0.0011127300000000, -0.0002841700000000 ] - [ 0.0033858300000000, -0.0022037400000000, 0.0001489800000000 ] - [ 0.0024513200000000, -0.0017178000000000, 0.0001756300000000 ] - [ 0.0033958200000000, -0.0022116000000000, 0.0000982200000000 ] - [ 0.0140672300000000, 0.0007595300000000, 0.0008226100000000 ] - [ 0.0140066000000000, 0.0007924700000000, -0.0000618900000000 ] - [ 0.0147365500000000, 0.0003552900000000, 0.0002208200000000 ] - [ 0.0003399000000000, -0.0000021900000000, -0.0000474500000000 ] - [ 0.0003635900000000, -0.0000065400000000, 0.0001015800000000 ] - [ 0.0002023500000000, 0.0000169400000000, 0.0000165200000000 ] - [ 0.0022303300000000, 0.0004263400000000, 0.0000595500000000 ] - [ 0.0000851600000000, -0.0000205200000000, 0.0001302500000000 ] - [ 0.0000958600000000, -0.0000230300000000, -0.0001181600000000 ] - [ 0.0011082100000000, -0.0018677300000000, -0.0008931900000000 ] - [ -0.0000163100000000, -0.0004970100000000, -0.0000232500000000 ] - [ 0.0010295300000000, -0.0018035400000000, 0.0008271200000000 ] - [ 0.0027480800000000, 0.0129367200000000, 0.0001090800000000 ] - [ -0.0003545000000000, 0.0016928800000000, -0.0006329000000000 ] - [ -0.0003686100000000, 0.0016304000000000, 0.0005449400000000 ] - [ -0.0109278200000000, 0.0153730000000000, -0.0002629600000000 ] - [ 0.0023412800000000, 0.0020113200000000, -0.0014997600000000 ] - [ 0.0019991100000000, 0.0022622000000000, 0.0020204800000000 ] - [ 0.0126327900000000, 0.0015664000000000, -0.0000800500000000 ] - [ 0.0126720600000000, 0.0015440500000000, 0.0000913300000000 ] - [ 0.0147926300000000, 0.0006416100000000, 0.0000583900000000 ] - [ 0.0495622000000000, 0.0293193500000000, -0.0084157800000000 ] - [ 0.0230040400000000, 0.0023635700000000, -0.0112651400000000 ] - [ 0.0224348900000000, 0.0023005400000000, 0.0143157800000000 ] - [ -0.0224727200000000, -0.0020964300000000, 0.0004193100000000 ] - [ -0.0199848100000000, -0.0007411100000000, -0.0002236600000000 ] - [ -0.0224257100000000, -0.0021287700000000, -0.0008409000000000 ] - [ -0.0015035400000000, -0.0096945400000000, -0.0003165000000000 ] - [ -0.0135177300000000, -0.0015718900000000, 0.0003194700000000 ] - [ -0.0133459500000000, -0.0016319400000000, -0.0003840800000000 ] - [ -0.0065969300000000, 0.0003517600000000, 0.0012262000000000 ] - [ -0.0065337800000000, 0.0002865800000000, -0.0009233100000000 ] - [ -0.0050852200000000, -0.0000315500000000, 0.0002128300000000 ] - [ 0.0054097200000000, -0.0174937400000000, -0.0004827200000000 ] - [ -0.0001513000000000, -0.0032106100000000, -0.0003045600000000 ] - [ 0.0000188500000000, -0.0033426400000000, -0.0000063600000000 ] - [ 0.0029439700000000, 0.0011507100000000, 0.0001499400000000 ] - [ 0.0029071000000000, 0.0000722800000000, -0.0001310600000000 ] - [ 0.0029801100000000, 0.0009968500000000, -0.0005339900000000 ] - [ 0.0407844600000000, 0.0393028800000000, -0.0005668400000000 ] - [ 0.0038768900000000, 0.0023548900000000, 0.0103623200000000 ] - [ 0.0041236900000000, 0.0026186400000000, -0.0105782600000000 ] - [ -0.0056128300000000, 0.0020138900000000, 0.0063812700000000 ] - [ 0.0013828800000000, 0.0007286900000000, -0.0001189800000000 ] - [ -0.0053967300000000, 0.0019678500000000, -0.0067707100000000 ] - [ -0.0070257100000000, -0.0097742700000000, -0.0002867200000000 ] - [ 0.0018353900000000, -0.0022343500000000, -0.0011643600000000 ] - [ 0.0014807400000000, -0.0024986500000000, 0.0017129700000000 ] - [ -0.0062537600000000, -0.0002961900000000, 0.0012531200000000 ] - [ -0.0061879700000000, -0.0002300400000000, -0.0009625900000000 ] - [ -0.0051135000000000, -0.0000035900000000, 0.0002201200000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0048101700000000, 0.0034592000000000, -0.0003136300000000 ] - [ -0.0048805800000000, 0.0034721000000000, 0.0001490300000000 ] - [ -0.0025231000000000, 0.0019670000000000, -0.0001477200000000 ] - [ -0.0162072100000000, 0.0002747000000000, 0.0001056700000000 ] - [ -0.0159683800000000, 0.0002003400000000, 0.0003578400000000 ] - [ -0.0159614900000000, 0.0001975100000000, -0.0001055800000000 ] - [ -0.0175344600000000, -0.0049786800000000, -0.0209140600000000 ] - [ -0.0151569100000000, 0.0003895800000000, 0.0009074300000000 ] - [ -0.0181256600000000, -0.0051453900000000, 0.0248057800000000 ] - [ 0.0145127100000000, -0.0002690700000000, -0.0002011600000000 ] - [ 0.0148413400000000, -0.0001996300000000, 0.0002456700000000 ] - [ 0.0148136500000000, -0.0002284600000000, -0.0007593800000000 ] - [ 0.1125610700000000, 0.1179489400000000, -0.0067475000000000 ] - [ 0.0050036800000000, 0.0070046700000000, 0.0001827000000000 ] - [ 0.0049972600000000, 0.0069155400000000, 0.0002683000000000 ] - [ -0.0025913000000000, -0.0028347600000000, 0.0006974100000000 ] - [ -0.0004921700000000, -0.0008188200000000, 0.0000236700000000 ] - [ -0.0025914000000000, -0.0028926600000000, -0.0008343100000000 ] - [ 0.0040221100000000, -0.0069656400000000, -0.0006853200000000 ] - [ 0.0018043600000000, -0.0023277900000000, -0.0002641700000000 ] - [ 0.0018550600000000, -0.0024448800000000, -0.0001124900000000 ] - [ -0.0020832600000000, 0.0017654300000000, -0.0000755100000000 ] - [ -0.0020941600000000, 0.0017933300000000, -0.0003908400000000 ] - [ -0.0015045200000000, 0.0013035500000000, -0.0001450100000000 ] - [ 0.0061375600000000, 0.0089916100000000, -0.0004452200000000 ] - [ 0.0017296400000000, 0.0019380500000000, -0.0003043200000000 ] - [ 0.0017706100000000, 0.0020411300000000, -0.0000337300000000 ] - [ -0.0020837600000000, -0.0014856400000000, -0.0000303400000000 ] - [ -0.0020877900000000, -0.0015181800000000, -0.0003267800000000 ] - [ -0.0014682200000000, -0.0011483800000000, -0.0001332800000000 ] - [ 0.0146519600000000, -0.0187670600000000, -0.0015726800000000 ] - [ 0.0021735200000000, -0.0029529100000000, -0.0002395800000000 ] - [ 0.0021688900000000, -0.0029392200000000, 0.0007180300000000 ] - [ 0.0000113200000000, -0.0003379100000000, 0.0002893700000000 ] - [ 0.0002325300000000, -0.0002409900000000, 0.0000662600000000 ] - [ 0.0000107400000000, -0.0003381200000000, -0.0001547200000000 ] - [ -0.0051441000000000, -0.0011784100000000, 0.0023406200000000 ] - [ -0.0050056300000000, -0.0011289500000000, -0.0022566100000000 ] - [ -0.0045858100000000, -0.0008549000000000, 0.0002144800000000 ] - [ 0.0007254000000000, -0.0003126300000000, -0.0000194900000000 ] - [ 0.0030177100000000, 0.0003367800000000, -0.0003204400000000 ] - [ 0.0029540600000000, 0.0003066100000000, 0.0005004700000000 ] - [ -0.0016309700000000, -0.0038551300000000, 0.0216201600000000 ] - [ 0.0033656200000000, -0.0000505300000000, -0.0000308000000000 ] - [ -0.0014395100000000, -0.0042340400000000, -0.0219419200000000 ] - [ -0.0304568800000000, 0.0120011600000000, -0.0010228100000000 ] - [ -0.0018874900000000, 0.0018192300000000, -0.0002038500000000 ] - [ -0.0020785300000000, 0.0019112300000000, 0.0011464100000000 ] - [ 0.0052062100000000, -0.0002387900000000, -0.0006627500000000 ] - [ 0.0045450800000000, 0.0001123200000000, -0.0000317500000000 ] - [ 0.0052635200000000, -0.0003037300000000, 0.0003073800000000 ] - [ -0.0028258000000000, -0.0008802400000000, -0.0001026000000000 ] - [ -0.0032804000000000, -0.0002449000000000, 0.0004088700000000 ] - [ -0.0032636700000000, -0.0002362000000000, -0.0005225700000000 ] - [ -0.0052676200000000, 0.0012563200000000, 0.0028511700000000 ] - [ -0.0051492000000000, 0.0011911900000000, -0.0027444400000000 ] - [ -0.0045490800000000, 0.0008700900000000, 0.0002074200000000 ] - [ 0.0010795100000000, 0.0004198600000000, 0.0000032600000000 ] - [ 0.0030257400000000, -0.0003416900000000, -0.0003153100000000 ] - [ 0.0029754800000000, -0.0003156300000000, 0.0004887500000000 ] - [ -0.0010874700000000, -0.0003984100000000, 0.0002952100000000 ] - [ -0.0003364000000000, 0.0000833600000000, 0.0002553800000000 ] - [ -0.0011095900000000, -0.0004085100000000, 0.0003553300000000 ] - [ -0.0245782400000000, -0.0165696700000000, -0.0031126300000000 ] - [ -0.0026051500000000, -0.0021267800000000, -0.0004074800000000 ] - [ -0.0028304700000000, -0.0022638700000000, 0.0016504200000000 ] - [ -0.0155460300000000, -0.0000730400000000, -0.0002568300000000 ] - [ -0.0039362700000000, 0.0006660800000000, 0.0026836100000000 ] - [ -0.0039180800000000, 0.0006564500000000, -0.0027727400000000 ] - [ 0.0277961200000000, -0.0096798600000000, 0.0005872600000000 ] - [ 0.0040816500000000, -0.0026982000000000, 0.0001787900000000 ] - [ 0.0041191900000000, -0.0026624700000000, -0.0003384100000000 ] - [ -0.0019140400000000, -0.0010071400000000, -0.0001614700000000 ] - [ -0.0019632200000000, -0.0010132000000000, -0.0001757000000000 ] - [ -0.0015707400000000, -0.0011012100000000, -0.0001816700000000 ] - [ 0.0001488200000000, -0.0039374600000000, -0.0003290800000000 ] - [ 0.0018356000000000, 0.0008143300000000, -0.0001837200000000 ] - [ 0.0018465800000000, 0.0007956800000000, -0.0001458300000000 ] - [ -0.0012292700000000, 0.0002890800000000, 0.0002806300000000 ] - [ -0.0003023800000000, -0.0001928100000000, 0.0002537800000000 ] - [ -0.0012389400000000, 0.0002962900000000, 0.0003318400000000 ] - [ 0.0167024000000000, -0.0007538700000000, -0.0004702300000000 ] - [ 0.0167633200000000, -0.0007862900000000, 0.0004150500000000 ] - [ 0.0160378800000000, -0.0003526600000000, 0.0001288700000000 ] - [ -0.0003328700000000, 0.0000034300000000, 0.0000892000000000 ] - [ -0.0003550700000000, 0.0000050000000000, -0.0000615000000000 ] - [ -0.0001951200000000, -0.0000197000000000, 0.0000243400000000 ] - [ -0.0022118400000000, -0.0004169100000000, -0.0000178700000000 ] - [ -0.0000934700000000, 0.0000219800000000, -0.0000904500000000 ] - [ -0.0001046800000000, 0.0000233200000000, 0.0001584000000000 ] - [ -0.0011152100000000, 0.0018619200000000, 0.0008567100000000 ] - [ 0.0000092900000000, 0.0004938400000000, -0.0000180000000000 ] - [ -0.0010367900000000, 0.0017929000000000, -0.0008728500000000 ] - [ -0.0027502100000000, -0.0128484000000000, -0.0001493900000000 ] - [ 0.0003571300000000, -0.0016844400000000, 0.0005878000000000 ] - [ 0.0003713600000000, -0.0016249200000000, -0.0005818400000000 ] - [ 0.0168251400000000, -0.0147906400000000, 0.0005943500000000 ] - [ 0.0036606700000000, -0.0015770900000000, 0.0018231000000000 ] - [ 0.0039913200000000, -0.0018202900000000, -0.0016703000000000 ] - [ 0.0222214000000000, -0.0015629200000000, 0.0002908100000000 ] - [ 0.0221818900000000, -0.0015404100000000, 0.0001180000000000 ] - [ 0.0200754600000000, -0.0006382100000000, 0.0001519400000000 ] - [ -0.0133998800000000, -0.0272013300000000, 0.0080670300000000 ] - [ 0.0119147600000000, -0.0023484300000000, 0.0110500700000000 ] - [ 0.0124883800000000, -0.0022790100000000, -0.0143682800000000 ] - [ -0.0124446300000000, 0.0020933800000000, -0.0006267000000000 ] - [ -0.0149188500000000, 0.0007379800000000, 0.0000135700000000 ] - [ -0.0124902800000000, 0.0021258300000000, 0.0006252300000000 ] - [ -0.0332707900000000, 0.0096411400000000, 0.0005200600000000 ] - [ -0.0213395000000000, 0.0015607400000000, -0.0001082900000000 ] - [ -0.0215107400000000, 0.0016182600000000, 0.0005894900000000 ] - [ 0.0005737500000000, -0.0007717900000000, -0.0008771900000000 ] - [ 0.0005107200000000, -0.0007071600000000, 0.0012454700000000 ] - [ -0.0009263000000000, -0.0003926800000000, 0.0001228300000000 ] - [ -0.0113426900000000, 0.0177699900000000, 0.0001426400000000 ] - [ -0.0058319200000000, 0.0036189900000000, -0.0000297100000000 ] - [ -0.0059941200000000, 0.0037416300000000, -0.0003304000000000 ] - [ 0.0030480800000000, -0.0015616300000000, -0.0004829500000000 ] - [ 0.0030886200000000, -0.0004961200000000, -0.0002044300000000 ] - [ 0.0030128800000000, -0.0014090900000000, 0.0001925300000000 ] - [ -0.0472232500000000, -0.0415963500000000, 0.0002611100000000 ] - [ -0.0098591800000000, -0.0027882600000000, -0.0106235700000000 ] - [ -0.0100975200000000, -0.0030341600000000, 0.0101746400000000 ] - [ 0.0115462200000000, -0.0015739400000000, -0.0067258000000000 ] - [ 0.0046039600000000, -0.0003009000000000, -0.0002155300000000 ] - [ 0.0113324900000000, -0.0015283400000000, 0.0064430700000000 ] - [ 0.0129713500000000, 0.0092963300000000, 0.0006145900000000 ] - [ 0.0041582400000000, 0.0017983300000000, 0.0014949400000000 ] - [ 0.0044988000000000, 0.0020535000000000, -0.0013681500000000 ] - [ 0.0002348300000000, 0.0007191800000000, -0.0009158500000000 ] - [ 0.0001728900000000, 0.0006533500000000, 0.0012957100000000 ] - [ -0.0008971100000000, 0.0004287400000000, 0.0001175600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028983000000000, -0.0023119500000000, -0.0000331900000000 ] - [ 0.0030427400000000, -0.0023539200000000, -0.0006543500000000 ] - [ 0.0006447800000000, -0.0003437000000000, -0.0002962100000000 ] - [ -0.0146628700000000, -0.0003704800000000, 0.0002824400000000 ] - [ -0.0148612000000000, -0.0002809900000000, 0.0000470100000000 ] - [ -0.0148764200000000, -0.0002755000000000, 0.0003570500000000 ] - [ -0.0099122000000000, 0.0041004000000000, 0.0288379800000000 ] - [ -0.0155134800000000, -0.0007066200000000, -0.0017928600000000 ] - [ -0.0086967800000000, 0.0047017900000000, -0.0356971900000000 ] - [ 0.0163738000000000, 0.0003414000000000, -0.0001953700000000 ] - [ 0.0159409700000000, 0.0002682700000000, -0.0006137000000000 ] - [ 0.0159661300000000, 0.0002889600000000, 0.0003359300000000 ] - [ -0.1179537400000000, -0.2419717100000000, 0.0088976000000000 ] - [ -0.0078433800000000, -0.0108116800000000, -0.0002081900000000 ] - [ -0.0079370500000000, -0.0108375800000000, -0.0001764500000000 ] - [ 0.0038004300000000, 0.0029225900000000, -0.0004537100000000 ] - [ 0.0017206800000000, 0.0016363400000000, 0.0001729000000000 ] - [ 0.0037442900000000, 0.0029231500000000, 0.0010001800000000 ] - [ -0.0060700200000000, 0.0111842000000000, 0.0009996400000000 ] - [ -0.0014412300000000, 0.0028349200000000, -0.0000439500000000 ] - [ -0.0015624600000000, 0.0030838900000000, 0.0000051000000000 ] - [ 0.0008847400000000, -0.0010022000000000, -0.0001390800000000 ] - [ 0.0009111200000000, -0.0010377100000000, 0.0002045900000000 ] - [ 0.0004167600000000, -0.0006099100000000, -0.0000577100000000 ] - [ -0.0080973500000000, -0.0094398000000000, 0.0004026100000000 ] - [ -0.0010483000000000, -0.0017340200000000, -0.0001075600000000 ] - [ -0.0011542600000000, -0.0019558700000000, -0.0000081000000000 ] - [ 0.0006024300000000, 0.0002878900000000, -0.0001798300000000 ] - [ 0.0006345700000000, 0.0003288800000000, 0.0000718400000000 ] - [ 0.0002602400000000, 0.0002461300000000, -0.0000822700000000 ] - [ -0.0198128400000000, 0.0432436000000000, 0.0020839000000000 ] - [ -0.0038505000000000, 0.0048183800000000, 0.0006598200000000 ] - [ -0.0038669900000000, 0.0048314800000000, -0.0008824000000000 ] - [ 0.0005599200000000, 0.0008400200000000, -0.0001677800000000 ] - [ 0.0006553000000000, -0.0000758900000000, 0.0001129200000000 ] - [ 0.0005600400000000, 0.0008399300000000, 0.0003715600000000 ] - [ -0.0021352600000000, 0.0002343500000000, -0.0026470800000000 ] - [ -0.0023249700000000, 0.0001393400000000, 0.0029037900000000 ] - [ -0.0028410700000000, -0.0001799400000000, -0.0001250000000000 ] - [ 0.0077775800000000, 0.0017791800000000, 0.0002054800000000 ] - [ 0.0045804800000000, 0.0008156400000000, 0.0005465500000000 ] - [ 0.0046695700000000, 0.0008547600000000, -0.0004535700000000 ] - [ 0.0141172200000000, -0.0005383700000000, -0.0320463900000000 ] - [ 0.0049063100000000, -0.0013816300000000, -0.0002096000000000 ] - [ 0.0138927400000000, -0.0001477700000000, 0.0317543300000000 ] - [ 0.0190254800000000, -0.0132602300000000, 0.0017019900000000 ] - [ 0.0007075700000000, -0.0008700300000000, 0.0006672400000000 ] - [ 0.0010044700000000, -0.0010245300000000, -0.0009044400000000 ] - [ 0.0018885500000000, 0.0023968700000000, 0.0012360000000000 ] - [ 0.0029311800000000, 0.0012302800000000, -0.0001521500000000 ] - [ 0.0018095600000000, 0.0025273900000000, -0.0010069200000000 ] - [ -0.0050018000000000, 0.0013859500000000, 0.0000093000000000 ] - [ -0.0041705300000000, -0.0004270700000000, -0.0001095400000000 ] - [ -0.0041967600000000, -0.0004007200000000, -0.0001559100000000 ] - [ -0.0027758400000000, -0.0002651200000000, -0.0014111400000000 ] - [ -0.0028983700000000, -0.0001903300000000, 0.0016488900000000 ] - [ -0.0031252300000000, 0.0001636100000000, -0.0001038600000000 ] - [ 0.0057870400000000, -0.0013261800000000, 0.0001612600000000 ] - [ 0.0044444600000000, -0.0007364500000000, 0.0002812000000000 ] - [ 0.0045139200000000, -0.0007704800000000, -0.0001806400000000 ] - [ 0.0033442500000000, 0.0024778700000000, 0.0001681400000000 ] - [ 0.0025234200000000, 0.0019061200000000, 0.0001657600000000 ] - [ 0.0033618800000000, 0.0024873400000000, 0.0000498400000000 ] - [ 0.0317676700000000, 0.0245448700000000, 0.0051127000000000 ] - [ 0.0015597900000000, 0.0010057100000000, 0.0011207100000000 ] - [ 0.0019232300000000, 0.0012334000000000, -0.0018542600000000 ] - [ 0.0072086700000000, -0.0035660800000000, 0.0002068000000000 ] - [ -0.0028360600000000, -0.0002272900000000, -0.0031143100000000 ] - [ -0.0028840100000000, -0.0002467500000000, 0.0027958900000000 ] - [ -0.0397402200000000, 0.0423685600000000, -0.0022617200000000 ] - [ -0.0021708300000000, 0.0010465900000000, -0.0010700700000000 ] - [ -0.0021145300000000, 0.0009475900000000, 0.0002633400000000 ] - [ -0.0009175500000000, -0.0009801200000000, -0.0001860900000000 ] - [ -0.0008154200000000, -0.0009894500000000, -0.0002604300000000 ] - [ -0.0007304900000000, -0.0009092900000000, -0.0002465200000000 ] - [ 0.0064938000000000, 0.0131304300000000, 0.0002468400000000 ] - [ 0.0010675500000000, 0.0019033100000000, -0.0003388400000000 ] - [ 0.0010820000000000, 0.0019603300000000, -0.0002179500000000 ] - [ 0.0031361300000000, -0.0020074500000000, 0.0001377500000000 ] - [ 0.0023448000000000, -0.0016315600000000, 0.0001753700000000 ] - [ 0.0031243900000000, -0.0020026500000000, 0.0001408300000000 ] - [ 0.0134090100000000, 0.0018085700000000, 0.0033312100000000 ] - [ 0.0133499500000000, 0.0018828900000000, -0.0023957400000000 ] - [ 0.0146421400000000, 0.0006428000000000, 0.0001594600000000 ] - [ 0.0002326200000000, 0.0001867000000000, -0.0000124900000000 ] - [ 0.0002588700000000, 0.0001779800000000, 0.0000787400000000 ] - [ 0.0001712800000000, 0.0000952300000000, 0.0000162400000000 ] - [ 0.0019437100000000, -0.0004478700000000, 0.0000977700000000 ] - [ 0.0001109700000000, -0.0002132000000000, 0.0001069100000000 ] - [ 0.0001252700000000, -0.0002176400000000, -0.0001050200000000 ] - [ -0.0012703600000000, -0.0010389100000000, 0.0002936800000000 ] - [ -0.0000748700000000, -0.0006869100000000, -0.0000271500000000 ] - [ -0.0017304400000000, -0.0009448500000000, -0.0004961000000000 ] - [ 0.0044157500000000, 0.0250424500000000, 0.0001915000000000 ] - [ -0.0003916300000000, 0.0023306200000000, -0.0007897700000000 ] - [ -0.0004035300000000, 0.0022570300000000, 0.0007004100000000 ] - [ -0.0064844200000000, 0.0156415500000000, -0.0003119100000000 ] - [ 0.0020903800000000, 0.0030278100000000, -0.0006489200000000 ] - [ 0.0016133100000000, 0.0034369900000000, 0.0012250500000000 ] - [ 0.0134211700000000, 0.0021799600000000, -0.0000473800000000 ] - [ 0.0133565300000000, 0.0021662500000000, -0.0000016500000000 ] - [ 0.0149356800000000, 0.0009986500000000, 0.0000952000000000 ] - [ 0.0259045200000000, 0.0188557700000000, -0.0083398500000000 ] - [ 0.0235376900000000, 0.0041484700000000, -0.0161224400000000 ] - [ 0.0228512200000000, 0.0038791800000000, 0.0207478500000000 ] - [ -0.0225280900000000, -0.0026659900000000, 0.0006769600000000 ] - [ -0.0199890300000000, -0.0011349400000000, -0.0001488300000000 ] - [ -0.0223726600000000, -0.0026541900000000, -0.0009855300000000 ] - [ 0.0105537800000000, -0.0245144800000000, -0.0003854000000000 ] - [ -0.0127406400000000, -0.0029469700000000, 0.0023030000000000 ] - [ -0.0124038900000000, -0.0031111300000000, -0.0023900000000000 ] - [ -0.0057992100000000, 0.0004342000000000, 0.0008017200000000 ] - [ -0.0057598800000000, 0.0003801300000000, -0.0005220800000000 ] - [ -0.0048615400000000, 0.0000131800000000, 0.0002340000000000 ] - [ 0.0096296700000000, -0.0369226800000000, -0.0007589000000000 ] - [ -0.0003564000000000, -0.0053306400000000, -0.0007906300000000 ] - [ -0.0001025000000000, -0.0055385100000000, 0.0004639900000000 ] - [ 0.0041835700000000, -0.0016531500000000, 0.0001335100000000 ] - [ 0.0031754000000000, -0.0002323900000000, -0.0000703300000000 ] - [ 0.0042475900000000, -0.0020568600000000, -0.0005685200000000 ] - [ 0.0595682000000000, 0.1260090000000000, -0.0014924500000000 ] - [ 0.0044616300000000, 0.0038379000000000, 0.0149171600000000 ] - [ 0.0048162300000000, 0.0043785100000000, -0.0150339700000000 ] - [ -0.0071400000000000, 0.0067500600000000, 0.0053564500000000 ] - [ 0.0009240900000000, 0.0013671600000000, -0.0000319000000000 ] - [ -0.0067041300000000, 0.0068505100000000, -0.0057423200000000 ] - [ -0.0109106300000000, -0.0139148000000000, -0.0005648700000000 ] - [ 0.0013085400000000, -0.0032579400000000, -0.0013849800000000 ] - [ 0.0007935700000000, -0.0036731500000000, 0.0020256600000000 ] - [ -0.0063491400000000, -0.0007899300000000, 0.0015704600000000 ] - [ -0.0062770800000000, -0.0006999500000000, -0.0012997000000000 ] - [ -0.0051532600000000, -0.0001951200000000, 0.0002451600000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0050078700000000, 0.0042027300000000, -0.0003987800000000 ] - [ -0.0051553100000000, 0.0042452800000000, 0.0002221500000000 ] - [ -0.0027752800000000, 0.0022433900000000, -0.0001351300000000 ] - [ -0.0161115300000000, 0.0003684400000000, 0.0000663400000000 ] - [ -0.0159136100000000, 0.0002792100000000, 0.0002973800000000 ] - [ -0.0158981200000000, 0.0002748200000000, -0.0000027800000000 ] - [ -0.0208606000000000, -0.0041673200000000, -0.0290495100000000 ] - [ -0.0152703600000000, 0.0006954800000000, 0.0013786300000000 ] - [ -0.0220603400000000, -0.0047795400000000, 0.0347784700000000 ] - [ 0.0144109200000000, -0.0003385800000000, -0.0001541500000000 ] - [ 0.0148421600000000, -0.0002662000000000, 0.0002596600000000 ] - [ 0.0148178000000000, -0.0002871400000000, -0.0006768700000000 ] - [ 0.1192919000000000, 0.2478570400000000, -0.0084910200000000 ] - [ 0.0067410400000000, 0.0100860700000000, 0.0003869300000000 ] - [ 0.0068037100000000, 0.0100601500000000, 0.0003847400000000 ] - [ -0.0026955700000000, -0.0021869800000000, 0.0006558000000000 ] - [ -0.0006304200000000, -0.0009196600000000, 0.0000321700000000 ] - [ -0.0026371400000000, -0.0021865000000000, -0.0007882700000000 ] - [ 0.0071863200000000, -0.0119125700000000, -0.0012119500000000 ] - [ 0.0025195200000000, -0.0035348000000000, -0.0001573600000000 ] - [ 0.0026371300000000, -0.0037762500000000, -0.0002116500000000 ] - [ -0.0019476700000000, 0.0016888700000000, -0.0000651100000000 ] - [ -0.0019760300000000, 0.0017267800000000, -0.0004089600000000 ] - [ -0.0014881300000000, 0.0013068800000000, -0.0001480400000000 ] - [ 0.0092583300000000, 0.0102869100000000, -0.0006181400000000 ] - [ 0.0021316700000000, 0.0024477200000000, -0.0000973200000000 ] - [ 0.0022353400000000, 0.0026644000000000, -0.0001975500000000 ] - [ -0.0016714500000000, -0.0009830800000000, -0.0000244700000000 ] - [ -0.0017038300000000, -0.0010256100000000, -0.0002769300000000 ] - [ -0.0013343500000000, -0.0009468800000000, -0.0001233900000000 ] - [ 0.0185725800000000, -0.0421061600000000, -0.0018617500000000 ] - [ 0.0027632100000000, -0.0041129300000000, -0.0004576100000000 ] - [ 0.0027615100000000, -0.0040997200000000, 0.0010815300000000 ] - [ 0.0005262500000000, -0.0015521200000000, 0.0003722300000000 ] - [ 0.0004280700000000, -0.0006321400000000, 0.0000925900000000 ] - [ 0.0005254400000000, -0.0015519700000000, -0.0001640100000000 ] - [ -0.0053790200000000, -0.0013042700000000, 0.0027728100000000 ] - [ -0.0051907600000000, -0.0012106700000000, -0.0027245400000000 ] - [ -0.0046804300000000, -0.0008904300000000, 0.0002656800000000 ] - [ -0.0002095200000000, -0.0006965900000000, -0.0000527800000000 ] - [ 0.0029593800000000, 0.0002594500000000, -0.0003941700000000 ] - [ 0.0028741000000000, 0.0002216000000000, 0.0006000700000000 ] - [ -0.0065322800000000, -0.0003961300000000, 0.0319866700000000 ] - [ 0.0026229500000000, 0.0003133900000000, 0.0000534500000000 ] - [ -0.0063090300000000, -0.0007865200000000, -0.0319579300000000 ] - [ -0.0213610900000000, 0.0150694100000000, -0.0012618600000000 ] - [ -0.0028497600000000, 0.0027683400000000, -0.0002429500000000 ] - [ -0.0031279100000000, 0.0029084700000000, 0.0013314900000000 ] - [ 0.0056193300000000, -0.0013292500000000, -0.0013332800000000 ] - [ 0.0045879500000000, -0.0001562600000000, -0.0000026500000000 ] - [ 0.0056970600000000, -0.0014589900000000, 0.0008138600000000 ] - [ -0.0025753300000000, -0.0024845100000000, -0.0001599700000000 ] - [ -0.0033703800000000, -0.0006546800000000, -0.0000465000000000 ] - [ -0.0033466500000000, -0.0006822700000000, 0.0000104800000000 ] - [ -0.0047539400000000, 0.0013364400000000, 0.0015706800000000 ] - [ -0.0046329300000000, 0.0012631100000000, -0.0015014200000000 ] - [ -0.0044031300000000, 0.0009071800000000, 0.0002485400000000 ] - [ 0.0017566700000000, 0.0002505800000000, -0.0000111300000000 ] - [ 0.0030917100000000, -0.0003363300000000, -0.0001339300000000 ] - [ 0.0030241800000000, -0.0003033600000000, 0.0003310900000000 ] - [ -0.0011834100000000, -0.0005592200000000, 0.0002625700000000 ] - [ -0.0003693000000000, 0.0000085100000000, 0.0002650500000000 ] - [ -0.0011983600000000, -0.0005669100000000, 0.0003813700000000 ] - [ -0.0336457100000000, -0.0261813100000000, -0.0046480500000000 ] - [ -0.0036981600000000, -0.0029090000000000, -0.0006957200000000 ] - [ -0.0040301600000000, -0.0031135400000000, 0.0022630800000000 ] - [ -0.0147231800000000, 0.0047207300000000, -0.0003583700000000 ] - [ -0.0047002100000000, 0.0013050100000000, 0.0029452100000000 ] - [ -0.0046523500000000, 0.0013244400000000, -0.0029232700000000 ] - [ 0.0425505900000000, -0.0448325800000000, 0.0018596700000000 ] - [ 0.0042900100000000, -0.0029313300000000, 0.0006336100000000 ] - [ 0.0042355000000000, -0.0028351000000000, -0.0006892000000000 ] - [ -0.0012163000000000, -0.0009314400000000, -0.0002475700000000 ] - [ -0.0013185600000000, -0.0009219100000000, -0.0001713400000000 ] - [ -0.0014075700000000, -0.0009966000000000, -0.0001857200000000 ] - [ -0.0043301400000000, -0.0112491600000000, -0.0006770500000000 ] - [ 0.0010627000000000, 0.0000008700000000, -0.0000878000000000 ] - [ 0.0010517400000000, -0.0000521000000000, -0.0002144900000000 ] - [ -0.0009806000000000, 0.0000965800000000, 0.0002912300000000 ] - [ -0.0001939800000000, -0.0002788900000000, 0.0002540200000000 ] - [ -0.0009676400000000, 0.0000904200000000, 0.0002898600000000 ] - [ 0.0173726400000000, -0.0018007700000000, -0.0030242300000000 ] - [ 0.0174331100000000, -0.0018762100000000, 0.0028056400000000 ] - [ 0.0161327100000000, -0.0006382700000000, 0.0001921300000000 ] - [ -0.0002237800000000, -0.0001806900000000, 0.0000543900000000 ] - [ -0.0002488700000000, -0.0001746500000000, -0.0000390700000000 ] - [ -0.0001629100000000, -0.0000962000000000, 0.0000246000000000 ] - [ -0.0019472100000000, 0.0004292600000000, -0.0000564400000000 ] - [ -0.0001182900000000, 0.0002099300000000, -0.0000674600000000 ] - [ -0.0001324100000000, 0.0002130600000000, 0.0001454700000000 ] - [ 0.0012862500000000, 0.0010156300000000, -0.0003403600000000 ] - [ 0.0000678300000000, 0.0006815000000000, -0.0000139700000000 ] - [ 0.0017538700000000, 0.0009100500000000, 0.0004641400000000 ] - [ -0.0044441700000000, -0.0251732900000000, -0.0002337500000000 ] - [ 0.0003936800000000, -0.0023141600000000, 0.0007424600000000 ] - [ 0.0004048900000000, -0.0022426100000000, -0.0007347200000000 ] - [ 0.0125574300000000, -0.0153169500000000, 0.0006459800000000 ] - [ 0.0039080600000000, -0.0026019300000000, 0.0009925300000000 ] - [ 0.0043666200000000, -0.0029968000000000, -0.0008938500000000 ] - [ 0.0214211100000000, -0.0021636700000000, 0.0002549600000000 ] - [ 0.0214887000000000, -0.0021502900000000, 0.0002150300000000 ] - [ 0.0199264600000000, -0.0009904000000000, 0.0001149600000000 ] - [ 0.0116778300000000, -0.0162572200000000, 0.0080006600000000 ] - [ 0.0113866100000000, -0.0040996000000000, 0.0159636900000000 ] - [ 0.0120902400000000, -0.0038223900000000, -0.0207224300000000 ] - [ -0.0123935000000000, 0.0026447900000000, -0.0008853500000000 ] - [ -0.0149175800000000, 0.0011275700000000, -0.0000630500000000 ] - [ -0.0125510100000000, 0.0026316300000000, 0.0007690200000000 ] - [ -0.0457109200000000, 0.0245796300000000, 0.0005847800000000 ] - [ -0.0221224300000000, 0.0029216100000000, -0.0021305200000000 ] - [ -0.0224581700000000, 0.0030799100000000, 0.0026256200000000 ] - [ -0.0002196300000000, -0.0008648000000000, -0.0004623600000000 ] - [ -0.0002574300000000, -0.0008110700000000, 0.0008534800000000 ] - [ -0.0011524900000000, -0.0004392300000000, 0.0001021700000000 ] - [ -0.0155204100000000, 0.0372492600000000, 0.0004173600000000 ] - [ -0.0056213700000000, 0.0057506200000000, 0.0004306000000000 ] - [ -0.0058614100000000, 0.0059392800000000, -0.0007751700000000 ] - [ 0.0018215900000000, 0.0012884800000000, -0.0004842400000000 ] - [ 0.0028256600000000, -0.0001846300000000, -0.0002656300000000 ] - [ 0.0017577500000000, 0.0016961300000000, 0.0002454900000000 ] - [ -0.0712500200000000, -0.1356838300000000, 0.0012847000000000 ] - [ -0.0104464300000000, -0.0042962300000000, -0.0151697300000000 ] - [ -0.0107794500000000, -0.0048009800000000, 0.0146063600000000 ] - [ 0.0130620100000000, -0.0063500200000000, -0.0056556300000000 ] - [ 0.0050629000000000, -0.0009424500000000, -0.0003045100000000 ] - [ 0.0126176900000000, -0.0064523200000000, 0.0053706200000000 ] - [ 0.0167826000000000, 0.0134709300000000, 0.0008891500000000 ] - [ 0.0046801000000000, 0.0028334600000000, 0.0017090300000000 ] - [ 0.0051708700000000, 0.0032323700000000, -0.0016713400000000 ] - [ 0.0003112800000000, 0.0012120400000000, -0.0012260500000000 ] - [ 0.0002454400000000, 0.0011229700000000, 0.0016245500000000 ] - [ -0.0008673400000000, 0.0006183800000000, 0.0000935900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002149700000000, 0.0005922500000000, -0.0003162700000000 ] - [ -0.0023593200000000, 0.0016074000000000, -0.0002351900000000 ] - [ -0.0011941500000000, 0.0010370700000000, -0.0001137500000000 ] - [ -0.0154523900000000, 0.0000231000000000, -0.0003194100000000 ] - [ -0.0154649100000000, 0.0000319600000000, 0.0003688100000000 ] - [ -0.0153757100000000, 0.0000006900000000, 0.0004646200000000 ] - [ -0.0100112900000000, 0.0059915500000000, 0.0084260400000000 ] - [ -0.0153931300000000, 0.0000805100000000, 0.0032724500000000 ] - [ -0.0218478400000000, -0.0075717100000000, 0.0048818400000000 ] - [ 0.0153231200000000, -0.0000242700000000, -0.0007023100000000 ] - [ 0.0153194700000000, -0.0000330800000000, 0.0000796900000000 ] - [ 0.0153938200000000, 0.0000013600000000, 0.0000911900000000 ] - [ 0.0064530900000000, 0.0080467400000000, -0.0370764500000000 ] - [ -0.0007091700000000, -0.0006358400000000, 0.0006434900000000 ] - [ -0.0006300100000000, -0.0006531800000000, 0.0006568800000000 ] - [ -0.0003998000000000, -0.0005449600000000, -0.0000026300000000 ] - [ 0.0004599400000000, 0.0002808700000000, 0.0002847900000000 ] - [ 0.0011334600000000, 0.0009047500000000, 0.0000015400000000 ] - [ 0.0011243300000000, -0.0014633100000000, -0.0002739800000000 ] - [ 0.0007023900000000, -0.0004085500000000, -0.0001321500000000 ] - [ 0.0005497700000000, -0.0004594700000000, 0.0000058700000000 ] - [ -0.0005139600000000, 0.0003172600000000, -0.0000609300000000 ] - [ -0.0008306300000000, 0.0006619800000000, -0.0002119100000000 ] - [ -0.0005829900000000, 0.0003991400000000, -0.0000459700000000 ] - [ 0.0008763200000000, 0.0008593500000000, -0.0004302000000000 ] - [ 0.0007425600000000, 0.0003467100000000, -0.0000788800000000 ] - [ 0.0004706100000000, 0.0004457400000000, -0.0000087800000000 ] - [ -0.0004681500000000, -0.0002753800000000, -0.0000877900000000 ] - [ -0.0007657300000000, -0.0005280200000000, -0.0001777300000000 ] - [ -0.0005712500000000, -0.0003739600000000, -0.0000443000000000 ] - [ 0.0011477100000000, -0.0016296000000000, -0.0014371200000000 ] - [ -0.0011647700000000, 0.0013441000000000, 0.0004106700000000 ] - [ -0.0002043200000000, -0.0001975900000000, 0.0004114000000000 ] - [ 0.0002813100000000, -0.0000828500000000, 0.0000605600000000 ] - [ 0.0005029800000000, -0.0003425700000000, 0.0002206400000000 ] - [ 0.0007278600000000, -0.0006213000000000, 0.0000644700000000 ] - [ -0.0039679500000000, -0.0006255900000000, 0.0004236200000000 ] - [ -0.0038817600000000, -0.0006067300000000, -0.0009183500000000 ] - [ -0.0037850500000000, -0.0005591800000000, 0.0007522300000000 ] - [ 0.0030326500000000, 0.0003460100000000, -0.0002015100000000 ] - [ 0.0039532800000000, 0.0005986300000000, 0.0000749800000000 ] - [ 0.0036478500000000, 0.0004914200000000, 0.0003400800000000 ] - [ -0.0034774400000000, -0.0073274500000000, 0.0074609500000000 ] - [ 0.0036432500000000, -0.0005165200000000, 0.0026368600000000 ] - [ 0.0105240200000000, 0.0060959500000000, 0.0063915000000000 ] - [ -0.0023837500000000, 0.0020690100000000, -0.0019583600000000 ] - [ 0.0000337900000000, 0.0003274500000000, 0.0005334400000000 ] - [ -0.0016879900000000, 0.0012628900000000, 0.0005075800000000 ] - [ 0.0039222200000000, 0.0005541200000000, -0.0006659700000000 ] - [ 0.0037520400000000, 0.0005114800000000, 0.0009065600000000 ] - [ 0.0037584100000000, 0.0003875800000000, -0.0001388900000000 ] - [ -0.0036629600000000, -0.0005822600000000, -0.0009169400000000 ] - [ -0.0039495100000000, -0.0005040600000000, 0.0003142600000000 ] - [ -0.0036357400000000, -0.0005895700000000, 0.0004120000000000 ] - [ -0.0038489000000000, 0.0005794300000000, 0.0000294700000000 ] - [ -0.0037587700000000, 0.0005713500000000, -0.0004899400000000 ] - [ -0.0037736000000000, 0.0005493600000000, 0.0006669100000000 ] - [ 0.0035923300000000, -0.0004675100000000, -0.0002230400000000 ] - [ 0.0039266700000000, -0.0005983800000000, 0.0001574500000000 ] - [ 0.0036363700000000, -0.0004956100000000, 0.0002813800000000 ] - [ 0.0007824300000000, 0.0007661300000000, 0.0002001000000000 ] - [ 0.0009954500000000, 0.0009054700000000, 0.0002629900000000 ] - [ 0.0009918700000000, 0.0008875600000000, 0.0002001300000000 ] - [ -0.0064229400000000, -0.0047903500000000, 0.0008428900000000 ] - [ 0.0006060200000000, 0.0002367800000000, 0.0007215000000000 ] - [ -0.0017203300000000, -0.0014228600000000, 0.0006400100000000 ] - [ -0.0042858700000000, 0.0005844900000000, -0.0022924900000000 ] - [ -0.0044498000000000, 0.0007267700000000, 0.0010717200000000 ] - [ -0.0031864900000000, 0.0003921900000000, 0.0009532700000000 ] - [ 0.0028314900000000, -0.0028934700000000, -0.0039559400000000 ] - [ 0.0020576500000000, -0.0017292900000000, 0.0000930800000000 ] - [ 0.0005059500000000, -0.0004618300000000, 0.0000623900000000 ] - [ -0.0007745500000000, -0.0010034400000000, -0.0002702000000000 ] - [ -0.0014681600000000, -0.0009259000000000, -0.0002612400000000 ] - [ -0.0011367600000000, -0.0009829700000000, -0.0001532600000000 ] - [ 0.0008768600000000, 0.0003761000000000, -0.0001595000000000 ] - [ 0.0012789000000000, 0.0009908500000000, -0.0001884800000000 ] - [ 0.0010274200000000, 0.0009721500000000, -0.0001438500000000 ] - [ 0.0008006000000000, -0.0008438500000000, 0.0002114200000000 ] - [ 0.0010070100000000, -0.0009208000000000, 0.0002623800000000 ] - [ 0.0011152800000000, -0.0009606300000000, 0.0001810200000000 ] - [ 0.0154765200000000, 0.0000168300000000, -0.0001515500000000 ] - [ 0.0154913800000000, -0.0002324500000000, -0.0003653100000000 ] - [ 0.0154360000000000, -0.0000300400000000, 0.0009382600000000 ] - [ 0.0000036400000000, -0.0000302400000000, 0.0000223700000000 ] - [ -0.0000390700000000, -0.0000345900000000, -0.0000074600000000 ] - [ -0.0000010800000000, -0.0000091300000000, 0.0000464400000000 ] - [ -0.0001972100000000, 0.0001257300000000, -0.0000107000000000 ] - [ 0.0001136900000000, 0.0000088000000000, 0.0000233300000000 ] - [ -0.0000650200000000, 0.0000114400000000, 0.0000656700000000 ] - [ -0.0011949600000000, 0.0009223700000000, 0.0004434000000000 ] - [ -0.0000161400000000, 0.0000303900000000, 0.0000804800000000 ] - [ 0.0013351300000000, -0.0008193200000000, 0.0004930900000000 ] - [ -0.0001319800000000, -0.0008608700000000, 0.0008699900000000 ] - [ -0.0000457000000000, -0.0007082400000000, 0.0003001500000000 ] - [ 0.0000460700000000, 0.0004220700000000, 0.0002466800000000 ] - [ 0.0038418700000000, -0.0007492600000000, 0.0009747600000000 ] - [ 0.0018855700000000, 0.0006006900000000, 0.0000037800000000 ] - [ 0.0037039000000000, -0.0001267800000000, -0.0003152900000000 ] - [ 0.0170422700000000, 0.0001048900000000, 0.0002556600000000 ] - [ 0.0184539300000000, -0.0003781900000000, 0.0004032900000000 ] - [ 0.0175812800000000, -0.0000454500000000, -0.0003393200000000 ] - [ 0.0139619900000000, -0.0041795300000000, 0.0144493100000000 ] - [ 0.0167764500000000, -0.0008349100000000, -0.0075661100000000 ] - [ 0.0179880800000000, 0.0006038900000000, -0.0060039100000000 ] - [ -0.0164773800000000, 0.0005057900000000, 0.0001339100000000 ] - [ -0.0172654400000000, 0.0000515800000000, -0.0005744500000000 ] - [ -0.0177902800000000, -0.0001968700000000, 0.0001458900000000 ] - [ -0.0190072600000000, 0.0014362300000000, 0.0009669900000000 ] - [ -0.0184082400000000, 0.0006422300000000, -0.0001870500000000 ] - [ -0.0170056900000000, -0.0004352400000000, -0.0003979400000000 ] - [ -0.0029747300000000, -0.0002766300000000, 0.0002062200000000 ] - [ -0.0027176700000000, -0.0001464300000000, 0.0004601400000000 ] - [ -0.0029370200000000, -0.0002118000000000, -0.0001634000000000 ] - [ -0.0037766400000000, 0.0019434200000000, 0.0007960900000000 ] - [ -0.0026907000000000, -0.0000213800000000, -0.0005530000000000 ] - [ -0.0032876100000000, 0.0004113200000000, -0.0008848400000000 ] - [ 0.0034097700000000, -0.0013888000000000, 0.0003576000000000 ] - [ 0.0030941400000000, -0.0002149800000000, -0.0009640600000000 ] - [ 0.0026109800000000, 0.0009462700000000, 0.0002011500000000 ] - [ -0.0021886800000000, 0.0027515800000000, 0.0138241700000000 ] - [ -0.0033832100000000, 0.0007161500000000, -0.0064772700000000 ] - [ -0.0027872100000000, -0.0005312200000000, -0.0056444200000000 ] - [ 0.0069998500000000, -0.0000510100000000, 0.0003630200000000 ] - [ 0.0032140300000000, 0.0001490800000000, -0.0018142500000000 ] - [ -0.0000982900000000, 0.0002044400000000, 0.0009531500000000 ] - [ 0.0050615400000000, 0.0012753300000000, 0.0007607800000000 ] - [ 0.0016961900000000, -0.0007909800000000, 0.0003196600000000 ] - [ 0.0035515400000000, 0.0001513100000000, -0.0004552500000000 ] - [ -0.0028049200000000, 0.0003560800000000, -0.0000368100000000 ] - [ -0.0026443100000000, 0.0001977900000000, 0.0007094600000000 ] - [ -0.0029351100000000, 0.0002168600000000, -0.0001458800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019307000000000, 0.0013158200000000, -0.0001132500000000 ] - [ 0.0002121100000000, 0.0003003700000000, -0.0001968800000000 ] - [ -0.0009505100000000, 0.0008720200000000, -0.0003175800000000 ] - [ -0.0153277000000000, -0.0000221300000000, 0.0006665700000000 ] - [ -0.0153141700000000, -0.0000315200000000, -0.0000251300000000 ] - [ -0.0154034500000000, 0.0000007300000000, -0.0001124100000000 ] - [ -0.0206703000000000, -0.0058893000000000, -0.0086601800000000 ] - [ -0.0153847700000000, -0.0000779300000000, -0.0036232700000000 ] - [ -0.0088051800000000, 0.0077089300000000, -0.0053518300000000 ] - [ 0.0154582600000000, 0.0000232600000000, 0.0003511200000000 ] - [ 0.0154589900000000, 0.0000324600000000, -0.0004346100000000 ] - [ 0.0153854100000000, -0.0000025900000000, -0.0004331100000000 ] - [ -0.0074953200000000, -0.0093273400000000, 0.0372254000000000 ] - [ -0.0003786600000000, -0.0000749800000000, -0.0004548000000000 ] - [ -0.0004561600000000, -0.0000580500000000, -0.0004414100000000 ] - [ 0.0014759800000000, 0.0012438600000000, 0.0002028200000000 ] - [ 0.0006174600000000, 0.0004215900000000, -0.0000808000000000 ] - [ -0.0000556600000000, -0.0002050900000000, 0.0002069200000000 ] - [ -0.0000433600000000, 0.0007481800000000, 0.0000687100000000 ] - [ 0.0003791000000000, -0.0002952900000000, -0.0000765100000000 ] - [ 0.0005301500000000, -0.0002429400000000, -0.0002102600000000 ] - [ -0.0005682800000000, 0.0003912100000000, -0.0001439300000000 ] - [ -0.0002528800000000, 0.0000482400000000, 0.0000041100000000 ] - [ -0.0004983600000000, 0.0003087600000000, -0.0001605800000000 ] - [ 0.0001877400000000, -0.0001614200000000, 0.0002244200000000 ] - [ 0.0003389400000000, 0.0003567900000000, -0.0001290200000000 ] - [ 0.0006094800000000, 0.0002563300000000, -0.0001966100000000 ] - [ -0.0006132500000000, -0.0004306400000000, -0.0001168800000000 ] - [ -0.0003153700000000, -0.0001793800000000, -0.0000292700000000 ] - [ -0.0005098600000000, -0.0003329200000000, -0.0001619200000000 ] - [ -0.0022235700000000, 0.0023160400000000, 0.0016394800000000 ] - [ 0.0000710400000000, -0.0006199700000000, -0.0002065200000000 ] - [ -0.0008878000000000, 0.0009197900000000, -0.0002056500000000 ] - [ 0.0007995600000000, -0.0006186700000000, 0.0001405400000000 ] - [ 0.0005759800000000, -0.0003630100000000, -0.0000157700000000 ] - [ 0.0003528200000000, -0.0000813400000000, 0.0001444200000000 ] - [ -0.0035676400000000, -0.0004480800000000, -0.0002515100000000 ] - [ -0.0036529900000000, -0.0004669200000000, 0.0010431400000000 ] - [ -0.0037453300000000, -0.0005130700000000, -0.0006027600000000 ] - [ 0.0044792700000000, 0.0007219000000000, 0.0003512300000000 ] - [ 0.0035817800000000, 0.0004755300000000, 0.0000694500000000 ] - [ 0.0038868700000000, 0.0005826100000000, -0.0001846500000000 ] - [ 0.0109257200000000, 0.0061570700000000, -0.0075485200000000 ] - [ 0.0038833600000000, -0.0005535100000000, -0.0027877500000000 ] - [ -0.0030714500000000, -0.0072641900000000, -0.0066030500000000 ] - [ 0.0002108100000000, -0.0001502600000000, 0.0023876400000000 ] - [ -0.0021592000000000, 0.0015679000000000, -0.0001029500000000 ] - [ -0.0004394700000000, 0.0006339700000000, -0.0000767100000000 ] - [ 0.0036093600000000, 0.0005244900000000, 0.0004925100000000 ] - [ 0.0037796800000000, 0.0005612900000000, -0.0010563900000000 ] - [ 0.0037732100000000, 0.0006915600000000, 0.0000114900000000 ] - [ -0.0038591100000000, -0.0004778600000000, 0.0007660500000000 ] - [ -0.0035855000000000, -0.0005685200000000, -0.0004710500000000 ] - [ -0.0038991400000000, -0.0004832200000000, -0.0005576500000000 ] - [ -0.0036826700000000, 0.0004930500000000, 0.0001291500000000 ] - [ -0.0037731000000000, 0.0005012600000000, 0.0006314000000000 ] - [ -0.0037574500000000, 0.0005232800000000, -0.0005167900000000 ] - [ 0.0039370000000000, -0.0006046500000000, 0.0003715500000000 ] - [ 0.0036074000000000, -0.0004754400000000, -0.0000117600000000 ] - [ 0.0038965700000000, -0.0005780900000000, -0.0001291800000000 ] - [ 0.0013572200000000, 0.0011384300000000, 0.0002297800000000 ] - [ 0.0011447100000000, 0.0010006000000000, 0.0001681900000000 ] - [ 0.0011485700000000, 0.0010171900000000, 0.0002330800000000 ] - [ 0.0041278500000000, 0.0027716800000000, -0.0004436000000000 ] - [ -0.0027177600000000, -0.0021211400000000, -0.0002901600000000 ] - [ -0.0003924200000000, -0.0004622300000000, -0.0002184300000000 ] - [ -0.0032141100000000, 0.0004831300000000, 0.0021406800000000 ] - [ -0.0030889100000000, 0.0003488900000000, -0.0012253400000000 ] - [ -0.0043512900000000, 0.0006832200000000, -0.0010985500000000 ] - [ -0.0007620500000000, 0.0010434200000000, 0.0035151500000000 ] - [ 0.0000933900000000, -0.0001842300000000, -0.0005263000000000 ] - [ 0.0016454100000000, -0.0014519700000000, -0.0004932100000000 ] - [ -0.0013666800000000, -0.0008998300000000, -0.0001612700000000 ] - [ -0.0006729000000000, -0.0009773400000000, -0.0001725300000000 ] - [ -0.0010051300000000, -0.0009231400000000, -0.0002792900000000 ] - [ 0.0012573400000000, 0.0015345300000000, -0.0002714000000000 ] - [ 0.0008631500000000, 0.0009157000000000, -0.0002439200000000 ] - [ 0.0011159900000000, 0.0009355700000000, -0.0002850000000000 ] - [ 0.0013411400000000, -0.0010628500000000, 0.0002172800000000 ] - [ 0.0011335500000000, -0.0009855100000000, 0.0001671900000000 ] - [ 0.0010264900000000, -0.0009465500000000, 0.0002502900000000 ] - [ 0.0153023800000000, -0.0000174100000000, 0.0005147000000000 ] - [ 0.0152878000000000, 0.0002315800000000, 0.0006952600000000 ] - [ 0.0153439200000000, 0.0000294000000000, -0.0005896600000000 ] - [ 0.0000012400000000, 0.0000314300000000, 0.0000195100000000 ] - [ 0.0000452600000000, 0.0000328300000000, 0.0000461900000000 ] - [ 0.0000068600000000, 0.0000064500000000, -0.0000060200000000 ] - [ 0.0001886000000000, -0.0001213100000000, 0.0000506700000000 ] - [ -0.0001193800000000, -0.0000079600000000, 0.0000145000000000 ] - [ 0.0000577000000000, -0.0000109600000000, -0.0000245200000000 ] - [ 0.0011741500000000, -0.0009091700000000, -0.0004811800000000 ] - [ 0.0000087500000000, -0.0000297600000000, -0.0001219700000000 ] - [ -0.0013555600000000, 0.0008262900000000, -0.0005385000000000 ] - [ 0.0001641300000000, 0.0009811400000000, -0.0009102000000000 ] - [ 0.0000489000000000, 0.0006989000000000, -0.0003398700000000 ] - [ -0.0000424700000000, -0.0004323200000000, -0.0002888000000000 ] - [ 0.0021707600000000, 0.0011777500000000, -0.0006380000000000 ] - [ 0.0040986400000000, -0.0001678000000000, 0.0003363700000000 ] - [ 0.0022791800000000, 0.0005604300000000, 0.0006446800000000 ] - [ 0.0178449800000000, -0.0001079800000000, -0.0000475100000000 ] - [ 0.0164338200000000, 0.0003750200000000, -0.0001904100000000 ] - [ 0.0173050600000000, 0.0000442000000000, 0.0005486900000000 ] - [ 0.0203627900000000, 0.0034649400000000, -0.0144758100000000 ] - [ 0.0181037400000000, 0.0008246900000000, 0.0073147800000000 ] - [ 0.0168975200000000, -0.0006086600000000, 0.0058628600000000 ] - [ -0.0184101600000000, -0.0005008900000000, -0.0003370500000000 ] - [ -0.0176149800000000, -0.0000494300000000, 0.0003638100000000 ] - [ -0.0170968700000000, 0.0002015300000000, -0.0003641900000000 ] - [ -0.0158454000000000, -0.0014456800000000, -0.0007583100000000 ] - [ -0.0164811400000000, -0.0006364900000000, 0.0004114200000000 ] - [ -0.0178820400000000, 0.0004397400000000, 0.0005957900000000 ] - [ -0.0030231700000000, -0.0001466600000000, 0.0001264200000000 ] - [ -0.0032811100000000, -0.0002765600000000, -0.0001210400000000 ] - [ -0.0030624600000000, -0.0002124500000000, 0.0004968700000000 ] - [ -0.0022088900000000, -0.0015689800000000, -0.0011300400000000 ] - [ -0.0033010800000000, 0.0004397900000000, 0.0002308400000000 ] - [ -0.0027038400000000, 0.0000073900000000, 0.0005326800000000 ] - [ 0.0025872400000000, 0.0009470900000000, -0.0006788100000000 ] - [ 0.0029083100000000, -0.0002123300000000, 0.0006264600000000 ] - [ 0.0033855000000000, -0.0013860300000000, -0.0005532600000000 ] - [ -0.0031813900000000, -0.0019765400000000, -0.0141737100000000 ] - [ -0.0026220700000000, -0.0011397600000000, 0.0061201900000000 ] - [ -0.0032187100000000, 0.0001077500000000, 0.0053279400000000 ] - [ -0.0009859600000000, 0.0004811200000000, -0.0006801400000000 ] - [ 0.0027951600000000, 0.0002750700000000, 0.0014769200000000 ] - [ 0.0061079000000000, 0.0002249400000000, -0.0013086700000000 ] - [ 0.0009985000000000, -0.0016713900000000, -0.0004274700000000 ] - [ 0.0042793900000000, 0.0003539700000000, 0.0000290000000000 ] - [ 0.0024236700000000, -0.0005886900000000, 0.0007772000000000 ] - [ -0.0031909500000000, 0.0000695400000000, 0.0003597700000000 ] - [ -0.0033488200000000, 0.0002269200000000, -0.0003615500000000 ] - [ -0.0030646800000000, 0.0002077300000000, 0.0004813500000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010754700000000, -0.0003816000000000, -0.0004608300000000 ] - [ -0.0001921000000000, 0.0004117000000000, -0.0000714200000000 ] - [ -0.0001806300000000, 0.0004014100000000, -0.0003392700000000 ] - [ -0.0149584000000000, -0.0004919300000000, 0.0024061700000000 ] - [ -0.0152326800000000, -0.0001487600000000, 0.0002963000000000 ] - [ -0.0150548800000000, -0.0004620500000000, -0.0018753400000000 ] - [ -0.0148014000000000, 0.0005892900000000, -0.0012052100000000 ] - [ -0.0148064300000000, 0.0005927800000000, 0.0006050700000000 ] - [ -0.0144557200000000, 0.0009686400000000, -0.0006013000000000 ] - [ 0.0161689100000000, 0.0005981900000000, 0.0025867600000000 ] - [ 0.0155610100000000, 0.0001804200000000, -0.0002149700000000 ] - [ 0.0160882300000000, 0.0005837400000000, -0.0028417400000000 ] - [ 0.0008466100000000, 0.0012739900000000, -0.0000971000000000 ] - [ 0.0002855100000000, 0.0005706000000000, 0.0000828500000000 ] - [ 0.0007080600000000, 0.0010854900000000, -0.0000108800000000 ] - [ 0.0013574600000000, 0.0012538800000000, 0.0002225000000000 ] - [ 0.0012931200000000, 0.0011665700000000, -0.0000851100000000 ] - [ 0.0036054600000000, 0.0043736000000000, 0.0008324000000000 ] - [ 0.0060054000000000, -0.0106935300000000, -0.0073019700000000 ] - [ 0.0009466300000000, -0.0015001700000000, -0.0002233800000000 ] - [ 0.0058129400000000, -0.0104640600000000, 0.0066920600000000 ] - [ 0.0113237600000000, -0.0107377200000000, 0.0004388100000000 ] - [ -0.0003712400000000, -0.0005791600000000, 0.0005791900000000 ] - [ -0.0003898900000000, -0.0005311300000000, -0.0006866300000000 ] - [ -0.0009059100000000, -0.0015130800000000, 0.0000532100000000 ] - [ -0.0002406800000000, -0.0004746800000000, -0.0001169600000000 ] - [ -0.0009633700000000, -0.0015907100000000, -0.0001097900000000 ] - [ -0.0014999100000000, -0.0015866000000000, -0.0002020200000000 ] - [ -0.0010328500000000, -0.0007569800000000, 0.0000796100000000 ] - [ -0.0010505600000000, -0.0007819900000000, -0.0002345700000000 ] - [ 0.0009708800000000, -0.0006397700000000, 0.0000200900000000 ] - [ 0.0002483700000000, -0.0002892200000000, 0.0000945200000000 ] - [ 0.0008516800000000, -0.0005184400000000, 0.0001096600000000 ] - [ 0.0013347800000000, -0.0010999900000000, 0.0002334200000000 ] - [ 0.0012842000000000, -0.0010318700000000, -0.0000583800000000 ] - [ 0.0032563300000000, -0.0023804500000000, 0.0002763700000000 ] - [ -0.1004694800000000, -0.0108657300000000, 0.0009664600000000 ] - [ -0.0103116300000000, -0.0021112300000000, -0.0116323800000000 ] - [ -0.0103110700000000, -0.0020891500000000, 0.0115982500000000 ] - [ 0.0074766600000000, 0.0040019500000000, 0.0231619500000000 ] - [ -0.0002025700000000, -0.0005447200000000, -0.0000182200000000 ] - [ 0.0074765100000000, 0.0040204000000000, -0.0232425700000000 ] - [ 0.0046544500000000, -0.0007280000000000, -0.0001430300000000 ] - [ 0.0046351800000000, -0.0007210800000000, -0.0000648800000000 ] - [ 0.0051027600000000, -0.0008417200000000, -0.0000666000000000 ] - [ -0.0025024300000000, 0.0022936000000000, 0.0000893600000000 ] - [ -0.0018186100000000, 0.0016202200000000, 0.0002097100000000 ] - [ -0.0024094700000000, 0.0021801400000000, 0.0002571500000000 ] - [ 0.0047279900000000, 0.0007322600000000, -0.0002471100000000 ] - [ 0.0047112900000000, 0.0007252500000000, 0.0000419600000000 ] - [ 0.0053686300000000, 0.0008792100000000, -0.0000652200000000 ] - [ -0.0025003500000000, -0.0002773200000000, 0.0007142400000000 ] - [ -0.0028838900000000, -0.0003347600000000, -0.0000606800000000 ] - [ -0.0025259100000000, -0.0002962600000000, -0.0008419700000000 ] - [ -0.0055500800000000, 0.0014079800000000, 0.0001289000000000 ] - [ -0.0047083000000000, 0.0007910300000000, 0.0002837400000000 ] - [ -0.0047085600000000, 0.0008000900000000, -0.0001335000000000 ] - [ 0.0025558800000000, 0.0001074700000000, 0.0014142400000000 ] - [ 0.0028493300000000, -0.0001436800000000, 0.0000406100000000 ] - [ 0.0025544700000000, 0.0000801700000000, -0.0012716600000000 ] - [ 0.0007864000000000, 0.0007935300000000, 0.0005722900000000 ] - [ 0.0008157800000000, 0.0008163700000000, -0.0002845800000000 ] - [ 0.0273305800000000, 0.0222875000000000, -0.0008065300000000 ] - [ 0.0034605700000000, 0.0025496700000000, -0.0066359200000000 ] - [ -0.0000885900000000, -0.0000331900000000, 0.0002421800000000 ] - [ 0.0029083700000000, 0.0021707000000000, 0.0064625800000000 ] - [ -0.0026236200000000, 0.0002827800000000, 0.0006049300000000 ] - [ -0.0029160600000000, 0.0003443100000000, -0.0000505800000000 ] - [ -0.0026411300000000, 0.0003099700000000, -0.0007245000000000 ] - [ 0.0029192000000000, -0.0022188200000000, -0.0001450300000000 ] - [ 0.0022212200000000, -0.0017130200000000, -0.0002454900000000 ] - [ 0.0029710400000000, -0.0022599400000000, -0.0000053000000000 ] - [ 0.0020210000000000, 0.0002262400000000, -0.0003735300000000 ] - [ -0.0002129100000000, -0.0005164600000000, -0.0000697000000000 ] - [ -0.0001921900000000, -0.0005060900000000, -0.0003450600000000 ] - [ 0.0031255100000000, 0.0017564800000000, -0.0002753500000000 ] - [ 0.0021339100000000, 0.0014820500000000, -0.0002235800000000 ] - [ 0.0031523100000000, 0.0017873200000000, -0.0000275200000000 ] - [ 0.0003869700000000, -0.0004594600000000, 0.0003633800000000 ] - [ 0.0004285000000000, -0.0004831800000000, 0.0000280100000000 ] - [ -0.0002905400000000, 0.0015959100000000, 0.0003070000000000 ] - [ 0.0162291600000000, -0.0011538900000000, 0.0004991600000000 ] - [ 0.0160030000000000, -0.0007285300000000, -0.0015532100000000 ] - [ 0.0158570800000000, -0.0005775400000000, 0.0015427800000000 ] - [ -0.0003199500000000, 0.0048998900000000, 0.0000393000000000 ] - [ -0.0004262000000000, 0.0003011600000000, 0.0002722600000000 ] - [ -0.0004116300000000, 0.0003370000000000, -0.0002568000000000 ] - [ -0.0016008300000000, 0.0000470200000000, 0.0006084500000000 ] - [ -0.0002694400000000, 0.0008156800000000, 0.0000215500000000 ] - [ -0.0016341200000000, -0.0000931700000000, -0.0005589800000000 ] - [ 0.0002301800000000, 0.0000068400000000, 0.0000085500000000 ] - [ 0.0002292100000000, 0.0000035500000000, -0.0000568900000000 ] - [ 0.0006215500000000, 0.0000323300000000, -0.0000241400000000 ] - [ 0.0004086800000000, -0.0000299500000000, 0.0000051400000000 ] - [ 0.0002432600000000, -0.0000126800000000, -0.0000198100000000 ] - [ 0.0004059000000000, -0.0000313800000000, -0.0000315300000000 ] - [ 0.0063403300000000, 0.0000748500000000, -0.0002408400000000 ] - [ 0.0047433100000000, -0.0004782200000000, 0.0001907000000000 ] - [ 0.0062764700000000, 0.0002126900000000, 0.0005413000000000 ] - [ 0.0103240100000000, 0.0074980000000000, -0.0001208900000000 ] - [ 0.0168363500000000, 0.0008529300000000, -0.0017580700000000 ] - [ 0.0168731400000000, 0.0008816100000000, 0.0016471300000000 ] - [ 0.0126802200000000, -0.0044813400000000, 0.0012660200000000 ] - [ 0.0157731000000000, -0.0013784500000000, 0.0000717700000000 ] - [ 0.0130126700000000, -0.0042390800000000, -0.0009467200000000 ] - [ -0.0187533800000000, -0.0007325300000000, -0.0021822900000000 ] - [ -0.0185731400000000, -0.0006508000000000, 0.0020710000000000 ] - [ -0.0273614100000000, -0.0086579800000000, -0.0007042300000000 ] - [ -0.0224717800000000, 0.0067974000000000, 0.0014435300000000 ] - [ -0.0182273000000000, 0.0014233500000000, 0.0003696800000000 ] - [ -0.0220488500000000, 0.0065144500000000, -0.0009740900000000 ] - [ 0.0004660900000000, -0.0033445000000000, 0.0001232100000000 ] - [ -0.0014945900000000, -0.0006274900000000, -0.0006769500000000 ] - [ -0.0015132400000000, -0.0006709900000000, 0.0010424100000000 ] - [ -0.0065628400000000, 0.0002148000000000, -0.0002682200000000 ] - [ -0.0050377900000000, 0.0001873800000000, -0.0001424800000000 ] - [ -0.0064830800000000, 0.0001465400000000, -0.0000965900000000 ] - [ 0.0010636600000000, -0.0001609300000000, -0.0006298200000000 ] - [ 0.0010954000000000, -0.0001727200000000, 0.0002964800000000 ] - [ -0.0017438300000000, 0.0001600200000000, -0.0001613800000000 ] - [ -0.0057604700000000, -0.0002348300000000, -0.0003397500000000 ] - [ -0.0049348100000000, -0.0001814900000000, -0.0001447200000000 ] - [ -0.0057006000000000, -0.0001384800000000, -0.0000322300000000 ] - [ 0.0011982900000000, 0.0001138000000000, -0.0005402800000000 ] - [ 0.0012411200000000, 0.0001320300000000, 0.0002034300000000 ] - [ -0.0006054400000000, -0.0005127800000000, -0.0001948200000000 ] - [ 0.0336613200000000, 0.0057785200000000, -0.0073088200000000 ] - [ 0.0025941700000000, -0.0003950900000000, 0.0003326200000000 ] - [ 0.0327847700000000, 0.0050330100000000, 0.0070968200000000 ] - [ 0.0023977800000000, -0.0109684400000000, 0.0014295400000000 ] - [ 0.0012580900000000, 0.0019699600000000, -0.0077255400000000 ] - [ 0.0012911200000000, 0.0019232500000000, 0.0082087100000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031914900000000, 0.0022715400000000, 0.0000274200000000 ] - [ -0.0019456900000000, 0.0014912200000000, -0.0003565700000000 ] - [ -0.0019563900000000, 0.0015023200000000, -0.0000927300000000 ] - [ -0.0158202600000000, 0.0004861000000000, -0.0020218300000000 ] - [ -0.0155473100000000, 0.0001475200000000, 0.0000524400000000 ] - [ -0.0157244600000000, 0.0004570500000000, 0.0021944500000000 ] - [ -0.0159719700000000, -0.0005854500000000, 0.0008518000000000 ] - [ -0.0159687800000000, -0.0005900900000000, -0.0009528800000000 ] - [ -0.0163165500000000, -0.0009652300000000, 0.0002641700000000 ] - [ 0.0146166900000000, -0.0005916900000000, -0.0028958000000000 ] - [ 0.0152171400000000, -0.0001793900000000, -0.0001368300000000 ] - [ 0.0146965900000000, -0.0005776000000000, 0.0024522600000000 ] - [ -0.0019162100000000, -0.0019700500000000, 0.0003031800000000 ] - [ -0.0013591400000000, -0.0012689200000000, 0.0001224900000000 ] - [ -0.0017773800000000, -0.0017806300000000, 0.0002179100000000 ] - [ -0.0002720200000000, -0.0005419600000000, -0.0000160700000000 ] - [ -0.0002069100000000, -0.0004549200000000, 0.0002864800000000 ] - [ -0.0024841600000000, -0.0036139300000000, -0.0006140300000000 ] - [ -0.0048576200000000, 0.0099576100000000, 0.0071008500000000 ] - [ 0.0001410600000000, 0.0007840000000000, 0.0000165800000000 ] - [ -0.0046667700000000, 0.0097390900000000, -0.0069028100000000 ] - [ -0.0121337200000000, 0.0111978700000000, -0.0006328500000000 ] - [ -0.0007166600000000, 0.0012849900000000, -0.0007813900000000 ] - [ -0.0006980000000000, 0.0012371100000000, 0.0004781200000000 ] - [ 0.0019850000000000, 0.0022175600000000, -0.0002598000000000 ] - [ 0.0013225000000000, 0.0011818700000000, -0.0000894700000000 ] - [ 0.0020429100000000, 0.0022965700000000, -0.0000949900000000 ] - [ 0.0003877200000000, 0.0008401900000000, -0.0000056200000000 ] - [ -0.0000584600000000, 0.0000436900000000, -0.0002842400000000 ] - [ -0.0000415200000000, 0.0000686000000000, 0.0000289100000000 ] - [ -0.0020408000000000, 0.0013385500000000, 0.0001863600000000 ] - [ -0.0013223900000000, 0.0009889600000000, 0.0001107100000000 ] - [ -0.0019220400000000, 0.0012165800000000, 0.0000952900000000 ] - [ -0.0002498000000000, 0.0003896800000000, -0.0000263900000000 ] - [ -0.0001991700000000, 0.0003211100000000, 0.0002610300000000 ] - [ -0.0021425400000000, 0.0016504400000000, -0.0000679000000000 ] - [ 0.0900435900000000, 0.0088410200000000, -0.0008612100000000 ] - [ 0.0027176100000000, 0.0010244500000000, 0.0117543000000000 ] - [ 0.0027181000000000, 0.0010028400000000, -0.0114267200000000 ] - [ 0.0000183200000000, -0.0028900800000000, -0.0227684700000000 ] - [ 0.0077084600000000, 0.0016124000000000, 0.0001673300000000 ] - [ 0.0000182600000000, -0.0029079100000000, 0.0231498600000000 ] - [ 0.0028846600000000, -0.0003463300000000, -0.0000073200000000 ] - [ 0.0029037200000000, -0.0003538000000000, -0.0000867200000000 ] - [ 0.0024429000000000, -0.0002345900000000, -0.0000831900000000 ] - [ 0.0003684600000000, -0.0003858400000000, 0.0003426500000000 ] - [ -0.0003186000000000, 0.0002845600000000, 0.0002212400000000 ] - [ 0.0002763400000000, -0.0002733800000000, 0.0001755500000000 ] - [ 0.0028116300000000, 0.0003420600000000, 0.0000979800000000 ] - [ 0.0028284600000000, 0.0003492500000000, -0.0001926600000000 ] - [ 0.0021807700000000, 0.0001979900000000, -0.0000837500000000 ] - [ -0.0050186000000000, -0.0007927600000000, -0.0008507200000000 ] - [ -0.0046402700000000, -0.0007362600000000, -0.0000902200000000 ] - [ -0.0049940300000000, -0.0007746300000000, 0.0006785000000000 ] - [ -0.0020003600000000, -0.0003210000000000, 0.0000220900000000 ] - [ -0.0028312900000000, 0.0002921100000000, -0.0001407500000000 ] - [ -0.0028316400000000, 0.0002832300000000, 0.0002922800000000 ] - [ 0.0049611700000000, -0.0011731400000000, -0.0012528500000000 ] - [ 0.0046728700000000, -0.0009257700000000, 0.0001082600000000 ] - [ 0.0049598600000000, -0.0011449800000000, 0.0014092100000000 ] - [ 0.0013393200000000, 0.0011029300000000, -0.0001394100000000 ] - [ 0.0013101700000000, 0.0010811000000000, 0.0007139200000000 ] - [ -0.0246529100000000, -0.0199795100000000, 0.0012242500000000 ] - [ -0.0056098000000000, -0.0044875600000000, 0.0071465800000000 ] - [ -0.0020400500000000, -0.0018643400000000, 0.0001878400000000 ] - [ -0.0050526800000000, -0.0041029000000000, -0.0061015300000000 ] - [ -0.0048964700000000, 0.0007870600000000, -0.0007438800000000 ] - [ -0.0046085700000000, 0.0007267200000000, -0.0000983800000000 ] - [ -0.0048799800000000, 0.0007605600000000, 0.0005651600000000 ] - [ -0.0007559500000000, 0.0002994400000000, -0.0002857700000000 ] - [ -0.0000664100000000, -0.0002018300000000, -0.0001858300000000 ] - [ -0.0008071200000000, 0.0003380800000000, -0.0004227600000000 ] - [ -0.0041215200000000, -0.0021171500000000, -0.0000601300000000 ] - [ -0.0019253300000000, -0.0013878100000000, -0.0003597900000000 ] - [ -0.0019452600000000, -0.0013987000000000, -0.0000882300000000 ] - [ -0.0009599200000000, 0.0001609700000000, -0.0001535800000000 ] - [ 0.0000190900000000, 0.0004307500000000, -0.0002061000000000 ] - [ -0.0009858000000000, 0.0001320200000000, -0.0004009200000000 ] - [ 0.0017406300000000, -0.0014380100000000, 0.0000686100000000 ] - [ 0.0016986000000000, -0.0014143500000000, 0.0003999500000000 ] - [ 0.0023991100000000, -0.0034662900000000, 0.0001266800000000 ] - [ 0.0145654800000000, 0.0011469600000000, -0.0001490600000000 ] - [ 0.0147823500000000, 0.0007223200000000, 0.0018911000000000 ] - [ 0.0149274400000000, 0.0005729900000000, -0.0011828500000000 ] - [ 0.0003036400000000, -0.0048744300000000, 0.0000029600000000 ] - [ 0.0004303900000000, -0.0003002600000000, -0.0002309500000000 ] - [ 0.0004146900000000, -0.0003375600000000, 0.0002967500000000 ] - [ 0.0015844800000000, 0.0000262300000000, -0.0006078700000000 ] - [ 0.0002608600000000, -0.0008085200000000, 0.0000177200000000 ] - [ 0.0016131100000000, 0.0001685500000000, 0.0006413900000000 ] - [ -0.0002371600000000, -0.0000051600000000, -0.0000495200000000 ] - [ -0.0002353900000000, -0.0000046100000000, 0.0000154800000000 ] - [ -0.0006219500000000, -0.0000373000000000, -0.0000162300000000 ] - [ -0.0003950000000000, 0.0000320500000000, -0.0000455000000000 ] - [ -0.0002344900000000, 0.0000124800000000, -0.0000208000000000 ] - [ -0.0003946600000000, 0.0000293300000000, -0.0000084100000000 ] - [ -0.0003413700000000, 0.0003099300000000, 0.0005752500000000 ] - [ 0.0012576700000000, 0.0008939000000000, 0.0001452000000000 ] - [ -0.0002813800000000, 0.0001711300000000, -0.0002028900000000 ] - [ 0.0244692500000000, -0.0073643400000000, 0.0003271600000000 ] - [ 0.0180610800000000, -0.0008472500000000, 0.0019420000000000 ] - [ 0.0180251600000000, -0.0008751100000000, -0.0014153100000000 ] - [ 0.0221620200000000, 0.0044660000000000, -0.0014771600000000 ] - [ 0.0190895700000000, 0.0013719800000000, -0.0002824400000000 ] - [ 0.0218393700000000, 0.0042315000000000, 0.0007310500000000 ] - [ -0.0161296000000000, 0.0007275800000000, 0.0019429200000000 ] - [ -0.0163084600000000, 0.0006470400000000, -0.0022471600000000 ] - [ -0.0076399900000000, 0.0085239500000000, 0.0004836500000000 ] - [ -0.0124683900000000, -0.0067530800000000, -0.0012227800000000 ] - [ -0.0166739400000000, -0.0014168200000000, -0.0001566400000000 ] - [ -0.0128901000000000, -0.0064753600000000, 0.0011703200000000 ] - [ -0.0063973400000000, 0.0029117000000000, 0.0002150400000000 ] - [ -0.0044789000000000, 0.0001947000000000, 0.0010080900000000 ] - [ -0.0044594800000000, 0.0002373600000000, -0.0007038700000000 ] - [ 0.0005336200000000, 0.0002044600000000, -0.0000707700000000 ] - [ -0.0009808200000000, 0.0002365800000000, -0.0001941900000000 ] - [ 0.0004529200000000, 0.0002743500000000, -0.0002344900000000 ] - [ 0.0049216000000000, -0.0002639700000000, 0.0002852900000000 ] - [ 0.0048906000000000, -0.0002522000000000, -0.0006244700000000 ] - [ 0.0076848900000000, -0.0005809800000000, -0.0001746200000000 ] - [ -0.0002646200000000, -0.0001878800000000, -0.0000025500000000 ] - [ -0.0010835500000000, -0.0002432600000000, -0.0001897700000000 ] - [ -0.0003270600000000, -0.0002849500000000, -0.0002998900000000 ] - [ 0.0047867200000000, 0.0003113200000000, 0.0001975700000000 ] - [ 0.0047447000000000, 0.0002924600000000, -0.0005328900000000 ] - [ 0.0065629700000000, 0.0009298800000000, -0.0001406900000000 ] - [ -0.0273902700000000, -0.0061685300000000, 0.0079943900000000 ] - [ 0.0033858700000000, -0.0000278700000000, 0.0000059700000000 ] - [ -0.0265228800000000, -0.0054310400000000, -0.0071011900000000 ] - [ -0.0065114200000000, 0.0119870600000000, -0.0010770000000000 ] - [ -0.0072138800000000, -0.0015304300000000, 0.0080344700000000 ] - [ -0.0072492200000000, -0.0014838800000000, -0.0078414000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007954800000000, 0.0007827800000000, -0.0002581900000000 ] - [ -0.0010080300000000, 0.0009057500000000, -0.0001817500000000 ] - [ -0.0010144200000000, 0.0009085000000000, -0.0002362800000000 ] - [ -0.0154368000000000, -0.0001105800000000, 0.0006735100000000 ] - [ -0.0154015700000000, -0.0000755600000000, 0.0002193100000000 ] - [ -0.0154583500000000, -0.0001035700000000, -0.0002203600000000 ] - [ -0.0152149000000000, -0.0000100800000000, -0.0005148300000000 ] - [ -0.0152355900000000, 0.0000116000000000, 0.0000474400000000 ] - [ -0.0149408600000000, 0.0000750800000000, -0.0005044300000000 ] - [ 0.0156695200000000, 0.0001811800000000, 0.0007036700000000 ] - [ 0.0154352400000000, 0.0000853400000000, -0.0001827800000000 ] - [ 0.0156386400000000, 0.0001910700000000, -0.0010123300000000 ] - [ 0.0001048100000000, 0.0004190100000000, 0.0000138100000000 ] - [ -0.0002193800000000, 0.0000047700000000, 0.0000794500000000 ] - [ 0.0000554400000000, 0.0003249600000000, 0.0000335100000000 ] - [ 0.0007705900000000, 0.0006685100000000, 0.0001481500000000 ] - [ 0.0007408900000000, 0.0006303300000000, 0.0000406300000000 ] - [ 0.0013897800000000, 0.0015885900000000, 0.0002907500000000 ] - [ -0.0027966000000000, -0.0004301800000000, 0.0066753000000000 ] - [ 0.0010354800000000, -0.0012113500000000, -0.0001214800000000 ] - [ -0.0031772700000000, -0.0000334300000000, -0.0068173600000000 ] - [ -0.0011013800000000, -0.0038041800000000, -0.0000513500000000 ] - [ -0.0004138600000000, -0.0004074800000000, 0.0000867800000000 ] - [ -0.0004237800000000, -0.0004265400000000, -0.0002494800000000 ] - [ 0.0013151600000000, 0.0022112000000000, -0.0000867700000000 ] - [ 0.0009644100000000, 0.0010433800000000, -0.0001277400000000 ] - [ 0.0013796200000000, 0.0023395200000000, -0.0002560500000000 ] - [ -0.0001898900000000, 0.0015941500000000, -0.0000498400000000 ] - [ -0.0008315200000000, -0.0002384200000000, -0.0001339000000000 ] - [ -0.0008411100000000, -0.0002118900000000, -0.0000502900000000 ] - [ 0.0001833300000000, -0.0004488600000000, 0.0000599000000000 ] - [ -0.0002046100000000, -0.0000199600000000, 0.0000897100000000 ] - [ 0.0001176100000000, -0.0003749300000000, 0.0000680600000000 ] - [ 0.0007617100000000, -0.0005865500000000, 0.0001440100000000 ] - [ 0.0007357000000000, -0.0005537000000000, 0.0000410900000000 ] - [ 0.0015028400000000, -0.0011422600000000, 0.0001719800000000 ] - [ -0.0137759900000000, -0.0491946500000000, 0.0007224400000000 ] - [ -0.0053356500000000, -0.0001233000000000, -0.0025548000000000 ] - [ -0.0053578300000000, -0.0001236000000000, 0.0027426800000000 ] - [ 0.0072141800000000, -0.0018076100000000, 0.0089299000000000 ] - [ 0.0026815000000000, 0.0000569900000000, 0.0000722800000000 ] - [ 0.0071959100000000, -0.0018077700000000, -0.0088004400000000 ] - [ 0.0039572200000000, -0.0005495400000000, -0.0000801200000000 ] - [ 0.0039500200000000, -0.0005502100000000, -0.0001123400000000 ] - [ 0.0040705300000000, -0.0005733400000000, -0.0000500000000000 ] - [ -0.0007691000000000, 0.0013513000000000, 0.0001217600000000 ] - [ -0.0008718000000000, 0.0009348100000000, 0.0002283400000000 ] - [ -0.0006893400000000, 0.0013090800000000, 0.0003421200000000 ] - [ 0.0039617700000000, 0.0005538700000000, -0.0000517700000000 ] - [ 0.0039547100000000, 0.0005535200000000, -0.0001310300000000 ] - [ 0.0041086400000000, 0.0005748200000000, -0.0000509400000000 ] - [ -0.0035073800000000, -0.0005099800000000, 0.0001471500000000 ] - [ -0.0035648800000000, -0.0005013500000000, -0.0000719800000000 ] - [ -0.0035263000000000, -0.0005170800000000, -0.0002922100000000 ] - [ -0.0046331100000000, 0.0020424500000000, 0.0000608600000000 ] - [ -0.0040249500000000, 0.0014455900000000, -0.0006130400000000 ] - [ -0.0040160900000000, 0.0014456900000000, 0.0007752400000000 ] - [ 0.0031540000000000, 0.0004471500000000, 0.0010776800000000 ] - [ 0.0033739700000000, -0.0002686500000000, 0.0000864700000000 ] - [ 0.0031250000000000, 0.0004470300000000, -0.0009031900000000 ] - [ 0.0011072200000000, 0.0010039400000000, 0.0002966100000000 ] - [ 0.0011064700000000, 0.0010037400000000, 0.0000912700000000 ] - [ 0.0079519500000000, 0.0074100800000000, -0.0000835200000000 ] - [ 0.0000860900000000, -0.0018596200000000, -0.0036230900000000 ] - [ -0.0010534000000000, -0.0009973400000000, 0.0002099600000000 ] - [ -0.0002147400000000, -0.0019070800000000, 0.0036482700000000 ] - [ -0.0035131000000000, 0.0005011400000000, 0.0001151500000000 ] - [ -0.0035746500000000, 0.0005010200000000, -0.0000696100000000 ] - [ -0.0035402700000000, 0.0005124500000000, -0.0002655900000000 ] - [ 0.0010700500000000, -0.0008921400000000, -0.0002299000000000 ] - [ 0.0012447900000000, -0.0010204000000000, -0.0001949300000000 ] - [ 0.0010137100000000, -0.0008287200000000, -0.0002105900000000 ] - [ -0.0006997800000000, -0.0008587100000000, -0.0002548900000000 ] - [ -0.0010053100000000, -0.0009515800000000, -0.0001764600000000 ] - [ -0.0010091100000000, -0.0009559800000000, -0.0002358100000000 ] - [ 0.0009302000000000, 0.0008864200000000, -0.0001993000000000 ] - [ 0.0012671800000000, 0.0010382900000000, -0.0002015000000000 ] - [ 0.0008767200000000, 0.0008660200000000, -0.0002252000000000 ] - [ 0.0006352400000000, -0.0005550300000000, 0.0002870400000000 ] - [ 0.0006277500000000, -0.0005526400000000, 0.0001484500000000 ] - [ 0.0008849600000000, 0.0007148500000000, 0.0002254200000000 ] - [ 0.0151791600000000, -0.0000135700000000, 0.0000726300000000 ] - [ 0.0153634100000000, 0.0001882700000000, 0.0007318200000000 ] - [ 0.0153887200000000, 0.0001397000000000, -0.0004526100000000 ] - [ 0.0023189400000000, 0.0076287200000000, 0.0000355200000000 ] - [ -0.0000221900000000, 0.0002543100000000, 0.0000862400000000 ] - [ -0.0000169600000000, 0.0002627800000000, -0.0000444100000000 ] - [ -0.0007917400000000, 0.0064822500000000, -0.0048900100000000 ] - [ 0.0000795500000000, 0.0002698300000000, 0.0000233100000000 ] - [ -0.0009145100000000, 0.0070259900000000, 0.0051817700000000 ] - [ 0.0000467300000000, -0.0000031500000000, -0.0000141200000000 ] - [ 0.0000432100000000, -0.0000046900000000, -0.0000311800000000 ] - [ 0.0001358100000000, 0.0000027600000000, -0.0000220500000000 ] - [ 0.0000682100000000, 0.0000163800000000, -0.0000080700000000 ] - [ 0.0000653100000000, -0.0000002500000000, -0.0000206700000000 ] - [ 0.0000618000000000, 0.0000110300000000, -0.0000280400000000 ] - [ 0.0020157600000000, -0.0048352500000000, 0.0000156600000000 ] - [ 0.0027240700000000, -0.0007797700000000, 0.0001633900000000 ] - [ 0.0018620800000000, -0.0050213200000000, 0.0003748200000000 ] - [ 0.0169054000000000, 0.0006795400000000, 0.0000523000000000 ] - [ 0.0177170900000000, 0.0004667800000000, -0.0001836200000000 ] - [ 0.0178050000000000, 0.0004788200000000, 0.0002154800000000 ] - [ 0.0153452400000000, -0.0004387700000000, 0.0006467000000000 ] - [ 0.0166742600000000, 0.0000860200000000, 0.0000113500000000 ] - [ 0.0154343500000000, -0.0004307400000000, -0.0004625000000000 ] - [ -0.0177969400000000, -0.0004064200000000, -0.0008149500000000 ] - [ -0.0177062800000000, -0.0003903600000000, 0.0006140100000000 ] - [ -0.0211698300000000, -0.0025435500000000, -0.0002038500000000 ] - [ -0.0165103100000000, -0.0017298000000000, -0.0003423800000000 ] - [ -0.0182092600000000, 0.0000716300000000, 0.0002218300000000 ] - [ -0.0163463400000000, -0.0018418200000000, 0.0004079700000000 ] - [ -0.0024068300000000, -0.0063956500000000, 0.0001485600000000 ] - [ -0.0021908200000000, -0.0013050600000000, -0.0002529900000000 ] - [ -0.0021904900000000, -0.0013335600000000, 0.0005182700000000 ] - [ -0.0035013300000000, 0.0008119300000000, -0.0002642800000000 ] - [ -0.0034704200000000, 0.0003850300000000, -0.0001547600000000 ] - [ -0.0034290200000000, 0.0007821100000000, -0.0000739600000000 ] - [ 0.0026184400000000, -0.0000682000000000, -0.0003153300000000 ] - [ 0.0026424200000000, -0.0000774500000000, -0.0000159600000000 ] - [ 0.0019596900000000, 0.0002942800000000, -0.0001763500000000 ] - [ -0.0035582500000000, -0.0006735200000000, -0.0002280800000000 ] - [ -0.0034425400000000, -0.0003843500000000, -0.0001504600000000 ] - [ -0.0034733300000000, -0.0006465100000000, -0.0001031800000000 ] - [ 0.0026629000000000, 0.0000641800000000, -0.0002828200000000 ] - [ 0.0026911000000000, 0.0000744400000000, -0.0000410200000000 ] - [ 0.0021978800000000, -0.0002082700000000, -0.0001812600000000 ] - [ 0.0072723300000000, 0.0159762000000000, 0.0029792700000000 ] - [ 0.0027387700000000, 0.0008321900000000, 0.0001916800000000 ] - [ 0.0070424500000000, 0.0155140700000000, -0.0028915800000000 ] - [ -0.0042446200000000, 0.0069567700000000, 0.0004341400000000 ] - [ -0.0018233600000000, 0.0011667700000000, -0.0023236300000000 ] - [ -0.0018070400000000, 0.0011390800000000, 0.0026687100000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013363400000000, 0.0011188000000000, -0.0001727100000000 ] - [ -0.0011315200000000, 0.0009994100000000, -0.0002484000000000 ] - [ -0.0011239900000000, 0.0009972700000000, -0.0001948300000000 ] - [ -0.0153419100000000, 0.0001118400000000, -0.0003167200000000 ] - [ -0.0153777800000000, 0.0000768800000000, 0.0001278600000000 ] - [ -0.0153198400000000, 0.0001053200000000, 0.0005624100000000 ] - [ -0.0155610800000000, 0.0000152400000000, 0.0001629800000000 ] - [ -0.0155413900000000, -0.0000063300000000, -0.0003959400000000 ] - [ -0.0158358600000000, -0.0000669600000000, 0.0001580600000000 ] - [ 0.0151108500000000, -0.0001830300000000, -0.0010486900000000 ] - [ 0.0153436300000000, -0.0000869400000000, -0.0001679800000000 ] - [ 0.0151419500000000, -0.0001929600000000, 0.0006623400000000 ] - [ -0.0011830300000000, -0.0011191700000000, 0.0001912900000000 ] - [ -0.0008590900000000, -0.0007053800000000, 0.0001255800000000 ] - [ -0.0011333800000000, -0.0010248300000000, 0.0001733200000000 ] - [ 0.0003093700000000, 0.0000357300000000, 0.0000567600000000 ] - [ 0.0003405700000000, 0.0000745000000000, 0.0001633700000000 ] - [ -0.0003106500000000, -0.0008866900000000, -0.0000854200000000 ] - [ 0.0038344400000000, -0.0002884600000000, -0.0068092500000000 ] - [ 0.0000606100000000, 0.0004840500000000, -0.0000844700000000 ] - [ 0.0042083500000000, -0.0006729500000000, 0.0065423000000000 ] - [ 0.0000538400000000, 0.0044824800000000, -0.0001525800000000 ] - [ -0.0006751500000000, 0.0011251700000000, -0.0002909100000000 ] - [ -0.0006658300000000, 0.0011453300000000, 0.0000414900000000 ] - [ -0.0002410300000000, -0.0015150800000000, -0.0001162700000000 ] - [ 0.0001134700000000, -0.0003429700000000, -0.0000777000000000 ] - [ -0.0003075800000000, -0.0016469300000000, 0.0000480800000000 ] - [ -0.0008823500000000, -0.0022762900000000, -0.0001542600000000 ] - [ -0.0002462900000000, -0.0004653200000000, -0.0000694400000000 ] - [ -0.0002380000000000, -0.0004929900000000, -0.0001568000000000 ] - [ -0.0012621500000000, 0.0011533100000000, 0.0001461000000000 ] - [ -0.0008744800000000, 0.0007243000000000, 0.0001156000000000 ] - [ -0.0011964700000000, 0.0010792600000000, 0.0001380800000000 ] - [ 0.0003186400000000, -0.0001189200000000, 0.0000615100000000 ] - [ 0.0003451800000000, -0.0001528800000000, 0.0001639500000000 ] - [ -0.0004184900000000, 0.0004351300000000, 0.0000347500000000 ] - [ 0.0059032300000000, 0.0481618100000000, -0.0005480700000000 ] - [ -0.0022438800000000, -0.0009637300000000, 0.0026117500000000 ] - [ -0.0022224100000000, -0.0009640200000000, -0.0025012700000000 ] - [ 0.0002869800000000, 0.0028295400000000, -0.0087980000000000 ] - [ 0.0048383400000000, 0.0010098900000000, 0.0000783500000000 ] - [ 0.0003049700000000, 0.0028293800000000, 0.0089696600000000 ] - [ 0.0035755900000000, -0.0005230800000000, -0.0000706400000000 ] - [ 0.0035828100000000, -0.0005231600000000, -0.0000384800000000 ] - [ 0.0034635600000000, -0.0004999900000000, -0.0001001500000000 ] - [ -0.0013838300000000, 0.0005627900000000, 0.0003106300000000 ] - [ -0.0012728500000000, 0.0009752100000000, 0.0002020800000000 ] - [ -0.0014628500000000, 0.0006039300000000, 0.0000881000000000 ] - [ 0.0035717200000000, 0.0005189600000000, -0.0000977200000000 ] - [ 0.0035789500000000, 0.0005196400000000, -0.0000192000000000 ] - [ 0.0034274800000000, 0.0004988900000000, -0.0000981000000000 ] - [ -0.0040228700000000, -0.0005621000000000, -0.0002948800000000 ] - [ -0.0039663500000000, -0.0005711200000000, -0.0000791300000000 ] - [ -0.0040047600000000, -0.0005555900000000, 0.0001395900000000 ] - [ -0.0029042800000000, -0.0009676500000000, 0.0000893600000000 ] - [ -0.0035083200000000, -0.0003778300000000, 0.0007763800000000 ] - [ -0.0035174500000000, -0.0003777600000000, -0.0006369600000000 ] - [ 0.0043791400000000, -0.0015184100000000, -0.0009143300000000 ] - [ 0.0041559700000000, -0.0008037100000000, 0.0000626600000000 ] - [ 0.0044055800000000, -0.0015185500000000, 0.0010396700000000 ] - [ 0.0010212100000000, 0.0008916200000000, 0.0001358500000000 ] - [ 0.0010210600000000, 0.0008918800000000, 0.0003406200000000 ] - [ -0.0058265500000000, -0.0055003800000000, 0.0005178800000000 ] - [ -0.0022203600000000, -0.0000105500000000, 0.0040674400000000 ] - [ -0.0010676800000000, -0.0008925400000000, 0.0002200600000000 ] - [ -0.0019138200000000, 0.0000363400000000, -0.0032318500000000 ] - [ -0.0040175800000000, 0.0005714600000000, -0.0002637500000000 ] - [ -0.0039572600000000, 0.0005720400000000, -0.0000797400000000 ] - [ -0.0039909500000000, 0.0005602700000000, 0.0001152700000000 ] - [ 0.0010682100000000, -0.0010123500000000, -0.0002006100000000 ] - [ 0.0008958100000000, -0.0008857800000000, -0.0002359400000000 ] - [ 0.0011283300000000, -0.0010791400000000, -0.0002193100000000 ] - [ -0.0014290100000000, -0.0010402300000000, -0.0001778900000000 ] - [ -0.0011343700000000, -0.0009526700000000, -0.0002552500000000 ] - [ -0.0011296100000000, -0.0009485100000000, -0.0001965600000000 ] - [ 0.0012102100000000, 0.0010172100000000, -0.0002318100000000 ] - [ 0.0008738100000000, 0.0008668800000000, -0.0002281700000000 ] - [ 0.0012655800000000, 0.0010403600000000, -0.0002038100000000 ] - [ 0.0015089400000000, -0.0013546400000000, 0.0001434100000000 ] - [ 0.0015155500000000, -0.0013570600000000, 0.0002808200000000 ] - [ 0.0012682000000000, -0.0026180000000000, 0.0002056200000000 ] - [ 0.0156101100000000, 0.0000036500000000, 0.0002894300000000 ] - [ 0.0154169700000000, -0.0001879700000000, -0.0003749500000000 ] - [ 0.0153903200000000, -0.0001395700000000, 0.0007952000000000 ] - [ -0.0022640000000000, -0.0074814200000000, 0.0000072300000000 ] - [ 0.0000296600000000, -0.0002608600000000, -0.0000455800000000 ] - [ 0.0000236700000000, -0.0002710300000000, 0.0000850400000000 ] - [ 0.0008060900000000, -0.0065604400000000, 0.0050115400000000 ] - [ -0.0000887100000000, -0.0002608500000000, 0.0000160300000000 ] - [ 0.0009284000000000, -0.0071123900000000, -0.0052258000000000 ] - [ -0.0000543000000000, 0.0000053400000000, -0.0000275600000000 ] - [ -0.0000501600000000, 0.0000039200000000, -0.0000098900000000 ] - [ -0.0001416900000000, -0.0000071100000000, -0.0000186500000000 ] - [ -0.0000593300000000, -0.0000148000000000, -0.0000329300000000 ] - [ -0.0000589800000000, -0.0000001300000000, -0.0000201700000000 ] - [ -0.0000550200000000, -0.0000124900000000, -0.0000119500000000 ] - [ 0.0040059100000000, 0.0052793000000000, 0.0003119600000000 ] - [ 0.0032825800000000, 0.0012009900000000, 0.0001718400000000 ] - [ 0.0041578700000000, 0.0054690000000000, -0.0000289800000000 ] - [ 0.0179503700000000, -0.0006719700000000, 0.0001593500000000 ] - [ 0.0171691600000000, -0.0004758700000000, 0.0003864200000000 ] - [ 0.0170809000000000, -0.0004874500000000, 0.0000023300000000 ] - [ 0.0195283900000000, 0.0004147500000000, -0.0008581700000000 ] - [ 0.0181993400000000, -0.0001005400000000, -0.0002217900000000 ] - [ 0.0194402900000000, 0.0004082100000000, 0.0002535900000000 ] - [ -0.0170848100000000, 0.0004145100000000, 0.0005997300000000 ] - [ -0.0171755400000000, 0.0003989700000000, -0.0008200400000000 ] - [ -0.0137281400000000, 0.0025478600000000, -0.0000061000000000 ] - [ -0.0183678800000000, 0.0017373300000000, 0.0005467800000000 ] - [ -0.0166837200000000, -0.0000548500000000, -0.0000119600000000 ] - [ -0.0185236500000000, 0.0018410000000000, -0.0002111000000000 ] - [ -0.0036031500000000, 0.0059235900000000, 0.0001890300000000 ] - [ -0.0038131000000000, 0.0008863700000000, 0.0005768400000000 ] - [ -0.0038124400000000, 0.0009155300000000, -0.0001733800000000 ] - [ -0.0024999500000000, -0.0003844600000000, -0.0000706900000000 ] - [ -0.0025326500000000, 0.0000428900000000, -0.0001822900000000 ] - [ -0.0025741900000000, -0.0003543200000000, -0.0002609100000000 ] - [ 0.0033790600000000, -0.0003585400000000, -0.0000226200000000 ] - [ 0.0033555600000000, -0.0003494500000000, -0.0003190800000000 ] - [ 0.0040281500000000, -0.0007226000000000, -0.0001597200000000 ] - [ -0.0024397800000000, 0.0002454300000000, -0.0001108400000000 ] - [ -0.0025582700000000, -0.0000441800000000, -0.0001841800000000 ] - [ -0.0025284400000000, 0.0002192600000000, -0.0002321500000000 ] - [ 0.0033334300000000, 0.0003633200000000, -0.0000545200000000 ] - [ 0.0033056300000000, 0.0003523600000000, -0.0002939900000000 ] - [ 0.0037938300000000, 0.0006378800000000, -0.0001535000000000 ] - [ -0.0010592300000000, -0.0163350000000000, -0.0031656400000000 ] - [ 0.0032287900000000, -0.0012632700000000, 0.0001437600000000 ] - [ -0.0008400500000000, -0.0158827200000000, 0.0037303400000000 ] - [ -0.0017019800000000, -0.0065759400000000, -0.0001014200000000 ] - [ -0.0041501100000000, -0.0007338700000000, 0.0026547700000000 ] - [ -0.0041666200000000, -0.0007058900000000, -0.0023277300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011114900000000, 0.0009605700000000, -0.0004270800000000 ] - [ -0.0006259800000000, 0.0006695500000000, -0.0002257300000000 ] - [ -0.0015894900000000, 0.0012961600000000, 0.0000110200000000 ] - [ -0.0150486100000000, -0.0001010700000000, -0.0012547800000000 ] - [ -0.0153339400000000, -0.0000314200000000, 0.0025832800000000 ] - [ -0.0158124500000000, 0.0001570100000000, -0.0008147600000000 ] - [ -0.0169282800000000, -0.0012338400000000, 0.0052687900000000 ] - [ -0.0138458500000000, 0.0012433700000000, 0.0046829900000000 ] - [ -0.0154238200000000, -0.0001052300000000, -0.0101155400000000 ] - [ 0.0156250500000000, 0.0001650600000000, -0.0010292400000000 ] - [ 0.0153974200000000, -0.0000050900000000, 0.0018221600000000 ] - [ 0.0151023300000000, -0.0001757800000000, -0.0011729600000000 ] - [ -0.0028282300000000, -0.0030848200000000, 0.0004413400000000 ] - [ -0.0006939800000000, -0.0005617500000000, 0.0007785300000000 ] - [ 0.0017780700000000, 0.0024376400000000, -0.0008764800000000 ] - [ 0.0009574700000000, 0.0008711200000000, 0.0003627900000000 ] - [ 0.0001369000000000, -0.0001249300000000, 0.0001069400000000 ] - [ 0.0004137600000000, 0.0001846700000000, -0.0001808100000000 ] - [ -0.0213062800000000, 0.0318966000000000, 0.0073809400000000 ] - [ 0.0004868900000000, -0.0002056400000000, 0.0026108100000000 ] - [ 0.0222982700000000, -0.0319660900000000, 0.0064247900000000 ] - [ -0.0008430000000000, 0.0007380900000000, -0.0023245500000000 ] - [ 0.0022278200000000, -0.0026803600000000, 0.0010379200000000 ] - [ -0.0032396700000000, 0.0032080700000000, 0.0009286800000000 ] - [ 0.0011537200000000, 0.0016648300000000, -0.0006855200000000 ] - [ 0.0005074000000000, 0.0002910800000000, 0.0008779900000000 ] - [ 0.0001796200000000, -0.0005349500000000, -0.0001771200000000 ] - [ -0.0005687100000000, -0.0004394500000000, -0.0009436600000000 ] - [ -0.0000519600000000, -0.0003200300000000, 0.0002855100000000 ] - [ -0.0009883300000000, -0.0002676100000000, 0.0003841700000000 ] - [ -0.0033467300000000, 0.0018580900000000, 0.0000523100000000 ] - [ -0.0006844800000000, 0.0005383000000000, 0.0006936900000000 ] - [ 0.0022724700000000, -0.0012067200000000, -0.0004567900000000 ] - [ 0.0009481700000000, -0.0006007600000000, 0.0003057500000000 ] - [ 0.0001414400000000, -0.0001386700000000, 0.0001887000000000 ] - [ 0.0004386200000000, -0.0002451700000000, -0.0001965900000000 ] - [ -0.0013932100000000, 0.0001583700000000, -0.2242616200000000 ] - [ 0.0078231300000000, 0.0021089600000000, 0.0356140600000000 ] - [ -0.0153830400000000, -0.0030956500000000, 0.0353390900000000 ] - [ 0.0271162500000000, 0.0094891200000000, 0.0199101900000000 ] - [ 0.0038784200000000, 0.0005452200000000, 0.0126658100000000 ] - [ -0.0190425400000000, -0.0082606800000000, 0.0198757500000000 ] - [ 0.0036878600000000, -0.0005293300000000, 0.0009443600000000 ] - [ 0.0037669900000000, -0.0004978800000000, 0.0010796200000000 ] - [ 0.0037592000000000, -0.0005581600000000, -0.0022455100000000 ] - [ -0.0011867600000000, -0.0010673800000000, 0.0000324800000000 ] - [ -0.0009399500000000, 0.0008568400000000, 0.0008590500000000 ] - [ -0.0008924800000000, 0.0029664500000000, -0.0001989900000000 ] - [ 0.0035833800000000, 0.0005571800000000, 0.0012814700000000 ] - [ 0.0038735400000000, 0.0004787500000000, 0.0014025300000000 ] - [ 0.0037590700000000, 0.0005563100000000, -0.0028952600000000 ] - [ -0.0045620400000000, -0.0007600700000000, -0.0007058000000000 ] - [ -0.0037907600000000, -0.0005422500000000, 0.0010846800000000 ] - [ -0.0030194500000000, -0.0003231600000000, -0.0006029100000000 ] - [ -0.0036915000000000, 0.0005435600000000, -0.0057421800000000 ] - [ -0.0039687400000000, -0.0001697800000000, 0.0034515500000000 ] - [ -0.0035442000000000, 0.0012306700000000, 0.0034648700000000 ] - [ 0.0051194100000000, -0.0015167800000000, -0.0012927300000000 ] - [ 0.0038105800000000, -0.0005285000000000, 0.0026515400000000 ] - [ 0.0024449000000000, 0.0004509000000000, -0.0012424800000000 ] - [ 0.0048675200000000, 0.0037110100000000, 0.0006587300000000 ] - [ -0.0027179900000000, -0.0018223000000000, 0.0008658900000000 ] - [ 0.0007060400000000, 0.0007063000000000, 0.0000216700000000 ] - [ -0.0278043700000000, -0.0197684900000000, -0.0003412500000000 ] - [ -0.0010466500000000, -0.0009385500000000, 0.0019355100000000 ] - [ 0.0245428800000000, 0.0171205700000000, 0.0005361600000000 ] - [ -0.0044533700000000, 0.0007287200000000, -0.0006220500000000 ] - [ -0.0038004700000000, 0.0005440000000000, 0.0009143200000000 ] - [ -0.0031343000000000, 0.0003486900000000, -0.0005073300000000 ] - [ -0.0019820400000000, 0.0011303200000000, -0.0011680400000000 ] - [ 0.0010703000000000, -0.0009683600000000, 0.0005906600000000 ] - [ 0.0039478200000000, -0.0029616800000000, 0.0000517900000000 ] - [ -0.0011199300000000, -0.0009589400000000, -0.0004276600000000 ] - [ -0.0005241700000000, -0.0007736900000000, -0.0001866700000000 ] - [ -0.0016927000000000, -0.0011865700000000, -0.0000172800000000 ] - [ -0.0025766400000000, -0.0003430000000000, -0.0009358700000000 ] - [ 0.0010967800000000, 0.0009809300000000, 0.0004256900000000 ] - [ 0.0046637200000000, 0.0021967000000000, -0.0002283500000000 ] - [ 0.0016535000000000, -0.0008835700000000, 0.0003496300000000 ] - [ 0.0004507300000000, -0.0009850800000000, 0.0003399500000000 ] - [ 0.0011080500000000, -0.0010234400000000, -0.0000540900000000 ] - [ 0.0157287300000000, -0.0001260700000000, -0.0119715300000000 ] - [ 0.0141274300000000, 0.0016522000000000, 0.0065990200000000 ] - [ 0.0163101800000000, -0.0012092800000000, 0.0067796500000000 ] - [ -0.0000658500000000, -0.0001136500000000, -0.0008597800000000 ] - [ 0.0003469800000000, 0.0012574600000000, 0.0005032300000000 ] - [ -0.0002758700000000, -0.0012840600000000, 0.0005039800000000 ] - [ 0.0017029400000000, -0.0121380300000000, 0.0041270400000000 ] - [ 0.0000026800000000, 0.0000350000000000, 0.0014680500000000 ] - [ -0.0017189600000000, 0.0126652600000000, 0.0043436600000000 ] - [ 0.0000212000000000, -0.0000250200000000, 0.0000404400000000 ] - [ -0.0000336800000000, 0.0000265700000000, 0.0000470600000000 ] - [ -0.0000305200000000, -0.0000022000000000, -0.0001529500000000 ] - [ -0.0005046300000000, 0.0000703800000000, -0.0001120100000000 ] - [ -0.0000059300000000, -0.0000033500000000, 0.0001339600000000 ] - [ 0.0004983200000000, -0.0000726000000000, -0.0000828900000000 ] - [ 0.0023365300000000, 0.0064610200000000, 0.0026088200000000 ] - [ 0.0028854000000000, 0.0002161800000000, -0.0048293700000000 ] - [ 0.0033469000000000, -0.0063449800000000, 0.0025755100000000 ] - [ 0.0175668600000000, -0.0001766900000000, 0.0029356900000000 ] - [ 0.0144396200000000, 0.0018593200000000, -0.0011189600000000 ] - [ 0.0205591100000000, -0.0018450900000000, -0.0014748800000000 ] - [ 0.0322281700000000, 0.0123460000000000, 0.0037180000000000 ] - [ 0.0178706900000000, 0.0002629200000000, -0.0083740800000000 ] - [ 0.0026601900000000, -0.0121308500000000, 0.0044666200000000 ] - [ -0.0198454900000000, -0.0015558800000000, -0.0011915600000000 ] - [ -0.0150673900000000, 0.0015173300000000, -0.0010125900000000 ] - [ -0.0171201300000000, 0.0002034800000000, 0.0020868200000000 ] - [ -0.0008423500000000, -0.0168321500000000, 0.0048485000000000 ] - [ -0.0173836400000000, 0.0000434500000000, -0.0097442000000000 ] - [ -0.0338643900000000, 0.0161715000000000, 0.0050715900000000 ] - [ -0.0030469700000000, -0.0000686000000000, 0.0038249700000000 ] - [ -0.0039225200000000, -0.0009428300000000, -0.0016408700000000 ] - [ -0.0021113200000000, 0.0004257900000000, -0.0017293700000000 ] - [ 0.0013451000000000, -0.0001226600000000, 0.0010018500000000 ] - [ -0.0028791100000000, 0.0001606400000000, -0.0023622900000000 ] - [ -0.0072899600000000, 0.0005376900000000, 0.0008385800000000 ] - [ 0.0026444300000000, -0.0001253900000000, -0.0009213100000000 ] - [ 0.0034516300000000, -0.0002387200000000, -0.0010052000000000 ] - [ 0.0031044000000000, -0.0002784500000000, 0.0014149300000000 ] - [ -0.0002290100000000, -0.0000439900000000, 0.0007233700000000 ] - [ -0.0028651400000000, -0.0001682400000000, -0.0017706500000000 ] - [ -0.0057252100000000, -0.0003690800000000, 0.0005439500000000 ] - [ 0.0027316000000000, 0.0001728500000000, -0.0007803200000000 ] - [ 0.0033624400000000, 0.0001867200000000, -0.0008693200000000 ] - [ 0.0030906500000000, 0.0002930900000000, 0.0011338300000000 ] - [ -0.0157139200000000, -0.0066660800000000, 0.0542847600000000 ] - [ 0.0029691700000000, -0.0003257300000000, -0.0306212800000000 ] - [ 0.0185765000000000, 0.0042698900000000, 0.0440222700000000 ] - [ -0.0015874900000000, 0.0005867100000000, 0.0268946200000000 ] - [ -0.0098627000000000, -0.0020504100000000, -0.0118325400000000 ] - [ 0.0038274100000000, 0.0027415100000000, -0.0121013300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010856000000000, 0.0009799800000000, 0.0000030200000000 ] - [ -0.0015365300000000, 0.0012487800000000, -0.0002093400000000 ] - [ -0.0005722900000000, 0.0006230600000000, -0.0004391700000000 ] - [ -0.0157430700000000, 0.0001096100000000, 0.0015449400000000 ] - [ -0.0154485300000000, 0.0000320300000000, -0.0022396800000000 ] - [ -0.0149758000000000, -0.0001486500000000, 0.0012192500000000 ] - [ -0.0138674200000000, 0.0012120400000000, -0.0055910400000000 ] - [ -0.0169531700000000, -0.0012670100000000, -0.0050822900000000 ] - [ -0.0153790300000000, 0.0000756400000000, 0.0097417200000000 ] - [ 0.0151371900000000, -0.0001752200000000, 0.0006181100000000 ] - [ 0.0153788700000000, 0.0000040000000000, -0.0021726300000000 ] - [ 0.0156615600000000, 0.0001653200000000, 0.0008860000000000 ] - [ 0.0017115400000000, 0.0023354200000000, -0.0002336400000000 ] - [ -0.0004099700000000, -0.0001709200000000, -0.0005758600000000 ] - [ -0.0028965800000000, -0.0031901600000000, 0.0010854500000000 ] - [ 0.0001057800000000, -0.0001830100000000, -0.0001615200000000 ] - [ 0.0009290700000000, 0.0008156000000000, 0.0001017400000000 ] - [ 0.0006044100000000, 0.0004423900000000, 0.0003722400000000 ] - [ 0.0221368700000000, -0.0321401400000000, -0.0076261300000000 ] - [ 0.0005813800000000, -0.0004683700000000, -0.0028126600000000 ] - [ -0.0214864400000000, 0.0317504700000000, -0.0065673000000000 ] - [ -0.0004776300000000, 0.0001726000000000, 0.0021084400000000 ] - [ -0.0033011800000000, 0.0033788800000000, -0.0012583800000000 ] - [ 0.0021675600000000, -0.0025113400000000, -0.0011222400000000 ] - [ -0.0000258400000000, -0.0009049500000000, 0.0004734000000000 ] - [ 0.0005972500000000, 0.0004401700000000, -0.0010841500000000 ] - [ 0.0009429400000000, 0.0012856600000000, -0.0000263600000000 ] - [ -0.0005131300000000, -0.0002700200000000, 0.0007396400000000 ] - [ -0.0010259500000000, -0.0003823900000000, -0.0004991300000000 ] - [ -0.0000896200000000, -0.0004340400000000, -0.0005847400000000 ] - [ 0.0022284500000000, -0.0011243800000000, 0.0001521300000000 ] - [ -0.0004168300000000, 0.0001855200000000, -0.0004894900000000 ] - [ -0.0033934900000000, 0.0019433400000000, 0.0006649700000000 ] - [ 0.0001165900000000, -0.0000888000000000, -0.0001043500000000 ] - [ 0.0009249200000000, -0.0005536700000000, 0.0000199800000000 ] - [ 0.0005824800000000, -0.0004171800000000, 0.0003981100000000 ] - [ -0.0032233200000000, -0.0011145200000000, 0.2242732800000000 ] - [ -0.0152024400000000, -0.0031351900000000, -0.0351955500000000 ] - [ 0.0080052700000000, 0.0020711100000000, -0.0354710600000000 ] - [ -0.0192748900000000, -0.0082823000000000, -0.0197245700000000 ] - [ 0.0036924800000000, 0.0005391400000000, -0.0125168700000000 ] - [ 0.0268862200000000, 0.0094684700000000, -0.0197593000000000 ] - [ 0.0038234500000000, -0.0005391700000000, -0.0010965500000000 ] - [ 0.0037445500000000, -0.0005717100000000, -0.0012298100000000 ] - [ 0.0037420300000000, -0.0005081300000000, 0.0020956100000000 ] - [ -0.0009064600000000, 0.0029353200000000, 0.0003979000000000 ] - [ -0.0011731700000000, 0.0010272700000000, -0.0004292800000000 ] - [ -0.0011969100000000, -0.0011035300000000, 0.0006343100000000 ] - [ 0.0039281500000000, 0.0005113900000000, -0.0014319000000000 ] - [ 0.0036383400000000, 0.0005904300000000, -0.0015527300000000 ] - [ 0.0037402900000000, 0.0005093000000000, 0.0027466900000000 ] - [ -0.0029964100000000, -0.0003180900000000, 0.0005359300000000 ] - [ -0.0037609300000000, -0.0005352100000000, -0.0012370400000000 ] - [ -0.0045394600000000, -0.0007551100000000, 0.0004713900000000 ] - [ -0.0037979200000000, 0.0005151200000000, 0.0058915800000000 ] - [ -0.0035427200000000, 0.0012423500000000, -0.0033151800000000 ] - [ -0.0039681300000000, -0.0001586200000000, -0.0033019900000000 ] - [ 0.0024384100000000, 0.0004258100000000, 0.0013914100000000 ] - [ 0.0037425500000000, -0.0005523100000000, -0.0025028700000000 ] - [ 0.0051115700000000, -0.0015410000000000, 0.0014416800000000 ] - [ -0.0027058300000000, -0.0017905800000000, -0.0002325100000000 ] - [ 0.0048792600000000, 0.0037432200000000, -0.0004285600000000 ] - [ 0.0009860100000000, 0.0008338300000000, 0.0004265800000000 ] - [ 0.0252084300000000, 0.0175411400000000, 0.0006936200000000 ] - [ -0.0011155600000000, -0.0009873100000000, -0.0015100200000000 ] - [ -0.0271344600000000, -0.0193429800000000, -0.0000570500000000 ] - [ -0.0031041400000000, 0.0003498300000000, 0.0004556400000000 ] - [ -0.0037520200000000, 0.0005338500000000, -0.0010650100000000 ] - [ -0.0044235400000000, 0.0007296700000000, 0.0003738900000000 ] - [ 0.0040792600000000, -0.0030063500000000, 0.0007374300000000 ] - [ 0.0010453600000000, -0.0009211700000000, -0.0010205800000000 ] - [ -0.0018441300000000, 0.0010819700000000, -0.0004842700000000 ] - [ -0.0010983200000000, -0.0009786700000000, 0.0000002000000000 ] - [ -0.0016368900000000, -0.0011430700000000, -0.0002497100000000 ] - [ -0.0004678200000000, -0.0007308700000000, -0.0004118100000000 ] - [ 0.0046824300000000, 0.0022302900000000, 0.0005016700000000 ] - [ 0.0010213500000000, 0.0009140200000000, -0.0008556800000000 ] - [ -0.0025559000000000, -0.0003056800000000, -0.0001991700000000 ] - [ 0.0004935100000000, -0.0010255800000000, 0.0000764100000000 ] - [ 0.0016947900000000, -0.0009235200000000, 0.0000944600000000 ] - [ 0.0010329200000000, -0.0009299200000000, 0.0004844300000000 ] - [ 0.0150450300000000, 0.0001343400000000, 0.0123703000000000 ] - [ 0.0166449000000000, -0.0016355500000000, -0.0061913500000000 ] - [ 0.0144618200000000, 0.0012220200000000, -0.0064531900000000 ] - [ 0.0000344100000000, -0.0000630700000000, 0.0009011800000000 ] - [ -0.0003334700000000, -0.0012585400000000, -0.0004694400000000 ] - [ 0.0002879900000000, 0.0012818300000000, -0.0004575400000000 ] - [ -0.0016724900000000, 0.0120832800000000, -0.0041029900000000 ] - [ -0.0000025500000000, -0.0000518500000000, -0.0014296400000000 ] - [ 0.0017466800000000, -0.0127292600000000, -0.0042894700000000 ] - [ -0.0000359500000000, 0.0000271900000000, -0.0000834800000000 ] - [ 0.0000196200000000, -0.0000270800000000, -0.0000874600000000 ] - [ 0.0000073200000000, -0.0000018600000000, 0.0001121200000000 ] - [ 0.0005066700000000, -0.0000698100000000, 0.0000696800000000 ] - [ 0.0000077900000000, 0.0000022300000000, -0.0001753400000000 ] - [ -0.0004990400000000, 0.0000696000000000, 0.0000430300000000 ] - [ 0.0035655500000000, -0.0060582100000000, -0.0022451600000000 ] - [ 0.0030608500000000, 0.0002196100000000, 0.0051651500000000 ] - [ 0.0025528800000000, 0.0067574900000000, -0.0022671800000000 ] - [ 0.0175014500000000, 0.0000294100000000, -0.0027215700000000 ] - [ 0.0204596000000000, -0.0018597200000000, 0.0013775900000000 ] - [ 0.0143386700000000, 0.0018450200000000, 0.0016424000000000 ] - [ 0.0028155800000000, -0.0121745300000000, -0.0039139500000000 ] - [ 0.0170470300000000, -0.0002253600000000, 0.0081776500000000 ] - [ 0.0323845900000000, 0.0123008600000000, -0.0046459600000000 ] - [ -0.0150146000000000, 0.0015565900000000, 0.0010290400000000 ] - [ -0.0197977300000000, -0.0015184400000000, 0.0007527200000000 ] - [ -0.0175468300000000, -0.0000489700000000, -0.0022871100000000 ] - [ -0.0339412600000000, 0.0166777700000000, -0.0046819500000000 ] - [ -0.0174877900000000, -0.0000793200000000, 0.0099334900000000 ] - [ -0.0009069500000000, -0.0163360800000000, -0.0049162200000000 ] - [ -0.0029874300000000, -0.0002269400000000, -0.0034868600000000 ] - [ -0.0020972800000000, 0.0005171800000000, 0.0020095300000000 ] - [ -0.0039076500000000, -0.0008513000000000, 0.0020296900000000 ] - [ -0.0072765900000000, 0.0005420800000000, -0.0013292400000000 ] - [ -0.0030737500000000, 0.0002640200000000, 0.0020254800000000 ] - [ 0.0013577700000000, -0.0001211500000000, -0.0011828000000000 ] - [ 0.0033954000000000, -0.0003005300000000, 0.0005968300000000 ] - [ 0.0025877700000000, -0.0001872400000000, 0.0006566000000000 ] - [ 0.0030005300000000, -0.0001511000000000, -0.0017525600000000 ] - [ -0.0057065400000000, -0.0003768200000000, -0.0010564300000000 ] - [ -0.0030883400000000, -0.0002541000000000, 0.0014359500000000 ] - [ -0.0002140900000000, -0.0000480100000000, -0.0008854800000000 ] - [ 0.0033086400000000, 0.0002536400000000, 0.0004533600000000 ] - [ 0.0026770900000000, 0.0002390000000000, 0.0005238000000000 ] - [ 0.0029933600000000, 0.0001426800000000, -0.0014693900000000 ] - [ 0.0200234700000000, 0.0058292900000000, -0.0481102700000000 ] - [ 0.0030246900000000, -0.0000892500000000, 0.0309615600000000 ] - [ -0.0141700700000000, -0.0050910700000000, -0.0492887500000000 ] - [ -0.0034139200000000, 0.0003462500000000, -0.0265893900000000 ] - [ 0.0038040500000000, 0.0024611600000000, 0.0122657600000000 ] - [ -0.0098908000000000, -0.0023305100000000, 0.0123431900000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006100500000000, 0.0006325200000000, -0.0003176100000000 ] - [ -0.0010347800000000, 0.0009299900000000, -0.0001277900000000 ] - [ -0.0010306900000000, 0.0009296000000000, -0.0002642800000000 ] - [ -0.0153695700000000, 0.0000000000000000, 0.0013082900000000 ] - [ -0.0154339800000000, 0.0000000000000000, 0.0002025100000000 ] - [ -0.0154024400000000, 0.0000000000000000, -0.0008799300000000 ] - [ -0.0152807300000000, 0.0000000000000000, -0.0002858900000000 ] - [ -0.0152734600000000, 0.0000000000000000, -0.0000626900000000 ] - [ -0.0152243100000000, 0.0000000000000000, -0.0002100900000000 ] - [ 0.0155145800000000, 0.0000000000000000, 0.0011043700000000 ] - [ 0.0153223300000000, 0.0000000000000000, -0.0002409000000000 ] - [ 0.0154477000000000, 0.0000000000000000, -0.0016332600000000 ] - [ -0.0002035600000000, -0.0001252700000000, 0.0001045800000000 ] - [ -0.0003417400000000, -0.0001871800000000, 0.0000987300000000 ] - [ -0.0001809800000000, -0.0000997800000000, 0.0000610400000000 ] - [ 0.0006376300000000, 0.0004811100000000, 0.0001638300000000 ] - [ 0.0006274000000000, 0.0004676900000000, -0.0000144400000000 ] - [ 0.0027730700000000, 0.0023104400000000, 0.0002968000000000 ] - [ 0.0016419600000000, 0.0009093100000000, -0.0012739800000000 ] - [ 0.0005290600000000, -0.0002849700000000, -0.0001153600000000 ] - [ 0.0015637600000000, 0.0013683000000000, 0.0012266800000000 ] - [ 0.0021925100000000, -0.0040490300000000, 0.0000441500000000 ] - [ -0.0008968500000000, 0.0007488000000000, -0.0000570300000000 ] - [ -0.0009112600000000, 0.0007604900000000, -0.0001462500000000 ] - [ 0.0016419600000000, -0.0009093100000000, -0.0012739800000000 ] - [ 0.0005290600000000, 0.0002849700000000, -0.0001153600000000 ] - [ 0.0015637600000000, -0.0013683000000000, 0.0012266800000000 ] - [ 0.0021925100000000, 0.0040490300000000, 0.0000441500000000 ] - [ -0.0008968500000000, -0.0007488000000000, -0.0000570300000000 ] - [ -0.0009112600000000, -0.0007604900000000, -0.0001462500000000 ] - [ -0.0002035600000000, 0.0001252700000000, 0.0001045800000000 ] - [ -0.0003417400000000, 0.0001871800000000, 0.0000987300000000 ] - [ -0.0001809800000000, 0.0000997800000000, 0.0000610400000000 ] - [ 0.0006376300000000, -0.0004811100000000, 0.0001638300000000 ] - [ 0.0006274000000000, -0.0004676900000000, -0.0000144400000000 ] - [ 0.0027730700000000, -0.0023104400000000, 0.0002968000000000 ] - [ -0.0040772900000000, 0.0017440400000000, 0.0000254100000000 ] - [ -0.0041762500000000, -0.0005559500000000, -0.0002049000000000 ] - [ -0.0041914200000000, -0.0005617300000000, 0.0004132900000000 ] - [ 0.0021456900000000, -0.0003717600000000, 0.0017905400000000 ] - [ 0.0035035400000000, 0.0006218500000000, 0.0000722200000000 ] - [ 0.0021759100000000, -0.0002494300000000, -0.0015952300000000 ] - [ 0.0039988300000000, -0.0005864000000000, -0.0000461900000000 ] - [ 0.0039976600000000, -0.0005829000000000, -0.0001027100000000 ] - [ 0.0043876500000000, -0.0006746000000000, -0.0000936600000000 ] - [ -0.0006953000000000, 0.0006600800000000, 0.0002455000000000 ] - [ -0.0009597200000000, 0.0008765000000000, 0.0002257800000000 ] - [ -0.0006184100000000, 0.0005951000000000, 0.0002107200000000 ] - [ 0.0039988300000000, 0.0005864000000000, -0.0000461900000000 ] - [ 0.0039976600000000, 0.0005829000000000, -0.0001027100000000 ] - [ 0.0043876500000000, 0.0006746000000000, -0.0000936600000000 ] - [ -0.0033662000000000, -0.0004731100000000, 0.0004318600000000 ] - [ -0.0035294100000000, -0.0004745100000000, -0.0000688400000000 ] - [ -0.0033679700000000, -0.0004786300000000, -0.0005748200000000 ] - [ -0.0040772900000000, -0.0017440400000000, 0.0000254100000000 ] - [ -0.0041762500000000, 0.0005559500000000, -0.0002049000000000 ] - [ -0.0041914200000000, 0.0005617300000000, 0.0004132900000000 ] - [ 0.0021456900000000, 0.0003717600000000, 0.0017905400000000 ] - [ 0.0035035400000000, -0.0006218500000000, 0.0000722200000000 ] - [ 0.0021759100000000, 0.0002494300000000, -0.0015952300000000 ] - [ 0.0005443700000000, 0.0007099800000000, 0.0003202000000000 ] - [ 0.0005325200000000, 0.0007065300000000, 0.0001008000000000 ] - [ 0.0131214900000000, -0.0026388300000000, -0.0003461000000000 ] - [ -0.0006953000000000, -0.0006600800000000, 0.0002455000000000 ] - [ -0.0009597200000000, -0.0008765000000000, 0.0002257800000000 ] - [ -0.0006184100000000, -0.0005951000000000, 0.0002107200000000 ] - [ -0.0033662000000000, 0.0004731100000000, 0.0004318600000000 ] - [ -0.0035294100000000, 0.0004745100000000, -0.0000688400000000 ] - [ -0.0033679700000000, 0.0004786300000000, -0.0005748200000000 ] - [ 0.0019487600000000, -0.0014275500000000, -0.0002137000000000 ] - [ 0.0014612200000000, -0.0011865100000000, -0.0002148700000000 ] - [ 0.0019503900000000, -0.0014448800000000, -0.0001198700000000 ] - [ -0.0006100500000000, -0.0006325200000000, -0.0003176100000000 ] - [ -0.0010347800000000, -0.0009299900000000, -0.0001277900000000 ] - [ -0.0010306900000000, -0.0009296000000000, -0.0002642800000000 ] - [ 0.0019487600000000, 0.0014275500000000, -0.0002137000000000 ] - [ 0.0014612200000000, 0.0011865100000000, -0.0002148700000000 ] - [ 0.0019503900000000, 0.0014448800000000, -0.0001198700000000 ] - [ 0.0005443700000000, -0.0007099800000000, 0.0003202000000000 ] - [ 0.0005325200000000, -0.0007065300000000, 0.0001008000000000 ] - [ 0.0131214900000000, 0.0026388300000000, -0.0003461000000000 ] - [ 0.0166033600000000, 0.0000000000000000, 0.0003774900000000 ] - [ 0.0155342800000000, 0.0000000000000000, -0.0003393400000000 ] - [ 0.0155374700000000, 0.0000000000000000, 0.0006242900000000 ] - [ -0.0466544200000000, 0.0000000000000000, 0.0007428400000000 ] - [ -0.0002667800000000, 0.0000000000000000, -0.0001758200000000 ] - [ -0.0002673300000000, 0.0000000000000000, 0.0002292400000000 ] - [ -0.0001589100000000, 0.0000000000000000, -0.0000824000000000 ] - [ -0.0000295800000000, 0.0000000000000000, 0.0000225600000000 ] - [ -0.0001604600000000, 0.0000000000000000, 0.0001302900000000 ] - [ 0.0000367400000000, 0.0000000000000000, 0.0000049500000000 ] - [ 0.0000368900000000, 0.0000000000000000, -0.0000458300000000 ] - [ 0.0001888500000000, 0.0000000000000000, -0.0000221100000000 ] - [ 0.0001656700000000, 0.0000000000000000, 0.0000136600000000 ] - [ 0.0000696800000000, 0.0000000000000000, -0.0000197400000000 ] - [ 0.0001590700000000, 0.0000000000000000, -0.0000438200000000 ] - [ 0.0037636000000000, 0.0014256000000000, 0.0011214200000000 ] - [ 0.0030975700000000, 0.0003254300000000, 0.0001354700000000 ] - [ 0.0038655200000000, 0.0016296900000000, -0.0007688800000000 ] - [ 0.0158996300000000, 0.0000000000000000, 0.0001961000000000 ] - [ 0.0179447400000000, 0.0000000000000000, -0.0007332800000000 ] - [ 0.0179741700000000, 0.0000000000000000, 0.0008665100000000 ] - [ 0.0164735100000000, 0.0000000000000000, 0.0000077300000000 ] - [ 0.0169700600000000, 0.0000000000000000, -0.0001132600000000 ] - [ 0.0163802300000000, 0.0000000000000000, -0.0001757200000000 ] - [ -0.0171979400000000, 0.0000000000000000, -0.0010966000000000 ] - [ -0.0171118700000000, 0.0000000000000000, 0.0010897700000000 ] - [ -0.0244078500000000, 0.0000000000000000, 0.0001754700000000 ] - [ -0.0193928600000000, 0.0000000000000000, 0.0010618500000000 ] - [ -0.0178740300000000, 0.0000000000000000, 0.0001345600000000 ] - [ -0.0196249500000000, 0.0000000000000000, -0.0012963400000000 ] - [ 0.0082159800000000, 0.0076932600000000, -0.0001300600000000 ] - [ -0.0020497000000000, 0.0002891400000000, -0.0001754200000000 ] - [ -0.0019968200000000, 0.0002633700000000, 0.0004957300000000 ] - [ -0.0041055200000000, 0.0000231900000000, -0.0003579500000000 ] - [ -0.0035858200000000, 0.0001373500000000, -0.0001715200000000 ] - [ -0.0041207100000000, 0.0000456000000000, 0.0000193000000000 ] - [ 0.0026931000000000, -0.0001914400000000, -0.0004807700000000 ] - [ 0.0026949800000000, -0.0001817000000000, 0.0001381500000000 ] - [ 0.0014225400000000, 0.0009674800000000, -0.0001777100000000 ] - [ -0.0041055200000000, -0.0000231900000000, -0.0003579500000000 ] - [ -0.0035858200000000, -0.0001373500000000, -0.0001715200000000 ] - [ -0.0041207100000000, -0.0000456000000000, 0.0000193000000000 ] - [ 0.0026931000000000, 0.0001914400000000, -0.0004807700000000 ] - [ 0.0026949800000000, 0.0001817000000000, 0.0001381500000000 ] - [ 0.0014225400000000, -0.0009674800000000, -0.0001777100000000 ] - [ 0.0037636000000000, -0.0014256000000000, 0.0011214200000000 ] - [ 0.0030975700000000, -0.0003254300000000, 0.0001354700000000 ] - [ 0.0038655200000000, -0.0016296900000000, -0.0007688800000000 ] - [ 0.0082159800000000, -0.0076932600000000, -0.0001300600000000 ] - [ -0.0020497000000000, -0.0002891400000000, -0.0001754200000000 ] - [ -0.0019968200000000, -0.0002633700000000, 0.0004957300000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015547800000000, 0.0012860500000000, -0.0001111800000000 ] - [ -0.0011115300000000, 0.0009774300000000, -0.0003039500000000 ] - [ -0.0011146000000000, 0.0009784500000000, -0.0001667300000000 ] - [ -0.0154133900000000, 0.0000000000000000, -0.0009709800000000 ] - [ -0.0153460600000000, 0.0000000000000000, 0.0001433000000000 ] - [ -0.0153792600000000, 0.0000000000000000, 0.0012385100000000 ] - [ -0.0154983200000000, 0.0000000000000000, -0.0000626900000000 ] - [ -0.0155065600000000, 0.0000000000000000, -0.0002867700000000 ] - [ -0.0155555000000000, 0.0000000000000000, -0.0001357000000000 ] - [ 0.0152578700000000, 0.0000000000000000, -0.0014516100000000 ] - [ 0.0154539400000000, 0.0000000000000000, -0.0001112900000000 ] - [ 0.0153238700000000, 0.0000000000000000, 0.0012792300000000 ] - [ -0.0008770300000000, -0.0005810700000000, 0.0001020800000000 ] - [ -0.0007396700000000, -0.0005204900000000, 0.0001067400000000 ] - [ -0.0009005100000000, -0.0006070600000000, 0.0001454000000000 ] - [ 0.0004384000000000, 0.0002225700000000, 0.0000415400000000 ] - [ 0.0004501700000000, 0.0002375600000000, 0.0002189700000000 ] - [ -0.0016681400000000, -0.0015816400000000, -0.0000886500000000 ] - [ -0.0005801000000000, -0.0016459700000000, 0.0010950700000000 ] - [ 0.0005556100000000, -0.0004258500000000, -0.0000907500000000 ] - [ -0.0005011900000000, -0.0021151300000000, -0.0014646100000000 ] - [ -0.0033059200000000, 0.0048087200000000, -0.0002516600000000 ] - [ -0.0001856000000000, -0.0000372900000000, -0.0001514400000000 ] - [ -0.0001717600000000, -0.0000486900000000, -0.0000579900000000 ] - [ -0.0005801000000000, 0.0016459700000000, 0.0010950700000000 ] - [ 0.0005556100000000, 0.0004258500000000, -0.0000907500000000 ] - [ -0.0005011900000000, 0.0021151300000000, -0.0014646100000000 ] - [ -0.0033059200000000, -0.0048087200000000, -0.0002516600000000 ] - [ -0.0001856000000000, 0.0000372900000000, -0.0001514400000000 ] - [ -0.0001717600000000, 0.0000486900000000, -0.0000579900000000 ] - [ -0.0008770300000000, 0.0005810700000000, 0.0001020800000000 ] - [ -0.0007396700000000, 0.0005204900000000, 0.0001067400000000 ] - [ -0.0009005100000000, 0.0006070600000000, 0.0001454000000000 ] - [ 0.0004384000000000, -0.0002225700000000, 0.0000415400000000 ] - [ 0.0004501700000000, -0.0002375600000000, 0.0002189700000000 ] - [ -0.0016681400000000, 0.0015816400000000, -0.0000886500000000 ] - [ -0.0034526000000000, -0.0028380600000000, 0.0001253900000000 ] - [ -0.0033479600000000, -0.0005148200000000, 0.0003584800000000 ] - [ -0.0033330700000000, -0.0005091000000000, -0.0002675300000000 ] - [ 0.0053924300000000, 0.0014709800000000, -0.0016743200000000 ] - [ 0.0040338100000000, 0.0004536600000000, 0.0000769400000000 ] - [ 0.0053608500000000, 0.0013479900000000, 0.0017786200000000 ] - [ 0.0035309100000000, -0.0004851300000000, -0.0001027400000000 ] - [ 0.0035323400000000, -0.0004892000000000, -0.0000493800000000 ] - [ 0.0031440400000000, -0.0003971500000000, -0.0000554500000000 ] - [ -0.0014441900000000, 0.0012453200000000, 0.0001849600000000 ] - [ -0.0011757600000000, 0.0010244800000000, 0.0002042700000000 ] - [ -0.0015214400000000, 0.0013101000000000, 0.0002208400000000 ] - [ 0.0035309100000000, 0.0004851300000000, -0.0001027400000000 ] - [ 0.0035323400000000, 0.0004892000000000, -0.0000493800000000 ] - [ 0.0031440400000000, 0.0003971500000000, -0.0000554500000000 ] - [ -0.0041680800000000, -0.0006004100000000, -0.0005783200000000 ] - [ -0.0040055600000000, -0.0005986900000000, -0.0000819900000000 ] - [ -0.0041672800000000, -0.0005953600000000, 0.0004222600000000 ] - [ -0.0034526000000000, 0.0028380600000000, 0.0001253900000000 ] - [ -0.0033479600000000, 0.0005148200000000, 0.0003584800000000 ] - [ -0.0033330700000000, 0.0005091000000000, -0.0002675300000000 ] - [ 0.0053924300000000, -0.0014709800000000, -0.0016743200000000 ] - [ 0.0040338100000000, -0.0004536600000000, 0.0000769400000000 ] - [ 0.0053608500000000, -0.0013479900000000, 0.0017786200000000 ] - [ 0.0015921000000000, 0.0011927000000000, 0.0001094800000000 ] - [ 0.0016024600000000, 0.0011956800000000, 0.0003309400000000 ] - [ -0.0107180800000000, 0.0044582100000000, 0.0007668600000000 ] - [ -0.0014441900000000, -0.0012453200000000, 0.0001849600000000 ] - [ -0.0011757600000000, -0.0010244800000000, 0.0002042700000000 ] - [ -0.0015214400000000, -0.0013101000000000, 0.0002208400000000 ] - [ -0.0041680800000000, 0.0006004100000000, -0.0005783200000000 ] - [ -0.0040055600000000, 0.0005986900000000, -0.0000819900000000 ] - [ -0.0041672800000000, 0.0005953600000000, 0.0004222600000000 ] - [ 0.0001845400000000, -0.0004715900000000, -0.0002167800000000 ] - [ 0.0006772700000000, -0.0007168800000000, -0.0002156500000000 ] - [ 0.0001854600000000, -0.0004573700000000, -0.0003120500000000 ] - [ -0.0015547800000000, -0.0012860500000000, -0.0001111800000000 ] - [ -0.0011115300000000, -0.0009774300000000, -0.0003039500000000 ] - [ -0.0011146000000000, -0.0009784500000000, -0.0001667300000000 ] - [ 0.0001845400000000, 0.0004715900000000, -0.0002167800000000 ] - [ 0.0006772700000000, 0.0007168800000000, -0.0002156500000000 ] - [ 0.0001854600000000, 0.0004573700000000, -0.0003120500000000 ] - [ 0.0015921000000000, -0.0011927000000000, 0.0001094800000000 ] - [ 0.0016024600000000, -0.0011956800000000, 0.0003309400000000 ] - [ -0.0107180800000000, -0.0044582100000000, 0.0007668600000000 ] - [ 0.0141458100000000, 0.0000000000000000, -0.0000343300000000 ] - [ 0.0152451400000000, 0.0000000000000000, 0.0006950500000000 ] - [ 0.0152407900000000, 0.0000000000000000, -0.0002818800000000 ] - [ 0.0463616300000000, 0.0000000000000000, -0.0006774200000000 ] - [ 0.0002731000000000, 0.0000000000000000, 0.0002125500000000 ] - [ 0.0002724500000000, 0.0000000000000000, -0.0001842900000000 ] - [ 0.0001592600000000, 0.0000000000000000, 0.0001240900000000 ] - [ 0.0000254900000000, 0.0000000000000000, 0.0000168900000000 ] - [ 0.0001574200000000, 0.0000000000000000, -0.0000899800000000 ] - [ -0.0000416200000000, 0.0000000000000000, -0.0000460600000000 ] - [ -0.0000418700000000, 0.0000000000000000, 0.0000046000000000 ] - [ -0.0001940900000000, 0.0000000000000000, -0.0000186000000000 ] - [ -0.0001607000000000, 0.0000000000000000, -0.0000544000000000 ] - [ -0.0000671000000000, 0.0000000000000000, -0.0000212300000000 ] - [ -0.0001563500000000, 0.0000000000000000, 0.0000034800000000 ] - [ 0.0022104200000000, -0.0010098000000000, -0.0007956500000000 ] - [ 0.0028916300000000, 0.0001001300000000, 0.0002005500000000 ] - [ 0.0021027400000000, -0.0012171800000000, 0.0011143200000000 ] - [ 0.0190474600000000, 0.0000000000000000, 0.0000144000000000 ] - [ 0.0169502200000000, 0.0000000000000000, 0.0009510600000000 ] - [ 0.0169204900000000, 0.0000000000000000, -0.0006611600000000 ] - [ 0.0184135400000000, 0.0000000000000000, -0.0002226200000000 ] - [ 0.0179135700000000, 0.0000000000000000, -0.0000969700000000 ] - [ 0.0185101100000000, 0.0000000000000000, -0.0000329400000000 ] - [ -0.0176745900000000, 0.0000000000000000, 0.0008887800000000 ] - [ -0.0177619700000000, 0.0000000000000000, -0.0012949900000000 ] - [ -0.0105154600000000, 0.0000000000000000, -0.0003795500000000 ] - [ -0.0154872100000000, 0.0000000000000000, -0.0008609400000000 ] - [ -0.0170138800000000, 0.0000000000000000, 0.0000763900000000 ] - [ -0.0152504200000000, 0.0000000000000000, 0.0015275600000000 ] - [ -0.0142363300000000, -0.0077789900000000, 0.0004678100000000 ] - [ -0.0039484300000000, -0.0007109800000000, 0.0005308400000000 ] - [ -0.0040004900000000, -0.0006855000000000, -0.0001794300000000 ] - [ -0.0018846700000000, 0.0004061800000000, 0.0000193100000000 ] - [ -0.0024095500000000, 0.0002899500000000, -0.0001639300000000 ] - [ -0.0018722300000000, 0.0003833400000000, -0.0003528800000000 ] - [ 0.0033135700000000, -0.0002341400000000, 0.0001424900000000 ] - [ 0.0033114800000000, -0.0002432800000000, -0.0004717400000000 ] - [ 0.0045824300000000, -0.0013688500000000, -0.0001591100000000 ] - [ -0.0018846700000000, -0.0004061800000000, 0.0000193100000000 ] - [ -0.0024095500000000, -0.0002899500000000, -0.0001639300000000 ] - [ -0.0018722300000000, -0.0003833400000000, -0.0003528800000000 ] - [ 0.0033135700000000, 0.0002341400000000, 0.0001424900000000 ] - [ 0.0033114800000000, 0.0002432800000000, -0.0004717400000000 ] - [ 0.0045824300000000, 0.0013688500000000, -0.0001591100000000 ] - [ 0.0022104200000000, 0.0010098000000000, -0.0007956500000000 ] - [ 0.0028916300000000, -0.0001001300000000, 0.0002005500000000 ] - [ 0.0021027400000000, 0.0012171800000000, 0.0011143200000000 ] - [ -0.0142363300000000, 0.0077789900000000, 0.0004678100000000 ] - [ -0.0039484300000000, 0.0007109800000000, 0.0005308400000000 ] - [ -0.0040004900000000, 0.0006855000000000, -0.0001794300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015741800000000, 0.0020405400000000, 0.0000896200000000 ] - [ -0.0011049300000000, 0.0011219600000000, -0.0002324800000000 ] - [ -0.0011031900000000, 0.0011272200000000, -0.0002127400000000 ] - [ -0.0153878500000000, 0.0010151200000000, 0.0001911500000000 ] - [ -0.0153884600000000, 0.0005046800000000, 0.0001748400000000 ] - [ -0.0153879700000000, 0.0008788000000000, 0.0001633700000000 ] - [ -0.0153895600000000, 0.0002533100000000, -0.0001757900000000 ] - [ -0.0153899500000000, 0.0002570200000000, -0.0001727700000000 ] - [ -0.0153895300000000, 0.0003588600000000, -0.0001738400000000 ] - [ 0.0153884100000000, -0.0009499000000000, -0.0001742700000000 ] - [ 0.0153895400000000, -0.0004674200000000, -0.0001756900000000 ] - [ 0.0153887200000000, -0.0009713300000000, -0.0001753400000000 ] - [ -0.0005419300000000, -0.0001692700000000, 0.0000720800000000 ] - [ -0.0005218300000000, -0.0002572400000000, 0.0000949300000000 ] - [ -0.0005450400000000, -0.0001768900000000, 0.0000696700000000 ] - [ 0.0005167600000000, 0.0001362700000000, 0.0000914200000000 ] - [ 0.0005194600000000, 0.0001405400000000, 0.0000936700000000 ] - [ 0.0009616100000000, -0.0000881200000000, -0.0000202600000000 ] - [ 0.0024065400000000, -0.0013611800000000, -0.0010248200000000 ] - [ 0.0010348200000000, -0.0010341100000000, -0.0001328600000000 ] - [ 0.0023397900000000, -0.0012574800000000, 0.0007268100000000 ] - [ -0.0133854200000000, 0.0253367400000000, -0.0010206900000000 ] - [ -0.0022294700000000, 0.0026778600000000, -0.0008039100000000 ] - [ -0.0021688500000000, 0.0026055300000000, 0.0003224300000000 ] - [ -0.0013224800000000, -0.0006942400000000, 0.0008063300000000 ] - [ 0.0000434600000000, -0.0003353100000000, -0.0000731900000000 ] - [ -0.0012572500000000, -0.0005987500000000, -0.0009182800000000 ] - [ 0.0123993200000000, 0.0248775500000000, 0.0008209700000000 ] - [ 0.0011482400000000, 0.0019679800000000, 0.0006034800000000 ] - [ 0.0010865700000000, 0.0018952100000000, -0.0005316600000000 ] - [ -0.0005366600000000, 0.0005371000000000, 0.0001339500000000 ] - [ -0.0005584400000000, 0.0004488200000000, 0.0001105900000000 ] - [ -0.0005334100000000, 0.0005292600000000, 0.0001367700000000 ] - [ 0.0005632100000000, -0.0005673300000000, 0.0001136500000000 ] - [ 0.0005617800000000, -0.0005642800000000, 0.0001111900000000 ] - [ 0.0001181600000000, -0.0007893500000000, 0.0002267300000000 ] - [ 0.0010738900000000, 0.0069456100000000, 0.0000488400000000 ] - [ -0.0034323000000000, -0.0002686100000000, -0.0012075700000000 ] - [ -0.0034690100000000, -0.0002777900000000, 0.0013327300000000 ] - [ 0.0036377700000000, 0.0075739000000000, -0.0125421000000000 ] - [ 0.0045742700000000, 0.0008027700000000, 0.0000317700000000 ] - [ 0.0037762000000000, 0.0070291400000000, 0.0121095300000000 ] - [ 0.0037619600000000, -0.0005411400000000, -0.0000503300000000 ] - [ 0.0037638100000000, -0.0005414800000000, -0.0001015400000000 ] - [ 0.0037351900000000, -0.0005325500000000, -0.0000747700000000 ] - [ -0.0029681000000000, 0.0025658400000000, 0.0002623100000000 ] - [ -0.0016932300000000, 0.0015250600000000, 0.0001942400000000 ] - [ -0.0029742000000000, 0.0025726200000000, 0.0000591500000000 ] - [ 0.0037742600000000, 0.0005328600000000, -0.0001016700000000 ] - [ 0.0037723100000000, 0.0005329300000000, -0.0000473200000000 ] - [ 0.0038052600000000, 0.0005429000000000, -0.0000750000000000 ] - [ -0.0037940900000000, -0.0005196500000000, -0.0001431300000000 ] - [ -0.0037769900000000, -0.0005359300000000, -0.0000728500000000 ] - [ -0.0037941100000000, -0.0005236700000000, -0.0000058300000000 ] - [ -0.0087005600000000, 0.0081646200000000, 0.0001000700000000 ] - [ -0.0041062400000000, 0.0008022800000000, 0.0013582300000000 ] - [ -0.0040700900000000, 0.0007932800000000, -0.0011817500000000 ] - [ 0.0038997500000000, 0.0065642200000000, 0.0128518400000000 ] - [ 0.0029499200000000, -0.0002712600000000, 0.0001181800000000 ] - [ 0.0037556600000000, 0.0060135700000000, -0.0121123300000000 ] - [ -0.0004774900000000, -0.0003377500000000, 0.0001394000000000 ] - [ -0.0004227700000000, -0.0003007500000000, 0.0004049700000000 ] - [ -0.0123363900000000, -0.0018071100000000, 0.0007669600000000 ] - [ 0.0008260800000000, 0.0006651300000000, 0.0001698400000000 ] - [ -0.0004465500000000, -0.0003787500000000, 0.0002359800000000 ] - [ 0.0008339700000000, 0.0006737100000000, 0.0003712500000000 ] - [ -0.0037318300000000, 0.0005510600000000, -0.0000032800000000 ] - [ -0.0037518400000000, 0.0005360100000000, -0.0000772800000000 ] - [ -0.0037326400000000, 0.0005476100000000, -0.0001473500000000 ] - [ 0.0010171000000000, -0.0010525000000000, -0.0002155000000000 ] - [ 0.0010800000000000, -0.0010128000000000, -0.0002155700000000 ] - [ 0.0010277300000000, -0.0010640600000000, -0.0001834300000000 ] - [ -0.0005304200000000, 0.0001603100000000, -0.0005254300000000 ] - [ -0.0010280600000000, -0.0007779100000000, -0.0001974700000000 ] - [ -0.0010290800000000, -0.0007733300000000, -0.0002193900000000 ] - [ 0.0011396000000000, 0.0008616500000000, -0.0002162100000000 ] - [ 0.0010672400000000, 0.0008972200000000, -0.0002153700000000 ] - [ 0.0011321100000000, 0.0008536600000000, -0.0002444700000000 ] - [ 0.0026213300000000, -0.0022487100000000, 0.0002890500000000 ] - [ 0.0025649900000000, -0.0022111800000000, 0.0000277100000000 ] - [ 0.0145312200000000, -0.0038058000000000, -0.0003355000000000 ] - [ 0.0154023200000000, -0.0005034100000000, 0.0001770000000000 ] - [ 0.0153917100000000, -0.0002861400000000, 0.0001676600000000 ] - [ 0.0153909700000000, -0.0002456400000000, 0.0001816500000000 ] - [ -0.0006718200000000, -0.0688061000000000, 0.0000330500000000 ] - [ -0.0000002600000000, -0.0013627800000000, 0.0000160500000000 ] - [ -0.0000008800000000, -0.0013637600000000, 0.0000245000000000 ] - [ -0.0000048000000000, 0.0020617500000000, 0.0000214100000000 ] - [ -0.0000050600000000, 0.0006618900000000, 0.0000195800000000 ] - [ -0.0000066900000000, 0.0020616900000000, 0.0000194800000000 ] - [ -0.0000039300000000, 0.0000236400000000, -0.0000207200000000 ] - [ -0.0000033500000000, 0.0000226400000000, -0.0000205000000000 ] - [ -0.0000022400000000, 0.0000514800000000, -0.0000203800000000 ] - [ 0.0000057900000000, -0.0000405300000000, -0.0000204400000000 ] - [ 0.0000037900000000, -0.0000172500000000, -0.0000203900000000 ] - [ 0.0000045600000000, -0.0000388200000000, -0.0000199400000000 ] - [ 0.0071843700000000, -0.0020350200000000, -0.0032123400000000 ] - [ 0.0041116300000000, -0.0003546300000000, 0.0001540800000000 ] - [ 0.0071415000000000, -0.0021497700000000, 0.0036246700000000 ] - [ 0.0173969800000000, -0.0151259900000000, 0.0001069200000000 ] - [ 0.0174390800000000, -0.0030886400000000, 0.0000930500000000 ] - [ 0.0174393200000000, -0.0030464200000000, 0.0001116400000000 ] - [ 0.0174396700000000, -0.0020427900000000, -0.0001056500000000 ] - [ 0.0174410900000000, -0.0008249600000000, -0.0001055900000000 ] - [ 0.0174396000000000, -0.0020159600000000, -0.0001056600000000 ] - [ -0.0174405200000000, 0.0022646500000000, -0.0001032900000000 ] - [ -0.0174411700000000, 0.0021124100000000, -0.0001044200000000 ] - [ -0.0174369800000000, 0.0103667700000000, -0.0001049200000000 ] - [ -0.0174698500000000, 0.0028079500000000, 0.0001229600000000 ] - [ -0.0174436000000000, 0.0009720500000000, 0.0001049000000000 ] - [ -0.0174748600000000, 0.0027704100000000, 0.0000812100000000 ] - [ -0.0052503400000000, -0.0078065900000000, -0.0008130000000000 ] - [ -0.0051838400000000, 0.0004471200000000, -0.0057470000000000 ] - [ -0.0051222200000000, 0.0004721100000000, 0.0058427700000000 ] - [ -0.0031098500000000, 0.0002229800000000, -0.0001413400000000 ] - [ -0.0030334700000000, 0.0002121500000000, -0.0001689100000000 ] - [ -0.0030988400000000, 0.0002296200000000, -0.0001953800000000 ] - [ 0.0030863500000000, -0.0002185000000000, -0.0000896800000000 ] - [ 0.0030832100000000, -0.0002178800000000, -0.0002465200000000 ] - [ 0.0033876700000000, -0.0005109300000000, -0.0001461300000000 ] - [ -0.0029031100000000, -0.0001945200000000, -0.0001950700000000 ] - [ -0.0029736300000000, -0.0002101700000000, -0.0001670500000000 ] - [ -0.0029175600000000, -0.0001877200000000, -0.0001402600000000 ] - [ 0.0029024200000000, 0.0002129100000000, -0.0002484300000000 ] - [ 0.0029063000000000, 0.0002128400000000, -0.0000879600000000 ] - [ 0.0025851400000000, -0.0000707200000000, -0.0001888600000000 ] - [ -0.0011599500000000, -0.0025401500000000, 0.0035451500000000 ] - [ 0.0018935100000000, -0.0007874500000000, 0.0001806500000000 ] - [ -0.0011160000000000, -0.0026553300000000, -0.0032845800000000 ] - [ -0.0001263100000000, -0.0084976800000000, 0.0011260000000000 ] - [ -0.0008102400000000, 0.0008397100000000, 0.0060576000000000 ] - [ -0.0008712800000000, 0.0008660600000000, -0.0054822000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010495200000000, 0.0009383200000000, -0.0002281000000000 ] - [ -0.0008996000000000, 0.0008705300000000, -0.0002256800000000 ] - [ -0.0012642500000000, 0.0010588700000000, -0.0001655900000000 ] - [ -0.0153269300000000, 0.0000000000000000, -0.0002509400000000 ] - [ -0.0153713600000000, 0.0000000000000000, 0.0009993200000000 ] - [ -0.0154645800000000, 0.0000000000000000, -0.0000399700000000 ] - [ -0.0154153500000000, 0.0000000000000000, -0.0000466500000000 ] - [ -0.0153648600000000, 0.0000000000000000, -0.0000487100000000 ] - [ -0.0153865100000000, 0.0000000000000000, -0.0004257600000000 ] - [ 0.0155437200000000, 0.0000000000000000, -0.0004065200000000 ] - [ 0.0153916500000000, 0.0000000000000000, 0.0003127700000000 ] - [ 0.0152030600000000, 0.0000000000000000, -0.0004309000000000 ] - [ -0.0006084500000000, -0.0003868500000000, 0.0001041900000000 ] - [ -0.0005444900000000, -0.0003582800000000, 0.0001288000000000 ] - [ -0.0004585900000000, -0.0002944900000000, 0.0000763800000000 ] - [ 0.0006781800000000, 0.0004790600000000, 0.0001474200000000 ] - [ 0.0004299600000000, 0.0002668900000000, 0.0001070500000000 ] - [ 0.0004982000000000, 0.0002746000000000, 0.0000718700000000 ] - [ -0.0003424300000000, -0.0006743000000000, 0.0003636900000000 ] - [ 0.0005377700000000, -0.0003470600000000, -0.0000018700000000 ] - [ 0.0013821800000000, 0.0001217300000000, 0.0004076100000000 ] - [ -0.0006852900000000, 0.0005922400000000, 0.0007863600000000 ] - [ 0.0000732100000000, -0.0004155800000000, 0.0002170500000000 ] - [ -0.0011007200000000, 0.0010684500000000, 0.0001644900000000 ] - [ -0.0003424300000000, 0.0006743000000000, 0.0003636900000000 ] - [ 0.0005377700000000, 0.0003470600000000, -0.0000018700000000 ] - [ 0.0013821800000000, -0.0001217300000000, 0.0004076100000000 ] - [ -0.0006852900000000, -0.0005922400000000, 0.0007863600000000 ] - [ 0.0000732100000000, 0.0004155800000000, 0.0002170500000000 ] - [ -0.0011007200000000, -0.0010684500000000, 0.0001644900000000 ] - [ -0.0006084500000000, 0.0003868500000000, 0.0001041900000000 ] - [ -0.0005444900000000, 0.0003582800000000, 0.0001288000000000 ] - [ -0.0004585900000000, 0.0002944900000000, 0.0000763800000000 ] - [ 0.0006781800000000, -0.0004790600000000, 0.0001474200000000 ] - [ 0.0004299600000000, -0.0002668900000000, 0.0001070500000000 ] - [ 0.0004982000000000, -0.0002746000000000, 0.0000718700000000 ] - [ -0.0037442800000000, -0.0005197700000000, -0.0008057700000000 ] - [ -0.0040430400000000, -0.0006005700000000, 0.0005558500000000 ] - [ -0.0035147100000000, -0.0004699300000000, 0.0005614200000000 ] - [ 0.0043713400000000, -0.0046943900000000, 0.0044030600000000 ] - [ 0.0037638300000000, 0.0005308500000000, 0.0015238400000000 ] - [ 0.0031621500000000, 0.0054600500000000, 0.0041785300000000 ] - [ 0.0037950700000000, -0.0005428500000000, -0.0000136100000000 ] - [ 0.0037298500000000, -0.0005257500000000, -0.0000073300000000 ] - [ 0.0037612200000000, -0.0005342300000000, -0.0002075200000000 ] - [ -0.0014191000000000, 0.0011685100000000, 0.0001634100000000 ] - [ -0.0010712100000000, 0.0009521100000000, 0.0002599100000000 ] - [ -0.0006961900000000, 0.0007180700000000, 0.0001814600000000 ] - [ 0.0037950700000000, 0.0005428500000000, -0.0000136100000000 ] - [ 0.0037298500000000, 0.0005257500000000, -0.0000073300000000 ] - [ 0.0037612200000000, 0.0005342300000000, -0.0002075200000000 ] - [ -0.0037920300000000, -0.0005488900000000, -0.0001673300000000 ] - [ -0.0037672800000000, -0.0005363400000000, 0.0000794100000000 ] - [ -0.0037555900000000, -0.0005284700000000, -0.0001363700000000 ] - [ -0.0037442800000000, 0.0005197700000000, -0.0008057700000000 ] - [ -0.0040430400000000, 0.0006005700000000, 0.0005558500000000 ] - [ -0.0035147100000000, 0.0004699300000000, 0.0005614200000000 ] - [ 0.0043713400000000, 0.0046943900000000, 0.0044030600000000 ] - [ 0.0037638300000000, -0.0005308500000000, 0.0015238400000000 ] - [ 0.0031621500000000, -0.0054600500000000, 0.0041785300000000 ] - [ 0.0015049100000000, 0.0011160600000000, 0.0002677600000000 ] - [ 0.0006455400000000, 0.0007823900000000, 0.0002826300000000 ] - [ 0.0008216900000000, 0.0009760600000000, -0.0019945000000000 ] - [ -0.0014191000000000, -0.0011685100000000, 0.0001634100000000 ] - [ -0.0010712100000000, -0.0009521100000000, 0.0002599100000000 ] - [ -0.0006961900000000, -0.0007180700000000, 0.0001814600000000 ] - [ -0.0037920300000000, 0.0005488900000000, -0.0001673300000000 ] - [ -0.0037672800000000, 0.0005363400000000, 0.0000794100000000 ] - [ -0.0037555900000000, 0.0005284700000000, -0.0001363700000000 ] - [ 0.0008637100000000, -0.0008589500000000, -0.0002625800000000 ] - [ 0.0010655000000000, -0.0009500400000000, -0.0001893100000000 ] - [ 0.0012126200000000, -0.0010091500000000, -0.0002171500000000 ] - [ -0.0010495200000000, -0.0009383200000000, -0.0002281000000000 ] - [ -0.0008996000000000, -0.0008705300000000, -0.0002256800000000 ] - [ -0.0012642500000000, -0.0010588700000000, -0.0001655900000000 ] - [ 0.0008637100000000, 0.0008589500000000, -0.0002625800000000 ] - [ 0.0010655000000000, 0.0009500400000000, -0.0001893100000000 ] - [ 0.0012126200000000, 0.0010091500000000, -0.0002171500000000 ] - [ 0.0015049100000000, -0.0011160600000000, 0.0002677600000000 ] - [ 0.0006455400000000, -0.0007823900000000, 0.0002826300000000 ] - [ 0.0008216900000000, -0.0009760600000000, -0.0019945000000000 ] - [ 0.0154043600000000, 0.0000000000000000, -0.0001848500000000 ] - [ 0.0153770100000000, 0.0000000000000000, 0.0003448600000000 ] - [ 0.0154111000000000, 0.0000000000000000, 0.0003443000000000 ] - [ 0.0008451100000000, 0.0000000000000000, -0.0175557000000000 ] - [ 0.0002112800000000, 0.0000000000000000, 0.0005289400000000 ] - [ -0.0001901800000000, 0.0000000000000000, 0.0005041000000000 ] - [ -0.0001115100000000, 0.0000000000000000, 0.0000136100000000 ] - [ -0.0000053500000000, 0.0000000000000000, 0.0000798400000000 ] - [ 0.0001005200000000, 0.0000000000000000, 0.0000139700000000 ] - [ 0.0000232700000000, 0.0000000000000000, -0.0000166900000000 ] - [ -0.0000273800000000, 0.0000000000000000, -0.0000135400000000 ] - [ -0.0000044400000000, 0.0000000000000000, -0.0000310500000000 ] - [ -0.0000316000000000, 0.0000000000000000, -0.0000156500000000 ] - [ 0.0000007500000000, 0.0000000000000000, -0.0000100200000000 ] - [ 0.0000247700000000, 0.0000000000000000, -0.0000172800000000 ] - [ 0.0039783900000000, 0.0001374000000000, 0.0007450000000000 ] - [ 0.0030026900000000, 0.0002171000000000, -0.0005514800000000 ] - [ 0.0020582500000000, 0.0003583300000000, 0.0006977900000000 ] - [ 0.0174817100000000, 0.0000000000000000, 0.0008920300000000 ] - [ 0.0164785700000000, 0.0000000000000000, -0.0001827000000000 ] - [ 0.0183555300000000, 0.0000000000000000, -0.0002617300000000 ] - [ 0.0177814400000000, 0.0000000000000000, -0.0000051700000000 ] - [ 0.0174563800000000, 0.0000000000000000, -0.0003282300000000 ] - [ 0.0170565000000000, 0.0000000000000000, 0.0000140500000000 ] - [ -0.0182036500000000, 0.0000000000000000, -0.0004660600000000 ] - [ -0.0167976600000000, 0.0000000000000000, -0.0004118800000000 ] - [ -0.0173138100000000, 0.0000000000000000, 0.0004930300000000 ] - [ -0.0170557500000000, 0.0000000000000000, 0.0004691500000000 ] - [ -0.0174414700000000, 0.0000000000000000, -0.0002216600000000 ] - [ -0.0177467400000000, 0.0000000000000000, 0.0003924700000000 ] - [ -0.0031019600000000, -0.0005161500000000, 0.0027162000000000 ] - [ -0.0037216700000000, -0.0008487600000000, -0.0025365400000000 ] - [ -0.0022892400000000, 0.0004036800000000, -0.0024915100000000 ] - [ -0.0028376400000000, 0.0002626000000000, -0.0000986100000000 ] - [ -0.0029918500000000, 0.0002150000000000, -0.0002943900000000 ] - [ -0.0031129800000000, 0.0002056600000000, -0.0001093600000000 ] - [ 0.0028181700000000, -0.0001859700000000, -0.0002233300000000 ] - [ 0.0031884500000000, -0.0002061700000000, -0.0002478200000000 ] - [ 0.0030254300000000, -0.0002433600000000, -0.0000308200000000 ] - [ -0.0028376400000000, -0.0002626000000000, -0.0000986100000000 ] - [ -0.0029918500000000, -0.0002150000000000, -0.0002943900000000 ] - [ -0.0031129800000000, -0.0002056600000000, -0.0001093600000000 ] - [ 0.0028181700000000, 0.0001859700000000, -0.0002233300000000 ] - [ 0.0031884500000000, 0.0002061700000000, -0.0002478200000000 ] - [ 0.0030254300000000, 0.0002433600000000, -0.0000308200000000 ] - [ 0.0039783900000000, -0.0001374000000000, 0.0007450000000000 ] - [ 0.0030026900000000, -0.0002171000000000, -0.0005514800000000 ] - [ 0.0020582500000000, -0.0003583300000000, 0.0006977900000000 ] - [ -0.0031019600000000, 0.0005161500000000, 0.0027162000000000 ] - [ -0.0037216700000000, 0.0008487600000000, -0.0025365400000000 ] - [ -0.0022892400000000, -0.0004036800000000, -0.0024915100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010993600000000, 0.0009716200000000, -0.0002015800000000 ] - [ -0.0012399300000000, 0.0010331400000000, -0.0002067500000000 ] - [ -0.0008741100000000, 0.0008453100000000, -0.0002652100000000 ] - [ -0.0154532600000000, 0.0000000000000000, 0.0005833900000000 ] - [ -0.0154056700000000, 0.0000000000000000, -0.0006527400000000 ] - [ -0.0153141700000000, 0.0000000000000000, 0.0004046300000000 ] - [ -0.0153637000000000, 0.0000000000000000, -0.0003041500000000 ] - [ -0.0154150200000000, 0.0000000000000000, -0.0002965300000000 ] - [ -0.0153928400000000, 0.0000000000000000, 0.0000791800000000 ] - [ 0.0152348200000000, 0.0000000000000000, 0.0000525400000000 ] - [ 0.0153869400000000, 0.0000000000000000, -0.0006629700000000 ] - [ 0.0155753000000000, 0.0000000000000000, 0.0000907900000000 ] - [ -0.0004717000000000, -0.0003201200000000, 0.0001017700000000 ] - [ -0.0005369500000000, -0.0003501600000000, 0.0000768600000000 ] - [ -0.0006217300000000, -0.0004124700000000, 0.0001305300000000 ] - [ 0.0004017100000000, 0.0002287200000000, 0.0000577800000000 ] - [ 0.0006508000000000, 0.0004417000000000, 0.0000986000000000 ] - [ 0.0005756300000000, 0.0004288800000000, 0.0001336800000000 ] - [ 0.0014074600000000, -0.0000410100000000, -0.0005603800000000 ] - [ 0.0005429500000000, -0.0003607500000000, -0.0002041400000000 ] - [ -0.0003179100000000, -0.0008384400000000, -0.0006234800000000 ] - [ -0.0004267600000000, 0.0001674900000000, -0.0009936500000000 ] - [ -0.0011473100000000, 0.0011169400000000, -0.0004224800000000 ] - [ 0.0000260400000000, -0.0003665100000000, -0.0003706400000000 ] - [ 0.0014074600000000, 0.0000410100000000, -0.0005603800000000 ] - [ 0.0005429500000000, 0.0003607500000000, -0.0002041400000000 ] - [ -0.0003179100000000, 0.0008384400000000, -0.0006234800000000 ] - [ -0.0004267600000000, -0.0001674900000000, -0.0009936500000000 ] - [ -0.0011473100000000, -0.0011169400000000, -0.0004224800000000 ] - [ 0.0000260400000000, 0.0003665100000000, -0.0003706400000000 ] - [ -0.0004717000000000, 0.0003201200000000, 0.0001017700000000 ] - [ -0.0005369500000000, 0.0003501600000000, 0.0000768600000000 ] - [ -0.0006217300000000, 0.0004124700000000, 0.0001305300000000 ] - [ 0.0004017100000000, -0.0002287200000000, 0.0000577800000000 ] - [ 0.0006508000000000, -0.0004417000000000, 0.0000986000000000 ] - [ 0.0005756300000000, -0.0004288800000000, 0.0001336800000000 ] - [ -0.0037807400000000, -0.0005480200000000, 0.0009555900000000 ] - [ -0.0034896100000000, -0.0004710800000000, -0.0004056500000000 ] - [ -0.0040180700000000, -0.0006016700000000, -0.0004115700000000 ] - [ 0.0031712900000000, 0.0057124200000000, -0.0042308300000000 ] - [ 0.0037676700000000, 0.0005380600000000, -0.0013740900000000 ] - [ 0.0043791400000000, -0.0044413400000000, -0.0040519900000000 ] - [ 0.0037370000000000, -0.0005294200000000, -0.0001375200000000 ] - [ 0.0038022700000000, -0.0005470000000000, -0.0001423300000000 ] - [ 0.0037690700000000, -0.0005376000000000, 0.0000580800000000 ] - [ -0.0007202900000000, 0.0007354800000000, 0.0002666900000000 ] - [ -0.0010673900000000, 0.0009506200000000, 0.0001701200000000 ] - [ -0.0014423900000000, 0.0011849100000000, 0.0002498300000000 ] - [ 0.0037370000000000, 0.0005294200000000, -0.0001375200000000 ] - [ 0.0038022700000000, 0.0005470000000000, -0.0001423300000000 ] - [ 0.0037690700000000, 0.0005376000000000, 0.0000580800000000 ] - [ -0.0037414100000000, -0.0005240000000000, 0.0000146400000000 ] - [ -0.0037663100000000, -0.0005368000000000, -0.0002299100000000 ] - [ -0.0037788000000000, -0.0005448300000000, -0.0000103800000000 ] - [ -0.0037807400000000, 0.0005480200000000, 0.0009555900000000 ] - [ -0.0034896100000000, 0.0004710800000000, -0.0004056500000000 ] - [ -0.0040180700000000, 0.0006016700000000, -0.0004115700000000 ] - [ 0.0031712900000000, -0.0057124200000000, -0.0042308300000000 ] - [ 0.0037676700000000, -0.0005380600000000, -0.0013740900000000 ] - [ 0.0043791400000000, 0.0044413400000000, -0.0040519900000000 ] - [ 0.0006380100000000, 0.0007890200000000, 0.0001617800000000 ] - [ 0.0014965300000000, 0.0011227900000000, 0.0001492300000000 ] - [ 0.0012794400000000, 0.0009301100000000, 0.0024292200000000 ] - [ -0.0007202900000000, -0.0007354800000000, 0.0002666900000000 ] - [ -0.0010673900000000, -0.0009506200000000, 0.0001701200000000 ] - [ -0.0014423900000000, -0.0011849100000000, 0.0002498300000000 ] - [ -0.0037414100000000, 0.0005240000000000, 0.0000146400000000 ] - [ -0.0037663100000000, 0.0005368000000000, -0.0002299100000000 ] - [ -0.0037788000000000, 0.0005448300000000, -0.0000103800000000 ] - [ 0.0012710900000000, -0.0010412400000000, -0.0001688100000000 ] - [ 0.0010731800000000, -0.0009537200000000, -0.0002414200000000 ] - [ 0.0009251800000000, -0.0008946900000000, -0.0002134100000000 ] - [ -0.0010993600000000, -0.0009716200000000, -0.0002015800000000 ] - [ -0.0012399300000000, -0.0010331400000000, -0.0002067500000000 ] - [ -0.0008741100000000, -0.0008453100000000, -0.0002652100000000 ] - [ 0.0012710900000000, 0.0010412400000000, -0.0001688100000000 ] - [ 0.0010731800000000, 0.0009537200000000, -0.0002414200000000 ] - [ 0.0009251800000000, 0.0008946900000000, -0.0002134100000000 ] - [ 0.0006380100000000, -0.0007890200000000, 0.0001617800000000 ] - [ 0.0014965300000000, -0.0011227900000000, 0.0001492300000000 ] - [ 0.0012794400000000, -0.0009301100000000, 0.0024292200000000 ] - [ 0.0153751100000000, 0.0000000000000000, 0.0005297500000000 ] - [ 0.0154024300000000, 0.0000000000000000, 0.0000044400000000 ] - [ 0.0153671800000000, 0.0000000000000000, 0.0000043600000000 ] - [ -0.0005759400000000, 0.0000000000000000, 0.0175928400000000 ] - [ -0.0002024600000000, 0.0000000000000000, -0.0004631000000000 ] - [ 0.0001975000000000, 0.0000000000000000, -0.0004879800000000 ] - [ 0.0001096000000000, 0.0000000000000000, 0.0000268800000000 ] - [ 0.0000006900000000, 0.0000000000000000, -0.0000403900000000 ] - [ -0.0001055900000000, 0.0000000000000000, 0.0000273000000000 ] - [ -0.0000273100000000, 0.0000000000000000, -0.0000252900000000 ] - [ 0.0000237100000000, 0.0000000000000000, -0.0000274200000000 ] - [ -0.0000004500000000, 0.0000000000000000, -0.0000097400000000 ] - [ 0.0000359300000000, 0.0000000000000000, -0.0000254000000000 ] - [ 0.0000015300000000, 0.0000000000000000, -0.0000309800000000 ] - [ -0.0000228200000000, 0.0000000000000000, -0.0000228500000000 ] - [ 0.0020148400000000, 0.0002943400000000, -0.0004082300000000 ] - [ 0.0029963600000000, 0.0002082300000000, 0.0008868000000000 ] - [ 0.0039316000000000, 0.0000734800000000, -0.0003627100000000 ] - [ 0.0174366400000000, 0.0000000000000000, -0.0006806500000000 ] - [ 0.0183988900000000, 0.0000000000000000, 0.0004032300000000 ] - [ 0.0165215200000000, 0.0000000000000000, 0.0004608300000000 ] - [ 0.0171038800000000, 0.0000000000000000, -0.0002068500000000 ] - [ 0.0174304300000000, 0.0000000000000000, 0.0001171000000000 ] - [ 0.0178300400000000, 0.0000000000000000, -0.0002260800000000 ] - [ -0.0166858000000000, 0.0000000000000000, 0.0002584400000000 ] - [ -0.0180917400000000, 0.0000000000000000, 0.0001980200000000 ] - [ -0.0175499500000000, 0.0000000000000000, -0.0007038700000000 ] - [ -0.0178285100000000, 0.0000000000000000, -0.0002584500000000 ] - [ -0.0174414700000000, 0.0000000000000000, 0.0004320800000000 ] - [ -0.0171376900000000, 0.0000000000000000, -0.0001794900000000 ] - [ -0.0029551700000000, -0.0000053400000000, -0.0023728700000000 ] - [ -0.0022831700000000, 0.0004178800000000, 0.0028735700000000 ] - [ -0.0037159300000000, -0.0008342000000000, 0.0028265900000000 ] - [ -0.0031549200000000, 0.0001656200000000, -0.0002362200000000 ] - [ -0.0030057200000000, 0.0002117000000000, -0.0000414200000000 ] - [ -0.0028828700000000, 0.0002220500000000, -0.0002278100000000 ] - [ 0.0031806000000000, -0.0002401200000000, -0.0001109500000000 ] - [ 0.0028105200000000, -0.0002199400000000, -0.0000900000000000 ] - [ 0.0029813100000000, -0.0001824400000000, -0.0003053500000000 ] - [ -0.0031549200000000, -0.0001656200000000, -0.0002362200000000 ] - [ -0.0030057200000000, -0.0002117000000000, -0.0000414200000000 ] - [ -0.0028828700000000, -0.0002220500000000, -0.0002278100000000 ] - [ 0.0031806000000000, 0.0002401200000000, -0.0001109500000000 ] - [ 0.0028105200000000, 0.0002199400000000, -0.0000900000000000 ] - [ 0.0029813100000000, 0.0001824400000000, -0.0003053500000000 ] - [ 0.0020148400000000, -0.0002943400000000, -0.0004082300000000 ] - [ 0.0029963600000000, -0.0002082300000000, 0.0008868000000000 ] - [ 0.0039316000000000, -0.0000734800000000, -0.0003627100000000 ] - [ -0.0029551700000000, 0.0000053400000000, -0.0023728700000000 ] - [ -0.0022831700000000, -0.0004178800000000, 0.0028735700000000 ] - [ -0.0037159300000000, 0.0008342000000000, 0.0028265900000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0064666100000000, 0.0035882200000000, 0.0000574000000000 ] - [ -0.0064326200000000, 0.0035722600000000, -0.0000698300000000 ] - [ -0.0040742000000000, 0.0025804700000000, -0.0001664400000000 ] - [ -0.0174403800000000, -0.0011049900000000, 0.0002636100000000 ] - [ -0.0166766800000000, -0.0007755100000000, -0.0021922200000000 ] - [ -0.0165495700000000, -0.0006261400000000, 0.0019895900000000 ] - [ -0.0189675700000000, 0.0043942600000000, 0.0161757300000000 ] - [ -0.0145011400000000, 0.0002167900000000, -0.0005555700000000 ] - [ -0.0191348100000000, 0.0048002700000000, -0.0166307200000000 ] - [ 0.0134672400000000, 0.0010681800000000, -0.0004148200000000 ] - [ 0.0141191200000000, 0.0006660200000000, -0.0015951500000000 ] - [ 0.0141085200000000, 0.0006779700000000, 0.0009445100000000 ] - [ -0.0144499900000000, -0.0099296000000000, 0.0009440900000000 ] - [ -0.0015422500000000, -0.0017339800000000, 0.0008139500000000 ] - [ -0.0012080300000000, -0.0012696300000000, -0.0010038200000000 ] - [ -0.0030574900000000, -0.0024462000000000, 0.0000778600000000 ] - [ -0.0015446800000000, -0.0015076300000000, 0.0000393300000000 ] - [ -0.0029940700000000, -0.0024081300000000, -0.0001794600000000 ] - [ 0.0089603400000000, -0.0129924300000000, -0.0008902200000000 ] - [ 0.0033961400000000, -0.0030003300000000, 0.0002025500000000 ] - [ 0.0035605600000000, -0.0032444200000000, -0.0003937000000000 ] - [ -0.0005577300000000, -0.0009045900000000, 0.0002902400000000 ] - [ -0.0005945500000000, -0.0008383000000000, -0.0005194700000000 ] - [ -0.0006305700000000, 0.0001764600000000, -0.0001962400000000 ] - [ 0.0442293800000000, 0.0645773000000000, 0.0004143700000000 ] - [ 0.0074065600000000, 0.0077985600000000, -0.0004833100000000 ] - [ 0.0076468100000000, 0.0081385200000000, 0.0001179000000000 ] - [ -0.0089394700000000, -0.0100484000000000, 0.0030303100000000 ] - [ -0.0091551500000000, -0.0104923400000000, -0.0041277200000000 ] - [ -0.0021529000000000, -0.0024257400000000, -0.0003128900000000 ] - [ -0.0105744500000000, 0.0142516600000000, 0.0021405900000000 ] - [ -0.0020553200000000, 0.0025460200000000, 0.0006654900000000 ] - [ -0.0017108300000000, 0.0020480800000000, -0.0011915300000000 ] - [ -0.0027159600000000, 0.0029902600000000, -0.0000916300000000 ] - [ -0.0015745800000000, 0.0017977700000000, 0.0000377700000000 ] - [ -0.0026524000000000, 0.0029210600000000, -0.0002502100000000 ] - [ -0.0004101900000000, -0.0015371100000000, -0.0005370700000000 ] - [ -0.0004711600000000, -0.0016910100000000, 0.0004687400000000 ] - [ -0.0020153700000000, -0.0008139200000000, -0.0000131900000000 ] - [ 0.0072104400000000, 0.0011313300000000, 0.0001058700000000 ] - [ 0.0052460600000000, 0.0013519400000000, -0.0008309200000000 ] - [ 0.0052653300000000, 0.0013522000000000, 0.0009967000000000 ] - [ 0.0002080900000000, -0.0000323700000000, 0.0042435700000000 ] - [ 0.0017298200000000, -0.0000655500000000, 0.0000213000000000 ] - [ 0.0002883600000000, -0.0001061100000000, -0.0044072300000000 ] - [ 0.1663070200000000, -0.0821631700000000, 0.0016614300000000 ] - [ 0.0078986000000000, -0.0040918200000000, 0.0020028800000000 ] - [ 0.0075371600000000, -0.0038958600000000, -0.0015441700000000 ] - [ 0.0010050100000000, -0.0000263500000000, 0.0026733300000000 ] - [ 0.0018307000000000, 0.0000921300000000, 0.0000362000000000 ] - [ 0.0010665800000000, 0.0000613200000000, -0.0028397400000000 ] - [ -0.0073656100000000, -0.0013385000000000, -0.0001239000000000 ] - [ -0.0055689300000000, -0.0008737800000000, 0.0002120500000000 ] - [ -0.0055265200000000, -0.0008457100000000, -0.0004182300000000 ] - [ 0.0266208000000000, -0.0036151800000000, -0.0180309200000000 ] - [ 0.0257557000000000, -0.0033909500000000, 0.0166908400000000 ] - [ -0.0041238100000000, 0.0007754200000000, 0.0000473400000000 ] - [ 0.0090876400000000, 0.0004011100000000, -0.0008448100000000 ] - [ 0.0080704100000000, -0.0017241300000000, -0.0068221000000000 ] - [ 0.0080352700000000, -0.0017076200000000, 0.0069472500000000 ] - [ 0.0006782100000000, 0.0017228800000000, 0.0001620000000000 ] - [ 0.0006623600000000, 0.0010647300000000, 0.0002752800000000 ] - [ 0.0005918400000000, 0.0016752000000000, 0.0003590500000000 ] - [ 0.0140622200000000, 0.0136930100000000, 0.0011902300000000 ] - [ 0.0036610900000000, 0.0015813700000000, 0.0008797400000000 ] - [ 0.0034106900000000, 0.0013869000000000, -0.0005085800000000 ] - [ -0.0084955000000000, 0.0015747600000000, -0.0001273400000000 ] - [ -0.0057026200000000, 0.0009186800000000, 0.0002997100000000 ] - [ -0.0056710800000000, 0.0008946500000000, -0.0005062700000000 ] - [ -0.0048967900000000, -0.0001445100000000, -0.0005646000000000 ] - [ 0.0013751700000000, -0.0012903600000000, 0.0007989800000000 ] - [ 0.0012351100000000, -0.0012030800000000, -0.0008689500000000 ] - [ -0.0058252400000000, -0.0038132700000000, 0.0001609000000000 ] - [ -0.0058444300000000, -0.0038027900000000, -0.0000277400000000 ] - [ -0.0040803000000000, -0.0027581000000000, -0.0001910000000000 ] - [ -0.0035574900000000, -0.0026258700000000, -0.0008702800000000 ] - [ 0.0011177900000000, 0.0009261800000000, 0.0007740000000000 ] - [ 0.0009929400000000, 0.0008465200000000, -0.0006759700000000 ] - [ -0.0081695800000000, 0.0056297200000000, -0.0010959500000000 ] - [ -0.0014384800000000, 0.0008689800000000, 0.0003612200000000 ] - [ -0.0080651600000000, 0.0055523600000000, 0.0020406700000000 ] - [ 0.0149284800000000, -0.0023698800000000, -0.0117564900000000 ] - [ 0.0142609500000000, -0.0028235000000000, 0.0123646000000000 ] - [ 0.0162374000000000, 0.0004092600000000, 0.0004461800000000 ] - [ 0.0007864600000000, 0.0041950600000000, 0.0010156700000000 ] - [ 0.0008925500000000, 0.0041496100000000, -0.0009292600000000 ] - [ 0.0001097600000000, 0.0011108600000000, 0.0000237100000000 ] - [ 0.0111785900000000, -0.0026608900000000, 0.0000908000000000 ] - [ 0.0010022000000000, -0.0021180200000000, -0.0006950400000000 ] - [ 0.0009488000000000, -0.0021792100000000, 0.0007410900000000 ] - [ -0.0011186600000000, 0.0001031800000000, 0.0001373400000000 ] - [ -0.0005949700000000, 0.0000296300000000, -0.0000135300000000 ] - [ -0.0011328400000000, 0.0000877800000000, -0.0001346100000000 ] - [ -0.0015839300000000, -0.0003980800000000, -0.0000426900000000 ] - [ -0.0003078800000000, -0.0000905900000000, 0.0001609400000000 ] - [ -0.0003057400000000, -0.0000879600000000, -0.0002091400000000 ] - [ -0.3631037600000000, 0.0416358700000000, -0.0007704000000000 ] - [ -0.0109568100000000, 0.0004546900000000, 0.0099770200000000 ] - [ -0.0109594800000000, 0.0005244500000000, -0.0097693100000000 ] - [ 0.0292304700000000, 0.0073707900000000, -0.0019255300000000 ] - [ 0.0292579000000000, 0.0075461100000000, 0.0026166700000000 ] - [ 0.0218318500000000, 0.0016130300000000, 0.0005313700000000 ] - [ 0.0730523100000000, -0.0578845200000000, 0.0002417100000000 ] - [ 0.0143732300000000, -0.0005684500000000, -0.0125812200000000 ] - [ 0.0134090600000000, 0.0000521800000000, 0.0129151200000000 ] - [ -0.0067071300000000, -0.0053529000000000, 0.0013178900000000 ] - [ -0.0123609000000000, -0.0014665600000000, 0.0000402700000000 ] - [ -0.0069963300000000, -0.0051440800000000, -0.0010777200000000 ] - [ 0.0036260100000000, 0.0384183900000000, -0.0013839200000000 ] - [ -0.0246634300000000, -0.0018400300000000, -0.0093803600000000 ] - [ -0.0250341400000000, -0.0016302900000000, 0.0094363900000000 ] - [ 0.0174493300000000, -0.0075737500000000, -0.0456768700000000 ] - [ 0.0174486000000000, -0.0071298900000000, 0.0467464600000000 ] - [ -0.0001999400000000, -0.0011766600000000, 0.0001641800000000 ] - [ 0.0068112200000000, -0.0034400600000000, -0.0001783900000000 ] - [ -0.0003031700000000, -0.0006820700000000, -0.0019179700000000 ] - [ -0.0004724200000000, -0.0005542000000000, 0.0015312100000000 ] - [ 0.0100327200000000, -0.0003185100000000, -0.0012051600000000 ] - [ 0.0078017100000000, -0.0001710300000000, -0.0001750100000000 ] - [ 0.0099599300000000, -0.0003603600000000, 0.0008422800000000 ] - [ 0.0131928300000000, 0.0060905900000000, -0.0001723400000000 ] - [ -0.0002272000000000, 0.0005732600000000, -0.0032239000000000 ] - [ -0.0003655200000000, 0.0004169000000000, 0.0028091100000000 ] - [ 0.0116274200000000, -0.0000539000000000, -0.0016525300000000 ] - [ 0.0079832900000000, 0.0000885400000000, -0.0001689800000000 ] - [ 0.0115525500000000, 0.0000057900000000, 0.0012833300000000 ] - [ -0.0222385800000000, 0.0113736000000000, 0.0001048100000000 ] - [ -0.0042451200000000, 0.0013337700000000, 0.0001663800000000 ] - [ -0.0042465600000000, 0.0013657000000000, 0.0003374600000000 ] - [ -0.0046680600000000, -0.0016432000000000, -0.0002792800000000 ] - [ -0.0046666100000000, -0.0014894600000000, 0.0006080300000000 ] - [ -0.0037892500000000, -0.0007470300000000, 0.0001689900000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042799400000000, -0.0016592100000000, -0.0004835500000000 ] - [ 0.0042466300000000, -0.0016447200000000, -0.0003607600000000 ] - [ 0.0019129000000000, -0.0006614100000000, -0.0002643700000000 ] - [ -0.0133639800000000, 0.0010924300000000, 0.0000904700000000 ] - [ -0.0141143400000000, 0.0007671700000000, 0.0025114500000000 ] - [ -0.0142402300000000, 0.0006204500000000, -0.0016125400000000 ] - [ -0.0118007400000000, -0.0044039600000000, -0.0164829600000000 ] - [ -0.0162792900000000, -0.0002107900000000, 0.0001882700000000 ] - [ -0.0116372800000000, -0.0048008900000000, 0.0161060500000000 ] - [ 0.0172958000000000, -0.0010598700000000, 0.0000624700000000 ] - [ 0.0166509500000000, -0.0006609300000000, 0.0012296500000000 ] - [ 0.0166622100000000, -0.0006738000000000, -0.0012796600000000 ] - [ 0.0133046400000000, 0.0091137700000000, -0.0007274400000000 ] - [ 0.0004508700000000, 0.0010199900000000, -0.0006103700000000 ] - [ 0.0001124500000000, 0.0005486900000000, 0.0012082300000000 ] - [ 0.0041129500000000, 0.0031336000000000, 0.0001259900000000 ] - [ 0.0026138900000000, 0.0022016900000000, 0.0001647200000000 ] - [ 0.0040504400000000, 0.0030951600000000, 0.0003841600000000 ] - [ -0.0077919200000000, 0.0121571800000000, 0.0006772900000000 ] - [ -0.0022852600000000, 0.0022647800000000, -0.0004074800000000 ] - [ -0.0024536400000000, 0.0025150100000000, 0.0001894000000000 ] - [ -0.0005245100000000, 0.0015854300000000, -0.0004839800000000 ] - [ -0.0004898700000000, 0.0015234200000000, 0.0003031500000000 ] - [ -0.0004484000000000, 0.0005261500000000, -0.0000102700000000 ] - [ -0.0437851000000000, -0.0661476200000000, -0.0005790000000000 ] - [ -0.0063301100000000, -0.0071111200000000, 0.0002780200000000 ] - [ -0.0065756200000000, -0.0074588900000000, -0.0003143700000000 ] - [ 0.0077923000000000, 0.0092764900000000, -0.0031752900000000 ] - [ 0.0080060700000000, 0.0097126900000000, 0.0038579800000000 ] - [ 0.0010691700000000, 0.0017134400000000, 0.0001060900000000 ] - [ 0.0094241500000000, -0.0134437700000000, -0.0019235000000000 ] - [ 0.0009637600000000, -0.0018314500000000, -0.0004620200000000 ] - [ 0.0006135400000000, -0.0013243100000000, 0.0013910100000000 ] - [ 0.0037723100000000, -0.0036706200000000, 0.0002946800000000 ] - [ 0.0026414000000000, -0.0024885800000000, 0.0001672800000000 ] - [ 0.0037081100000000, -0.0036019000000000, 0.0004539500000000 ] - [ -0.0070920700000000, 0.0004528900000000, 0.0006916600000000 ] - [ -0.0070294400000000, 0.0006046300000000, -0.0003266600000000 ] - [ -0.0055015400000000, -0.0002555500000000, 0.0001613700000000 ] - [ 0.0003466700000000, -0.0000651700000000, 0.0000454300000000 ] - [ 0.0023012900000000, -0.0002695400000000, 0.0009651700000000 ] - [ 0.0022824100000000, -0.0002695900000000, -0.0008299200000000 ] - [ 0.0073040900000000, -0.0010340800000000, -0.0043786900000000 ] - [ 0.0057861800000000, -0.0010036500000000, -0.0001727700000000 ] - [ 0.0072235100000000, -0.0009613100000000, 0.0042422000000000 ] - [ -0.1788289400000000, 0.0916090000000000, -0.0014765300000000 ] - [ -0.0100605600000000, 0.0060102900000000, -0.0016036100000000 ] - [ -0.0096895400000000, 0.0058080200000000, 0.0019997300000000 ] - [ 0.0065012600000000, 0.0010924100000000, -0.0028037500000000 ] - [ 0.0056828200000000, 0.0009767800000000, -0.0001866300000000 ] - [ 0.0064403200000000, 0.0010065000000000, 0.0026721000000000 ] - [ -0.0001961700000000, 0.0002581400000000, -0.0000260600000000 ] - [ -0.0019801800000000, -0.0002034300000000, -0.0003640600000000 ] - [ -0.0020226700000000, -0.0002314900000000, 0.0002679000000000 ] - [ -0.0344252600000000, 0.0047169400000000, 0.0176667400000000 ] - [ -0.0335459500000000, 0.0044915700000000, -0.0160215600000000 ] - [ -0.0033327200000000, 0.0002852900000000, 0.0001020400000000 ] - [ 0.0001780700000000, -0.0021252700000000, 0.0009809600000000 ] - [ -0.0004689400000000, 0.0006350700000000, 0.0068969300000000 ] - [ -0.0004356300000000, 0.0006186000000000, -0.0067218900000000 ] - [ 0.0014563800000000, 0.0001860000000000, 0.0002684000000000 ] - [ 0.0014768200000000, 0.0008426700000000, 0.0001567900000000 ] - [ 0.0015425600000000, 0.0002338600000000, 0.0000752100000000 ] - [ -0.0161014900000000, -0.0155649000000000, -0.0007546300000000 ] - [ -0.0057774400000000, -0.0034731800000000, -0.0004515500000000 ] - [ -0.0055216800000000, -0.0032739600000000, 0.0009375900000000 ] - [ 0.0009341200000000, -0.0004939500000000, -0.0000228700000000 ] - [ -0.0018449200000000, 0.0001582200000000, -0.0004510200000000 ] - [ -0.0018761300000000, 0.0001818800000000, 0.0003587700000000 ] - [ 0.0069634600000000, -0.0016897800000000, 0.0001267300000000 ] - [ 0.0007505500000000, -0.0006043500000000, -0.0012290100000000 ] - [ 0.0008952200000000, -0.0006952700000000, 0.0004391800000000 ] - [ 0.0036393900000000, 0.0018788500000000, -0.0005874600000000 ] - [ 0.0036591100000000, 0.0018681500000000, -0.0004034200000000 ] - [ 0.0019156200000000, 0.0008359300000000, -0.0002411000000000 ] - [ 0.0056446600000000, 0.0044868300000000, 0.0004355300000000 ] - [ 0.0010023700000000, 0.0009669800000000, -0.0011964200000000 ] - [ 0.0011330400000000, 0.0010507400000000, 0.0002447100000000 ] - [ 0.0102656300000000, -0.0074999000000000, 0.0015264100000000 ] - [ 0.0035732600000000, -0.0027720800000000, 0.0000693400000000 ] - [ 0.0101614100000000, -0.0074237300000000, -0.0016073600000000 ] - [ 0.0158456500000000, 0.0023655300000000, 0.0120303000000000 ] - [ 0.0165061400000000, 0.0028134400000000, -0.0118711300000000 ] - [ 0.0145420700000000, -0.0004108600000000, -0.0000840100000000 ] - [ -0.0007653700000000, -0.0041498900000000, -0.0009480000000000 ] - [ -0.0008681000000000, -0.0041078100000000, 0.0009442600000000 ] - [ -0.0000960600000000, -0.0011071300000000, 0.0000175700000000 ] - [ -0.0112770500000000, 0.0024757200000000, -0.0000558100000000 ] - [ -0.0010029700000000, 0.0021329300000000, 0.0007317400000000 ] - [ -0.0009512100000000, 0.0021939700000000, -0.0006976300000000 ] - [ 0.0010996000000000, -0.0001028800000000, -0.0001795400000000 ] - [ 0.0005793100000000, -0.0000309100000000, -0.0000273600000000 ] - [ 0.0011134400000000, -0.0000937400000000, 0.0000948700000000 ] - [ 0.0015779400000000, 0.0004042700000000, 0.0000014700000000 ] - [ 0.0003136200000000, 0.0000928400000000, -0.0002012100000000 ] - [ 0.0003119300000000, 0.0000887500000000, 0.0001683000000000 ] - [ 0.3785416000000000, -0.0457236600000000, 0.0013405900000000 ] - [ 0.0169464400000000, -0.0000456900000000, -0.0096739100000000 ] - [ 0.0169436900000000, -0.0001048300000000, 0.0101329500000000 ] - [ 0.0057736000000000, -0.0072989700000000, 0.0020930400000000 ] - [ 0.0057436200000000, -0.0074726400000000, -0.0023700100000000 ] - [ 0.0130762500000000, -0.0016032100000000, -0.0003189400000000 ] - [ -0.0380918600000000, 0.0578161600000000, -0.0003988900000000 ] - [ 0.0205104900000000, 0.0005617800000000, 0.0123830300000000 ] - [ 0.0214776400000000, -0.0000614000000000, -0.0130433100000000 ] - [ -0.0280974700000000, 0.0053137100000000, -0.0015109400000000 ] - [ -0.0224944900000000, 0.0014582300000000, -0.0002476700000000 ] - [ -0.0278116600000000, 0.0051075700000000, 0.0008576700000000 ] - [ -0.0382697000000000, -0.0381455600000000, 0.0015420200000000 ] - [ -0.0102316700000000, 0.0018530900000000, 0.0095070800000000 ] - [ -0.0098602000000000, 0.0016414800000000, -0.0091983000000000 ] - [ -0.0233325000000000, 0.0070243300000000, 0.0454187600000000 ] - [ -0.0233332700000000, 0.0065872100000000, -0.0458032600000000 ] - [ -0.0058227200000000, 0.0007606600000000, 0.0001712900000000 ] - [ -0.0127201800000000, 0.0038470200000000, -0.0001569500000000 ] - [ -0.0056636400000000, 0.0011123200000000, 0.0015720600000000 ] - [ -0.0054937500000000, 0.0009767600000000, -0.0018566600000000 ] - [ -0.0039708500000000, -0.0000998200000000, 0.0008632000000000 ] - [ -0.0017610900000000, -0.0002517900000000, -0.0001610000000000 ] - [ -0.0038986900000000, -0.0000582400000000, -0.0011740400000000 ] - [ -0.0191512700000000, -0.0065159600000000, -0.0001666300000000 ] - [ -0.0057470800000000, -0.0010067100000000, 0.0028851000000000 ] - [ -0.0056089700000000, -0.0008423100000000, -0.0031396200000000 ] - [ -0.0055641100000000, 0.0004756900000000, 0.0013103600000000 ] - [ -0.0019480100000000, 0.0003362200000000, -0.0001664800000000 ] - [ -0.0054879900000000, 0.0004157300000000, -0.0016132300000000 ] - [ 0.0280564700000000, -0.0115932700000000, 0.0002302700000000 ] - [ 0.0101944000000000, -0.0017529300000000, 0.0001853100000000 ] - [ 0.0101927500000000, -0.0017928900000000, -0.0000139700000000 ] - [ -0.0013488300000000, 0.0020718000000000, 0.0005927100000000 ] - [ -0.0013470500000000, 0.0019183600000000, -0.0002498000000000 ] - [ -0.0022219400000000, 0.0011678000000000, 0.0001677300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015955300000000, 0.0015398300000000, -0.0001362700000000 ] - [ -0.0015347100000000, 0.0014863300000000, -0.0002148800000000 ] - [ -0.0012263000000000, 0.0011552400000000, -0.0002110300000000 ] - [ -0.0164877700000000, 0.0005292200000000, 0.0005355200000000 ] - [ -0.0154897700000000, 0.0003410500000000, -0.0000487600000000 ] - [ -0.0154968800000000, 0.0002760800000000, 0.0005925500000000 ] - [ -0.0117382200000000, -0.0021646800000000, -0.0102871400000000 ] - [ -0.0152129600000000, 0.0000615500000000, 0.0000028200000000 ] - [ -0.0116307300000000, -0.0025029000000000, 0.0093206000000000 ] - [ 0.0156955600000000, -0.0005571900000000, -0.0001554400000000 ] - [ 0.0155599900000000, -0.0003444200000000, 0.0002940900000000 ] - [ 0.0155447700000000, -0.0003478900000000, -0.0005336700000000 ] - [ 0.0145026000000000, 0.0150931800000000, -0.0008591100000000 ] - [ 0.0015020600000000, 0.0028674700000000, -0.0002411100000000 ] - [ 0.0012538200000000, 0.0024629100000000, 0.0004861300000000 ] - [ 0.0010968300000000, 0.0009971800000000, 0.0001676300000000 ] - [ 0.0007189900000000, 0.0005761300000000, 0.0001017800000000 ] - [ 0.0010321900000000, 0.0009427200000000, 0.0000367200000000 ] - [ 0.0182207400000000, -0.0374578700000000, -0.0018633200000000 ] - [ 0.0039687500000000, -0.0059083600000000, 0.0001261100000000 ] - [ 0.0040912500000000, -0.0060994000000000, -0.0003008500000000 ] - [ -0.0017584900000000, -0.0015259000000000, 0.0010711400000000 ] - [ -0.0019123600000000, -0.0011187000000000, -0.0012799700000000 ] - [ -0.0008281900000000, 0.0003322700000000, -0.0001044300000000 ] - [ 0.0383183800000000, 0.1264395900000000, 0.0023232400000000 ] - [ 0.0031083700000000, 0.0044117600000000, 0.0008284200000000 ] - [ 0.0033546400000000, 0.0049219800000000, -0.0004208100000000 ] - [ 0.0012114900000000, 0.0063198400000000, -0.0000847400000000 ] - [ 0.0012553500000000, 0.0062159500000000, 0.0001564800000000 ] - [ -0.0000250300000000, 0.0008037900000000, -0.0000397300000000 ] - [ 0.0089856800000000, -0.0133484300000000, -0.0013744200000000 ] - [ 0.0017367700000000, -0.0031025400000000, -0.0002683200000000 ] - [ 0.0014752700000000, -0.0026920600000000, 0.0006748200000000 ] - [ 0.0010442000000000, -0.0013517300000000, 0.0002457800000000 ] - [ 0.0007545700000000, -0.0007584400000000, 0.0001069800000000 ] - [ 0.0009776300000000, -0.0012620600000000, 0.0000881800000000 ] - [ -0.0038789700000000, -0.0056099900000000, 0.0063447100000000 ] - [ -0.0037397700000000, -0.0057992700000000, -0.0064897800000000 ] - [ -0.0044506200000000, -0.0015267500000000, 0.0000735800000000 ] - [ 0.0006473100000000, -0.0056173500000000, -0.0000042100000000 ] - [ 0.0033143700000000, -0.0005850900000000, -0.0005730600000000 ] - [ 0.0033571600000000, -0.0005561900000000, 0.0008151400000000 ] - [ 0.0037571400000000, 0.0000623500000000, 0.0002647000000000 ] - [ 0.0037875200000000, -0.0003644100000000, -0.0000231900000000 ] - [ 0.0038261400000000, 0.0000318600000000, -0.0004133300000000 ] - [ -0.0917449800000000, 0.0714212400000000, -0.0003699500000000 ] - [ -0.0037766400000000, 0.0037645000000000, -0.0006464100000000 ] - [ -0.0034922900000000, 0.0034816700000000, 0.0012455500000000 ] - [ 0.0037388400000000, 0.0000760300000000, 0.0000954000000000 ] - [ 0.0037942300000000, 0.0003659500000000, -0.0000312400000000 ] - [ 0.0038361800000000, 0.0001028100000000, -0.0002396500000000 ] - [ -0.0044952600000000, -0.0009610900000000, -0.0001508200000000 ] - [ -0.0038682500000000, -0.0006867100000000, -0.0000353200000000 ] - [ -0.0038491200000000, -0.0006759200000000, -0.0000488700000000 ] - [ -0.0098722600000000, 0.0167063400000000, 0.0065246600000000 ] - [ -0.0091333200000000, 0.0162418700000000, -0.0048185700000000 ] - [ -0.0035641900000000, 0.0015823200000000, 0.0001924700000000 ] - [ 0.0152720500000000, 0.0061057300000000, 0.0001975900000000 ] - [ 0.0020681700000000, 0.0003830000000000, 0.0026082600000000 ] - [ 0.0020216900000000, 0.0004108100000000, -0.0021794100000000 ] - [ -0.0004095400000000, -0.0012059800000000, 0.0001238600000000 ] - [ 0.0003596700000000, 0.0002291600000000, 0.0002359400000000 ] - [ -0.0004366600000000, -0.0011950500000000, 0.0003656600000000 ] - [ -0.0032601000000000, -0.0167044600000000, -0.0001295700000000 ] - [ -0.0015685100000000, -0.0018041700000000, -0.0003284600000000 ] - [ -0.0014760300000000, -0.0016950300000000, 0.0009878400000000 ] - [ -0.0041488300000000, 0.0010481900000000, -0.0001392200000000 ] - [ -0.0038208900000000, 0.0006829800000000, 0.0000138100000000 ] - [ -0.0038084900000000, 0.0006735200000000, -0.0001011800000000 ] - [ -0.0197203500000000, 0.0089467600000000, -0.0011743900000000 ] - [ -0.0011674500000000, 0.0006535800000000, 0.0005200100000000 ] - [ -0.0010884800000000, 0.0006545000000000, -0.0006167200000000 ] - [ -0.0017227500000000, -0.0013223700000000, -0.0001792100000000 ] - [ -0.0016729500000000, -0.0012755700000000, -0.0002410700000000 ] - [ -0.0012147200000000, -0.0010578000000000, -0.0002027300000000 ] - [ -0.0136725800000000, -0.0102227100000000, -0.0019494200000000 ] - [ -0.0017722700000000, -0.0012782600000000, 0.0009327400000000 ] - [ -0.0016797600000000, -0.0012374000000000, -0.0007782600000000 ] - [ 0.0038891800000000, -0.0024038800000000, 0.0010718700000000 ] - [ 0.0014705100000000, -0.0012414100000000, 0.0001983100000000 ] - [ 0.0036342600000000, -0.0021975900000000, -0.0007231400000000 ] - [ 0.0120829500000000, -0.0041536200000000, -0.0166466000000000 ] - [ 0.0108863100000000, -0.0050631700000000, 0.0189600900000000 ] - [ 0.0150999300000000, -0.0001658300000000, 0.0009153500000000 ] - [ 0.0012048100000000, -0.0022894700000000, -0.0000527700000000 ] - [ 0.0014125600000000, -0.0024063300000000, 0.0001574000000000 ] - [ 0.0001173000000000, -0.0005752600000000, 0.0000248300000000 ] - [ 0.0079562600000000, -0.0076366700000000, 0.0002787900000000 ] - [ 0.0004755300000000, 0.0006781500000000, -0.0006046300000000 ] - [ 0.0005000800000000, 0.0006535400000000, 0.0006588800000000 ] - [ 0.0001860400000000, 0.0000157600000000, -0.0000693500000000 ] - [ 0.0000719400000000, 0.0000004100000000, -0.0000221100000000 ] - [ 0.0001635300000000, 0.0000189400000000, -0.0000119000000000 ] - [ -0.0011657700000000, -0.0002928700000000, -0.0000510200000000 ] - [ -0.0000185900000000, -0.0000034900000000, 0.0000069500000000 ] - [ -0.0000276600000000, -0.0000036600000000, -0.0000133700000000 ] - [ 0.0514316500000000, -0.3079629800000000, 0.0038558600000000 ] - [ 0.0033052900000000, -0.0074858000000000, 0.0011991500000000 ] - [ 0.0032441500000000, -0.0074800600000000, -0.0013648100000000 ] - [ 0.0202372800000000, -0.0030539300000000, -0.0023428200000000 ] - [ 0.0196214600000000, -0.0032114100000000, 0.0017935200000000 ] - [ 0.0177352900000000, -0.0008333300000000, -0.0000741300000000 ] - [ -0.0359733400000000, 0.0347121600000000, -0.0004757600000000 ] - [ 0.0143665700000000, -0.0005234500000000, 0.0079839300000000 ] - [ 0.0150965900000000, -0.0005799800000000, -0.0079584900000000 ] - [ -0.0191520100000000, 0.0027093600000000, -0.0006731100000000 ] - [ -0.0176693900000000, 0.0007836000000000, -0.0001769000000000 ] - [ -0.0189180400000000, 0.0025347200000000, 0.0004158000000000 ] - [ 0.0458842800000000, 0.0797707900000000, -0.0033722900000000 ] - [ -0.0184322300000000, 0.0016786400000000, -0.0133619200000000 ] - [ -0.0188865800000000, 0.0015882200000000, 0.0119423100000000 ] - [ -0.0099055700000000, -0.0097412800000000, 0.0188035300000000 ] - [ -0.0103407100000000, -0.0097448200000000, -0.0187715100000000 ] - [ -0.0039762300000000, -0.0008795300000000, -0.0000083700000000 ] - [ 0.0006663800000000, 0.0121772800000000, 0.0002954600000000 ] - [ -0.0020967100000000, 0.0037766300000000, -0.0003573200000000 ] - [ -0.0022309700000000, 0.0034746000000000, -0.0001508100000000 ] - [ 0.0031217000000000, 0.0010232000000000, -0.0003013800000000 ] - [ 0.0029668300000000, 0.0002745400000000, -0.0002090200000000 ] - [ 0.0031631700000000, 0.0009997000000000, -0.0000002800000000 ] - [ 0.0033042100000000, -0.0196811500000000, 0.0002772500000000 ] - [ -0.0022054700000000, -0.0035293900000000, -0.0004407600000000 ] - [ -0.0023684100000000, -0.0032302900000000, -0.0000400500000000 ] - [ 0.0027477600000000, -0.0010728500000000, -0.0002570500000000 ] - [ 0.0028825200000000, -0.0002364500000000, -0.0002087700000000 ] - [ 0.0028080200000000, -0.0010614200000000, -0.0000504700000000 ] - [ -0.0085167900000000, 0.0592360300000000, 0.0006758600000000 ] - [ 0.0014017200000000, 0.0055306400000000, 0.0047418300000000 ] - [ 0.0014396300000000, 0.0055242500000000, -0.0042834400000000 ] - [ -0.0012781400000000, 0.0100828200000000, -0.0034641300000000 ] - [ -0.0011234300000000, 0.0100841200000000, 0.0037676300000000 ] - [ -0.0020370900000000, 0.0019381900000000, 0.0001010000000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005666600000000, 0.0003813400000000, -0.0002919600000000 ] - [ -0.0006274000000000, 0.0004336400000000, -0.0002149600000000 ] - [ -0.0009244300000000, 0.0007589100000000, -0.0002195400000000 ] - [ -0.0143088700000000, -0.0005266100000000, -0.0001840200000000 ] - [ -0.0152944200000000, -0.0003386900000000, 0.0003839500000000 ] - [ -0.0152867800000000, -0.0002727900000000, -0.0002332100000000 ] - [ -0.0190164300000000, 0.0021673100000000, 0.0099405800000000 ] - [ -0.0155643300000000, -0.0000571900000000, -0.0003586500000000 ] - [ -0.0191344500000000, 0.0025098700000000, -0.0097345200000000 ] - [ 0.0150801700000000, 0.0005520600000000, -0.0001933900000000 ] - [ 0.0152161200000000, 0.0003417000000000, -0.0006446000000000 ] - [ 0.0152319200000000, 0.0003443000000000, 0.0001884900000000 ] - [ -0.0156598300000000, -0.0158665800000000, 0.0010682000000000 ] - [ -0.0025808100000000, -0.0035653900000000, 0.0004461600000000 ] - [ -0.0023353400000000, -0.0031662900000000, -0.0002820000000000 ] - [ -0.0000267000000000, -0.0003019000000000, 0.0000373800000000 ] - [ 0.0003575400000000, 0.0001241000000000, 0.0001024800000000 ] - [ 0.0000383400000000, -0.0002486700000000, 0.0001672100000000 ] - [ -0.0170442600000000, 0.0367160700000000, 0.0016484400000000 ] - [ -0.0028610100000000, 0.0051733300000000, -0.0003355000000000 ] - [ -0.0029930300000000, 0.0053787400000000, 0.0001029100000000 ] - [ 0.0006469600000000, 0.0022265700000000, -0.0012609700000000 ] - [ 0.0007995200000000, 0.0018223000000000, 0.0010557500000000 ] - [ -0.0002597500000000, 0.0003801500000000, -0.0001019000000000 ] - [ -0.0426773200000000, -0.1352508200000000, -0.0024023800000000 ] - [ -0.0020343800000000, -0.0037224800000000, -0.0010278600000000 ] - [ -0.0022975600000000, -0.0042574100000000, 0.0002182200000000 ] - [ -0.0022856300000000, -0.0069828200000000, -0.0001051600000000 ] - [ -0.0023330400000000, -0.0068839700000000, -0.0003761000000000 ] - [ -0.0010547000000000, -0.0015042100000000, -0.0001659900000000 ] - [ -0.0100857900000000, 0.0140377400000000, 0.0015728300000000 ] - [ -0.0028153500000000, 0.0038031800000000, 0.0004718100000000 ] - [ -0.0025578500000000, 0.0034000100000000, -0.0004702500000000 ] - [ 0.0000285600000000, 0.0006510800000000, -0.0000401500000000 ] - [ 0.0003219000000000, 0.0000559900000000, 0.0000982900000000 ] - [ 0.0000940700000000, 0.0005617300000000, 0.0001173500000000 ] - [ -0.0036435000000000, 0.0045039200000000, -0.0061745400000000 ] - [ -0.0037813700000000, 0.0046902800000000, 0.0066125700000000 ] - [ -0.0030784800000000, 0.0004534300000000, 0.0000768500000000 ] - [ 0.0069030900000000, 0.0067010100000000, 0.0001540500000000 ] - [ 0.0042219300000000, 0.0016640000000000, 0.0007036700000000 ] - [ 0.0041787300000000, 0.0016352900000000, -0.0006446400000000 ] - [ 0.0037667800000000, -0.0011339600000000, -0.0003993400000000 ] - [ 0.0037377500000000, -0.0007070200000000, -0.0001262800000000 ] - [ 0.0036977100000000, -0.0011044200000000, 0.0002453500000000 ] - [ 0.0857624700000000, -0.0686721100000000, 0.0007244100000000 ] - [ 0.0016240000000000, -0.0018430500000000, 0.0010657600000000 ] - [ 0.0013419600000000, -0.0015622200000000, -0.0008054300000000 ] - [ 0.0037851000000000, 0.0009950100000000, -0.0002369600000000 ] - [ 0.0037316400000000, 0.0007058600000000, -0.0001168100000000 ] - [ 0.0036890000000000, 0.0009686800000000, 0.0000814400000000 ] - [ -0.0030518600000000, -0.0001151300000000, -0.0000001700000000 ] - [ -0.0036704700000000, -0.0003879700000000, -0.0001155900000000 ] - [ -0.0036886800000000, -0.0003983800000000, -0.0001013600000000 ] - [ 0.0020738900000000, -0.0156049500000000, -0.0059657200000000 ] - [ 0.0013299200000000, -0.0151550200000000, 0.0045379600000000 ] - [ -0.0039316900000000, -0.0005123700000000, -0.0000438900000000 ] - [ -0.0076940200000000, -0.0074302300000000, -0.0000430500000000 ] - [ 0.0054744200000000, -0.0014618400000000, -0.0024636600000000 ] - [ 0.0055210400000000, -0.0014897100000000, 0.0023323400000000 ] - [ 0.0025211700000000, 0.0030950600000000, 0.0003094800000000 ] - [ 0.0017700700000000, 0.0016699100000000, 0.0001960700000000 ] - [ 0.0025485600000000, 0.0030846600000000, 0.0000677300000000 ] - [ 0.0011787900000000, 0.0148308900000000, 0.0005660200000000 ] - [ -0.0005521400000000, -0.0000900700000000, 0.0007534600000000 ] - [ -0.0006418800000000, -0.0001960100000000, -0.0005538000000000 ] - [ -0.0034074500000000, 0.0000324700000000, -0.0000117000000000 ] - [ -0.0037171500000000, 0.0003922400000000, -0.0001605600000000 ] - [ -0.0037284800000000, 0.0004011600000000, -0.0000499700000000 ] - [ 0.0219269400000000, -0.0108149100000000, 0.0007410800000000 ] - [ 0.0033026400000000, -0.0025561800000000, -0.0009500600000000 ] - [ 0.0032331400000000, -0.0025645800000000, 0.0001889200000000 ] - [ -0.0004404100000000, -0.0005954000000000, -0.0002506400000000 ] - [ -0.0004883800000000, -0.0006416400000000, -0.0001908900000000 ] - [ -0.0009359200000000, -0.0008546400000000, -0.0002289700000000 ] - [ 0.0157783700000000, 0.0121002400000000, 0.0015269400000000 ] - [ 0.0038997800000000, 0.0031745900000000, -0.0013577800000000 ] - [ 0.0038200200000000, 0.0031429600000000, 0.0003534400000000 ] - [ -0.0017297900000000, 0.0004770000000000, -0.0006351600000000 ] - [ 0.0006718100000000, -0.0006690000000000, 0.0002314600000000 ] - [ -0.0014728200000000, 0.0002676000000000, 0.0011483400000000 ] - [ 0.0187395500000000, 0.0041899600000000, 0.0170116200000000 ] - [ 0.0199270100000000, 0.0050954700000000, -0.0184370400000000 ] - [ 0.0156805800000000, 0.0001635100000000, -0.0005427500000000 ] - [ -0.0012314900000000, 0.0022870700000000, 0.0001049300000000 ] - [ -0.0014357300000000, 0.0024006500000000, -0.0001274200000000 ] - [ -0.0001093600000000, 0.0005671500000000, 0.0000162500000000 ] - [ -0.0075253900000000, 0.0086651600000000, -0.0002315900000000 ] - [ -0.0004748100000000, -0.0006599500000000, 0.0006333000000000 ] - [ -0.0005013600000000, -0.0006341100000000, -0.0006075800000000 ] - [ -0.0001975000000000, -0.0000130500000000, 0.0000277600000000 ] - [ -0.0000815900000000, -0.0000008900000000, -0.0000188900000000 ] - [ -0.0001747700000000, -0.0000220400000000, -0.0000285300000000 ] - [ 0.0011696400000000, 0.0002893700000000, 0.0000097800000000 ] - [ 0.0000240500000000, 0.0000030500000000, -0.0000472300000000 ] - [ 0.0000341800000000, 0.0000014800000000, -0.0000273000000000 ] - [ -0.0356969200000000, 0.3163394900000000, -0.0036010200000000 ] - [ 0.0026774300000000, 0.0078680600000000, -0.0009381700000000 ] - [ 0.0027449000000000, 0.0078737300000000, 0.0017913800000000 ] - [ 0.0147126200000000, 0.0030306700000000, 0.0025227300000000 ] - [ 0.0153254400000000, 0.0031900100000000, -0.0015549900000000 ] - [ 0.0171653200000000, 0.0008256700000000, 0.0002861300000000 ] - [ 0.0708558600000000, -0.0348307300000000, 0.0003080100000000 ] - [ 0.0204966400000000, 0.0005078300000000, -0.0081733500000000 ] - [ 0.0197754900000000, 0.0005609400000000, 0.0077721200000000 ] - [ -0.0157059100000000, -0.0026871800000000, 0.0004615700000000 ] - [ -0.0172005400000000, -0.0007758900000000, -0.0000330000000000 ] - [ -0.0159406800000000, -0.0025113600000000, -0.0006269600000000 ] - [ -0.0811288100000000, -0.0800679700000000, 0.0034915500000000 ] - [ -0.0164736000000000, -0.0016648000000000, 0.0135082900000000 ] - [ -0.0160106400000000, -0.0015693800000000, -0.0117949800000000 ] - [ 0.0038095500000000, 0.0093981300000000, -0.0184147400000000 ] - [ 0.0042558600000000, 0.0093943100000000, 0.0190554300000000 ] - [ -0.0020404300000000, 0.0004636300000000, 0.0003439300000000 ] - [ -0.0066212400000000, -0.0117404000000000, -0.0006277900000000 ] - [ -0.0038925800000000, -0.0033411300000000, 0.0000156500000000 ] - [ -0.0037633600000000, -0.0030477100000000, -0.0001821300000000 ] - [ 0.0029041700000000, -0.0014447500000000, -0.0000386200000000 ] - [ 0.0030485400000000, -0.0006985100000000, -0.0001282500000000 ] - [ 0.0028623700000000, -0.0014213200000000, -0.0003316700000000 ] - [ -0.0093037600000000, 0.0193076300000000, -0.0006155800000000 ] - [ -0.0037865100000000, 0.0030959000000000, 0.0000962600000000 ] - [ -0.0036284700000000, 0.0028053600000000, -0.0002866000000000 ] - [ 0.0032784800000000, 0.0014946900000000, -0.0000909900000000 ] - [ 0.0031311500000000, 0.0006607600000000, -0.0001277000000000 ] - [ 0.0032192600000000, 0.0014830200000000, -0.0002725600000000 ] - [ 0.0144523700000000, -0.0594370800000000, -0.0003360000000000 ] - [ 0.0045613800000000, -0.0059409100000000, -0.0043658300000000 ] - [ 0.0045268100000000, -0.0059474400000000, 0.0045815300000000 ] - [ -0.0046865700000000, -0.0096502100000000, 0.0037813600000000 ] - [ -0.0048389500000000, -0.0096489000000000, -0.0034123900000000 ] - [ -0.0039529100000000, -0.0015067700000000, 0.0002347800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003848700000000, 0.0004222700000000, -0.0002228400000000 ] - [ -0.0026145900000000, 0.0015285300000000, 0.0000745000000000 ] - [ -0.0010589700000000, 0.0009369700000000, -0.0004985000000000 ] - [ -0.0153206700000000, 0.0000162600000000, 0.0038401500000000 ] - [ -0.0157889800000000, -0.0002212700000000, -0.0015463600000000 ] - [ -0.0150864700000000, 0.0001889200000000, -0.0017687700000000 ] - [ -0.0143032300000000, -0.0008432300000000, 0.0023645200000000 ] - [ -0.0154033100000000, 0.0000472900000000, -0.0062949800000000 ] - [ -0.0167004200000000, 0.0009694500000000, 0.0031311100000000 ] - [ 0.0154193800000000, 0.0000089300000000, 0.0033231400000000 ] - [ 0.0150113100000000, 0.0002164300000000, -0.0020213400000000 ] - [ 0.0157122400000000, -0.0002127100000000, -0.0018546100000000 ] - [ -0.0010163000000000, -0.0008642400000000, 0.0009122400000000 ] - [ 0.0013005000000000, 0.0006985400000000, -0.0003743900000000 ] - [ -0.0022039900000000, -0.0011790100000000, -0.0000676900000000 ] - [ -0.0005280500000000, -0.0002924200000000, 0.0001421700000000 ] - [ 0.0004849800000000, 0.0002774700000000, -0.0002283600000000 ] - [ 0.0016089800000000, 0.0010275800000000, 0.0003919100000000 ] - [ 0.0002715100000000, 0.0001674600000000, 0.0008561300000000 ] - [ 0.0004204400000000, 0.0002419900000000, -0.0004910200000000 ] - [ 0.0007197800000000, -0.0009888900000000, -0.0008139700000000 ] - [ -0.0001805300000000, -0.0000544700000000, 0.0002749600000000 ] - [ -0.0008605400000000, 0.0006612300000000, 0.0004140500000000 ] - [ -0.0005796900000000, 0.0004504500000000, -0.0008985200000000 ] - [ 0.0003294500000000, -0.0007209500000000, 0.0138755200000000 ] - [ 0.0110619200000000, 0.0154189600000000, -0.0064262800000000 ] - [ -0.0098109400000000, -0.0144527300000000, -0.0055588400000000 ] - [ 0.0060340700000000, 0.0051813400000000, 0.0010306800000000 ] - [ -0.0071283700000000, -0.0058848900000000, 0.0004130100000000 ] - [ -0.0006024900000000, -0.0005043300000000, -0.0017491500000000 ] - [ -0.0010146700000000, 0.0011074300000000, 0.0006986800000000 ] - [ 0.0009905500000000, -0.0014831500000000, -0.0005113200000000 ] - [ -0.0018769700000000, 0.0019095300000000, 0.0002395600000000 ] - [ -0.0005601400000000, 0.0010625300000000, -0.0000969100000000 ] - [ 0.0004776500000000, -0.0002654500000000, -0.0002116500000000 ] - [ 0.0016536500000000, -0.0017979300000000, 0.0006368600000000 ] - [ -0.0041580700000000, -0.0006865700000000, 0.0024898000000000 ] - [ -0.0033771100000000, -0.0003373000000000, 0.0025063600000000 ] - [ -0.0037332100000000, -0.0005431800000000, -0.0049233300000000 ] - [ 0.0038277400000000, 0.0005573700000000, 0.0037313800000000 ] - [ 0.0028994500000000, 0.0001939600000000, -0.0018056900000000 ] - [ 0.0046152800000000, 0.0009545000000000, -0.0017486500000000 ] - [ 0.0036524300000000, -0.0004372700000000, 0.0011078500000000 ] - [ 0.0037823200000000, -0.0005481900000000, -0.0022681200000000 ] - [ 0.0038204200000000, -0.0006276700000000, 0.0009173800000000 ] - [ 0.0027291000000000, -0.0014067300000000, 0.0227331700000000 ] - [ 0.0090899700000000, -0.0062318200000000, -0.0028557700000000 ] - [ -0.0111741900000000, 0.0080845600000000, -0.0031830700000000 ] - [ 0.0035851600000000, 0.0004751600000000, 0.0008209900000000 ] - [ 0.0037784200000000, 0.0005515200000000, -0.0016770400000000 ] - [ 0.0038883500000000, 0.0005985700000000, 0.0006335300000000 ] - [ -0.0037530100000000, -0.0005258100000000, 0.0012261300000000 ] - [ -0.0034063800000000, -0.0004244400000000, -0.0006912600000000 ] - [ -0.0041432100000000, -0.0006646700000000, -0.0007726800000000 ] - [ -0.0106404800000000, -0.0026349100000000, 0.0482644800000000 ] - [ 0.0041094000000000, 0.0037568800000000, 0.0496269200000000 ] - [ -0.0036135400000000, 0.0005135300000000, -0.0307198300000000 ] - [ 0.0021606900000000, -0.0001582300000000, 0.0268332800000000 ] - [ -0.0042666500000000, 0.0019648700000000, -0.0121854700000000 ] - [ 0.0116405300000000, -0.0030235800000000, -0.0119390700000000 ] - [ 0.0004596900000000, 0.0018130600000000, 0.0003472000000000 ] - [ 0.0011045000000000, 0.0009897000000000, -0.0001106400000000 ] - [ 0.0016425400000000, 0.0000775100000000, 0.0004009200000000 ] - [ -0.0006565900000000, -0.0004414500000000, 0.0009697300000000 ] - [ -0.0008423500000000, -0.0022344900000000, -0.0002216100000000 ] - [ -0.0014271000000000, 0.0002179400000000, -0.0001046800000000 ] - [ -0.0037924500000000, 0.0005322800000000, 0.0015074600000000 ] - [ -0.0033173200000000, 0.0003919600000000, -0.0008307600000000 ] - [ -0.0042353400000000, 0.0006897400000000, -0.0009068200000000 ] - [ 0.0014378500000000, -0.0011518100000000, 0.0007177900000000 ] - [ 0.0034380900000000, -0.0016639900000000, -0.0003402800000000 ] - [ -0.0013840800000000, -0.0001805100000000, -0.0008019000000000 ] - [ -0.0001064300000000, -0.0003456400000000, -0.0002863200000000 ] - [ -0.0021022400000000, -0.0016124300000000, 0.0001225300000000 ] - [ -0.0010628900000000, -0.0009388400000000, -0.0004849700000000 ] - [ 0.0015387800000000, 0.0012177400000000, 0.0002864500000000 ] - [ 0.0028442500000000, 0.0021579300000000, -0.0001035800000000 ] - [ -0.0007932100000000, -0.0003632000000000, -0.0008655400000000 ] - [ -0.0100220700000000, 0.0079141000000000, 0.0012458100000000 ] - [ 0.0010638700000000, -0.0009593700000000, -0.0006414400000000 ] - [ 0.0121910300000000, -0.0098249000000000, 0.0006410300000000 ] - [ 0.0147348000000000, -0.0009453700000000, 0.0039190900000000 ] - [ 0.0157804100000000, 0.0009234200000000, 0.0043706000000000 ] - [ 0.0155981600000000, 0.0002237700000000, -0.0080259600000000 ] - [ 0.0009582200000000, -0.0033525000000000, 0.0005989000000000 ] - [ -0.0009395900000000, 0.0034812800000000, 0.0005489600000000 ] - [ -0.0000293200000000, -0.0000060000000000, -0.0006982300000000 ] - [ 0.0002576200000000, 0.0007343500000000, 0.0025577500000000 ] - [ -0.0003382600000000, -0.0056813700000000, -0.0026459900000000 ] - [ 0.0003521600000000, 0.0058856900000000, -0.0026778000000000 ] - [ -0.0001980900000000, -0.0000243600000000, 0.0000487600000000 ] - [ -0.0000110200000000, -0.0000002100000000, -0.0001466600000000 ] - [ 0.0001772200000000, 0.0000259500000000, 0.0000387700000000 ] - [ 0.0000070600000000, 0.0000192400000000, 0.0001162400000000 ] - [ 0.0003136800000000, 0.0000795100000000, -0.0000759400000000 ] - [ -0.0003027200000000, -0.0000797300000000, -0.0000994400000000 ] - [ -0.0003566000000000, 0.0041486200000000, -0.2354100600000000 ] - [ -0.0069674200000000, -0.0013546600000000, 0.0760320500000000 ] - [ 0.0128131400000000, 0.0012973300000000, 0.0754622100000000 ] - [ 0.0122872500000000, -0.0040537900000000, -0.0015874600000000 ] - [ 0.0227577100000000, 0.0041550800000000, -0.0017240900000000 ] - [ 0.0174345000000000, 0.0000153200000000, 0.0035969600000000 ] - [ 0.0195337600000000, -0.0017477400000000, -0.0089739300000000 ] - [ 0.0086872700000000, 0.0067784100000000, 0.0037033200000000 ] - [ 0.0256842500000000, -0.0064861600000000, 0.0030735500000000 ] - [ -0.0123872900000000, -0.0037285900000000, -0.0013060500000000 ] - [ -0.0172812200000000, -0.0000645000000000, 0.0028843800000000 ] - [ -0.0225082600000000, 0.0037209200000000, -0.0019398100000000 ] - [ -0.0185886700000000, -0.0015082300000000, -0.0088435800000000 ] - [ -0.0274550100000000, -0.0099722700000000, 0.0039083700000000 ] - [ -0.0074863900000000, 0.0100959200000000, 0.0041915300000000 ] - [ -0.0490487500000000, 0.0185984100000000, -0.0066546300000000 ] - [ 0.0427783500000000, -0.0189279800000000, -0.0064699400000000 ] - [ -0.0029723900000000, -0.0000451500000000, 0.0156354800000000 ] - [ -0.0029691700000000, -0.0002515100000000, -0.0015440300000000 ] - [ -0.0047251200000000, 0.0003949500000000, 0.0004237000000000 ] - [ -0.0012869900000000, 0.0001932800000000, 0.0006038700000000 ] - [ 0.0040635800000000, -0.0003458200000000, -0.0008264200000000 ] - [ 0.0030311600000000, -0.0002531000000000, 0.0011293500000000 ] - [ 0.0020208300000000, -0.0000491100000000, -0.0007947300000000 ] - [ -0.0029287500000000, 0.0002480700000000, -0.0024343800000000 ] - [ -0.0060433800000000, -0.0004790500000000, 0.0008370900000000 ] - [ -0.0000156300000000, -0.0000872200000000, 0.0010163700000000 ] - [ 0.0045173400000000, 0.0002958400000000, -0.0010261800000000 ] - [ 0.0030246900000000, 0.0002538000000000, 0.0014546600000000 ] - [ 0.0015873200000000, 0.0001016900000000, -0.0009244600000000 ] - [ 0.0028209500000000, -0.0006777300000000, -0.0042994800000000 ] - [ 0.0031373700000000, 0.0042388200000000, 0.0023791000000000 ] - [ 0.0029527700000000, -0.0047488100000000, 0.0023945700000000 ] - [ -0.0034352100000000, 0.0037873200000000, -0.0017252100000000 ] - [ -0.0025687000000000, -0.0034249600000000, -0.0017213100000000 ] - [ -0.0030016000000000, 0.0001391300000000, 0.0040047700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025707400000000, 0.0015040800000000, -0.0002053500000000 ] - [ 0.0004277700000000, 0.0003973800000000, -0.0005034100000000 ] - [ -0.0011114800000000, 0.0009844400000000, 0.0000688500000000 ] - [ -0.0154729600000000, -0.0000233200000000, -0.0034900900000000 ] - [ -0.0150017100000000, 0.0002160100000000, 0.0018858100000000 ] - [ -0.0157036600000000, -0.0001928200000000, 0.0021258900000000 ] - [ -0.0165378100000000, 0.0009108100000000, -0.0025155300000000 ] - [ -0.0153640100000000, -0.0000465900000000, 0.0059376300000000 ] - [ -0.0141510100000000, -0.0008923400000000, -0.0036752300000000 ] - [ 0.0153443300000000, -0.0000010600000000, -0.0036738400000000 ] - [ 0.0157542600000000, -0.0002095800000000, 0.0016586900000000 ] - [ 0.0150541500000000, 0.0002184800000000, 0.0015134400000000 ] - [ -0.0001593600000000, 0.0000936200000000, -0.0006998400000000 ] - [ -0.0023895500000000, -0.0014203300000000, 0.0005854500000000 ] - [ 0.0011190300000000, 0.0004628700000000, 0.0002644200000000 ] - [ 0.0015754000000000, 0.0009718300000000, 0.0000626200000000 ] - [ 0.0005747600000000, 0.0004092500000000, 0.0004320600000000 ] - [ -0.0005603400000000, -0.0003482400000000, -0.0001884800000000 ] - [ 0.0008964900000000, -0.0010090600000000, -0.0010696300000000 ] - [ 0.0006948600000000, -0.0009795300000000, 0.0002925800000000 ] - [ 0.0003951800000000, 0.0002508900000000, 0.0006030300000000 ] - [ -0.0009060900000000, 0.0007586100000000, -0.0004793300000000 ] - [ -0.0002275000000000, 0.0000441200000000, -0.0006221400000000 ] - [ -0.0005064100000000, 0.0002555100000000, 0.0006922700000000 ] - [ 0.0011560600000000, 0.0020518300000000, -0.0141236000000000 ] - [ -0.0099256600000000, -0.0146705700000000, 0.0061709700000000 ] - [ 0.0109428100000000, 0.0151906300000000, 0.0054132000000000 ] - [ -0.0071797000000000, -0.0059328500000000, -0.0012307800000000 ] - [ 0.0059794400000000, 0.0051284600000000, -0.0006294300000000 ] - [ -0.0005059800000000, -0.0002319200000000, 0.0015416000000000 ] - [ -0.0001136100000000, -0.0003459600000000, -0.0004882000000000 ] - [ -0.0020901300000000, 0.0022140400000000, 0.0007218800000000 ] - [ 0.0007824800000000, -0.0011850900000000, -0.0000505700000000 ] - [ 0.0016088500000000, -0.0017337900000000, 0.0002997100000000 ] - [ 0.0005803300000000, -0.0004170000000000, 0.0004157500000000 ] - [ -0.0006056100000000, 0.0011266300000000, -0.0004340100000000 ] - [ -0.0033427600000000, -0.0003898500000000, -0.0023642400000000 ] - [ -0.0041214900000000, -0.0007412100000000, -0.0023362500000000 ] - [ -0.0037790400000000, -0.0005344500000000, 0.0050713500000000 ] - [ 0.0037359300000000, 0.0005168100000000, -0.0035797900000000 ] - [ 0.0046465200000000, 0.0008853000000000, 0.0019532800000000 ] - [ 0.0029303300000000, 0.0001247500000000, 0.0019012300000000 ] - [ 0.0038498100000000, -0.0006304200000000, -0.0012231800000000 ] - [ 0.0037310200000000, -0.0005205300000000, 0.0021186100000000 ] - [ 0.0036824700000000, -0.0004411600000000, -0.0011033800000000 ] - [ -0.0042293900000000, 0.0029906700000000, -0.0222230100000000 ] - [ -0.0111960400000000, 0.0081176900000000, 0.0032388400000000 ] - [ 0.0090632600000000, -0.0061946700000000, 0.0036527400000000 ] - [ 0.0039226300000000, 0.0005922700000000, -0.0009587200000000 ] - [ 0.0037334500000000, 0.0005177300000000, 0.0015287200000000 ] - [ 0.0036209500000000, 0.0004698200000000, -0.0007956200000000 ] - [ -0.0038069700000000, -0.0005533800000000, -0.0013764800000000 ] - [ -0.0041445700000000, -0.0006521800000000, 0.0005422300000000 ] - [ -0.0034073100000000, -0.0004118600000000, 0.0006199700000000 ] - [ 0.0047041300000000, 0.0035031300000000, -0.0541472900000000 ] - [ -0.0101269600000000, -0.0028599100000000, -0.0436999500000000 ] - [ -0.0039405200000000, 0.0005614100000000, 0.0308646700000000 ] - [ 0.0046665600000000, -0.0006938100000000, -0.0266614400000000 ] - [ 0.0117841400000000, -0.0030318300000000, 0.0122608500000000 ] - [ -0.0041194800000000, 0.0019556600000000, 0.0121605000000000 ] - [ 0.0016778900000000, 0.0001020300000000, 0.0000844900000000 ] - [ 0.0010300900000000, 0.0009178100000000, 0.0005426600000000 ] - [ 0.0004954600000000, 0.0018379400000000, 0.0000320900000000 ] - [ -0.0013870200000000, -0.0013524900000000, -0.0005342900000000 ] - [ -0.0012510900000000, 0.0003486900000000, 0.0006570200000000 ] - [ -0.0006703400000000, -0.0021053800000000, 0.0005283600000000 ] - [ -0.0037795600000000, 0.0005489200000000, -0.0016576900000000 ] - [ -0.0042328800000000, 0.0006847200000000, 0.0006859800000000 ] - [ -0.0033144500000000, 0.0003865600000000, 0.0007529500000000 ] - [ 0.0006096500000000, -0.0007266000000000, -0.0011545100000000 ] - [ -0.0012917900000000, -0.0002398700000000, -0.0000821200000000 ] - [ 0.0035296400000000, -0.0017236200000000, 0.0003668300000000 ] - [ -0.0020727200000000, -0.0015814700000000, -0.0001427000000000 ] - [ -0.0000767600000000, -0.0003150200000000, -0.0005527700000000 ] - [ -0.0011076600000000, -0.0009849800000000, 0.0000543000000000 ] - [ 0.0005572400000000, 0.0006502000000000, -0.0007206000000000 ] - [ -0.0007161100000000, -0.0002600700000000, -0.0003084300000000 ] - [ 0.0029220300000000, 0.0022599500000000, 0.0004322700000000 ] - [ 0.0120671800000000, -0.0097416100000000, -0.0008262400000000 ] - [ 0.0010404400000000, -0.0009200400000000, 0.0010728900000000 ] - [ -0.0101394900000000, 0.0079921200000000, -0.0001876900000000 ] - [ 0.0160223400000000, 0.0009116000000000, -0.0037267200000000 ] - [ 0.0149643900000000, -0.0009752100000000, -0.0038317300000000 ] - [ 0.0151907400000000, -0.0002159400000000, 0.0083962800000000 ] - [ -0.0009591500000000, 0.0034073300000000, -0.0005540100000000 ] - [ 0.0009424000000000, -0.0034296500000000, -0.0005111800000000 ] - [ 0.0000351000000000, 0.0000206500000000, 0.0007393200000000 ] - [ -0.0003396200000000, -0.0012046500000000, -0.0025330300000000 ] - [ 0.0003381300000000, 0.0056460100000000, 0.0026714700000000 ] - [ -0.0003539000000000, -0.0059198700000000, 0.0027314600000000 ] - [ 0.0001802400000000, 0.0000274300000000, -0.0000893100000000 ] - [ -0.0000023800000000, -0.0000011000000000, 0.0001058400000000 ] - [ -0.0001949400000000, -0.0000295000000000, -0.0000800500000000 ] - [ -0.0000125400000000, -0.0000243800000000, -0.0001577300000000 ] - [ -0.0003104200000000, -0.0000789100000000, 0.0000366100000000 ] - [ 0.0003064900000000, 0.0000786000000000, 0.0000581000000000 ] - [ 0.0017428900000000, -0.0033012300000000, 0.2359380600000000 ] - [ 0.0129326300000000, 0.0018029800000000, -0.0751077500000000 ] - [ -0.0068363000000000, -0.0008412100000000, -0.0756773100000000 ] - [ 0.0226880000000000, 0.0041017200000000, 0.0017913200000000 ] - [ 0.0122196900000000, -0.0041054400000000, 0.0019438500000000 ] - [ 0.0175057300000000, 0.0000076500000000, -0.0033850800000000 ] - [ 0.0158953000000000, 0.0012515900000000, 0.0087694500000000 ] - [ 0.0261505700000000, -0.0067674200000000, -0.0040441500000000 ] - [ 0.0091456100000000, 0.0065026000000000, -0.0031259000000000 ] - [ -0.0223969700000000, 0.0036798500000000, 0.0011013300000000 ] - [ -0.0175445400000000, 0.0000445100000000, -0.0030900500000000 ] - [ -0.0122796300000000, -0.0037666100000000, 0.0017281200000000 ] - [ -0.0159138200000000, 0.0020517100000000, 0.0090228500000000 ] - [ -0.0075099800000000, 0.0099306800000000, -0.0038475700000000 ] - [ -0.0274768800000000, -0.0101321100000000, -0.0038911000000000 ] - [ 0.0435000000000000, -0.0192303700000000, 0.0067993800000000 ] - [ -0.0483156900000000, 0.0182927300000000, 0.0069843100000000 ] - [ -0.0029789900000000, -0.0003972300000000, -0.0152982900000000 ] - [ -0.0029473300000000, 0.0006715000000000, 0.0012119600000000 ] - [ -0.0012341500000000, 0.0000218700000000, -0.0007699000000000 ] - [ -0.0046741700000000, 0.0002249500000000, -0.0009308600000000 ] - [ 0.0019945500000000, -0.0000830500000000, 0.0004843500000000 ] - [ 0.0030165700000000, -0.0001722700000000, -0.0014662300000000 ] - [ 0.0040363500000000, -0.0003800300000000, 0.0004644300000000 ] - [ -0.0029227500000000, -0.0006450800000000, 0.0020968700000000 ] - [ 0.0000660200000000, 0.0000584000000000, -0.0011967000000000 ] - [ -0.0059634900000000, -0.0003335800000000, -0.0013280200000000 ] - [ 0.0015540900000000, 0.0001297200000000, 0.0006767900000000 ] - [ 0.0030215300000000, 0.0001722700000000, -0.0017904800000000 ] - [ 0.0044831600000000, 0.0003238500000000, 0.0006024900000000 ] - [ 0.0029456100000000, 0.0003346100000000, 0.0046322600000000 ] - [ 0.0027859100000000, -0.0046264300000000, -0.0020567100000000 ] - [ 0.0029711500000000, 0.0043589900000000, -0.0020410400000000 ] - [ -0.0025764300000000, -0.0033933200000000, 0.0020577000000000 ] - [ -0.0034403500000000, 0.0038205300000000, 0.0020617500000000 ] - [ -0.0030000500000000, 0.0002729800000000, -0.0036682700000000 ]- atom: 100 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0065996300000000, -0.0054239700000000, -0.0026145500000000 ] - [ 0.0024515200000000, -0.0006185100000000, -0.0022545200000000 ] - [ 0.0035147900000000, -0.0014677700000000, 0.0005198600000000 ] - [ -0.0061667800000000, 0.0000000000000000, 0.0140437500000000 ] - [ -0.0130256500000000, 0.0000000000000000, -0.0001100700000000 ] - [ -0.0122824600000000, 0.0000000000000000, -0.0084383300000000 ] - [ -0.0170726100000000, 0.0000000000000000, -0.0000609200000000 ] - [ -0.0170828600000000, 0.0000000000000000, 0.0001240300000000 ] - [ -0.0178297500000000, 0.0000000000000000, -0.0001260000000000 ] - [ 0.0195897000000000, 0.0000000000000000, -0.0007526600000000 ] - [ 0.0175492000000000, 0.0000000000000000, 0.0001588600000000 ] - [ 0.0198556000000000, 0.0000000000000000, 0.0017760700000000 ] - [ -0.0053419200000000, -0.0043596100000000, -0.0003008800000000 ] - [ -0.0031856400000000, -0.0028520100000000, 0.0002412800000000 ] - [ -0.0053035900000000, -0.0044266600000000, 0.0011158700000000 ] - [ 0.0046326700000000, 0.0053868100000000, -0.0003381000000000 ] - [ 0.0044628100000000, 0.0050569900000000, 0.0010690800000000 ] - [ 0.0164690900000000, 0.0285941000000000, 0.0016895000000000 ] - [ -0.0044796600000000, 0.0047169600000000, 0.0008641600000000 ] - [ -0.0019988000000000, 0.0021877800000000, 0.0000728100000000 ] - [ -0.0044340600000000, 0.0045621500000000, -0.0004489900000000 ] - [ 0.0299499400000000, -0.0054308800000000, 0.0029709600000000 ] - [ 0.0049703300000000, -0.0056697800000000, 0.0005926600000000 ] - [ 0.0044285200000000, -0.0050211100000000, -0.0006461200000000 ] - [ -0.0044796600000000, -0.0047169600000000, 0.0008641600000000 ] - [ -0.0019988000000000, -0.0021877800000000, 0.0000728100000000 ] - [ -0.0044340600000000, -0.0045621500000000, -0.0004489900000000 ] - [ 0.0299499400000000, 0.0054308800000000, 0.0029709600000000 ] - [ 0.0049703300000000, 0.0056697800000000, 0.0005926600000000 ] - [ 0.0044285200000000, 0.0050211100000000, -0.0006461200000000 ] - [ -0.0053419200000000, 0.0043596100000000, -0.0003008800000000 ] - [ -0.0031856400000000, 0.0028520100000000, 0.0002412800000000 ] - [ -0.0053035900000000, 0.0044266600000000, 0.0011158700000000 ] - [ 0.0046326700000000, -0.0053868100000000, -0.0003381000000000 ] - [ 0.0044628100000000, -0.0050569900000000, 0.0010690800000000 ] - [ 0.0164690900000000, -0.0285941000000000, 0.0016895000000000 ] - [ -0.0108537300000000, -0.0010698600000000, 0.0001075200000000 ] - [ -0.0043515900000000, -0.0001792100000000, 0.0031822500000000 ] - [ -0.0043843800000000, -0.0002655200000000, -0.0029314400000000 ] - [ -0.0008160500000000, 0.0016094300000000, 0.0165563900000000 ] - [ 0.0029791000000000, -0.0002286500000000, 0.0000344200000000 ] - [ -0.0012348600000000, 0.0014496900000000, -0.0164926700000000 ] - [ 0.0024591400000000, -0.0001821300000000, -0.0024993400000000 ] - [ 0.0026334700000000, -0.0002718000000000, 0.0023004300000000 ] - [ -0.0061101400000000, 0.0031878100000000, 0.0001372300000000 ] - [ -0.0079264000000000, 0.0042669500000000, 0.0000545800000000 ] - [ -0.0045614900000000, 0.0028960300000000, 0.0000786800000000 ] - [ -0.0078343800000000, 0.0042834000000000, -0.0002277500000000 ] - [ 0.0024591400000000, 0.0001821300000000, -0.0024993400000000 ] - [ 0.0026334700000000, 0.0002718000000000, 0.0023004300000000 ] - [ -0.0061101400000000, -0.0031878100000000, 0.0001372300000000 ] - [ -0.0085188800000000, -0.0026342000000000, -0.0148418600000000 ] - [ -0.0054224400000000, -0.0012992100000000, -0.0004785600000000 ] - [ -0.0081936600000000, -0.0025467900000000, 0.0148404500000000 ] - [ -0.0108537300000000, 0.0010698600000000, 0.0001075200000000 ] - [ -0.0043515900000000, 0.0001792100000000, 0.0031822500000000 ] - [ -0.0043843800000000, 0.0002655200000000, -0.0029314400000000 ] - [ -0.0008160500000000, -0.0016094300000000, 0.0165563900000000 ] - [ 0.0029791000000000, 0.0002286500000000, 0.0000344200000000 ] - [ -0.0012348600000000, -0.0014496900000000, -0.0164926700000000 ] - [ 0.0069609000000000, 0.0041642200000000, 0.0002943500000000 ] - [ 0.0069406400000000, 0.0042064800000000, -0.0002825500000000 ] - [ 0.0266495700000000, 0.0193500800000000, -0.0011436300000000 ] - [ -0.0079264000000000, -0.0042669500000000, 0.0000545800000000 ] - [ -0.0045614900000000, -0.0028960300000000, 0.0000786800000000 ] - [ -0.0078343800000000, -0.0042834000000000, -0.0002277500000000 ] - [ -0.0085188800000000, 0.0026342000000000, -0.0148418600000000 ] - [ -0.0054224400000000, 0.0012992100000000, -0.0004785600000000 ] - [ -0.0081936600000000, 0.0025467900000000, 0.0148404500000000 ] - [ -0.0055309600000000, 0.0029410700000000, -0.0007331400000000 ] - [ -0.0026308200000000, 0.0011733300000000, -0.0003545900000000 ] - [ -0.0054320300000000, 0.0028657500000000, -0.0002595500000000 ] - [ 0.0065996300000000, 0.0054239700000000, -0.0026145500000000 ] - [ 0.0024515200000000, 0.0006185100000000, -0.0022545200000000 ] - [ 0.0035147900000000, 0.0014677700000000, 0.0005198600000000 ] - [ -0.0055309600000000, -0.0029410700000000, -0.0007331400000000 ] - [ -0.0026308200000000, -0.0011733300000000, -0.0003545900000000 ] - [ -0.0054320300000000, -0.0028657500000000, -0.0002595500000000 ] - [ 0.0069609000000000, -0.0041642200000000, 0.0002943500000000 ] - [ 0.0069406400000000, -0.0042064800000000, -0.0002825500000000 ] - [ 0.0266495700000000, -0.0193500800000000, -0.0011436300000000 ] - [ 0.0131765400000000, 0.0000000000000000, 0.0003614700000000 ] - [ 0.0137475200000000, 0.0000000000000000, 0.0007847600000000 ] - [ 0.0137944200000000, 0.0000000000000000, 0.0000433500000000 ] - [ -0.0015753300000000, 0.0000000000000000, 0.0000430700000000 ] - [ 0.0005280900000000, 0.0000000000000000, 0.0009373600000000 ] - [ 0.0005001600000000, 0.0000000000000000, -0.0009384200000000 ] - [ -0.0021723100000000, 0.0000000000000000, 0.0003196700000000 ] - [ -0.0004357200000000, 0.0000000000000000, 0.0000196900000000 ] - [ -0.0019515100000000, 0.0000000000000000, -0.0003654200000000 ] - [ 0.0002381000000000, 0.0000000000000000, -0.0007837500000000 ] - [ 0.0003239500000000, 0.0000000000000000, 0.0006304700000000 ] - [ -0.0069489400000000, 0.0000000000000000, 0.0000961300000000 ] - [ -0.0009685900000000, 0.0000000000000000, -0.0003621700000000 ] - [ -0.0004684400000000, 0.0000000000000000, -0.0000330800000000 ] - [ -0.0010659100000000, 0.0000000000000000, 0.0003699100000000 ] - [ 0.0147422100000000, 0.0029532200000000, -0.0050342100000000 ] - [ 0.0073938900000000, 0.0004950700000000, 0.0001304900000000 ] - [ 0.0147690700000000, 0.0023469300000000, 0.0054410000000000 ] - [ -0.1923041200000000, 0.0000000000000000, -0.0083250400000000 ] - [ 0.0003815700000000, 0.0000000000000000, 0.0083805500000000 ] - [ 0.0003940100000000, 0.0000000000000000, -0.0029512600000000 ] - [ 0.0319371000000000, 0.0000000000000000, 0.0002751400000000 ] - [ 0.0254608500000000, 0.0000000000000000, -0.0003720400000000 ] - [ 0.0315097000000000, 0.0000000000000000, -0.0009327800000000 ] - [ -0.0306936800000000, 0.0000000000000000, 0.0001290400000000 ] - [ -0.0301481400000000, 0.0000000000000000, -0.0016286900000000 ] - [ -0.0723237100000000, 0.0000000000000000, -0.0013609700000000 ] - [ -0.0039352300000000, 0.0000000000000000, -0.0007292800000000 ] - [ -0.0096028100000000, 0.0000000000000000, -0.0002315600000000 ] - [ -0.0039340600000000, 0.0000000000000000, 0.0002421700000000 ] - [ 0.0179124800000000, 0.0632776100000000, 0.0015173800000000 ] - [ -0.0105642100000000, -0.0016159200000000, -0.0098295300000000 ] - [ -0.0102172800000000, -0.0011901500000000, 0.0101346900000000 ] - [ 0.0077166100000000, 0.0019376200000000, 0.0048541800000000 ] - [ 0.0020711900000000, 0.0004465700000000, -0.0000393000000000 ] - [ 0.0074314100000000, 0.0017030400000000, -0.0052968900000000 ] - [ -0.0001197000000000, 0.0028376000000000, 0.0085943600000000 ] - [ -0.0010574900000000, 0.0021297200000000, -0.0084757100000000 ] - [ 0.0588662200000000, 0.0534504200000000, -0.0019872200000000 ] - [ 0.0077166100000000, -0.0019376200000000, 0.0048541800000000 ] - [ 0.0020711900000000, -0.0004465700000000, -0.0000393000000000 ] - [ 0.0074314100000000, -0.0017030400000000, -0.0052968900000000 ] - [ -0.0001197000000000, -0.0028376000000000, 0.0085943600000000 ] - [ -0.0010574900000000, -0.0021297200000000, -0.0084757100000000 ] - [ 0.0588662200000000, -0.0534504200000000, -0.0019872200000000 ] - [ 0.0147422100000000, -0.0029532200000000, -0.0050342100000000 ] - [ 0.0073938900000000, -0.0004950700000000, 0.0001304900000000 ] - [ 0.0147690700000000, -0.0023469300000000, 0.0054410000000000 ] - [ 0.0179124800000000, -0.0632776100000000, 0.0015173800000000 ] - [ -0.0105642100000000, 0.0016159200000000, -0.0098295300000000 ] - [ -0.0102172800000000, 0.0011901500000000, 0.0101346900000000 ]- atom: 100 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0073611200000000, 0.0056018200000000, 0.0019853700000000 ] - [ -0.0044875600000000, 0.0024533400000000, 0.0018623700000000 ] - [ -0.0056115500000000, 0.0033461000000000, -0.0009535100000000 ] - [ -0.0250215000000000, 0.0000000000000000, -0.0149175200000000 ] - [ -0.0178155400000000, 0.0000000000000000, 0.0005643500000000 ] - [ -0.0188544300000000, 0.0000000000000000, 0.0097522700000000 ] - [ -0.0137111700000000, 0.0000000000000000, -0.0002951300000000 ] - [ -0.0137027800000000, 0.0000000000000000, -0.0004634400000000 ] - [ -0.0129563300000000, 0.0000000000000000, -0.0002235500000000 ] - [ 0.0112110600000000, 0.0000000000000000, 0.0003974100000000 ] - [ 0.0132400500000000, 0.0000000000000000, -0.0005012600000000 ] - [ 0.0109458800000000, 0.0000000000000000, -0.0021509300000000 ] - [ 0.0042463400000000, 0.0036422000000000, 0.0005017900000000 ] - [ 0.0020965200000000, 0.0021395600000000, -0.0000346700000000 ] - [ 0.0042057600000000, 0.0037068900000000, -0.0009035300000000 ] - [ -0.0035310600000000, -0.0046680300000000, 0.0005387000000000 ] - [ -0.0033581800000000, -0.0043251300000000, -0.0008572200000000 ] - [ -0.0152985400000000, -0.0276720300000000, -0.0014716900000000 ] - [ 0.0055492400000000, -0.0054173300000000, -0.0010694300000000 ] - [ 0.0030684500000000, -0.0028831400000000, -0.0002775500000000 ] - [ 0.0055022000000000, -0.0052593600000000, 0.0002437400000000 ] - [ -0.0330180500000000, 0.0087873700000000, -0.0034353500000000 ] - [ -0.0061199500000000, 0.0064819900000000, -0.0007348700000000 ] - [ -0.0055183800000000, 0.0057392700000000, 0.0004443400000000 ] - [ 0.0055492400000000, 0.0054173300000000, -0.0010694300000000 ] - [ 0.0030684500000000, 0.0028831400000000, -0.0002775500000000 ] - [ 0.0055022000000000, 0.0052593600000000, 0.0002437400000000 ] - [ -0.0330180500000000, -0.0087873700000000, -0.0034353500000000 ] - [ -0.0061199500000000, -0.0064819900000000, -0.0007348700000000 ] - [ -0.0055183800000000, -0.0057392700000000, 0.0004443400000000 ] - [ 0.0042463400000000, -0.0036422000000000, 0.0005017900000000 ] - [ 0.0020965200000000, -0.0021395600000000, -0.0000346700000000 ] - [ 0.0042057600000000, -0.0037068900000000, -0.0009035300000000 ] - [ -0.0035310600000000, 0.0046680300000000, 0.0005387000000000 ] - [ -0.0033581800000000, 0.0043251300000000, -0.0008572200000000 ] - [ -0.0152985400000000, 0.0276720300000000, -0.0014716900000000 ] - [ 0.0032919800000000, -0.0000244600000000, 0.0000421700000000 ] - [ -0.0031984900000000, -0.0009032900000000, -0.0030385500000000 ] - [ -0.0031586400000000, -0.0008134300000000, 0.0030890800000000 ] - [ 0.0083415000000000, -0.0005678000000000, -0.0164007000000000 ] - [ 0.0045321300000000, 0.0012971300000000, 0.0001387200000000 ] - [ 0.0087672000000000, -0.0004079200000000, 0.0166066500000000 ] - [ 0.0050826300000000, -0.0008943200000000, 0.0023313300000000 ] - [ 0.0048980000000000, -0.0008026100000000, -0.0024299900000000 ] - [ 0.0136111500000000, -0.0042541800000000, -0.0002897900000000 ] - [ 0.0057658700000000, -0.0023439100000000, 0.0003754600000000 ] - [ 0.0024030500000000, -0.0009810500000000, 0.0003508200000000 ] - [ 0.0056738400000000, -0.0023635300000000, 0.0006582100000000 ] - [ 0.0050826300000000, 0.0008943200000000, 0.0023313300000000 ] - [ 0.0048980000000000, 0.0008026100000000, -0.0024299900000000 ] - [ 0.0136111500000000, 0.0042541800000000, -0.0002897900000000 ] - [ 0.0009630300000000, 0.0015488400000000, 0.0145694000000000 ] - [ -0.0021068600000000, 0.0002256900000000, 0.0003448900000000 ] - [ 0.0006331200000000, 0.0014588500000000, -0.0148823900000000 ] - [ 0.0032919800000000, 0.0000244600000000, 0.0000421700000000 ] - [ -0.0031984900000000, 0.0009032900000000, -0.0030385500000000 ] - [ -0.0031586400000000, 0.0008134300000000, 0.0030890800000000 ] - [ 0.0083415000000000, 0.0005678000000000, -0.0164007000000000 ] - [ 0.0045321300000000, -0.0012971300000000, 0.0001387200000000 ] - [ 0.0087672000000000, 0.0004079200000000, 0.0166066500000000 ] - [ -0.0047881000000000, -0.0022365200000000, 0.0001350000000000 ] - [ -0.0047755900000000, -0.0022878700000000, 0.0007136400000000 ] - [ -0.0243014400000000, -0.0173463000000000, 0.0015596200000000 ] - [ 0.0057658700000000, 0.0023439100000000, 0.0003754600000000 ] - [ 0.0024030500000000, 0.0009810500000000, 0.0003508200000000 ] - [ 0.0056738400000000, 0.0023635300000000, 0.0006582100000000 ] - [ 0.0009630300000000, -0.0015488400000000, 0.0145694000000000 ] - [ -0.0021068600000000, -0.0002256900000000, 0.0003448900000000 ] - [ 0.0006331200000000, -0.0014588500000000, -0.0148823900000000 ] - [ 0.0076522700000000, -0.0048342800000000, 0.0002998000000000 ] - [ 0.0047636100000000, -0.0030748000000000, -0.0000761100000000 ] - [ 0.0075532700000000, -0.0047606000000000, -0.0001703900000000 ] - [ -0.0073611200000000, -0.0056018200000000, 0.0019853700000000 ] - [ -0.0044875600000000, -0.0024533400000000, 0.0018623700000000 ] - [ -0.0056115500000000, -0.0033461000000000, -0.0009535100000000 ] - [ 0.0076522700000000, 0.0048342800000000, 0.0002998000000000 ] - [ 0.0047636100000000, 0.0030748000000000, -0.0000761100000000 ] - [ 0.0075532700000000, 0.0047606000000000, -0.0001703900000000 ] - [ -0.0047881000000000, 0.0022365200000000, 0.0001350000000000 ] - [ -0.0047755900000000, 0.0022878700000000, 0.0007136400000000 ] - [ -0.0243014400000000, 0.0173463000000000, 0.0015596200000000 ] - [ 0.0175951600000000, 0.0000000000000000, -0.0000145100000000 ] - [ 0.0170266300000000, 0.0000000000000000, -0.0004399400000000 ] - [ 0.0169788600000000, 0.0000000000000000, 0.0003125900000000 ] - [ 0.0015734100000000, 0.0000000000000000, -0.0000017900000000 ] - [ -0.0005250400000000, 0.0000000000000000, -0.0008969600000000 ] - [ -0.0004943800000000, 0.0000000000000000, 0.0009819600000000 ] - [ 0.0022025300000000, 0.0000000000000000, -0.0002905300000000 ] - [ 0.0004237400000000, 0.0000000000000000, 0.0000199400000000 ] - [ 0.0019542100000000, 0.0000000000000000, 0.0004080500000000 ] - [ -0.0002403900000000, 0.0000000000000000, 0.0007342800000000 ] - [ -0.0003281600000000, 0.0000000000000000, -0.0006639900000000 ] - [ 0.0069434400000000, 0.0000000000000000, -0.0001403800000000 ] - [ 0.0009709200000000, 0.0000000000000000, 0.0003153300000000 ] - [ 0.0004741200000000, 0.0000000000000000, -0.0000072700000000 ] - [ 0.0010637200000000, 0.0000000000000000, -0.0004039800000000 ] - [ -0.0087133500000000, -0.0025723500000000, 0.0053664900000000 ] - [ -0.0013608000000000, -0.0000747900000000, 0.0002015700000000 ] - [ -0.0087442400000000, -0.0019494400000000, -0.0050974100000000 ] - [ 0.2280099800000000, 0.0000000000000000, 0.0100252600000000 ] - [ 0.0345187100000000, 0.0000000000000000, -0.0088686800000000 ] - [ 0.0345324000000000, 0.0000000000000000, 0.0032806400000000 ] - [ 0.0029856400000000, 0.0000000000000000, -0.0004776600000000 ] - [ 0.0094505700000000, 0.0000000000000000, 0.0001594100000000 ] - [ 0.0034191300000000, 0.0000000000000000, 0.0007134400000000 ] - [ -0.0042593500000000, 0.0000000000000000, -0.0003362600000000 ] - [ -0.0047996300000000, 0.0000000000000000, 0.0014194300000000 ] - [ 0.0370147300000000, 0.0000000000000000, 0.0011651600000000 ] - [ -0.0309083200000000, 0.0000000000000000, 0.0009435100000000 ] - [ -0.0252519800000000, 0.0000000000000000, 0.0004406600000000 ] - [ -0.0309071700000000, 0.0000000000000000, -0.0000371200000000 ] - [ -0.0239831700000000, -0.0637335100000000, -0.0011572600000000 ] - [ 0.0046080100000000, 0.0012593000000000, 0.0101591600000000 ] - [ 0.0042124300000000, 0.0007676600000000, -0.0098099500000000 ] - [ -0.0136743700000000, -0.0015073200000000, -0.0051543700000000 ] - [ -0.0080635000000000, -0.0000217600000000, -0.0003025400000000 ] - [ -0.0133844400000000, -0.0012733000000000, 0.0049314400000000 ] - [ 0.0060185100000000, -0.0032924300000000, -0.0088668800000000 ] - [ 0.0070117100000000, -0.0025490500000000, 0.0080613800000000 ] - [ -0.0522738000000000, -0.0533784600000000, 0.0016516200000000 ] - [ -0.0136743700000000, 0.0015073200000000, -0.0051543700000000 ] - [ -0.0080635000000000, 0.0000217600000000, -0.0003025400000000 ] - [ -0.0133844400000000, 0.0012733000000000, 0.0049314400000000 ] - [ 0.0060185100000000, 0.0032924300000000, -0.0088668800000000 ] - [ 0.0070117100000000, 0.0025490500000000, 0.0080613800000000 ] - [ -0.0522738000000000, 0.0533784600000000, 0.0016516200000000 ] - [ -0.0087133500000000, 0.0025723500000000, 0.0053664900000000 ] - [ -0.0013608000000000, 0.0000747900000000, 0.0002015700000000 ] - [ -0.0087442400000000, 0.0019494400000000, -0.0050974100000000 ] - [ -0.0239831700000000, 0.0637335100000000, -0.0011572600000000 ] - [ 0.0046080100000000, -0.0012593000000000, 0.0101591600000000 ] - [ 0.0042124300000000, -0.0007676600000000, -0.0098099500000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0143312500000000, 0.0058518000000000, 0.0007811800000000 ] - [ -0.0012252500000000, 0.0022850200000000, 0.0013420900000000 ] - [ -0.0020137200000000, 0.0026820100000000, -0.0009467000000000 ] - [ -0.0155370900000000, 0.0073833500000000, -0.0004685900000000 ] - [ -0.0154182600000000, 0.0007798800000000, 0.0002316800000000 ] - [ -0.0155061600000000, 0.0007077100000000, 0.0007047100000000 ] - [ -0.0153896200000000, 0.0006007500000000, -0.0001766300000000 ] - [ -0.0153902100000000, 0.0006283000000000, -0.0001700500000000 ] - [ -0.0153900800000000, 0.0008020600000000, -0.0001757200000000 ] - [ 0.0153905800000000, -0.0039213800000000, -0.0001789100000000 ] - [ 0.0153901300000000, -0.0014095600000000, -0.0001713500000000 ] - [ 0.0153905500000000, -0.0039816600000000, -0.0001891200000000 ] - [ 0.0010244000000000, 0.0018198200000000, 0.0002081800000000 ] - [ 0.0001000400000000, 0.0006416100000000, 0.0000583400000000 ] - [ 0.0010018400000000, 0.0018061600000000, -0.0002727700000000 ] - [ -0.0010854200000000, -0.0027476300000000, 0.0005381100000000 ] - [ -0.0010237300000000, -0.0025784200000000, -0.0005355100000000 ] - [ -0.0091346600000000, -0.0241661000000000, -0.0013356400000000 ] - [ 0.0026360800000000, -0.0030057500000000, -0.0006079400000000 ] - [ 0.0012787100000000, -0.0014830600000000, -0.0001526200000000 ] - [ 0.0026699100000000, -0.0029947700000000, 0.0000978700000000 ] - [ -0.0303452200000000, 0.0191709000000000, -0.0040774700000000 ] - [ -0.0029397800000000, 0.0045378800000000, -0.0009021800000000 ] - [ -0.0028407600000000, 0.0042172700000000, 0.0005061400000000 ] - [ -0.0015539000000000, -0.0023049500000000, 0.0003984900000000 ] - [ -0.0002004800000000, -0.0007794000000000, -0.0000520200000000 ] - [ -0.0015849100000000, -0.0022909300000000, -0.0003004600000000 ] - [ 0.0261979100000000, 0.0159428400000000, 0.0035737200000000 ] - [ 0.0017727100000000, 0.0037101900000000, 0.0007572200000000 ] - [ 0.0017387300000000, 0.0034838000000000, -0.0007061000000000 ] - [ -0.0021046800000000, 0.0025232400000000, -0.0000051000000000 ] - [ -0.0011798700000000, 0.0013466600000000, 0.0001480100000000 ] - [ -0.0020823300000000, 0.0025097500000000, 0.0004804300000000 ] - [ 0.0021649900000000, -0.0034428900000000, -0.0003364400000000 ] - [ 0.0021085200000000, -0.0032896700000000, 0.0007432200000000 ] - [ 0.0102023100000000, -0.0249288700000000, 0.0015459700000000 ] - [ 0.0036613500000000, 0.0001360700000000, -0.0000319500000000 ] - [ -0.0028930400000000, -0.0000539200000000, -0.0017741800000000 ] - [ -0.0029175300000000, -0.0000651100000000, 0.0019419100000000 ] - [ 0.0102766100000000, -0.0013179600000000, -0.0162051300000000 ] - [ 0.0051799000000000, 0.0005999800000000, 0.0000267700000000 ] - [ 0.0105603700000000, -0.0012132200000000, 0.0168454900000000 ] - [ 0.0045024300000000, -0.0009486100000000, 0.0014779600000000 ] - [ 0.0044155100000000, -0.0009315700000000, -0.0015885200000000 ] - [ 0.0123619700000000, -0.0030816700000000, -0.0002034200000000 ] - [ -0.0035639900000000, 0.0032375300000000, 0.0003005900000000 ] - [ -0.0020105700000000, 0.0018651600000000, 0.0001814800000000 ] - [ -0.0035901700000000, 0.0032511000000000, -0.0000524700000000 ] - [ 0.0030424000000000, 0.0001279100000000, -0.0016339900000000 ] - [ 0.0031180800000000, 0.0001423800000000, 0.0014480500000000 ] - [ -0.0048186200000000, -0.0020098900000000, 0.0000493800000000 ] - [ -0.0082424200000000, -0.0009649200000000, -0.0123626000000000 ] - [ -0.0051381500000000, -0.0004426900000000, -0.0003100100000000 ] - [ -0.0080070000000000, -0.0009598300000000, 0.0121598200000000 ] - [ -0.0111990300000000, 0.0012156500000000, 0.0001748800000000 ] - [ -0.0046496500000000, 0.0010206800000000, 0.0019166100000000 ] - [ -0.0046178100000000, 0.0010084300000000, -0.0017771000000000 ] - [ -0.0027124700000000, -0.0023639500000000, 0.0163009600000000 ] - [ 0.0023406100000000, -0.0004736400000000, 0.0001488700000000 ] - [ -0.0029899300000000, -0.0022529200000000, -0.0166641400000000 ] - [ -0.0009956300000000, -0.0014693300000000, -0.0003059500000000 ] - [ -0.0010497700000000, -0.0014041100000000, 0.0008380700000000 ] - [ -0.0170957300000000, -0.0214485100000000, 0.0014021100000000 ] - [ 0.0014223500000000, 0.0013324400000000, 0.0001296200000000 ] - [ -0.0001335300000000, -0.0000413200000000, 0.0002489900000000 ] - [ 0.0014538800000000, 0.0013476500000000, 0.0004838600000000 ] - [ 0.0007042300000000, 0.0001111200000000, 0.0121565600000000 ] - [ -0.0023881000000000, 0.0006297800000000, 0.0001790300000000 ] - [ 0.0004629200000000, 0.0001205500000000, -0.0122698400000000 ] - [ 0.0032654800000000, -0.0031436400000000, 0.0000945000000000 ] - [ 0.0019054600000000, -0.0017839400000000, -0.0001814300000000 ] - [ 0.0032111500000000, -0.0030941600000000, -0.0003721800000000 ] - [ -0.0152029000000000, 0.0050248400000000, -0.0013517800000000 ] - [ -0.0008227600000000, 0.0004366900000000, -0.0017248900000000 ] - [ -0.0001055600000000, 0.0007877600000000, 0.0005124100000000 ] - [ -0.0011228400000000, -0.0012377400000000, -0.0005266600000000 ] - [ 0.0002387000000000, 0.0001239300000000, -0.0002486500000000 ] - [ -0.0010681200000000, -0.0011871200000000, -0.0000570800000000 ] - [ 0.0031490800000000, -0.0033844300000000, 0.0007325900000000 ] - [ 0.0031923300000000, -0.0033091200000000, -0.0004028600000000 ] - [ 0.0193731500000000, -0.0233977600000000, -0.0009751000000000 ] - [ 0.0153907400000000, -0.0008571400000000, 0.0001725900000000 ] - [ 0.0153902400000000, -0.0006722200000000, 0.0001717100000000 ] - [ 0.0153897700000000, -0.0006304300000000, 0.0001785400000000 ] - [ 0.0000180200000000, -0.0151248200000000, 0.0000194400000000 ] - [ 0.0000033900000000, -0.0030466500000000, 0.0000176600000000 ] - [ 0.0000043900000000, -0.0030893000000000, 0.0000248300000000 ] - [ 0.0000015300000000, 0.0027711600000000, 0.0000142800000000 ] - [ -0.0000076500000000, 0.0009719800000000, 0.0000199000000000 ] - [ 0.0000009100000000, 0.0028082900000000, 0.0000249700000000 ] - [ -0.0000044600000000, 0.0022649900000000, -0.0000221300000000 ] - [ -0.0000059200000000, 0.0021109700000000, -0.0000182600000000 ] - [ -0.0000242700000000, 0.0103665600000000, -0.0000212800000000 ] - [ 0.0000066300000000, -0.0020423100000000, -0.0000218200000000 ] - [ 0.0000060800000000, -0.0008242100000000, -0.0000202900000000 ] - [ 0.0000050300000000, -0.0020171200000000, -0.0000187900000000 ] - [ 0.0103296400000000, -0.0028246200000000, -0.0039028000000000 ] - [ 0.0046144100000000, -0.0006168100000000, 0.0001674000000000 ] - [ 0.0104974000000000, -0.0029864400000000, 0.0042959600000000 ] - [ 0.0193092100000000, -0.2114597200000000, 0.0008111200000000 ] - [ 0.0174735300000000, -0.0102841700000000, -0.0002567500000000 ] - [ 0.0174804800000000, -0.0102847300000000, 0.0001562100000000 ] - [ 0.0174430500000000, -0.0051968100000000, -0.0001015300000000 ] - [ 0.0174430300000000, -0.0023712800000000, -0.0001070900000000 ] - [ 0.0174418100000000, -0.0051619300000000, -0.0001076800000000 ] - [ -0.0174459800000000, 0.0084778400000000, -0.0001000300000000 ] - [ -0.0174445700000000, 0.0076273900000000, -0.0001036000000000 ] - [ -0.0175075700000000, 0.0495400100000000, -0.0000933800000000 ] - [ -0.0174445700000000, 0.0057428000000000, 0.0001096800000000 ] - [ -0.0174418000000000, 0.0024272700000000, 0.0001038900000000 ] - [ -0.0174461400000000, 0.0057421800000000, 0.0001017900000000 ] - [ 0.0351055800000000, 0.0795234300000000, 0.0019560300000000 ] - [ -0.0046098500000000, 0.0014057700000000, -0.0099279400000000 ] - [ -0.0048416700000000, 0.0014635300000000, 0.0100889700000000 ] - [ 0.0023354900000000, 0.0029118200000000, 0.0035438200000000 ] - [ -0.0015409000000000, 0.0009916700000000, -0.0001173800000000 ] - [ 0.0021299000000000, 0.0027380400000000, -0.0039146600000000 ] - [ 0.0035267900000000, -0.0007497500000000, 0.0066152500000000 ] - [ 0.0029353800000000, -0.0007827600000000, -0.0066815600000000 ] - [ 0.0610489200000000, 0.0346737600000000, -0.0016647300000000 ] - [ -0.0083297500000000, 0.0024850700000000, -0.0038660300000000 ] - [ -0.0044650800000000, 0.0005679900000000, -0.0002254100000000 ] - [ -0.0081209500000000, 0.0023089800000000, 0.0035724600000000 ] - [ 0.0023966000000000, -0.0002816100000000, -0.0069289400000000 ] - [ 0.0030482700000000, -0.0003581900000000, 0.0063062600000000 ] - [ -0.0546454200000000, 0.0348689000000000, 0.0013352100000000 ] - [ -0.0043393000000000, -0.0032598300000000, 0.0042509600000000 ] - [ 0.0013977300000000, -0.0010422900000000, 0.0001594800000000 ] - [ -0.0045204400000000, -0.0034147200000000, -0.0039635400000000 ] - [ -0.0414569200000000, 0.0803126000000000, -0.0016050900000000 ] - [ -0.0013371400000000, 0.0017518300000000, 0.0103003100000000 ] - [ -0.0011487700000000, 0.0018805300000000, -0.0098126100000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0108764100000000, 0.0087876000000000, 0.0153321200000000 ] - [ -0.0145409000000000, 0.0104982300000000, -0.0080276700000000 ] - [ 0.0149054700000000, -0.0105163200000000, -0.0065177900000000 ] - [ 0.0029530300000000, 0.0000000000000000, 0.2086893800000000 ] - [ -0.0166876400000000, 0.0000000000000000, -0.0598760700000000 ] - [ -0.0257435300000000, 0.0000000000000000, -0.0116283800000000 ] - [ -0.0154397800000000, 0.0000000000000000, -0.0010258900000000 ] - [ -0.0154007600000000, 0.0000000000000000, -0.0007283000000000 ] - [ -0.0154501500000000, 0.0000000000000000, 0.0012529500000000 ] - [ 0.0153439100000000, 0.0000000000000000, 0.0021635200000000 ] - [ 0.0154353000000000, 0.0000000000000000, -0.0053963800000000 ] - [ 0.0157222000000000, 0.0000000000000000, 0.0026803700000000 ] - [ -0.0007249600000000, -0.0005011200000000, 0.0002548100000000 ] - [ -0.0005892100000000, -0.0003620400000000, -0.0003398000000000 ] - [ -0.0005550700000000, -0.0004603100000000, 0.0003986900000000 ] - [ 0.0010291500000000, 0.0028599600000000, -0.0003919800000000 ] - [ 0.0003307700000000, -0.0018483500000000, -0.0001964700000000 ] - [ 0.0009628400000000, 0.0008325800000000, 0.0009629400000000 ] - [ 0.0010616100000000, -0.0011325200000000, 0.0001328000000000 ] - [ 0.0004229200000000, -0.0003096900000000, -0.0005708200000000 ] - [ -0.0001928100000000, 0.0005244800000000, 0.0001502300000000 ] - [ 0.0078900300000000, -0.0079924000000000, 0.0145821100000000 ] - [ 0.0105837400000000, -0.0156495200000000, -0.0075502100000000 ] - [ -0.0147975200000000, 0.0209593600000000, -0.0059671600000000 ] - [ 0.0010616100000000, 0.0011325200000000, 0.0001328000000000 ] - [ 0.0004229200000000, 0.0003096900000000, -0.0005708200000000 ] - [ -0.0001928100000000, -0.0005244800000000, 0.0001502300000000 ] - [ 0.0078900300000000, 0.0079924000000000, 0.0145821100000000 ] - [ 0.0105837400000000, 0.0156495200000000, -0.0075502100000000 ] - [ -0.0147975200000000, -0.0209593600000000, -0.0059671600000000 ] - [ -0.0007249600000000, 0.0005011200000000, 0.0002548100000000 ] - [ -0.0005892100000000, 0.0003620400000000, -0.0003398000000000 ] - [ -0.0005550700000000, 0.0004603100000000, 0.0003986900000000 ] - [ 0.0010291500000000, -0.0028599600000000, -0.0003919800000000 ] - [ 0.0003307700000000, 0.0018483500000000, -0.0001964700000000 ] - [ 0.0009628400000000, -0.0008325800000000, 0.0009629400000000 ] - [ -0.0040049200000000, -0.0005961600000000, 0.0028978800000000 ] - [ -0.0022400700000000, -0.0004337900000000, -0.0014762600000000 ] - [ -0.0056097400000000, -0.0008225400000000, -0.0011740300000000 ] - [ 0.0048224600000000, 0.0002249800000000, 0.0051002700000000 ] - [ 0.0035085900000000, 0.0004105700000000, -0.0097245500000000 ] - [ 0.0024309800000000, 0.0009749200000000, 0.0047860800000000 ] - [ 0.0017074400000000, 0.0001694800000000, -0.0011800000000000 ] - [ 0.0059145900000000, -0.0012502700000000, -0.0009567700000000 ] - [ 0.0031732600000000, -0.0004393200000000, 0.0021061000000000 ] - [ -0.0001663100000000, 0.0008774900000000, 0.0003271500000000 ] - [ -0.0012765600000000, 0.0010862600000000, -0.0000182700000000 ] - [ -0.0021412500000000, 0.0012510300000000, 0.0003218100000000 ] - [ 0.0017074400000000, -0.0001694800000000, -0.0011800000000000 ] - [ 0.0059145900000000, 0.0012502700000000, -0.0009567700000000 ] - [ 0.0031732600000000, 0.0004393200000000, 0.0021061000000000 ] - [ -0.0051363500000000, -0.0012920100000000, 0.0037459900000000 ] - [ -0.0039476500000000, -0.0006583400000000, -0.0083184100000000 ] - [ -0.0029356400000000, -0.0001862800000000, 0.0044499600000000 ] - [ -0.0040049200000000, 0.0005961600000000, 0.0028978800000000 ] - [ -0.0022400700000000, 0.0004337900000000, -0.0014762600000000 ] - [ -0.0056097400000000, 0.0008225400000000, -0.0011740300000000 ] - [ 0.0048224600000000, -0.0002249800000000, 0.0051002700000000 ] - [ 0.0035085900000000, -0.0004105700000000, -0.0097245500000000 ] - [ 0.0024309800000000, -0.0009749200000000, 0.0047860800000000 ] - [ 0.0002487800000000, -0.0005466300000000, -0.0004477300000000 ] - [ 0.0028562200000000, 0.0029490700000000, -0.0001804700000000 ] - [ 0.0016659600000000, 0.0014884500000000, 0.0013235600000000 ] - [ -0.0001663100000000, -0.0008774900000000, 0.0003271500000000 ] - [ -0.0012765600000000, -0.0010862600000000, -0.0000182700000000 ] - [ -0.0021412500000000, -0.0012510300000000, 0.0003218100000000 ] - [ -0.0051363500000000, 0.0012920100000000, 0.0037459900000000 ] - [ -0.0039476500000000, 0.0006583400000000, -0.0083184100000000 ] - [ -0.0029356400000000, 0.0001862800000000, 0.0044499600000000 ] - [ 0.0005271800000000, -0.0005603000000000, -0.0000962800000000 ] - [ 0.0009386000000000, -0.0008694300000000, -0.0004478600000000 ] - [ 0.0012759600000000, -0.0011339500000000, -0.0001046600000000 ] - [ -0.0108764100000000, -0.0087876000000000, 0.0153321200000000 ] - [ -0.0145409000000000, -0.0104982300000000, -0.0080276700000000 ] - [ 0.0149054700000000, 0.0105163200000000, -0.0065177900000000 ] - [ 0.0005271800000000, 0.0005603000000000, -0.0000962800000000 ] - [ 0.0009386000000000, 0.0008694300000000, -0.0004478600000000 ] - [ 0.0012759600000000, 0.0011339500000000, -0.0001046600000000 ] - [ 0.0002487800000000, 0.0005466300000000, -0.0004477300000000 ] - [ 0.0028562200000000, -0.0029490700000000, -0.0001804700000000 ] - [ 0.0016659600000000, -0.0014884500000000, 0.0013235600000000 ] - [ 0.0153129500000000, 0.0000000000000000, 0.0015433800000000 ] - [ 0.0153996100000000, 0.0000000000000000, -0.0005245600000000 ] - [ 0.0152850500000000, 0.0000000000000000, -0.0004894200000000 ] - [ 0.0000920500000000, 0.0000000000000000, 0.0008101800000000 ] - [ 0.0007683400000000, 0.0000000000000000, -0.0003355900000000 ] - [ -0.0008328600000000, 0.0000000000000000, -0.0002737300000000 ] - [ 0.0014252400000000, 0.0000000000000000, 0.0003044600000000 ] - [ -0.0000325200000000, 0.0000000000000000, -0.0003055200000000 ] - [ -0.0009585100000000, 0.0000000000000000, 0.0003829600000000 ] - [ -0.0009981000000000, 0.0000000000000000, -0.0003816500000000 ] - [ 0.0011809900000000, 0.0000000000000000, -0.0003245700000000 ] - [ 0.0002796400000000, 0.0000000000000000, 0.0005766300000000 ] - [ -0.0001077000000000, 0.0000000000000000, 0.0000799700000000 ] - [ 0.0000126600000000, 0.0000000000000000, -0.0002417500000000 ] - [ 0.0000766500000000, 0.0000000000000000, 0.0000990400000000 ] - [ 0.0010039800000000, -0.0022385500000000, -0.0015259900000000 ] - [ 0.0034220200000000, 0.0000297300000000, 0.0036493900000000 ] - [ 0.0054949800000000, 0.0018736200000000, -0.0016520800000000 ] - [ 0.0075225200000000, 0.0000000000000000, -0.3926203200000000 ] - [ 0.0143409400000000, 0.0000000000000000, 0.1282269200000000 ] - [ 0.0259519200000000, 0.0000000000000000, 0.1272741400000000 ] - [ 0.0170650200000000, 0.0000000000000000, -0.0007336400000000 ] - [ 0.0177099100000000, 0.0000000000000000, 0.0014040200000000 ] - [ 0.0182672600000000, 0.0000000000000000, -0.0010088600000000 ] - [ -0.0172206400000000, 0.0000000000000000, 0.0027392500000000 ] - [ -0.0189733000000000, 0.0000000000000000, 0.0022153300000000 ] - [ -0.0187341500000000, 0.0000000000000000, -0.0052400800000000 ] - [ -0.0175752900000000, 0.0000000000000000, -0.0005615400000000 ] - [ -0.0171028200000000, 0.0000000000000000, 0.0014330100000000 ] - [ -0.0166017100000000, 0.0000000000000000, -0.0005577100000000 ] - [ -0.0014766800000000, 0.0033240900000000, -0.0087456200000000 ] - [ -0.0123170400000000, -0.0120827600000000, 0.0041781600000000 ] - [ 0.0063754500000000, 0.0131226300000000, 0.0040484300000000 ] - [ -0.0015892700000000, 0.0007811400000000, -0.0013691500000000 ] - [ -0.0028516700000000, 0.0002875200000000, 0.0028099100000000 ] - [ -0.0039631700000000, -0.0003048400000000, -0.0019925400000000 ] - [ 0.0154794800000000, 0.0078746400000000, 0.0036966500000000 ] - [ -0.0098948400000000, -0.0080177500000000, 0.0029232900000000 ] - [ 0.0026527500000000, -0.0006203500000000, -0.0090165600000000 ] - [ -0.0015892700000000, -0.0007811400000000, -0.0013691500000000 ] - [ -0.0028516700000000, -0.0002875200000000, 0.0028099100000000 ] - [ -0.0039631700000000, 0.0003048400000000, -0.0019925400000000 ] - [ 0.0154794800000000, -0.0078746400000000, 0.0036966500000000 ] - [ -0.0098948400000000, 0.0080177500000000, 0.0029232900000000 ] - [ 0.0026527500000000, 0.0006203500000000, -0.0090165600000000 ] - [ 0.0010039800000000, 0.0022385500000000, -0.0015259900000000 ] - [ 0.0034220200000000, -0.0000297300000000, 0.0036493900000000 ] - [ 0.0054949800000000, -0.0018736200000000, -0.0016520800000000 ] - [ -0.0014766800000000, -0.0033240900000000, -0.0087456200000000 ] - [ -0.0123170400000000, 0.0120827600000000, 0.0041781600000000 ] - [ 0.0063754500000000, -0.0131226300000000, 0.0040484300000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0082708000000000, -0.0064911400000000, -0.0153934300000000 ] - [ 0.0124536100000000, -0.0086323100000000, 0.0075886600000000 ] - [ -0.0172315800000000, 0.0125595000000000, 0.0062271200000000 ] - [ -0.0326306300000000, 0.0000000000000000, -0.1902700300000000 ] - [ -0.0140474000000000, 0.0000000000000000, 0.0608892400000000 ] - [ -0.0045511900000000, 0.0000000000000000, 0.0083989700000000 ] - [ -0.0153404600000000, 0.0000000000000000, 0.0006860800000000 ] - [ -0.0153810600000000, 0.0000000000000000, 0.0003855900000000 ] - [ -0.0153300300000000, 0.0000000000000000, -0.0016029200000000 ] - [ 0.0154419400000000, 0.0000000000000000, -0.0024987700000000 ] - [ 0.0153461200000000, 0.0000000000000000, 0.0050789600000000 ] - [ 0.0150613900000000, 0.0000000000000000, -0.0030695200000000 ] - [ -0.0003542700000000, -0.0001992300000000, -0.0000489300000000 ] - [ -0.0004956900000000, -0.0003426100000000, 0.0005477200000000 ] - [ -0.0005285500000000, -0.0002433300000000, -0.0001952600000000 ] - [ 0.0000540000000000, -0.0021562800000000, 0.0006005900000000 ] - [ 0.0007592600000000, 0.0025852800000000, 0.0004013300000000 ] - [ 0.0001259100000000, -0.0001363300000000, -0.0007618000000000 ] - [ 0.0000150900000000, 0.0004297100000000, -0.0003376300000000 ] - [ 0.0006600300000000, -0.0003955900000000, 0.0003676800000000 ] - [ 0.0012738600000000, -0.0012307000000000, -0.0003589600000000 ] - [ -0.0085825000000000, 0.0083331700000000, -0.0143418200000000 ] - [ -0.0117307800000000, 0.0164391500000000, 0.0073294600000000 ] - [ 0.0138839200000000, -0.0205081400000000, 0.0058998800000000 ] - [ 0.0000150900000000, -0.0004297100000000, -0.0003376300000000 ] - [ 0.0006600300000000, 0.0003955900000000, 0.0003676800000000 ] - [ 0.0012738600000000, 0.0012307000000000, -0.0003589600000000 ] - [ -0.0085825000000000, -0.0083331700000000, -0.0143418200000000 ] - [ -0.0117307800000000, -0.0164391500000000, 0.0073294600000000 ] - [ 0.0138839200000000, 0.0205081400000000, 0.0058998800000000 ] - [ -0.0003542700000000, 0.0001992300000000, -0.0000489300000000 ] - [ -0.0004956900000000, 0.0003426100000000, 0.0005477200000000 ] - [ -0.0005285500000000, 0.0002433300000000, -0.0001952600000000 ] - [ 0.0000540000000000, 0.0021562800000000, 0.0006005900000000 ] - [ 0.0007592600000000, -0.0025852800000000, 0.0004013300000000 ] - [ 0.0001259100000000, 0.0001363300000000, -0.0007618000000000 ] - [ -0.0035556300000000, -0.0004889100000000, -0.0027597600000000 ] - [ -0.0053021800000000, -0.0006469300000000, 0.0016404200000000 ] - [ -0.0019097600000000, -0.0002527400000000, 0.0013222100000000 ] - [ 0.0026779100000000, 0.0008436800000000, -0.0048892900000000 ] - [ 0.0040338600000000, 0.0006438600000000, 0.0099521800000000 ] - [ 0.0050966900000000, 0.0000859600000000, -0.0047429900000000 ] - [ 0.0058324600000000, -0.0012451300000000, 0.0010402200000000 ] - [ 0.0015964600000000, 0.0001836300000000, 0.0008082700000000 ] - [ 0.0043594700000000, -0.0006367100000000, -0.0022671700000000 ] - [ -0.0019782000000000, 0.0010382200000000, 0.0001038100000000 ] - [ -0.0008626500000000, 0.0008210400000000, 0.0004487700000000 ] - [ 0.0000010000000000, 0.0006601700000000, 0.0001080500000000 ] - [ 0.0058324600000000, 0.0012451300000000, 0.0010402200000000 ] - [ 0.0015964600000000, -0.0001836300000000, 0.0008082700000000 ] - [ 0.0043594700000000, 0.0006367100000000, -0.0022671700000000 ] - [ -0.0023933600000000, 0.0002125100000000, -0.0038865300000000 ] - [ -0.0035925600000000, -0.0004249300000000, 0.0082312500000000 ] - [ -0.0046131600000000, -0.0009026900000000, -0.0046611300000000 ] - [ -0.0035556300000000, 0.0004889100000000, -0.0027597600000000 ] - [ -0.0053021800000000, 0.0006469300000000, 0.0016404200000000 ] - [ -0.0019097600000000, 0.0002527400000000, 0.0013222100000000 ] - [ 0.0026779100000000, -0.0008436800000000, -0.0048892900000000 ] - [ 0.0040338600000000, -0.0006438600000000, 0.0099521800000000 ] - [ 0.0050966900000000, -0.0000859600000000, -0.0047429900000000 ] - [ 0.0019139200000000, 0.0024615400000000, 0.0008811600000000 ] - [ -0.0007144700000000, -0.0010559600000000, 0.0006107800000000 ] - [ 0.0005300600000000, 0.0004609000000000, -0.0008934200000000 ] - [ -0.0019782000000000, -0.0010382200000000, 0.0001038100000000 ] - [ -0.0008626500000000, -0.0008210400000000, 0.0004487700000000 ] - [ 0.0000010000000000, -0.0006601700000000, 0.0001080500000000 ] - [ -0.0023933600000000, -0.0002125100000000, -0.0038865300000000 ] - [ -0.0035925600000000, 0.0004249300000000, 0.0082312500000000 ] - [ -0.0046131600000000, 0.0009026900000000, -0.0046611300000000 ] - [ 0.0016116700000000, -0.0013456200000000, -0.0003352900000000 ] - [ 0.0011968600000000, -0.0010352400000000, 0.0000186500000000 ] - [ 0.0008597000000000, -0.0007706400000000, -0.0003268100000000 ] - [ 0.0082708000000000, 0.0064911400000000, -0.0153934300000000 ] - [ 0.0124536100000000, 0.0086323100000000, 0.0075886600000000 ] - [ -0.0172315800000000, -0.0125595000000000, 0.0062271200000000 ] - [ 0.0016116700000000, 0.0013456200000000, -0.0003352900000000 ] - [ 0.0011968600000000, 0.0010352400000000, 0.0000186500000000 ] - [ 0.0008597000000000, 0.0007706400000000, -0.0003268100000000 ] - [ 0.0019139200000000, -0.0024615400000000, 0.0008811600000000 ] - [ -0.0007144700000000, 0.0010559600000000, 0.0006107800000000 ] - [ 0.0005300600000000, -0.0004609000000000, -0.0008934200000000 ] - [ 0.0154650400000000, 0.0000000000000000, -0.0012061500000000 ] - [ 0.0153790200000000, 0.0000000000000000, 0.0008742300000000 ] - [ 0.0154931500000000, 0.0000000000000000, 0.0008354900000000 ] - [ -0.0000879700000000, 0.0000000000000000, -0.0007625400000000 ] - [ -0.0007599100000000, 0.0000000000000000, 0.0003862400000000 ] - [ 0.0008513100000000, 0.0000000000000000, 0.0003119100000000 ] - [ -0.0013984400000000, 0.0000000000000000, -0.0002671000000000 ] - [ 0.0000249500000000, 0.0000000000000000, 0.0003465300000000 ] - [ 0.0009644300000000, 0.0000000000000000, -0.0003440600000000 ] - [ 0.0009879200000000, 0.0000000000000000, 0.0003411000000000 ] - [ -0.0012046900000000, 0.0000000000000000, 0.0002845700000000 ] - [ -0.0002749200000000, 0.0000000000000000, -0.0006193300000000 ] - [ 0.0001221500000000, 0.0000000000000000, -0.0001215700000000 ] - [ -0.0000031600000000, 0.0000000000000000, 0.0002023400000000 ] - [ -0.0000661500000000, 0.0000000000000000, -0.0001406000000000 ] - [ 0.0050230300000000, 0.0026263600000000, 0.0018530200000000 ] - [ 0.0025722900000000, 0.0003891600000000, -0.0033322700000000 ] - [ 0.0005083300000000, -0.0014761600000000, 0.0020160300000000 ] - [ 0.0259003400000000, 0.0000000000000000, 0.3783967200000000 ] - [ 0.0205732800000000, 0.0000000000000000, -0.1285383600000000 ] - [ 0.0087015300000000, 0.0000000000000000, -0.1294973500000000 ] - [ 0.0178184100000000, 0.0000000000000000, 0.0005187600000000 ] - [ 0.0171788000000000, 0.0000000000000000, -0.0016242000000000 ] - [ 0.0166208500000000, 0.0000000000000000, 0.0008023700000000 ] - [ -0.0176870000000000, 0.0000000000000000, -0.0029850500000000 ] - [ -0.0159250200000000, 0.0000000000000000, -0.0024187900000000 ] - [ -0.0162078300000000, 0.0000000000000000, 0.0050582800000000 ] - [ -0.0172958200000000, 0.0000000000000000, 0.0007750100000000 ] - [ -0.0177748500000000, 0.0000000000000000, -0.0012267700000000 ] - [ -0.0182738700000000, 0.0000000000000000, 0.0007779600000000 ] - [ -0.0044053500000000, -0.0035412600000000, 0.0091217800000000 ] - [ 0.0063179200000000, 0.0116568400000000, -0.0039041200000000 ] - [ -0.0125120900000000, -0.0137455100000000, -0.0037072600000000 ] - [ -0.0044177500000000, -0.0003538700000000, 0.0010372200000000 ] - [ -0.0031394600000000, 0.0001422900000000, -0.0031649800000000 ] - [ -0.0020274300000000, 0.0007373400000000, 0.0016743800000000 ] - [ -0.0094843400000000, -0.0082839600000000, -0.0040517700000000 ] - [ 0.0160608800000000, 0.0077120600000000, -0.0032765800000000 ] - [ 0.0032976600000000, 0.0001665800000000, 0.0087279400000000 ] - [ -0.0044177500000000, 0.0003538700000000, 0.0010372200000000 ] - [ -0.0031394600000000, -0.0001422900000000, -0.0031649800000000 ] - [ -0.0020274300000000, -0.0007373400000000, 0.0016743800000000 ] - [ -0.0094843400000000, 0.0082839600000000, -0.0040517700000000 ] - [ 0.0160608800000000, -0.0077120600000000, -0.0032765800000000 ] - [ 0.0032976600000000, -0.0001665800000000, 0.0087279400000000 ] - [ 0.0050230300000000, -0.0026263600000000, 0.0018530200000000 ] - [ 0.0025722900000000, -0.0003891600000000, -0.0033322700000000 ] - [ 0.0005083300000000, 0.0014761600000000, 0.0020160300000000 ] - [ -0.0044053500000000, 0.0035412600000000, 0.0091217800000000 ] - [ 0.0063179200000000, -0.0116568400000000, -0.0039041200000000 ] - [ -0.0125120900000000, 0.0137455100000000, -0.0037072600000000 ]