# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/60ff553c-aea9-4d36-990b-858e04676caa/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 MgTlAs(H6O5)2 / Pmn2_1 (31) / materials id 556009](https://mdr.nims.go.jp/datasets/20097ec3-6131-4b44-9476-eb894b87fa65) ## 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: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.957965390000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.145742330000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.263440530000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.000000000000000, 0.371084510000000, 0.879747540000000 ] mass: 24.305000 - symbol: Mg # 2 coordinates: [ 0.500000000000000, 0.628915490000000, 0.379747540000000 ] mass: 24.305000 - symbol: Tl # 3 coordinates: [ 0.000000000000000, 0.391225950000000, 0.221440590000000 ] mass: 204.383300 - symbol: Tl # 4 coordinates: [ 0.500000000000000, 0.608774050000000, 0.721440590000000 ] mass: 204.383300 - symbol: As # 5 coordinates: [ 0.000000000000000, 0.999279550000000, 0.507283950000000 ] mass: 74.921600 - symbol: As # 6 coordinates: [ 0.500000000000000, 0.000720450000000, 0.007283950000000 ] mass: 74.921600 - symbol: H # 7 coordinates: [ 0.178742340000000, 0.621597900000000, 0.530832540000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.616884650000000, 0.013656400000000, 0.495384550000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.673292640000000, 0.173963030000000, 0.807809780000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.678742340000000, 0.378402100000000, 0.030832540000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.792906510000000, 0.211646090000000, 0.686469990000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.207093490000000, 0.211646090000000, 0.686469990000000 ] mass: 1.007940 - symbol: H # 13 coordinates: [ 0.292906510000000, 0.788353910000000, 0.186469990000000 ] mass: 1.007940 - symbol: H # 14 coordinates: [ 0.242988550000000, 0.623474560000000, 0.013739310000000 ] mass: 1.007940 - symbol: H # 15 coordinates: [ 0.500000000000000, 0.281762830000000, 0.218780970000000 ] mass: 1.007940 - symbol: H # 16 coordinates: [ 0.826707360000000, 0.826036970000000, 0.307809780000000 ] mass: 1.007940 - symbol: H # 17 coordinates: [ 0.707093490000000, 0.788353910000000, 0.186469990000000 ] mass: 1.007940 - symbol: H # 18 coordinates: [ 0.116884650000000, 0.986343600000000, 0.995384550000000 ] mass: 1.007940 - symbol: H # 19 coordinates: [ 0.821257660000000, 0.621597900000000, 0.530832540000000 ] mass: 1.007940 - symbol: H # 20 coordinates: [ 0.326707360000000, 0.173963030000000, 0.807809780000000 ] mass: 1.007940 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.176633400000000, 0.350807260000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.383115350000000, 0.013656400000000, 0.495384550000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.173292640000000, 0.826036970000000, 0.307809780000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.000000000000000, 0.823366600000000, 0.850807260000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.742988550000000, 0.376525440000000, 0.513739310000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.757011450000000, 0.623474560000000, 0.013739310000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.321257660000000, 0.378402100000000, 0.030832540000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.000000000000000, 0.718237170000000, 0.718780970000000 ] mass: 1.007940 - symbol: H # 29 coordinates: [ 0.883115350000000, 0.986343600000000, 0.995384550000000 ] mass: 1.007940 - symbol: H # 30 coordinates: [ 0.257011450000000, 0.376525440000000, 0.513739310000000 ] mass: 1.007940 - symbol: O # 31 coordinates: [ 0.773710410000000, 0.272859420000000, 0.769368210000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.702822880000000, 0.534294880000000, 0.506010810000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.500000000000000, 0.317213730000000, 0.306336160000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.701412210000000, 0.866951410000000, 0.051444590000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.298587790000000, 0.866951410000000, 0.051444590000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.682786270000000, 0.806336160000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.033661290000000, 0.858460240000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.249250820000000, 0.075099490000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.226289590000000, 0.272859420000000, 0.769368210000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.953908410000000, 0.451544120000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.297177120000000, 0.534294880000000, 0.506010810000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.000000000000000, 0.046091590000000, 0.951544120000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.273710410000000, 0.727140580000000, 0.269368210000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.201412210000000, 0.133048590000000, 0.551444590000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.726289590000000, 0.727140580000000, 0.269368210000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.798587790000000, 0.133048590000000, 0.551444590000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.797177120000000, 0.465705120000000, 0.006010810000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.966338710000000, 0.358460240000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.750749180000000, 0.575099490000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.202822880000000, 0.465705120000000, 0.006010810000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.143720174497735, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.162714273769431, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.088782818832000 ] # c*unit_cell: lattice: - [ 6.957965390000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.145742330000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.263440530000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.000000000000000, 0.371084510000000, 0.879747540000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.500000000000000, 0.628915490000000, 0.379747540000000 ] mass: 24.305000 reduced_to: 2 - symbol: Tl # 3 coordinates: [ 0.000000000000000, 0.391225950000000, 0.221440590000000 ] mass: 204.383300 reduced_to: 3 - symbol: Tl # 4 coordinates: [ 0.500000000000000, 0.608774050000000, 0.721440590000000 ] mass: 204.383300 reduced_to: 4 - symbol: As # 5 coordinates: [ 0.000000000000000, 0.999279550000000, 0.507283950000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.500000000000000, 0.000720450000000, 0.007283950000000 ] mass: 74.921600 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.178742340000000, 0.621597900000000, 0.530832540000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.616884650000000, 0.013656400000000, 0.495384550000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.673292640000000, 0.173963030000000, 0.807809780000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.678742340000000, 0.378402100000000, 0.030832540000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.792906510000000, 0.211646090000000, 0.686469990000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.207093490000000, 0.211646090000000, 0.686469990000000 ] mass: 1.007940 reduced_to: 12 - symbol: H # 13 coordinates: [ 0.292906510000000, 0.788353910000000, 0.186469990000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.242988550000000, 0.623474560000000, 0.013739310000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.500000000000000, 0.281762830000000, 0.218780970000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.826707360000000, 0.826036970000000, 0.307809780000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.707093490000000, 0.788353910000000, 0.186469990000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.116884650000000, 0.986343600000000, 0.995384550000000 ] mass: 1.007940 reduced_to: 18 - symbol: H # 19 coordinates: [ 0.821257660000000, 0.621597900000000, 0.530832540000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.326707360000000, 0.173963030000000, 0.807809780000000 ] mass: 1.007940 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.500000000000000, 0.176633400000000, 0.350807260000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.383115350000000, 0.013656400000000, 0.495384550000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.173292640000000, 0.826036970000000, 0.307809780000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.000000000000000, 0.823366600000000, 0.850807260000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.742988550000000, 0.376525440000000, 0.513739310000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.757011450000000, 0.623474560000000, 0.013739310000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.321257660000000, 0.378402100000000, 0.030832540000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.000000000000000, 0.718237170000000, 0.718780970000000 ] mass: 1.007940 reduced_to: 28 - symbol: H # 29 coordinates: [ 0.883115350000000, 0.986343600000000, 0.995384550000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.257011450000000, 0.376525440000000, 0.513739310000000 ] mass: 1.007940 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.773710410000000, 0.272859420000000, 0.769368210000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.702822880000000, 0.534294880000000, 0.506010810000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.500000000000000, 0.317213730000000, 0.306336160000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.701412210000000, 0.866951410000000, 0.051444590000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.298587790000000, 0.866951410000000, 0.051444590000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.682786270000000, 0.806336160000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.033661290000000, 0.858460240000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.249250820000000, 0.075099490000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.226289590000000, 0.272859420000000, 0.769368210000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.953908410000000, 0.451544120000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.297177120000000, 0.534294880000000, 0.506010810000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.000000000000000, 0.046091590000000, 0.951544120000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.273710410000000, 0.727140580000000, 0.269368210000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.201412210000000, 0.133048590000000, 0.551444590000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.726289590000000, 0.727140580000000, 0.269368210000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.798587790000000, 0.133048590000000, 0.551444590000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.797177120000000, 0.465705120000000, 0.006010810000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.966338710000000, 0.358460240000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.750749180000000, 0.575099490000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.202822880000000, 0.465705120000000, 0.006010810000000 ] mass: 15.999400 reduced_to: 50supercell: lattice: - [ 6.957965390000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.291484660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.263440530000000 ] # c points: - symbol: Mg # 1 coordinates: [ 0.000000000000000, 0.185542255000000, 0.879747540000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 2 coordinates: [ 0.000000000000000, 0.685542255000000, 0.879747540000000 ] mass: 24.305000 reduced_to: 1 - symbol: Mg # 3 coordinates: [ 0.500000000000000, 0.314457745000000, 0.379747540000000 ] mass: 24.305000 reduced_to: 3 - symbol: Mg # 4 coordinates: [ 0.500000000000000, 0.814457745000000, 0.379747540000000 ] mass: 24.305000 reduced_to: 3 - symbol: Tl # 5 coordinates: [ 0.000000000000000, 0.195612975000000, 0.221440590000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 6 coordinates: [ 0.000000000000000, 0.695612975000000, 0.221440590000000 ] mass: 204.383300 reduced_to: 5 - symbol: Tl # 7 coordinates: [ 0.500000000000000, 0.304387025000000, 0.721440590000000 ] mass: 204.383300 reduced_to: 7 - symbol: Tl # 8 coordinates: [ 0.500000000000000, 0.804387025000000, 0.721440590000000 ] mass: 204.383300 reduced_to: 7 - symbol: As # 9 coordinates: [ 0.000000000000000, 0.499639775000000, 0.507283950000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 10 coordinates: [ 0.000000000000000, 0.999639775000000, 0.507283950000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 11 coordinates: [ 0.500000000000000, 0.000360225000000, 0.007283950000000 ] mass: 74.921600 reduced_to: 11 - symbol: As # 12 coordinates: [ 0.500000000000000, 0.500360225000000, 0.007283950000000 ] mass: 74.921600 reduced_to: 11 - symbol: H # 13 coordinates: [ 0.178742340000000, 0.310798950000000, 0.530832540000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.178742340000000, 0.810798950000000, 0.530832540000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.616884650000000, 0.006828200000000, 0.495384550000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.616884650000000, 0.506828200000000, 0.495384550000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.673292640000000, 0.086981515000000, 0.807809780000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.673292640000000, 0.586981515000000, 0.807809780000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.678742340000000, 0.189201050000000, 0.030832540000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.678742340000000, 0.689201050000000, 0.030832540000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.792906510000000, 0.105823045000000, 0.686469990000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.792906510000000, 0.605823045000000, 0.686469990000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 23 coordinates: [ 0.207093490000000, 0.105823045000000, 0.686469990000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.207093490000000, 0.605823045000000, 0.686469990000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 25 coordinates: [ 0.292906510000000, 0.394176955000000, 0.186469990000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.292906510000000, 0.894176955000000, 0.186469990000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.242988550000000, 0.311737280000000, 0.013739310000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.242988550000000, 0.811737280000000, 0.013739310000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 29 coordinates: [ 0.500000000000000, 0.140881415000000, 0.218780970000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 30 coordinates: [ 0.500000000000000, 0.640881415000000, 0.218780970000000 ] mass: 1.007940 reduced_to: 29 - symbol: H # 31 coordinates: [ 0.826707360000000, 0.413018485000000, 0.307809780000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.826707360000000, 0.913018485000000, 0.307809780000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.707093490000000, 0.394176955000000, 0.186469990000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 34 coordinates: [ 0.707093490000000, 0.894176955000000, 0.186469990000000 ] mass: 1.007940 reduced_to: 33 - symbol: H # 35 coordinates: [ 0.116884650000000, 0.493171800000000, 0.995384550000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 36 coordinates: [ 0.116884650000000, 0.993171800000000, 0.995384550000000 ] mass: 1.007940 reduced_to: 35 - symbol: H # 37 coordinates: [ 0.821257660000000, 0.310798950000000, 0.530832540000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.821257660000000, 0.810798950000000, 0.530832540000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.326707360000000, 0.086981515000000, 0.807809780000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 40 coordinates: [ 0.326707360000000, 0.586981515000000, 0.807809780000000 ] mass: 1.007940 reduced_to: 39 - symbol: H # 41 coordinates: [ 0.500000000000000, 0.088316700000000, 0.350807260000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.500000000000000, 0.588316700000000, 0.350807260000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.383115350000000, 0.006828200000000, 0.495384550000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.383115350000000, 0.506828200000000, 0.495384550000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.173292640000000, 0.413018485000000, 0.307809780000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.173292640000000, 0.913018485000000, 0.307809780000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.000000000000000, 0.411683300000000, 0.850807260000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.000000000000000, 0.911683300000000, 0.850807260000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 49 coordinates: [ 0.742988550000000, 0.188262720000000, 0.513739310000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.742988550000000, 0.688262720000000, 0.513739310000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.757011450000000, 0.311737280000000, 0.013739310000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.757011450000000, 0.811737280000000, 0.013739310000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 53 coordinates: [ 0.321257660000000, 0.189201050000000, 0.030832540000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.321257660000000, 0.689201050000000, 0.030832540000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.000000000000000, 0.359118585000000, 0.718780970000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.000000000000000, 0.859118585000000, 0.718780970000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.883115350000000, 0.493171800000000, 0.995384550000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 58 coordinates: [ 0.883115350000000, 0.993171800000000, 0.995384550000000 ] mass: 1.007940 reduced_to: 57 - symbol: H # 59 coordinates: [ 0.257011450000000, 0.188262720000000, 0.513739310000000 ] mass: 1.007940 reduced_to: 59 - symbol: H # 60 coordinates: [ 0.257011450000000, 0.688262720000000, 0.513739310000000 ] mass: 1.007940 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.773710410000000, 0.136429710000000, 0.769368210000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.773710410000000, 0.636429710000000, 0.769368210000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.702822880000000, 0.267147440000000, 0.506010810000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.702822880000000, 0.767147440000000, 0.506010810000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.158606865000000, 0.306336160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.658606865000000, 0.306336160000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.701412210000000, 0.433475705000000, 0.051444590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.701412210000000, 0.933475705000000, 0.051444590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.298587790000000, 0.433475705000000, 0.051444590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.298587790000000, 0.933475705000000, 0.051444590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.000000000000000, 0.341393135000000, 0.806336160000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.000000000000000, 0.841393135000000, 0.806336160000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.500000000000000, 0.016830645000000, 0.858460240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.500000000000000, 0.516830645000000, 0.858460240000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.500000000000000, 0.124625410000000, 0.075099490000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.500000000000000, 0.624625410000000, 0.075099490000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.226289590000000, 0.136429710000000, 0.769368210000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.226289590000000, 0.636429710000000, 0.769368210000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.476954205000000, 0.451544120000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.976954205000000, 0.451544120000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.297177120000000, 0.267147440000000, 0.506010810000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.297177120000000, 0.767147440000000, 0.506010810000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.023045795000000, 0.951544120000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.000000000000000, 0.523045795000000, 0.951544120000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.273710410000000, 0.363570290000000, 0.269368210000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.273710410000000, 0.863570290000000, 0.269368210000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.201412210000000, 0.066524295000000, 0.551444590000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.201412210000000, 0.566524295000000, 0.551444590000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.726289590000000, 0.363570290000000, 0.269368210000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.726289590000000, 0.863570290000000, 0.269368210000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.798587790000000, 0.066524295000000, 0.551444590000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.798587790000000, 0.566524295000000, 0.551444590000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.797177120000000, 0.232852560000000, 0.006010810000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.797177120000000, 0.732852560000000, 0.006010810000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.000000000000000, 0.483169355000000, 0.358460240000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.000000000000000, 0.983169355000000, 0.358460240000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.000000000000000, 0.375374590000000, 0.575099490000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.000000000000000, 0.875374590000000, 0.575099490000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.202822880000000, 0.232852560000000, 0.006010810000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.202822880000000, 0.732852560000000, 0.006010810000000 ] mass: 15.999400 reduced_to: 99displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1009027900000000, -0.0003139300000000, 0.0003517200000000 ] - [ 0.0000049400000000, -0.0004530600000000, 0.0003390800000000 ] - [ 0.0006599900000000, 0.0004554600000000, 0.0003364000000000 ] - [ 0.0000181300000000, 0.0004525600000000, 0.0003387600000000 ] - [ -0.0040683200000000, -0.0000295400000000, 0.0002483400000000 ] - [ -0.0000497300000000, -0.0000296600000000, 0.0002562600000000 ] - [ 0.0073963000000000, 0.0000360500000000, 0.0002427600000000 ] - [ 0.0002032500000000, 0.0000269500000000, 0.0002551300000000 ] - [ 0.0001012100000000, 0.0006496600000000, -0.0005556500000000 ] - [ -0.0054453800000000, 0.0006494300000000, -0.0005591400000000 ] - [ 0.0030143700000000, -0.0006829600000000, -0.0005284700000000 ] - [ 0.0052440100000000, -0.0006522500000000, -0.0005557800000000 ] - [ 0.0005134200000000, 0.0007992400000000, -0.0004301800000000 ] - [ 0.0006647500000000, 0.0004794100000000, -0.0003234000000000 ] - [ 0.0005017900000000, 0.0002118300000000, -0.0000436800000000 ] - [ -0.0003123200000000, -0.0001436500000000, -0.0004299300000000 ] - [ 0.0095398300000000, 0.0050021800000000, -0.0009001800000000 ] - [ -0.0001415900000000, -0.0001273900000000, -0.0000296900000000 ] - [ 0.0086576300000000, 0.0029643100000000, -0.0049585600000000 ] - [ 0.0008483400000000, -0.0005202700000000, -0.0003865400000000 ] - [ -0.0022424100000000, 0.0017141500000000, 0.0076431100000000 ] - [ 0.0002740600000000, 0.0002788100000000, 0.0003499900000000 ] - [ -0.0027580000000000, -0.0011969600000000, -0.0069532700000000 ] - [ -0.0002667800000000, 0.0002410700000000, 0.0003747900000000 ] - [ 0.0004211500000000, 0.0000932200000000, 0.0011408400000000 ] - [ 0.0002475600000000, -0.0002824400000000, 0.0004413800000000 ] - [ 0.0021575900000000, 0.0067103800000000, 0.0021167700000000 ] - [ 0.0000890200000000, -0.0004739500000000, 0.0000140700000000 ] - [ 0.0002121300000000, 0.0006763000000000, 0.0004702600000000 ] - [ 0.0000252700000000, 0.0006746900000000, 0.0004658600000000 ] - [ -0.0001556200000000, 0.0000098100000000, -0.0001692100000000 ] - [ 0.0000855900000000, 0.0000927400000000, -0.0000480600000000 ] - [ -0.0001185600000000, -0.0006144200000000, -0.0004140200000000 ] - [ -0.0002917800000000, -0.0002385900000000, 0.0002869500000000 ] - [ -0.0010752300000000, 0.0006422500000000, -0.0006452300000000 ] - [ -0.0021670300000000, -0.0035284100000000, 0.0004491900000000 ] - [ -0.0009606400000000, 0.0002232100000000, -0.0002422300000000 ] - [ -0.0008182200000000, 0.0005372000000000, -0.0003513100000000 ] - [ 0.0099865100000000, -0.0053723500000000, 0.0007086100000000 ] - [ 0.0002194700000000, -0.0001822700000000, -0.0000941400000000 ] - [ 0.0000306600000000, 0.0004073200000000, 0.0005772800000000 ] - [ 0.0000267200000000, 0.0004084400000000, 0.0005768100000000 ] - [ 0.0011367100000000, -0.0004674200000000, -0.0007494700000000 ] - [ 0.0003192600000000, -0.0001099500000000, -0.0003630100000000 ] - [ -0.0005200400000000, 0.0003017600000000, 0.0000463000000000 ] - [ -0.0002773000000000, 0.0002174300000000, -0.0000762100000000 ] - [ 0.0000114800000000, -0.0004111900000000, 0.0005705200000000 ] - [ -0.0005765400000000, -0.0003952600000000, 0.0005863000000000 ] - [ 0.0002627000000000, -0.0000628200000000, 0.0007185800000000 ] - [ 0.0001334800000000, 0.0004478700000000, 0.0000106400000000 ] - [ 0.0018481800000000, -0.0075352300000000, -0.0020290000000000 ] - [ -0.0001915900000000, -0.0003801600000000, 0.0000220600000000 ] - [ 0.0072200900000000, -0.0039425400000000, 0.0043802100000000 ] - [ -0.0006347000000000, -0.0004960200000000, -0.0002879100000000 ] - [ 0.0000923600000000, -0.0006735600000000, 0.0004780600000000 ] - [ -0.0002623200000000, -0.0006749800000000, 0.0004680300000000 ] - [ -0.0004345300000000, -0.0003859900000000, -0.0001520100000000 ] - [ -0.0014928700000000, 0.0037834100000000, -0.0012368800000000 ] - [ -0.0000208400000000, 0.0009156500000000, -0.0006814400000000 ] - [ -0.0001503600000000, 0.0004029500000000, 0.0000268700000000 ] - [ 0.0154070100000000, 0.0058345300000000, 0.0058488900000000 ] - [ -0.0001030300000000, -0.0003739300000000, -0.0001168200000000 ] - [ -0.0006068300000000, 0.0000437900000000, -0.0002368300000000 ] - [ -0.0002430700000000, -0.0007053800000000, -0.0000084000000000 ] - [ 0.0000188600000000, -0.0002992600000000, -0.0004228900000000 ] - [ -0.0000257900000000, -0.0002986700000000, -0.0004202600000000 ] - [ -0.0031814300000000, 0.0043059400000000, 0.0003225900000000 ] - [ -0.0006047400000000, 0.0002517100000000, -0.0006615800000000 ] - [ -0.0017766100000000, -0.0042904600000000, -0.0008829000000000 ] - [ 0.0008216900000000, -0.0002230300000000, 0.0001008500000000 ] - [ 0.0054453000000000, 0.0002105700000000, -0.0003851100000000 ] - [ 0.0003881700000000, 0.0002935000000000, -0.0004272600000000 ] - [ -0.0076342800000000, -0.0000752200000000, 0.0006687600000000 ] - [ -0.0006923900000000, -0.0000936000000000, 0.0006724700000000 ] - [ -0.0073476700000000, -0.0005180000000000, 0.0001556900000000 ] - [ -0.0011203300000000, -0.0005174800000000, 0.0001664700000000 ] - [ 0.0163553100000000, -0.0069236000000000, -0.0068323800000000 ] - [ -0.0000044900000000, -0.0003156800000000, -0.0001230800000000 ] - [ -0.0001065400000000, 0.0000026500000000, 0.0002064700000000 ] - [ -0.0009586300000000, 0.0000044600000000, 0.0002051700000000 ] - [ -0.0000109300000000, -0.0014381400000000, 0.0001548100000000 ] - [ 0.0003454500000000, -0.0006851700000000, -0.0000792900000000 ] - [ 0.0112280400000000, 0.0000292600000000, 0.0001780100000000 ] - [ 0.0007904600000000, 0.0000029200000000, 0.0002128900000000 ] - [ 0.0001892300000000, 0.0003273300000000, -0.0008847500000000 ] - [ 0.0000391200000000, 0.0002980300000000, -0.0001696900000000 ] - [ 0.0011587100000000, 0.0019502400000000, 0.0046143800000000 ] - [ -0.0007155500000000, 0.0000348300000000, -0.0003028100000000 ] - [ 0.0002819400000000, 0.0003660200000000, 0.0006443900000000 ] - [ 0.0001330600000000, 0.0003972900000000, -0.0000721400000000 ] - [ 0.0025613900000000, -0.0019642000000000, -0.0051505500000000 ] - [ 0.0006874800000000, -0.0000543800000000, -0.0002541500000000 ] - [ 0.0156399400000000, -0.0023152700000000, -0.0062518600000000 ] - [ 0.0002335500000000, 0.0006492500000000, -0.0000119100000000 ] - [ 0.0002634700000000, 0.0000928300000000, 0.0006724000000000 ] - [ 0.0010669800000000, 0.0000925600000000, 0.0006757600000000 ] - [ 0.0001265400000000, 0.0005194800000000, 0.0001554300000000 ] - [ 0.0007751500000000, 0.0005203000000000, 0.0001653100000000 ] - [ 0.0156953500000000, 0.0039882300000000, 0.0068530800000000 ] - [ -0.0003523400000000, 0.0007471700000000, -0.0000764500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0937320200000000, -0.0054978900000000 ] - [ 0.0000000000000000, 0.0050045400000000, -0.0003057800000000 ] - [ 0.0000000000000000, -0.0002645200000000, 0.0004701200000000 ] - [ 0.0000000000000000, 0.0014937800000000, 0.0000198000000000 ] - [ 0.0000000000000000, -0.0030230800000000, 0.0017270000000000 ] - [ 0.0000000000000000, 0.0016885700000000, -0.0000499000000000 ] - [ 0.0000000000000000, -0.0043309000000000, -0.0016762900000000 ] - [ 0.0000000000000000, 0.0020740500000000, 0.0010807700000000 ] - [ 0.0000000000000000, 0.0053063900000000, -0.0025434600000000 ] - [ 0.0000000000000000, 0.0007392900000000, 0.0014168300000000 ] - [ 0.0000000000000000, -0.0081452000000000, -0.0042585900000000 ] - [ 0.0000000000000000, 0.0041445900000000, -0.0004793400000000 ] - [ 0.0021161700000000, -0.0005946100000000, -0.0010260400000000 ] - [ 0.0000996000000000, 0.0011010100000000, -0.0000713000000000 ] - [ 0.0000460300000000, -0.0000370000000000, -0.0001277400000000 ] - [ -0.0005234200000000, -0.0000748400000000, -0.0005054400000000 ] - [ 0.0037057800000000, 0.0004190200000000, 0.0018914600000000 ] - [ 0.0001406900000000, 0.0008635400000000, -0.0006534600000000 ] - [ -0.0020138000000000, -0.0059516700000000, -0.0008722700000000 ] - [ 0.0018830100000000, 0.0007247900000000, -0.0007012800000000 ] - [ 0.0013870300000000, 0.0011144500000000, 0.0039658800000000 ] - [ 0.0000278200000000, 0.0008534100000000, 0.0005368300000000 ] - [ -0.0013870300000000, 0.0011144500000000, 0.0039658800000000 ] - [ -0.0000278200000000, 0.0008534100000000, 0.0005368300000000 ] - [ 0.0002010700000000, -0.0004323800000000, 0.0014654900000000 ] - [ 0.0005527900000000, 0.0004787400000000, -0.0017009600000000 ] - [ 0.0041849500000000, 0.0005112800000000, 0.0046000300000000 ] - [ 0.0002904200000000, 0.0020570900000000, 0.0000218200000000 ] - [ 0.0000000000000000, 0.0002765500000000, -0.0001314700000000 ] - [ 0.0000000000000000, 0.0009852100000000, 0.0010058900000000 ] - [ 0.0001454200000000, 0.0001761100000000, -0.0000898600000000 ] - [ 0.0001413900000000, 0.0000904400000000, -0.0002050000000000 ] - [ -0.0002010700000000, -0.0004323800000000, 0.0014654900000000 ] - [ -0.0005527900000000, 0.0004787400000000, -0.0017009600000000 ] - [ 0.0008509800000000, 0.0009250800000000, 0.0008210800000000 ] - [ -0.0088291000000000, 0.0043579300000000, -0.0040152100000000 ] - [ -0.0021161700000000, -0.0005946100000000, -0.0010260400000000 ] - [ -0.0000996000000000, 0.0011010100000000, -0.0000713000000000 ] - [ -0.0037057800000000, 0.0004190200000000, 0.0018914600000000 ] - [ -0.0001406900000000, 0.0008635400000000, -0.0006534600000000 ] - [ 0.0000000000000000, -0.0001800000000000, 0.0009464600000000 ] - [ 0.0000000000000000, 0.0008378000000000, 0.0003149700000000 ] - [ -0.0000460300000000, -0.0000370000000000, -0.0001277400000000 ] - [ 0.0005234200000000, -0.0000748400000000, -0.0005054400000000 ] - [ -0.0001454200000000, 0.0001761100000000, -0.0000898600000000 ] - [ -0.0001413900000000, 0.0000904400000000, -0.0002050000000000 ] - [ 0.0000000000000000, 0.0073202700000000, 0.0032308800000000 ] - [ 0.0000000000000000, 0.0066873500000000, 0.0048735800000000 ] - [ 0.0005369900000000, -0.0014822800000000, 0.0005069400000000 ] - [ -0.0002022900000000, 0.0018590800000000, -0.0001868200000000 ] - [ -0.0041849500000000, 0.0005112800000000, 0.0046000300000000 ] - [ -0.0002904200000000, 0.0020570900000000, 0.0000218200000000 ] - [ 0.0020138000000000, -0.0059516700000000, -0.0008722700000000 ] - [ -0.0018830100000000, 0.0007247900000000, -0.0007012800000000 ] - [ 0.0000000000000000, -0.0001044400000000, -0.0100108000000000 ] - [ 0.0000000000000000, -0.0006523000000000, 0.0024545200000000 ] - [ -0.0008509800000000, 0.0009250800000000, 0.0008210800000000 ] - [ 0.0088291000000000, 0.0043579300000000, -0.0040152100000000 ] - [ -0.0005369900000000, -0.0014822800000000, 0.0005069400000000 ] - [ 0.0002022900000000, 0.0018590800000000, -0.0001868200000000 ] - [ 0.0019628100000000, 0.0101922300000000, 0.0007603700000000 ] - [ 0.0002439100000000, -0.0025474800000000, 0.0002883300000000 ] - [ 0.0001625500000000, 0.0012539800000000, 0.0003787300000000 ] - [ -0.0003627500000000, -0.0020932500000000, -0.0002702400000000 ] - [ 0.0000000000000000, 0.0006694100000000, -0.0002250400000000 ] - [ 0.0000000000000000, -0.0011378200000000, -0.0006052000000000 ] - [ 0.0007399000000000, -0.0011415600000000, -0.0013759000000000 ] - [ -0.0054958400000000, -0.0018151400000000, 0.0027016600000000 ] - [ -0.0007399000000000, -0.0011415600000000, -0.0013759000000000 ] - [ 0.0054958400000000, -0.0018151400000000, 0.0027016600000000 ] - [ 0.0000000000000000, 0.0271677700000000, -0.0050166000000000 ] - [ 0.0000000000000000, -0.0048541700000000, -0.0037036900000000 ] - [ 0.0000000000000000, -0.0000513400000000, 0.0014536000000000 ] - [ 0.0000000000000000, -0.0015094400000000, 0.0014865500000000 ] - [ 0.0000000000000000, 0.0072180000000000, 0.0005876700000000 ] - [ 0.0000000000000000, -0.0035328000000000, -0.0001717000000000 ] - [ -0.0019628100000000, 0.0101922300000000, 0.0007603700000000 ] - [ -0.0002439100000000, -0.0025474800000000, 0.0002883300000000 ] - [ 0.0000000000000000, -0.0002011700000000, 0.0003737500000000 ] - [ 0.0000000000000000, 0.0000454600000000, -0.0002199100000000 ] - [ -0.0001625500000000, 0.0012539800000000, 0.0003787300000000 ] - [ 0.0003627500000000, -0.0020932500000000, -0.0002702400000000 ] - [ 0.0000000000000000, 0.0111692100000000, -0.0034399300000000 ] - [ 0.0000000000000000, -0.0052012700000000, -0.0030334400000000 ] - [ 0.0002087700000000, 0.0008222300000000, -0.0008431500000000 ] - [ -0.0004525800000000, -0.0005344300000000, 0.0011981200000000 ] - [ -0.0004743700000000, 0.0003979200000000, -0.0022885200000000 ] - [ -0.0014632400000000, -0.0017063200000000, -0.0000966800000000 ] - [ -0.0002087700000000, 0.0008222300000000, -0.0008431500000000 ] - [ 0.0004525800000000, -0.0005344300000000, 0.0011981200000000 ] - [ 0.0004743700000000, 0.0003979200000000, -0.0022885200000000 ] - [ 0.0014632400000000, -0.0017063200000000, -0.0000966800000000 ] - [ -0.0012705400000000, 0.0153227800000000, 0.0017948900000000 ] - [ -0.0001349900000000, -0.0021953300000000, 0.0003258300000000 ] - [ 0.0000000000000000, -0.0011058600000000, 0.0020017100000000 ] - [ 0.0000000000000000, 0.0006460200000000, -0.0002677000000000 ] - [ 0.0000000000000000, -0.0014673600000000, 0.0071644300000000 ] - [ 0.0000000000000000, 0.0001897900000000, -0.0014270400000000 ] - [ 0.0012705400000000, 0.0153227800000000, 0.0017948900000000 ] - [ 0.0001349900000000, -0.0021953300000000, 0.0003258300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0921843400000000, 0.0064200400000000 ] - [ 0.0000000000000000, -0.0059084900000000, 0.0009854600000000 ] - [ 0.0000000000000000, 0.0011662900000000, 0.0002076800000000 ] - [ 0.0000000000000000, -0.0005833100000000, 0.0006607500000000 ] - [ 0.0000000000000000, 0.0029658700000000, -0.0012428300000000 ] - [ 0.0000000000000000, -0.0017463700000000, 0.0005680500000000 ] - [ 0.0000000000000000, 0.0043590000000000, 0.0021938300000000 ] - [ 0.0000000000000000, -0.0020117600000000, -0.0005692300000000 ] - [ 0.0000000000000000, -0.0039935900000000, 0.0014222300000000 ] - [ 0.0000000000000000, 0.0005947100000000, -0.0025377900000000 ] - [ 0.0000000000000000, 0.0068894300000000, 0.0031325100000000 ] - [ 0.0000000000000000, -0.0054541400000000, -0.0006354700000000 ] - [ -0.0006270600000000, 0.0016056800000000, 0.0003506800000000 ] - [ 0.0013815300000000, -0.0000816700000000, -0.0006020300000000 ] - [ -0.0006775400000000, -0.0002158900000000, -0.0006636000000000 ] - [ -0.0001126000000000, -0.0001818000000000, -0.0002875700000000 ] - [ -0.0040920600000000, -0.0006986300000000, -0.0020412800000000 ] - [ -0.0005068200000000, -0.0011734800000000, 0.0005317600000000 ] - [ 0.0035013500000000, 0.0049595500000000, 0.0001865300000000 ] - [ -0.0004041600000000, -0.0017435500000000, 0.0000290900000000 ] - [ -0.0008699900000000, -0.0005796000000000, -0.0032345200000000 ] - [ 0.0005123100000000, -0.0003329300000000, 0.0001866000000000 ] - [ 0.0008699900000000, -0.0005796000000000, -0.0032345200000000 ] - [ -0.0005123100000000, -0.0003329300000000, 0.0001866000000000 ] - [ 0.0003379000000000, -0.0000932100000000, -0.0007340300000000 ] - [ -0.0000139600000000, -0.0009998500000000, 0.0024338000000000 ] - [ -0.0038537000000000, -0.0013830600000000, -0.0045220700000000 ] - [ -0.0000069100000000, -0.0029087000000000, 0.0000176000000000 ] - [ 0.0000000000000000, 0.0010744800000000, 0.0010620100000000 ] - [ 0.0000000000000000, 0.0003643000000000, -0.0000731800000000 ] - [ 0.0002143800000000, 0.0001313700000000, -0.0000343200000000 ] - [ 0.0002256800000000, 0.0002245800000000, 0.0000857400000000 ] - [ -0.0003379000000000, -0.0000932100000000, -0.0007340300000000 ] - [ 0.0000139600000000, -0.0009998500000000, 0.0024338000000000 ] - [ -0.0014716800000000, -0.0006649900000000, -0.0016035000000000 ] - [ 0.0082324600000000, -0.0041904700000000, 0.0032645900000000 ] - [ 0.0006270600000000, 0.0016056800000000, 0.0003506800000000 ] - [ -0.0013815300000000, -0.0000816700000000, -0.0006020300000000 ] - [ 0.0040920600000000, -0.0006986300000000, -0.0020412800000000 ] - [ 0.0005068200000000, -0.0011734800000000, 0.0005317600000000 ] - [ 0.0000000000000000, 0.0009989400000000, 0.0002080400000000 ] - [ 0.0000000000000000, -0.0000231400000000, 0.0008411500000000 ] - [ 0.0006775400000000, -0.0002158900000000, -0.0006636000000000 ] - [ 0.0001126000000000, -0.0001818000000000, -0.0002875700000000 ] - [ -0.0002143800000000, 0.0001313700000000, -0.0000343200000000 ] - [ -0.0002256800000000, 0.0002245800000000, 0.0000857400000000 ] - [ 0.0000000000000000, -0.0079851600000000, -0.0021488900000000 ] - [ 0.0000000000000000, -0.0075492800000000, -0.0037255400000000 ] - [ -0.0002528700000000, 0.0023335000000000, -0.0004662300000000 ] - [ 0.0004855700000000, -0.0010064600000000, 0.0002249500000000 ] - [ 0.0038537000000000, -0.0013830600000000, -0.0045220700000000 ] - [ 0.0000069100000000, -0.0029087000000000, 0.0000176000000000 ] - [ -0.0035013500000000, 0.0049595500000000, 0.0001865300000000 ] - [ 0.0004041600000000, -0.0017435500000000, 0.0000290900000000 ] - [ 0.0000000000000000, -0.0011698700000000, 0.0108760700000000 ] - [ 0.0000000000000000, -0.0006952200000000, -0.0015416000000000 ] - [ 0.0014716800000000, -0.0006649900000000, -0.0016035000000000 ] - [ -0.0082324600000000, -0.0041904700000000, 0.0032645900000000 ] - [ 0.0002528700000000, 0.0023335000000000, -0.0004662300000000 ] - [ -0.0004855700000000, -0.0010064600000000, 0.0002249500000000 ] - [ -0.0020887200000000, -0.0108661800000000, -0.0010312900000000 ] - [ -0.0003345000000000, 0.0018536200000000, -0.0005257100000000 ] - [ -0.0007460200000000, -0.0026413600000000, -0.0004673000000000 ] - [ -0.0002242900000000, 0.0006987700000000, 0.0001830200000000 ] - [ 0.0000000000000000, -0.0012686500000000, -0.0006129300000000 ] - [ 0.0000000000000000, 0.0005404600000000, -0.0002358800000000 ] - [ -0.0021372600000000, 0.0011828100000000, 0.0008154300000000 ] - [ 0.0041269500000000, 0.0018394600000000, -0.0032660000000000 ] - [ 0.0021372600000000, 0.0011828100000000, 0.0008154300000000 ] - [ -0.0041269500000000, 0.0018394600000000, -0.0032660000000000 ] - [ 0.0000000000000000, -0.0247833800000000, 0.0033941500000000 ] - [ 0.0000000000000000, 0.0054725500000000, 0.0028751700000000 ] - [ 0.0000000000000000, -0.0001620600000000, -0.0000871000000000 ] - [ 0.0000000000000000, 0.0013313600000000, -0.0001430200000000 ] - [ 0.0000000000000000, -0.0082809700000000, -0.0002482300000000 ] - [ 0.0000000000000000, 0.0025068000000000, 0.0005085100000000 ] - [ 0.0020887200000000, -0.0108661800000000, -0.0010312900000000 ] - [ 0.0003345000000000, 0.0018536200000000, -0.0005257100000000 ] - [ 0.0000000000000000, 0.0002124800000000, 0.0000374600000000 ] - [ 0.0000000000000000, -0.0000423200000000, 0.0006318800000000 ] - [ 0.0007460200000000, -0.0026413600000000, -0.0004673000000000 ] - [ 0.0002242900000000, 0.0006987700000000, 0.0001830200000000 ] - [ 0.0000000000000000, -0.0124551000000000, 0.0044390100000000 ] - [ 0.0000000000000000, 0.0051737600000000, 0.0034352100000000 ] - [ -0.0003036800000000, -0.0001181600000000, 0.0006020900000000 ] - [ 0.0003598400000000, 0.0012278200000000, -0.0014445200000000 ] - [ -0.0009327100000000, -0.0004302000000000, 0.0017190900000000 ] - [ 0.0000594100000000, 0.0016871900000000, -0.0004553800000000 ] - [ 0.0003036800000000, -0.0001181600000000, 0.0006020900000000 ] - [ -0.0003598400000000, 0.0012278200000000, -0.0014445200000000 ] - [ 0.0009327100000000, -0.0004302000000000, 0.0017190900000000 ] - [ -0.0000594100000000, 0.0016871900000000, -0.0004553800000000 ] - [ 0.0018517500000000, -0.0139588100000000, -0.0018469100000000 ] - [ 0.0007248500000000, 0.0035906200000000, -0.0004174500000000 ] - [ 0.0000000000000000, 0.0012917000000000, -0.0006538300000000 ] - [ 0.0000000000000000, -0.0004744800000000, 0.0016057400000000 ] - [ 0.0000000000000000, 0.0024959000000000, -0.0067994500000000 ] - [ 0.0000000000000000, 0.0008329400000000, 0.0017754700000000 ] - [ -0.0018517500000000, -0.0139588100000000, -0.0018469100000000 ] - [ -0.0007248500000000, 0.0035906200000000, -0.0004174500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0065157400000000, -0.0999871300000000 ] - [ 0.0000000000000000, -0.0010984500000000, -0.0009241500000000 ] - [ 0.0000000000000000, 0.0003237300000000, 0.0042278400000000 ] - [ 0.0000000000000000, 0.0007729600000000, 0.0017222100000000 ] - [ 0.0000000000000000, -0.0006030000000000, 0.0094979800000000 ] - [ 0.0000000000000000, -0.0001643000000000, 0.0008541700000000 ] - [ 0.0000000000000000, -0.0040785600000000, 0.0001820100000000 ] - [ 0.0000000000000000, 0.0005743900000000, -0.0001023500000000 ] - [ 0.0000000000000000, -0.0023757000000000, 0.0034893200000000 ] - [ 0.0000000000000000, 0.0051862300000000, 0.0057017300000000 ] - [ 0.0000000000000000, -0.0056563800000000, -0.0119651200000000 ] - [ 0.0000000000000000, 0.0027550000000000, -0.0057066900000000 ] - [ 0.0005589400000000, 0.0003512000000000, 0.0007059500000000 ] - [ 0.0002841500000000, 0.0009221000000000, -0.0000825600000000 ] - [ 0.0009119600000000, 0.0004672700000000, 0.0004243400000000 ] - [ -0.0001001900000000, -0.0002329100000000, -0.0000585800000000 ] - [ 0.0043859100000000, 0.0036689100000000, -0.0067520100000000 ] - [ 0.0003511600000000, 0.0000040000000000, -0.0005082900000000 ] - [ -0.0039695700000000, -0.0044271300000000, 0.0018538400000000 ] - [ 0.0010406100000000, -0.0003135700000000, -0.0005372100000000 ] - [ 0.0036887700000000, 0.0027205300000000, 0.0073094400000000 ] - [ 0.0003776800000000, -0.0000496700000000, 0.0001470100000000 ] - [ -0.0036887700000000, 0.0027205300000000, 0.0073094400000000 ] - [ -0.0003776800000000, -0.0000496700000000, 0.0001470100000000 ] - [ 0.0002899700000000, 0.0002811300000000, 0.0010378000000000 ] - [ 0.0000426000000000, -0.0007555000000000, 0.0013792000000000 ] - [ 0.0015137500000000, 0.0066002900000000, 0.0006795200000000 ] - [ 0.0000427100000000, -0.0015130600000000, -0.0002175400000000 ] - [ 0.0000000000000000, 0.0007440600000000, 0.0023663200000000 ] - [ 0.0000000000000000, 0.0008482300000000, 0.0011211900000000 ] - [ 0.0011784900000000, 0.0011422100000000, 0.0009702100000000 ] - [ 0.0007213000000000, 0.0005351500000000, 0.0005193400000000 ] - [ -0.0002899700000000, 0.0002811300000000, 0.0010378000000000 ] - [ -0.0000426000000000, -0.0007555000000000, 0.0013792000000000 ] - [ -0.0016919100000000, 0.0010770100000000, -0.0014530400000000 ] - [ 0.0026543200000000, -0.0034657600000000, 0.0011650600000000 ] - [ -0.0005589400000000, 0.0003512000000000, 0.0007059500000000 ] - [ -0.0002841500000000, 0.0009221000000000, -0.0000825600000000 ] - [ -0.0043859100000000, 0.0036689100000000, -0.0067520100000000 ] - [ -0.0003511600000000, 0.0000040000000000, -0.0005082900000000 ] - [ 0.0000000000000000, -0.0006352100000000, 0.0018662900000000 ] - [ 0.0000000000000000, 0.0001094400000000, 0.0011337800000000 ] - [ -0.0009119600000000, 0.0004672700000000, 0.0004243400000000 ] - [ 0.0001001900000000, -0.0002329100000000, -0.0000585800000000 ] - [ -0.0011784900000000, 0.0011422100000000, 0.0009702100000000 ] - [ -0.0007213000000000, 0.0005351500000000, 0.0005193400000000 ] - [ 0.0000000000000000, -0.0013852800000000, -0.0052657500000000 ] - [ 0.0000000000000000, -0.0028764800000000, -0.0034963300000000 ] - [ 0.0003474300000000, 0.0000191100000000, 0.0012505000000000 ] - [ 0.0002085400000000, 0.0001727700000000, 0.0001638000000000 ] - [ -0.0015137500000000, 0.0066002900000000, 0.0006795200000000 ] - [ -0.0000427100000000, -0.0015130600000000, -0.0002175400000000 ] - [ 0.0039695700000000, -0.0044271300000000, 0.0018538400000000 ] - [ -0.0010406100000000, -0.0003135700000000, -0.0005372100000000 ] - [ 0.0000000000000000, -0.0058119000000000, 0.0039838800000000 ] - [ 0.0000000000000000, 0.0001841300000000, -0.0004593500000000 ] - [ 0.0016919100000000, 0.0010770100000000, -0.0014530400000000 ] - [ -0.0026543200000000, -0.0034657600000000, 0.0011650600000000 ] - [ -0.0003474300000000, 0.0000191100000000, 0.0012505000000000 ] - [ -0.0002085400000000, 0.0001727700000000, 0.0001638000000000 ] - [ 0.0037782000000000, 0.0029997900000000, 0.0171463500000000 ] - [ -0.0002515600000000, -0.0002417200000000, 0.0005089700000000 ] - [ -0.0005258600000000, -0.0003389500000000, -0.0025021700000000 ] - [ -0.0006596200000000, -0.0007927900000000, -0.0004686100000000 ] - [ 0.0000000000000000, 0.0000840800000000, -0.0030341900000000 ] - [ 0.0000000000000000, -0.0002360600000000, -0.0013064200000000 ] - [ 0.0004508700000000, -0.0050611000000000, 0.0002347900000000 ] - [ 0.0010638700000000, 0.0021333600000000, 0.0007384000000000 ] - [ -0.0004508700000000, -0.0050611000000000, 0.0002347900000000 ] - [ -0.0010638700000000, 0.0021333600000000, 0.0007384000000000 ] - [ 0.0000000000000000, -0.0049945600000000, 0.0152937500000000 ] - [ 0.0000000000000000, 0.0018871100000000, 0.0025890800000000 ] - [ 0.0000000000000000, -0.0047269300000000, 0.0101934800000000 ] - [ 0.0000000000000000, -0.0000198200000000, 0.0040546100000000 ] - [ 0.0000000000000000, 0.0066920800000000, -0.0000600100000000 ] - [ 0.0000000000000000, -0.0021525300000000, 0.0004856700000000 ] - [ -0.0037782000000000, 0.0029997900000000, 0.0171463500000000 ] - [ 0.0002515600000000, -0.0002417200000000, 0.0005089700000000 ] - [ 0.0000000000000000, 0.0002889100000000, -0.0009859200000000 ] - [ 0.0000000000000000, -0.0004107200000000, -0.0015048700000000 ] - [ 0.0005258600000000, -0.0003389500000000, -0.0025021700000000 ] - [ 0.0006596200000000, -0.0007927900000000, -0.0004686100000000 ] - [ 0.0000000000000000, 0.0003827700000000, 0.0092357200000000 ] - [ 0.0000000000000000, 0.0011806700000000, 0.0036211800000000 ] - [ -0.0002433700000000, -0.0010506500000000, -0.0019619100000000 ] - [ 0.0002955800000000, 0.0003198300000000, -0.0012636200000000 ] - [ -0.0008249000000000, -0.0022801800000000, -0.0048321200000000 ] - [ -0.0004397100000000, 0.0007640800000000, -0.0009105500000000 ] - [ 0.0002433700000000, -0.0010506500000000, -0.0019619100000000 ] - [ -0.0002955800000000, 0.0003198300000000, -0.0012636200000000 ] - [ 0.0008249000000000, -0.0022801800000000, -0.0048321200000000 ] - [ 0.0004397100000000, 0.0007640800000000, -0.0009105500000000 ] - [ -0.0119699200000000, 0.0050471000000000, 0.0158656500000000 ] - [ -0.0001094800000000, 0.0013856600000000, 0.0003073200000000 ] - [ 0.0000000000000000, -0.0003341800000000, -0.0021072600000000 ] - [ 0.0000000000000000, -0.0000454800000000, -0.0031998200000000 ] - [ 0.0000000000000000, 0.0030187900000000, -0.0030132800000000 ] - [ 0.0000000000000000, -0.0010884100000000, -0.0002201600000000 ] - [ 0.0119699200000000, 0.0050471000000000, 0.0158656500000000 ] - [ 0.0001094800000000, 0.0013856600000000, 0.0003073200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0054450700000000, 0.1003728000000000 ] - [ 0.0000000000000000, 0.0001923200000000, 0.0016023600000000 ] - [ 0.0000000000000000, 0.0005848000000000, -0.0035491600000000 ] - [ 0.0000000000000000, 0.0001302900000000, -0.0010459000000000 ] - [ 0.0000000000000000, 0.0005460200000000, -0.0089255400000000 ] - [ 0.0000000000000000, 0.0001067100000000, -0.0003451100000000 ] - [ 0.0000000000000000, 0.0041352800000000, 0.0003500600000000 ] - [ 0.0000000000000000, -0.0005144200000000, 0.0006196600000000 ] - [ 0.0000000000000000, 0.0036896400000000, -0.0046017300000000 ] - [ 0.0000000000000000, -0.0039029700000000, -0.0068285400000000 ] - [ 0.0000000000000000, 0.0043371100000000, 0.0108365900000000 ] - [ 0.0000000000000000, -0.0040582300000000, 0.0045792200000000 ] - [ 0.0009244900000000, 0.0006706800000000, -0.0013834900000000 ] - [ 0.0011996300000000, 0.0000930500000000, -0.0005920200000000 ] - [ -0.0015510000000000, -0.0007256300000000, -0.0012186200000000 ] - [ -0.0005333900000000, -0.0000231200000000, -0.0007344400000000 ] - [ -0.0047538200000000, -0.0039840700000000, 0.0066394300000000 ] - [ -0.0007134500000000, -0.0003154400000000, 0.0003845900000000 ] - [ 0.0054191900000000, 0.0034301100000000, -0.0024996000000000 ] - [ 0.0004430100000000, -0.0007029600000000, -0.0001384400000000 ] - [ -0.0032470400000000, -0.0022403000000000, -0.0066135300000000 ] - [ 0.0001620100000000, 0.0005705200000000, 0.0005837900000000 ] - [ 0.0032470400000000, -0.0022403000000000, -0.0066135300000000 ] - [ -0.0001620100000000, 0.0005705200000000, 0.0005837900000000 ] - [ 0.0002516100000000, -0.0008005500000000, -0.0003194800000000 ] - [ 0.0004982600000000, 0.0002352700000000, -0.0006596700000000 ] - [ -0.0012032600000000, -0.0074360800000000, -0.0006243000000000 ] - [ 0.0002398000000000, 0.0006632200000000, 0.0002538700000000 ] - [ 0.0000000000000000, 0.0006032700000000, -0.0014436900000000 ] - [ 0.0000000000000000, 0.0005006800000000, -0.0001918400000000 ] - [ -0.0008134200000000, -0.0008292700000000, -0.0010917100000000 ] - [ -0.0003614200000000, -0.0002289700000000, -0.0006454900000000 ] - [ -0.0002516100000000, -0.0008005500000000, -0.0003194800000000 ] - [ -0.0004982600000000, 0.0002352700000000, -0.0006596700000000 ] - [ 0.0010545400000000, -0.0008205500000000, 0.0006547200000000 ] - [ -0.0033035100000000, 0.0036891900000000, -0.0019699400000000 ] - [ -0.0009244900000000, 0.0006706800000000, -0.0013834900000000 ] - [ -0.0011996300000000, 0.0000930500000000, -0.0005920200000000 ] - [ 0.0047538200000000, -0.0039840700000000, 0.0066394300000000 ] - [ 0.0007134500000000, -0.0003154400000000, 0.0003845900000000 ] - [ 0.0000000000000000, 0.0014477700000000, -0.0007111600000000 ] - [ 0.0000000000000000, 0.0007088400000000, 0.0000184500000000 ] - [ 0.0015510000000000, -0.0007256300000000, -0.0012186200000000 ] - [ 0.0005333900000000, -0.0000231200000000, -0.0007344400000000 ] - [ 0.0008134200000000, -0.0008292700000000, -0.0010917100000000 ] - [ 0.0003614200000000, -0.0002289700000000, -0.0006454900000000 ] - [ 0.0000000000000000, 0.0005659400000000, 0.0064055500000000 ] - [ 0.0000000000000000, 0.0020733200000000, 0.0046585100000000 ] - [ -0.0000683400000000, 0.0008331100000000, -0.0012156300000000 ] - [ 0.0000748000000000, 0.0006790200000000, -0.0001266900000000 ] - [ 0.0012032600000000, -0.0074360800000000, -0.0006243000000000 ] - [ -0.0002398000000000, 0.0006632200000000, 0.0002538700000000 ] - [ -0.0054191900000000, 0.0034301100000000, -0.0024996000000000 ] - [ -0.0004430100000000, -0.0007029600000000, -0.0001384400000000 ] - [ 0.0000000000000000, 0.0045480300000000, -0.0030441600000000 ] - [ 0.0000000000000000, -0.0015353200000000, 0.0013972500000000 ] - [ -0.0010545400000000, -0.0008205500000000, 0.0006547200000000 ] - [ 0.0033035100000000, 0.0036891900000000, -0.0019699400000000 ] - [ 0.0000683400000000, 0.0008331100000000, -0.0012156300000000 ] - [ -0.0000748000000000, 0.0006790200000000, -0.0001266900000000 ] - [ -0.0044220700000000, -0.0039174800000000, -0.0177938300000000 ] - [ 0.0001560600000000, -0.0004534700000000, -0.0007541700000000 ] - [ -0.0000563000000000, -0.0010595100000000, 0.0024098600000000 ] - [ 0.0000734000000000, -0.0006006700000000, 0.0003771200000000 ] - [ 0.0000000000000000, -0.0006791800000000, 0.0021974600000000 ] - [ 0.0000000000000000, -0.0003666900000000, 0.0004673100000000 ] - [ -0.0018526800000000, 0.0050737600000000, -0.0007854100000000 ] - [ -0.0024766100000000, -0.0021137500000000, -0.0012841300000000 ] - [ 0.0018526800000000, 0.0050737600000000, -0.0007854100000000 ] - [ 0.0024766100000000, -0.0021137500000000, -0.0012841300000000 ] - [ 0.0000000000000000, 0.0058058900000000, -0.0161915100000000 ] - [ 0.0000000000000000, -0.0012950900000000, -0.0034392900000000 ] - [ 0.0000000000000000, 0.0045562200000000, -0.0088614600000000 ] - [ 0.0000000000000000, -0.0001621100000000, -0.0027086100000000 ] - [ 0.0000000000000000, -0.0077184400000000, 0.0003967300000000 ] - [ 0.0000000000000000, 0.0011151100000000, -0.0001477000000000 ] - [ 0.0044220700000000, -0.0039174800000000, -0.0177938300000000 ] - [ -0.0001560600000000, -0.0004534700000000, -0.0007541700000000 ] - [ 0.0000000000000000, -0.0002865300000000, 0.0013933800000000 ] - [ 0.0000000000000000, 0.0004194800000000, 0.0019151400000000 ] - [ 0.0000563000000000, -0.0010595100000000, 0.0024098600000000 ] - [ -0.0000734000000000, -0.0006006700000000, 0.0003771200000000 ] - [ 0.0000000000000000, -0.0005200300000000, -0.0087617300000000 ] - [ 0.0000000000000000, -0.0011845900000000, -0.0032038300000000 ] - [ 0.0001440300000000, 0.0017381800000000, 0.0017223700000000 ] - [ -0.0003917900000000, 0.0003758600000000, 0.0010274800000000 ] - [ -0.0005919400000000, 0.0022642400000000, 0.0042725000000000 ] - [ -0.0009676800000000, -0.0007906900000000, 0.0003499600000000 ] - [ -0.0001440300000000, 0.0017381800000000, 0.0017223700000000 ] - [ 0.0003917900000000, 0.0003758600000000, 0.0010274800000000 ] - [ 0.0005919400000000, 0.0022642400000000, 0.0042725000000000 ] - [ 0.0009676800000000, -0.0007906900000000, 0.0003499600000000 ] - [ 0.0118123600000000, -0.0033619500000000, -0.0153679000000000 ] - [ 0.0006969400000000, 0.0000050600000000, -0.0003953600000000 ] - [ 0.0000000000000000, 0.0005101600000000, 0.0034472400000000 ] - [ 0.0000000000000000, 0.0002347100000000, 0.0045374700000000 ] - [ 0.0000000000000000, -0.0019982900000000, 0.0033331600000000 ] - [ 0.0000000000000000, 0.0021316700000000, 0.0005489300000000 ] - [ -0.0118123600000000, -0.0033619500000000, -0.0153679000000000 ] - [ -0.0006969400000000, 0.0000050600000000, -0.0003953600000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0040658100000000, -0.0004590800000000, 0.0003484900000000 ] - [ -0.0000484800000000, -0.0004494900000000, 0.0003385800000000 ] - [ 0.0073973700000000, 0.0004768000000000, 0.0003673700000000 ] - [ 0.0002055800000000, 0.0004533500000000, 0.0003374400000000 ] - [ -0.0116155900000000, -0.0001776100000000, 0.0003268600000000 ] - [ -0.0002223700000000, -0.0000249500000000, 0.0002573900000000 ] - [ 0.0007391200000000, 0.0000281900000000, 0.0002593200000000 ] - [ 0.0000220000000000, 0.0000304300000000, 0.0002566200000000 ] - [ -0.0001398900000000, 0.0006543800000000, -0.0005524600000000 ] - [ -0.0014119200000000, 0.0006488900000000, -0.0006016100000000 ] - [ 0.0017781100000000, -0.0006866400000000, -0.0005693800000000 ] - [ 0.0047569700000000, -0.0006463600000000, -0.0005620000000000 ] - [ 0.0000798100000000, 0.0009541100000000, 0.0002237800000000 ] - [ 0.0007091600000000, 0.0005134900000000, -0.0003248100000000 ] - [ -0.0000834900000000, 0.0000286100000000, -0.0004195500000000 ] - [ -0.0001532600000000, -0.0002561300000000, -0.0005709400000000 ] - [ 0.0000793200000000, 0.0000948300000000, -0.0000117600000000 ] - [ -0.0001151800000000, -0.0001212100000000, -0.0000494300000000 ] - [ 0.0054231600000000, 0.0014372600000000, 0.0013870900000000 ] - [ 0.0008505500000000, -0.0005031000000000, -0.0003717000000000 ] - [ 0.0001783000000000, 0.0002545600000000, 0.0004136600000000 ] - [ 0.0002753600000000, 0.0002657300000000, 0.0003789300000000 ] - [ -0.0003621800000000, 0.0002633800000000, 0.0003080100000000 ] - [ -0.0002643800000000, 0.0002564000000000, 0.0003501000000000 ] - [ 0.0018280100000000, 0.0022648000000000, -0.0026092200000000 ] - [ 0.0003513600000000, -0.0005399700000000, 0.0003516400000000 ] - [ 0.0011896700000000, 0.0025933200000000, -0.0009469500000000 ] - [ 0.0000607500000000, -0.0005863300000000, -0.0000028600000000 ] - [ 0.0039094400000000, 0.0006627100000000, 0.0004479900000000 ] - [ 0.0001237900000000, 0.0006753600000000, 0.0004666900000000 ] - [ -0.0030444600000000, -0.0027599600000000, -0.0022151500000000 ] - [ -0.0000654300000000, 0.0004259200000000, -0.0003383500000000 ] - [ 0.0012800700000000, -0.0027596400000000, 0.0033183000000000 ] - [ -0.0001852600000000, 0.0000177400000000, 0.0003794200000000 ] - [ -0.0010358100000000, 0.0004964600000000, -0.0007081700000000 ] - [ -0.0006448000000000, -0.0002945300000000, -0.0008037700000000 ] - [ -0.0013970500000000, 0.0000636200000000, -0.0008991400000000 ] - [ -0.0007666200000000, 0.0005090800000000, -0.0003481000000000 ] - [ 0.0004389800000000, -0.0004034700000000, -0.0001120000000000 ] - [ 0.0002458700000000, -0.0001869800000000, -0.0000744200000000 ] - [ 0.0004674700000000, 0.0003880500000000, 0.0005920800000000 ] - [ 0.0002297700000000, 0.0004105200000000, 0.0005762500000000 ] - [ 0.0005399000000000, -0.0002837600000000, -0.0003670700000000 ] - [ 0.0004781900000000, 0.0000020500000000, -0.0002201100000000 ] - [ -0.0034378400000000, 0.0030762600000000, 0.0021063300000000 ] - [ -0.0004492700000000, -0.0001024100000000, 0.0002245300000000 ] - [ -0.0002245900000000, -0.0004082900000000, 0.0005772400000000 ] - [ -0.0000128200000000, -0.0004045900000000, 0.0005801700000000 ] - [ 0.0001575000000000, 0.0009503700000000, -0.0005940100000000 ] - [ 0.0001377500000000, 0.0004430600000000, 0.0000102700000000 ] - [ 0.0009064600000000, -0.0034481200000000, 0.0009681000000000 ] - [ -0.0002219300000000, -0.0002650800000000, 0.0000406900000000 ] - [ 0.0039392500000000, -0.0024450000000000, -0.0021036100000000 ] - [ -0.0006346600000000, -0.0005111100000000, -0.0003026600000000 ] - [ 0.0000946500000000, -0.0006746400000000, 0.0004666200000000 ] - [ -0.0000151000000000, -0.0006741600000000, 0.0004626400000000 ] - [ -0.0003972900000000, -0.0002397400000000, -0.0000857300000000 ] - [ 0.0000058100000000, 0.0005616700000000, 0.0000135400000000 ] - [ -0.0001352700000000, -0.0001107800000000, 0.0006369900000000 ] - [ -0.0001440000000000, 0.0004150400000000, 0.0000272300000000 ] - [ -0.0000781700000000, -0.0005519400000000, -0.0006061700000000 ] - [ -0.0001020000000000, -0.0003951100000000, -0.0001250400000000 ] - [ -0.0007233300000000, -0.0006336100000000, 0.0016148100000000 ] - [ -0.0002825100000000, -0.0007131600000000, -0.0000103300000000 ] - [ -0.0059380700000000, -0.0002798300000000, -0.0004311400000000 ] - [ -0.0001914200000000, -0.0003030100000000, -0.0004197400000000 ] - [ -0.0025416300000000, 0.0024963600000000, -0.0020605700000000 ] - [ -0.0012973000000000, -0.0001497300000000, -0.0007219600000000 ] - [ -0.0011386200000000, -0.0024839500000000, 0.0015215900000000 ] - [ 0.0001207400000000, 0.0001800800000000, 0.0001655600000000 ] - [ 0.0005164400000000, 0.0003011100000000, -0.0004208000000000 ] - [ 0.0000216800000000, 0.0002965200000000, -0.0004195100000000 ] - [ -0.0003915000000000, -0.0000869400000000, 0.0006777200000000 ] - [ -0.0008169400000000, -0.0000930400000000, 0.0006755900000000 ] - [ -0.0045787700000000, -0.0004992900000000, 0.0001926400000000 ] - [ -0.0008413800000000, -0.0005198800000000, 0.0001678600000000 ] - [ 0.0000206900000000, -0.0001393900000000, 0.0003677400000000 ] - [ -0.0000059300000000, -0.0003032000000000, -0.0001158600000000 ] - [ -0.0010894600000000, 0.0000015500000000, 0.0002048700000000 ] - [ -0.0003387000000000, 0.0000133500000000, 0.0001973500000000 ] - [ -0.0001235500000000, -0.0007553300000000, -0.0017168800000000 ] - [ 0.0003084400000000, -0.0006866700000000, -0.0000775400000000 ] - [ 0.0009562900000000, -0.0000151400000000, 0.0001992500000000 ] - [ 0.0008154100000000, -0.0000051400000000, 0.0002064700000000 ] - [ 0.0014688500000000, -0.0003265700000000, -0.0006029600000000 ] - [ 0.0000724000000000, 0.0005844800000000, -0.0002740600000000 ] - [ -0.0002959800000000, 0.0005565600000000, -0.0003946300000000 ] - [ -0.0006514100000000, 0.0000793700000000, -0.0001477000000000 ] - [ 0.0014518900000000, 0.0011141800000000, 0.0003815300000000 ] - [ 0.0001542300000000, 0.0001028500000000, 0.0000263100000000 ] - [ 0.0010900900000000, -0.0005666700000000, -0.0001480200000000 ] - [ 0.0007528400000000, -0.0001053000000000, -0.0004110500000000 ] - [ 0.0008021100000000, 0.0005673300000000, -0.0010616500000000 ] - [ 0.0002843100000000, 0.0005647700000000, -0.0000209100000000 ] - [ 0.0030615500000000, 0.0000855100000000, 0.0006654500000000 ] - [ 0.0011998100000000, 0.0000727500000000, 0.0006996200000000 ] - [ 0.0006153100000000, 0.0005163500000000, 0.0001666000000000 ] - [ 0.0001569900000000, 0.0005100400000000, 0.0001788200000000 ] - [ 0.0002720300000000, 0.0008500200000000, 0.0009084900000000 ] - [ -0.0003002000000000, 0.0008264400000000, -0.0000671100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0034352000000000, -0.0002056000000000 ] - [ 0.0000000000000000, 0.0012637300000000, 0.0002038200000000 ] - [ 0.0000000000000000, -0.0039015300000000, 0.0044460900000000 ] - [ 0.0000000000000000, 0.0024943900000000, -0.0002009900000000 ] - [ 0.0000000000000000, -0.0206072300000000, 0.0032643400000000 ] - [ 0.0000000000000000, 0.0023568200000000, 0.0000973000000000 ] - [ 0.0000000000000000, -0.0009278900000000, 0.0001250700000000 ] - [ 0.0000000000000000, 0.0009517500000000, 0.0001498900000000 ] - [ 0.0000000000000000, 0.0014535900000000, 0.0043353900000000 ] - [ 0.0000000000000000, 0.0009955400000000, -0.0107466400000000 ] - [ 0.0000000000000000, -0.0025304000000000, 0.0011079100000000 ] - [ 0.0000000000000000, 0.0029960200000000, -0.0023309500000000 ] - [ 0.0012627400000000, -0.0000826800000000, -0.0000680500000000 ] - [ -0.0001298800000000, 0.0013489100000000, -0.0002307300000000 ] - [ -0.0000111400000000, -0.0000775900000000, -0.0005820300000000 ] - [ 0.0000694900000000, 0.0001307200000000, -0.0001139800000000 ] - [ -0.0004038400000000, -0.0005436000000000, 0.0001246200000000 ] - [ 0.0002949800000000, 0.0003423200000000, -0.0004202800000000 ] - [ -0.0005572200000000, -0.0028029600000000, 0.0010284900000000 ] - [ 0.0015689400000000, 0.0003092200000000, -0.0005974100000000 ] - [ 0.0004295000000000, -0.0002888000000000, -0.0008278300000000 ] - [ 0.0002061000000000, 0.0005924000000000, 0.0009491100000000 ] - [ -0.0004295000000000, -0.0002888000000000, -0.0008278300000000 ] - [ -0.0002061000000000, 0.0005924000000000, 0.0009491100000000 ] - [ 0.0020854700000000, 0.0022830800000000, -0.0027937000000000 ] - [ 0.0000672300000000, 0.0002113800000000, 0.0006984600000000 ] - [ 0.0012091000000000, -0.0011232700000000, -0.0021455800000000 ] - [ 0.0004396900000000, 0.0008784200000000, 0.0002281600000000 ] - [ 0.0000000000000000, -0.0000740900000000, 0.0010338800000000 ] - [ 0.0000000000000000, 0.0011220800000000, 0.0007875000000000 ] - [ 0.0004260500000000, 0.0043673800000000, 0.0025262000000000 ] - [ 0.0021791400000000, 0.0023993500000000, 0.0008401000000000 ] - [ -0.0020854700000000, 0.0022830800000000, -0.0027937000000000 ] - [ -0.0000672300000000, 0.0002113800000000, 0.0006984600000000 ] - [ -0.0008528400000000, 0.0007598400000000, -0.0009330600000000 ] - [ -0.0009616500000000, 0.0008862000000000, 0.0003562900000000 ] - [ -0.0012627400000000, -0.0000826800000000, -0.0000680500000000 ] - [ 0.0001298800000000, 0.0013489100000000, -0.0002307300000000 ] - [ 0.0004038400000000, -0.0005436000000000, 0.0001246200000000 ] - [ -0.0002949800000000, 0.0003423200000000, -0.0004202800000000 ] - [ 0.0000000000000000, 0.0004396400000000, 0.0004930500000000 ] - [ 0.0000000000000000, 0.0012902600000000, 0.0003565200000000 ] - [ 0.0000111400000000, -0.0000775900000000, -0.0005820300000000 ] - [ -0.0000694900000000, 0.0001307200000000, -0.0001139800000000 ] - [ -0.0004260500000000, 0.0043673800000000, 0.0025262000000000 ] - [ -0.0021791400000000, 0.0023993500000000, 0.0008401000000000 ] - [ 0.0000000000000000, -0.0005265300000000, 0.0001533600000000 ] - [ 0.0000000000000000, 0.0003428400000000, 0.0012352200000000 ] - [ 0.0007333400000000, -0.0016808400000000, -0.0001126900000000 ] - [ -0.0001627500000000, 0.0018035200000000, -0.0001118400000000 ] - [ -0.0012091000000000, -0.0011232700000000, -0.0021455800000000 ] - [ -0.0004396900000000, 0.0008784200000000, 0.0002281600000000 ] - [ 0.0005572200000000, -0.0028029600000000, 0.0010284900000000 ] - [ -0.0015689400000000, 0.0003092200000000, -0.0005974100000000 ] - [ 0.0000000000000000, -0.0008297800000000, 0.0007329100000000 ] - [ 0.0000000000000000, -0.0005181400000000, -0.0003731900000000 ] - [ 0.0008528400000000, 0.0007598400000000, -0.0009330600000000 ] - [ 0.0009616500000000, 0.0008862000000000, 0.0003562900000000 ] - [ -0.0007333400000000, -0.0016808400000000, -0.0001126900000000 ] - [ 0.0001627500000000, 0.0018035200000000, -0.0001118400000000 ] - [ -0.0002514100000000, 0.0007984700000000, 0.0005715000000000 ] - [ -0.0001076800000000, -0.0013172900000000, -0.0001876300000000 ] - [ -0.0002905700000000, 0.0015447700000000, -0.0007102300000000 ] - [ -0.0006203600000000, -0.0022525100000000, 0.0000571400000000 ] - [ 0.0000000000000000, 0.0025873800000000, -0.0004983700000000 ] - [ 0.0000000000000000, -0.0017326200000000, -0.0005008400000000 ] - [ -0.0000173200000000, -0.0013461600000000, 0.0020929700000000 ] - [ -0.0015344700000000, -0.0006266100000000, -0.0012656900000000 ] - [ 0.0000173200000000, -0.0013461600000000, 0.0020929700000000 ] - [ 0.0015344700000000, -0.0006266100000000, -0.0012656900000000 ] - [ 0.0000000000000000, 0.0008036600000000, -0.0001745700000000 ] - [ 0.0000000000000000, -0.0007104100000000, -0.0001956600000000 ] - [ 0.0000000000000000, 0.0004627700000000, -0.0002601800000000 ] - [ 0.0000000000000000, -0.0010479600000000, 0.0022497800000000 ] - [ 0.0000000000000000, 0.0018749700000000, -0.0012541800000000 ] - [ 0.0000000000000000, -0.0026419900000000, 0.0001522000000000 ] - [ 0.0002514100000000, 0.0007984700000000, 0.0005715000000000 ] - [ 0.0001076800000000, -0.0013172900000000, -0.0001876300000000 ] - [ 0.0000000000000000, -0.0009034100000000, -0.0008529500000000 ] - [ 0.0000000000000000, -0.0002042600000000, 0.0004185900000000 ] - [ 0.0002905700000000, 0.0015447700000000, -0.0007102300000000 ] - [ 0.0006203600000000, -0.0022525100000000, 0.0000571400000000 ] - [ 0.0000000000000000, -0.0005478100000000, -0.0016673100000000 ] - [ 0.0000000000000000, -0.0009712100000000, 0.0009284700000000 ] - [ 0.0009810900000000, 0.0029039500000000, -0.0006659500000000 ] - [ 0.0007516400000000, -0.0017275200000000, -0.0009056800000000 ] - [ 0.0005468700000000, 0.0014513400000000, 0.0018870000000000 ] - [ -0.0012252100000000, -0.0012970500000000, -0.0014818600000000 ] - [ -0.0009810900000000, 0.0029039500000000, -0.0006659500000000 ] - [ -0.0007516400000000, -0.0017275200000000, -0.0009056800000000 ] - [ -0.0005468700000000, 0.0014513400000000, 0.0018870000000000 ] - [ 0.0012252100000000, -0.0012970500000000, -0.0014818600000000 ] - [ 0.0012872100000000, 0.0050384700000000, -0.0001118600000000 ] - [ 0.0000371000000000, -0.0008127100000000, 0.0000490300000000 ] - [ 0.0000000000000000, -0.0032163100000000, -0.0028142800000000 ] - [ 0.0000000000000000, -0.0001639400000000, 0.0039877900000000 ] - [ 0.0000000000000000, 0.0012204900000000, -0.0007638100000000 ] - [ 0.0000000000000000, -0.0013055200000000, 0.0022944700000000 ] - [ -0.0012872100000000, 0.0050384700000000, -0.0001118600000000 ] - [ -0.0000371000000000, -0.0008127100000000, 0.0000490300000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0025573700000000, 0.0009445500000000 ] - [ 0.0000000000000000, -0.0021738300000000, 0.0004765300000000 ] - [ 0.0000000000000000, 0.0047921400000000, -0.0037677800000000 ] - [ 0.0000000000000000, -0.0015961400000000, 0.0008872900000000 ] - [ 0.0000000000000000, 0.0202118500000000, -0.0028682200000000 ] - [ 0.0000000000000000, -0.0024217300000000, 0.0004112200000000 ] - [ 0.0000000000000000, 0.0009872800000000, 0.0004002400000000 ] - [ 0.0000000000000000, -0.0008917100000000, 0.0003699600000000 ] - [ 0.0000000000000000, -0.0001570100000000, -0.0054240200000000 ] - [ 0.0000000000000000, 0.0003186100000000, 0.0097440800000000 ] - [ 0.0000000000000000, 0.0012908500000000, -0.0022180600000000 ] - [ 0.0000000000000000, -0.0043209300000000, 0.0012201500000000 ] - [ 0.0002229700000000, 0.0010962200000000, -0.0006068500000000 ] - [ 0.0016177400000000, -0.0003360500000000, -0.0004422300000000 ] - [ -0.0006246400000000, -0.0001764200000000, -0.0002089800000000 ] - [ -0.0007037300000000, -0.0003870000000000, -0.0006774400000000 ] - [ 0.0000424000000000, 0.0002381900000000, -0.0002447900000000 ] - [ -0.0006600800000000, -0.0006543400000000, 0.0002998700000000 ] - [ 0.0020775000000000, 0.0018101400000000, -0.0016957600000000 ] - [ -0.0000886600000000, -0.0013283600000000, -0.0000759000000000 ] - [ 0.0001078800000000, 0.0008165100000000, 0.0015737500000000 ] - [ 0.0003334800000000, -0.0000703900000000, -0.0002170700000000 ] - [ -0.0001078800000000, 0.0008165100000000, 0.0015737500000000 ] - [ -0.0003334800000000, -0.0000703900000000, -0.0002170700000000 ] - [ -0.0015206500000000, -0.0027867300000000, 0.0035109000000000 ] - [ 0.0004772000000000, -0.0007313000000000, 0.0000153100000000 ] - [ -0.0009310900000000, 0.0002231500000000, 0.0021701000000000 ] - [ -0.0001567300000000, -0.0017302200000000, -0.0001904100000000 ] - [ 0.0000000000000000, 0.0014312500000000, -0.0001099400000000 ] - [ 0.0000000000000000, 0.0002255200000000, 0.0001401600000000 ] - [ -0.0000990000000000, -0.0040245800000000, -0.0026325200000000 ] - [ -0.0018404800000000, -0.0021152600000000, -0.0009707000000000 ] - [ 0.0015206500000000, -0.0027867300000000, 0.0035109000000000 ] - [ -0.0004772000000000, -0.0007313000000000, 0.0000153100000000 ] - [ 0.0002240200000000, -0.0005074100000000, 0.0001399500000000 ] - [ 0.0003281400000000, -0.0006275900000000, -0.0011565900000000 ] - [ -0.0002229700000000, 0.0010962200000000, -0.0006068500000000 ] - [ -0.0016177400000000, -0.0003360500000000, -0.0004422300000000 ] - [ -0.0000424000000000, 0.0002381900000000, -0.0002447900000000 ] - [ 0.0006600800000000, -0.0006543400000000, 0.0002998700000000 ] - [ 0.0000000000000000, 0.0003912000000000, 0.0006551900000000 ] - [ 0.0000000000000000, -0.0004751800000000, 0.0007989000000000 ] - [ 0.0006246400000000, -0.0001764200000000, -0.0002089800000000 ] - [ 0.0007037300000000, -0.0003870000000000, -0.0006774400000000 ] - [ 0.0000990000000000, -0.0040245800000000, -0.0026325200000000 ] - [ 0.0018404800000000, -0.0021152600000000, -0.0009707000000000 ] - [ 0.0000000000000000, -0.0002966900000000, 0.0010005200000000 ] - [ 0.0000000000000000, -0.0011551000000000, -0.0000775600000000 ] - [ -0.0004532600000000, 0.0025483800000000, 0.0001459500000000 ] - [ 0.0004464300000000, -0.0009542300000000, 0.0001509700000000 ] - [ 0.0009310900000000, 0.0002231500000000, 0.0021701000000000 ] - [ 0.0001567300000000, -0.0017302200000000, -0.0001904100000000 ] - [ -0.0020775000000000, 0.0018101400000000, -0.0016957600000000 ] - [ 0.0000886600000000, -0.0013283600000000, -0.0000759000000000 ] - [ 0.0000000000000000, -0.0005195400000000, 0.0002112300000000 ] - [ 0.0000000000000000, -0.0008322800000000, 0.0013165400000000 ] - [ -0.0002240200000000, -0.0005074100000000, 0.0001399500000000 ] - [ -0.0003281400000000, -0.0006275900000000, -0.0011565900000000 ] - [ 0.0004532600000000, 0.0025483800000000, 0.0001459500000000 ] - [ -0.0004464300000000, -0.0009542300000000, 0.0001509700000000 ] - [ 0.0001564300000000, -0.0015057400000000, -0.0008326900000000 ] - [ 0.0000136500000000, 0.0006223000000000, -0.0000580000000000 ] - [ -0.0002921400000000, -0.0029430500000000, 0.0006264800000000 ] - [ 0.0000381500000000, 0.0008635700000000, -0.0001486500000000 ] - [ 0.0000000000000000, -0.0032016200000000, -0.0003250600000000 ] - [ 0.0000000000000000, 0.0011363400000000, -0.0003372800000000 ] - [ -0.0013875500000000, 0.0013895400000000, -0.0026369800000000 ] - [ 0.0001437800000000, 0.0006312500000000, 0.0007253000000000 ] - [ 0.0013875500000000, 0.0013895400000000, -0.0026369800000000 ] - [ -0.0001437800000000, 0.0006312500000000, 0.0007253000000000 ] - [ 0.0000000000000000, -0.0001927700000000, -0.0006821600000000 ] - [ 0.0000000000000000, 0.0013113200000000, -0.0006532600000000 ] - [ 0.0000000000000000, -0.0006570300000000, 0.0015991000000000 ] - [ 0.0000000000000000, 0.0008737900000000, -0.0009098700000000 ] - [ 0.0000000000000000, -0.0029558100000000, 0.0015928600000000 ] - [ 0.0000000000000000, 0.0016234800000000, 0.0001886400000000 ] - [ -0.0001564300000000, -0.0015057400000000, -0.0008326900000000 ] - [ -0.0000136500000000, 0.0006223000000000, -0.0000580000000000 ] - [ 0.0000000000000000, 0.0009116200000000, 0.0012607500000000 ] - [ 0.0000000000000000, 0.0002015500000000, -0.0000093500000000 ] - [ 0.0002921400000000, -0.0029430500000000, 0.0006264800000000 ] - [ -0.0000381500000000, 0.0008635700000000, -0.0001486500000000 ] - [ 0.0000000000000000, 0.0005211500000000, 0.0020786600000000 ] - [ 0.0000000000000000, 0.0009752600000000, -0.0005212700000000 ] - [ -0.0009376800000000, -0.0020473800000000, 0.0004654100000000 ] - [ -0.0008601600000000, 0.0024382300000000, 0.0006772400000000 ] - [ -0.0019639800000000, -0.0014877300000000, -0.0024654200000000 ] - [ -0.0001800800000000, 0.0012805300000000, 0.0009223800000000 ] - [ 0.0009376800000000, -0.0020473800000000, 0.0004654100000000 ] - [ 0.0008601600000000, 0.0024382300000000, 0.0006772400000000 ] - [ 0.0019639800000000, -0.0014877300000000, -0.0024654200000000 ] - [ 0.0001800800000000, 0.0012805300000000, 0.0009223800000000 ] - [ -0.0007445200000000, -0.0036267700000000, -0.0000342200000000 ] - [ 0.0005507600000000, 0.0022092400000000, -0.0001351900000000 ] - [ 0.0000000000000000, 0.0033913400000000, 0.0041373500000000 ] - [ 0.0000000000000000, 0.0002725800000000, -0.0026290100000000 ] - [ 0.0000000000000000, -0.0001777500000000, 0.0010899900000000 ] - [ 0.0000000000000000, 0.0023471900000000, -0.0019774900000000 ] - [ 0.0007445200000000, -0.0036267700000000, -0.0000342200000000 ] - [ -0.0005507600000000, 0.0022092400000000, -0.0001351900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0010268100000000, 0.0094997600000000 ] - [ 0.0000000000000000, -0.0007618900000000, 0.0009395200000000 ] - [ 0.0000000000000000, 0.0023925000000000, 0.0002255000000000 ] - [ 0.0000000000000000, -0.0003740400000000, -0.0000241600000000 ] - [ 0.0000000000000000, 0.0029923100000000, -0.0177270800000000 ] - [ 0.0000000000000000, -0.0001875300000000, -0.0007850800000000 ] - [ 0.0000000000000000, 0.0001697400000000, 0.0030272800000000 ] - [ 0.0000000000000000, 0.0001384600000000, 0.0012287400000000 ] - [ 0.0000000000000000, 0.0022370700000000, 0.0006964000000000 ] - [ 0.0000000000000000, -0.0022621000000000, 0.0065768200000000 ] - [ 0.0000000000000000, 0.0033075200000000, 0.0013239900000000 ] - [ 0.0000000000000000, -0.0030981000000000, 0.0007606000000000 ] - [ 0.0002537000000000, 0.0014332500000000, 0.0008334800000000 ] - [ 0.0012457000000000, 0.0000449600000000, -0.0003521000000000 ] - [ -0.0006898300000000, -0.0003966500000000, -0.0002497500000000 ] - [ -0.0002185000000000, 0.0000020200000000, -0.0002566900000000 ] - [ -0.0003689800000000, -0.0002218800000000, 0.0005902900000000 ] - [ -0.0005464000000000, -0.0005397100000000, 0.0002846100000000 ] - [ 0.0052904300000000, 0.0021278600000000, -0.0007620200000000 ] - [ 0.0005100600000000, -0.0007028800000000, -0.0003089200000000 ] - [ -0.0000743600000000, 0.0008974900000000, 0.0028105800000000 ] - [ 0.0001752000000000, 0.0004646900000000, 0.0011783500000000 ] - [ 0.0000743600000000, 0.0008974900000000, 0.0028105800000000 ] - [ -0.0001752000000000, 0.0004646900000000, 0.0011783500000000 ] - [ -0.0003155300000000, -0.0008087000000000, -0.0031951200000000 ] - [ 0.0004689800000000, 0.0002725700000000, -0.0014672800000000 ] - [ -0.0019154600000000, -0.0057120700000000, 0.0002940400000000 ] - [ 0.0003079200000000, 0.0003327200000000, 0.0000826500000000 ] - [ 0.0000000000000000, 0.0002005300000000, -0.0039066500000000 ] - [ 0.0000000000000000, 0.0005271000000000, -0.0005186500000000 ] - [ -0.0005158700000000, 0.0016835300000000, -0.0001372900000000 ] - [ -0.0015864300000000, -0.0014780300000000, -0.0013679800000000 ] - [ 0.0003155300000000, -0.0008087000000000, -0.0031951200000000 ] - [ -0.0004689800000000, 0.0002725700000000, -0.0014672800000000 ] - [ -0.0001313900000000, -0.0004614800000000, -0.0002519600000000 ] - [ -0.0015499200000000, 0.0015399600000000, -0.0006362000000000 ] - [ -0.0002537000000000, 0.0014332500000000, 0.0008334800000000 ] - [ -0.0012457000000000, 0.0000449600000000, -0.0003521000000000 ] - [ 0.0003689800000000, -0.0002218800000000, 0.0005902900000000 ] - [ 0.0005464000000000, -0.0005397100000000, 0.0002846100000000 ] - [ 0.0000000000000000, -0.0001731200000000, 0.0008603700000000 ] - [ 0.0000000000000000, 0.0007525100000000, 0.0003499200000000 ] - [ 0.0006898300000000, -0.0003966500000000, -0.0002497500000000 ] - [ 0.0002185000000000, 0.0000020200000000, -0.0002566900000000 ] - [ 0.0005158700000000, 0.0016835300000000, -0.0001372900000000 ] - [ 0.0015864300000000, -0.0014780300000000, -0.0013679800000000 ] - [ 0.0000000000000000, -0.0008216500000000, 0.0009655000000000 ] - [ 0.0000000000000000, 0.0010778400000000, 0.0018582600000000 ] - [ -0.0003296500000000, 0.0001807700000000, 0.0012471500000000 ] - [ 0.0001202600000000, 0.0004578200000000, 0.0000283100000000 ] - [ 0.0019154600000000, -0.0057120700000000, 0.0002940400000000 ] - [ -0.0003079200000000, 0.0003327200000000, 0.0000826500000000 ] - [ -0.0052904300000000, 0.0021278600000000, -0.0007620200000000 ] - [ -0.0005100600000000, -0.0007028800000000, -0.0003089200000000 ] - [ 0.0000000000000000, -0.0008227400000000, 0.0026276400000000 ] - [ 0.0000000000000000, -0.0009634900000000, 0.0020737600000000 ] - [ 0.0001313900000000, -0.0004614800000000, -0.0002519600000000 ] - [ 0.0015499200000000, 0.0015399600000000, -0.0006362000000000 ] - [ 0.0003296500000000, 0.0001807700000000, 0.0012471500000000 ] - [ -0.0001202600000000, 0.0004578200000000, 0.0000283100000000 ] - [ -0.0001593000000000, -0.0007632600000000, -0.0030837900000000 ] - [ 0.0000943400000000, -0.0001658200000000, -0.0009666300000000 ] - [ 0.0006664000000000, -0.0017133600000000, -0.0027334600000000 ] - [ 0.0001094200000000, -0.0003689700000000, -0.0002546300000000 ] - [ 0.0000000000000000, 0.0002346300000000, 0.0020926100000000 ] - [ 0.0000000000000000, -0.0002807700000000, 0.0003400300000000 ] - [ -0.0017502600000000, 0.0027246300000000, 0.0011559400000000 ] - [ -0.0007529500000000, -0.0018306800000000, 0.0005715100000000 ] - [ 0.0017502600000000, 0.0027246300000000, 0.0011559400000000 ] - [ 0.0007529500000000, -0.0018306800000000, 0.0005715100000000 ] - [ 0.0000000000000000, 0.0011756500000000, -0.0031839200000000 ] - [ 0.0000000000000000, -0.0005072700000000, -0.0021916500000000 ] - [ 0.0000000000000000, -0.0006881000000000, -0.0004508300000000 ] - [ 0.0000000000000000, 0.0004157400000000, -0.0003832000000000 ] - [ 0.0000000000000000, -0.0045207300000000, 0.0024409900000000 ] - [ 0.0000000000000000, 0.0009421400000000, 0.0007263200000000 ] - [ 0.0001593000000000, -0.0007632600000000, -0.0030837900000000 ] - [ -0.0000943400000000, -0.0001658200000000, -0.0009666300000000 ] - [ 0.0000000000000000, -0.0005633800000000, 0.0000646300000000 ] - [ 0.0000000000000000, 0.0007319800000000, 0.0000697700000000 ] - [ -0.0006664000000000, -0.0017133600000000, -0.0027334600000000 ] - [ -0.0001094200000000, -0.0003689700000000, -0.0002546300000000 ] - [ 0.0000000000000000, -0.0033211900000000, -0.0013053400000000 ] - [ 0.0000000000000000, 0.0008792100000000, -0.0001041800000000 ] - [ 0.0001900900000000, 0.0000659000000000, 0.0037992400000000 ] - [ -0.0010267400000000, 0.0011775600000000, 0.0017954200000000 ] - [ -0.0013885500000000, 0.0001865200000000, -0.0028543500000000 ] - [ -0.0009811600000000, -0.0004946800000000, -0.0009554700000000 ] - [ -0.0001900900000000, 0.0000659000000000, 0.0037992400000000 ] - [ 0.0010267400000000, 0.0011775600000000, 0.0017954200000000 ] - [ 0.0013885500000000, 0.0001865200000000, -0.0028543500000000 ] - [ 0.0009811600000000, -0.0004946800000000, -0.0009554700000000 ] - [ -0.0012229300000000, 0.0005471100000000, 0.0029256500000000 ] - [ 0.0006438900000000, 0.0003657500000000, 0.0001274300000000 ] - [ 0.0000000000000000, -0.0013225900000000, 0.0001417900000000 ] - [ 0.0000000000000000, 0.0020427000000000, -0.0005940600000000 ] - [ 0.0000000000000000, -0.0005406000000000, -0.0016297700000000 ] - [ 0.0000000000000000, 0.0022710200000000, -0.0018675900000000 ] - [ 0.0012229300000000, 0.0005471100000000, 0.0029256500000000 ] - [ -0.0006438900000000, 0.0003657500000000, 0.0001274300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0019422900000000, -0.0089289900000000 ] - [ 0.0000000000000000, -0.0001434600000000, -0.0002598500000000 ] - [ 0.0000000000000000, -0.0014763700000000, 0.0003998000000000 ] - [ 0.0000000000000000, 0.0012786200000000, 0.0007005600000000 ] - [ 0.0000000000000000, -0.0031495500000000, 0.0187757100000000 ] - [ 0.0000000000000000, 0.0001252400000000, 0.0013057500000000 ] - [ 0.0000000000000000, -0.0001056000000000, -0.0025200900000000 ] - [ 0.0000000000000000, -0.0000821600000000, -0.0007194800000000 ] - [ 0.0000000000000000, -0.0009182000000000, -0.0018521300000000 ] - [ 0.0000000000000000, 0.0035260300000000, -0.0077131300000000 ] - [ 0.0000000000000000, -0.0046368400000000, -0.0024340800000000 ] - [ 0.0000000000000000, 0.0017980100000000, -0.0018694600000000 ] - [ 0.0012285700000000, -0.0004118300000000, -0.0015046100000000 ] - [ 0.0002392700000000, 0.0009702400000000, -0.0003233000000000 ] - [ 0.0000515800000000, 0.0001391100000000, -0.0005473400000000 ] - [ -0.0004173500000000, -0.0002580200000000, -0.0005383400000000 ] - [ 0.0000034200000000, -0.0000898900000000, -0.0007142800000000 ] - [ 0.0001853600000000, 0.0002326700000000, -0.0004087200000000 ] - [ -0.0038590400000000, -0.0031746400000000, 0.0001005700000000 ] - [ 0.0009739800000000, -0.0003133300000000, -0.0003644100000000 ] - [ 0.0006156700000000, -0.0003784200000000, -0.0020912500000000 ] - [ 0.0003647900000000, 0.0000558700000000, -0.0004554500000000 ] - [ -0.0006156700000000, -0.0003784200000000, -0.0020912500000000 ] - [ -0.0003647900000000, 0.0000558700000000, -0.0004554500000000 ] - [ 0.0008469300000000, 0.0002700300000000, 0.0039699500000000 ] - [ 0.0000683200000000, -0.0007944400000000, 0.0022061300000000 ] - [ 0.0022242700000000, 0.0049181900000000, -0.0002594300000000 ] - [ -0.0000261000000000, -0.0011917800000000, -0.0000443900000000 ] - [ 0.0000000000000000, 0.0011588000000000, 0.0048701100000000 ] - [ 0.0000000000000000, 0.0008217600000000, 0.0014587400000000 ] - [ 0.0008618700000000, -0.0013979900000000, -0.0000118800000000 ] - [ 0.0019501700000000, 0.0017913000000000, 0.0012441800000000 ] - [ -0.0008469300000000, 0.0002700300000000, 0.0039699500000000 ] - [ -0.0000683200000000, -0.0007944400000000, 0.0022061300000000 ] - [ -0.0004982100000000, 0.0007194100000000, -0.0005372500000000 ] - [ 0.0009321200000000, -0.0012981800000000, -0.0001473500000000 ] - [ -0.0012285700000000, -0.0004118300000000, -0.0015046100000000 ] - [ -0.0002392700000000, 0.0009702400000000, -0.0003233000000000 ] - [ -0.0000034200000000, -0.0000898900000000, -0.0007142800000000 ] - [ -0.0001853600000000, 0.0002326700000000, -0.0004087200000000 ] - [ 0.0000000000000000, 0.0010013200000000, 0.0002806500000000 ] - [ 0.0000000000000000, 0.0000598100000000, 0.0008036100000000 ] - [ -0.0000515800000000, 0.0001391100000000, -0.0005473400000000 ] - [ 0.0004173500000000, -0.0002580200000000, -0.0005383400000000 ] - [ -0.0008618700000000, -0.0013979900000000, -0.0000118800000000 ] - [ -0.0019501700000000, 0.0017913000000000, 0.0012441800000000 ] - [ 0.0000000000000000, 0.0000131600000000, 0.0001901100000000 ] - [ 0.0000000000000000, -0.0019058600000000, -0.0007128700000000 ] - [ 0.0006078900000000, 0.0006718300000000, -0.0012059000000000 ] - [ 0.0001628300000000, 0.0003940600000000, 0.0000093300000000 ] - [ -0.0022242700000000, 0.0049181900000000, -0.0002594300000000 ] - [ 0.0000261000000000, -0.0011917800000000, -0.0000443900000000 ] - [ 0.0038590400000000, -0.0031746400000000, 0.0001005700000000 ] - [ -0.0009739800000000, -0.0003133300000000, -0.0003644100000000 ] - [ 0.0000000000000000, -0.0005255300000000, -0.0017087900000000 ] - [ 0.0000000000000000, -0.0003849600000000, -0.0011493100000000 ] - [ 0.0004982100000000, 0.0007194100000000, -0.0005372500000000 ] - [ -0.0009321200000000, -0.0012981800000000, -0.0001473500000000 ] - [ -0.0006078900000000, 0.0006718300000000, -0.0012059000000000 ] - [ -0.0001628300000000, 0.0003940600000000, 0.0000093300000000 ] - [ 0.0000685800000000, 0.0000677800000000, 0.0028549900000000 ] - [ -0.0001905600000000, -0.0005330100000000, 0.0007286900000000 ] - [ -0.0012446200000000, 0.0003123900000000, 0.0026524600000000 ] - [ -0.0006936200000000, -0.0010244400000000, 0.0001697900000000 ] - [ 0.0000000000000000, -0.0008499100000000, -0.0029216800000000 ] - [ 0.0000000000000000, -0.0003173500000000, -0.0011833600000000 ] - [ 0.0003561700000000, -0.0027247400000000, -0.0017361800000000 ] - [ -0.0006480400000000, 0.0018612300000000, -0.0011369900000000 ] - [ -0.0003561700000000, -0.0027247400000000, -0.0017361800000000 ] - [ 0.0006480400000000, 0.0018612300000000, -0.0011369900000000 ] - [ 0.0000000000000000, -0.0005840600000000, 0.0023605400000000 ] - [ 0.0000000000000000, 0.0011157600000000, 0.0013612100000000 ] - [ 0.0000000000000000, 0.0005156400000000, 0.0017877500000000 ] - [ 0.0000000000000000, -0.0005984000000000, 0.0017213300000000 ] - [ 0.0000000000000000, 0.0035224800000000, -0.0021383600000000 ] - [ 0.0000000000000000, -0.0019807100000000, -0.0003971500000000 ] - [ -0.0000685800000000, 0.0000677800000000, 0.0028549900000000 ] - [ 0.0001905600000000, -0.0005330100000000, 0.0007286900000000 ] - [ 0.0000000000000000, 0.0005693900000000, 0.0003510900000000 ] - [ 0.0000000000000000, -0.0007325700000000, 0.0003463000000000 ] - [ 0.0012446200000000, 0.0003123900000000, 0.0026524600000000 ] - [ 0.0006936200000000, -0.0010244400000000, 0.0001697900000000 ] - [ 0.0000000000000000, 0.0033492800000000, 0.0017116600000000 ] - [ 0.0000000000000000, -0.0008870300000000, 0.0005009900000000 ] - [ -0.0002526300000000, 0.0006779600000000, -0.0040439000000000 ] - [ 0.0009335400000000, -0.0004807700000000, -0.0020432400000000 ] - [ -0.0000143000000000, -0.0001949300000000, 0.0023099700000000 ] - [ -0.0004217600000000, 0.0004767500000000, 0.0004131200000000 ] - [ 0.0002526300000000, 0.0006779600000000, -0.0040439000000000 ] - [ -0.0009335400000000, -0.0004807700000000, -0.0020432400000000 ] - [ 0.0000143000000000, -0.0001949300000000, 0.0023099700000000 ] - [ 0.0004217600000000, 0.0004767500000000, 0.0004131200000000 ] - [ 0.0017172300000000, 0.0008949300000000, -0.0032419700000000 ] - [ -0.0000601700000000, 0.0010326100000000, -0.0002185600000000 ] - [ 0.0000000000000000, 0.0015189500000000, 0.0012323500000000 ] - [ 0.0000000000000000, -0.0019128400000000, 0.0019853900000000 ] - [ 0.0000000000000000, 0.0015570800000000, 0.0019789300000000 ] - [ 0.0000000000000000, -0.0012374900000000, 0.0022172500000000 ] - [ -0.0017172300000000, 0.0008949300000000, -0.0032419700000000 ] - [ 0.0000601700000000, 0.0010326100000000, -0.0002185600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001022500000000, -0.0004480600000000, 0.0003366600000000 ] - [ -0.0054442800000000, -0.0004538200000000, 0.0003395600000000 ] - [ 0.0030155300000000, 0.0004104900000000, 0.0003200700000000 ] - [ 0.0052452100000000, 0.0004621000000000, 0.0003434700000000 ] - [ -0.0001402500000000, -0.0000296100000000, 0.0002579700000000 ] - [ -0.0014115700000000, -0.0000401000000000, 0.0002682400000000 ] - [ 0.0017775900000000, 0.0000258300000000, 0.0002640800000000 ] - [ 0.0047569200000000, 0.0000246500000000, 0.0002534200000000 ] - [ -0.4606842900000000, -0.0055538600000000, -0.0043441800000000 ] - [ -0.0009723500000000, 0.0006503300000000, -0.0005572800000000 ] - [ 0.0003905400000000, -0.0006570100000000, -0.0005589700000000 ] - [ 0.0001254100000000, -0.0006559800000000, -0.0005582300000000 ] - [ -0.0031577000000000, -0.0047444800000000, 0.0038351400000000 ] - [ -0.0032376200000000, 0.0033204400000000, 0.0007730700000000 ] - [ -0.0001253000000000, -0.0004627400000000, -0.0002965600000000 ] - [ 0.0321443900000000, 0.0078229000000000, 0.0099089900000000 ] - [ -0.0002368300000000, -0.0001745400000000, -0.0000191100000000 ] - [ 0.0036837300000000, 0.0022156400000000, -0.0020105500000000 ] - [ 0.0007417600000000, -0.0005163800000000, -0.0003355400000000 ] - [ 0.0010148000000000, -0.0003921700000000, -0.0006494800000000 ] - [ 0.0002660200000000, 0.0002391900000000, 0.0001909000000000 ] - [ 0.0033936900000000, -0.0095736300000000, -0.0258155200000000 ] - [ -0.0002750600000000, 0.0002813300000000, 0.0005342900000000 ] - [ 0.0028963700000000, 0.0101308500000000, 0.0265457300000000 ] - [ 0.0002820200000000, 0.0000158500000000, 0.0002090800000000 ] - [ 0.0003941300000000, -0.0002109800000000, 0.0001098800000000 ] - [ 0.0001434600000000, -0.0004422400000000, 0.0000263400000000 ] - [ 0.0002046200000000, -0.0001813700000000, -0.0000301300000000 ] - [ -0.0000100000000000, 0.0006736100000000, 0.0004625400000000 ] - [ -0.0002867800000000, 0.0006717100000000, 0.0004552300000000 ] - [ -0.0038164200000000, -0.0021003800000000, 0.0037768000000000 ] - [ -0.0001152600000000, -0.0001515200000000, 0.0000318100000000 ] - [ -0.0002605300000000, -0.0005316300000000, 0.0005035300000000 ] - [ -0.0001452300000000, -0.0003099200000000, 0.0006150400000000 ] - [ -0.0005087700000000, 0.0000286500000000, -0.0001599900000000 ] - [ -0.0003707300000000, 0.0001545000000000, -0.0004255200000000 ] - [ -0.0045640500000000, 0.0057455800000000, -0.0045164000000000 ] - [ -0.0047129000000000, -0.0023001700000000, -0.0014479500000000 ] - [ 0.0001269000000000, -0.0001381900000000, -0.0001032000000000 ] - [ 0.0040521200000000, -0.0025310500000000, 0.0018880400000000 ] - [ 0.0000474600000000, 0.0004045600000000, 0.0005797000000000 ] - [ 0.0033709700000000, 0.0004351200000000, 0.0005561300000000 ] - [ 0.0005092600000000, 0.0002049200000000, -0.0004949100000000 ] - [ 0.0329546500000000, -0.0080014400000000, -0.0106439900000000 ] - [ -0.0042358200000000, 0.0023896100000000, -0.0039044900000000 ] - [ -0.0004796000000000, 0.0004602900000000, -0.0001531200000000 ] - [ -0.0008001700000000, -0.0004085300000000, 0.0005747800000000 ] - [ 0.0001909400000000, -0.0004083200000000, 0.0005770000000000 ] - [ -0.0003531600000000, 0.0012989100000000, -0.0000901300000000 ] - [ 0.0095899200000000, -0.0242930600000000, 0.0041814900000000 ] - [ -0.0001382800000000, -0.0004104400000000, 0.0000097700000000 ] - [ -0.0000785300000000, -0.0006713300000000, 0.0000675400000000 ] - [ -0.0007409400000000, -0.0005009500000000, -0.0003384200000000 ] - [ -0.0004709700000000, -0.0006226500000000, -0.0000263400000000 ] - [ 0.0001011500000000, -0.0006622400000000, 0.0004196400000000 ] - [ -0.0003427700000000, -0.0006751500000000, 0.0004656200000000 ] - [ 0.0001306900000000, 0.0002281600000000, -0.0006336800000000 ] - [ 0.0002640200000000, 0.0001003200000000, -0.0003670400000000 ] - [ -0.0006425500000000, -0.0004640800000000, 0.0001298400000000 ] - [ 0.0093436600000000, 0.0251234700000000, -0.0040899800000000 ] - [ -0.0001609800000000, -0.0001510500000000, -0.0000779000000000 ] - [ -0.0034946600000000, 0.0057764800000000, 0.0175337800000000 ] - [ 0.0033389900000000, -0.0009901700000000, 0.0023400200000000 ] - [ -0.0060255800000000, 0.0172359700000000, -0.0016080100000000 ] - [ -0.0000673700000000, -0.0002935700000000, -0.0004185700000000 ] - [ -0.0026053400000000, -0.0003192600000000, -0.0004031100000000 ] - [ -0.0007800000000000, 0.0001675100000000, -0.0005315700000000 ] - [ -0.0008643900000000, 0.0002413900000000, -0.0004659700000000 ] - [ 0.0006294000000000, -0.0001461600000000, -0.0000183800000000 ] - [ 0.0005426900000000, -0.0002146400000000, -0.0000901500000000 ] - [ 0.0003803000000000, 0.0002893200000000, -0.0003846900000000 ] - [ 0.0004533000000000, 0.0003004800000000, -0.0004197900000000 ] - [ 0.0000610100000000, -0.0000903600000000, 0.0006768500000000 ] - [ -0.0036830700000000, -0.0000923100000000, 0.0006757400000000 ] - [ -0.0000648700000000, -0.0005178600000000, 0.0001680000000000 ] - [ -0.0002363300000000, -0.0005191100000000, 0.0001728600000000 ] - [ -0.0000607100000000, -0.0005384300000000, -0.0001609100000000 ] - [ -0.0034144700000000, -0.0064584900000000, -0.0177419900000000 ] - [ -0.0311908400000000, -0.0000289900000000, 0.0001799000000000 ] - [ -0.0010397900000000, 0.0000067700000000, 0.0002057000000000 ] - [ 0.0039843600000000, -0.0003958700000000, -0.0024391000000000 ] - [ -0.0054285800000000, -0.0185725900000000, 0.0014985700000000 ] - [ 0.0000326300000000, -0.0000046500000000, 0.0002088700000000 ] - [ 0.0011843300000000, -0.0000031400000000, 0.0002095500000000 ] - [ 0.0033670700000000, -0.0027103600000000, -0.0004901200000000 ] - [ -0.0000170900000000, 0.0000885100000000, 0.0006590700000000 ] - [ -0.0002952800000000, 0.0005861100000000, -0.0003840900000000 ] - [ 0.1712667200000000, 0.0819786200000000, 0.0499559800000000 ] - [ 0.0034152700000000, 0.0033955200000000, 0.0002538300000000 ] - [ 0.0000711000000000, 0.0006021600000000, -0.0008980700000000 ] - [ 0.0011053600000000, -0.0006005500000000, -0.0001739400000000 ] - [ 0.1649708900000000, -0.0764156100000000, -0.0471614000000000 ] - [ 0.0002823700000000, 0.0006892500000000, -0.0000475900000000 ] - [ 0.0004264900000000, 0.0010845400000000, 0.0009759300000000 ] - [ 0.0401470600000000, 0.0002168100000000, 0.0012226700000000 ] - [ 0.0004211600000000, 0.0000933200000000, 0.0006745200000000 ] - [ 0.0374616000000000, 0.0009781800000000, -0.0000008900000000 ] - [ 0.0038476200000000, 0.0005219600000000, 0.0001663000000000 ] - [ -0.0003036300000000, 0.0007024100000000, -0.0000376500000000 ] - [ -0.0001582000000000, 0.0003068800000000, -0.0010649300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0042043500000000, -0.0026961700000000 ] - [ 0.0000000000000000, -0.0003916400000000, 0.0048854000000000 ] - [ 0.0000000000000000, -0.0070425200000000, 0.0053223200000000 ] - [ 0.0000000000000000, 0.0052524000000000, -0.0030785000000000 ] - [ 0.0000000000000000, 0.0007799200000000, 0.0018283300000000 ] - [ 0.0000000000000000, 0.0003009800000000, -0.0026348000000000 ] - [ 0.0000000000000000, -0.0018633700000000, -0.0037083900000000 ] - [ 0.0000000000000000, 0.0036824500000000, 0.0027112500000000 ] - [ 0.0000000000000000, -0.4364659000000000, -0.0186517700000000 ] - [ 0.0000000000000000, 0.0119964100000000, -0.0006157600000000 ] - [ 0.0000000000000000, 0.0029816300000000, -0.0004746100000000 ] - [ 0.0000000000000000, -0.0056997100000000, 0.0014710000000000 ] - [ -0.0226236000000000, 0.0215914100000000, 0.0046150700000000 ] - [ -0.0016678900000000, 0.0043822800000000, 0.0007405400000000 ] - [ 0.0008904500000000, 0.0013365300000000, -0.0000005700000000 ] - [ -0.0126312000000000, -0.0105082700000000, -0.0085209700000000 ] - [ 0.0012735100000000, 0.0012563400000000, -0.0011603400000000 ] - [ -0.0026807600000000, -0.0032411100000000, 0.0023599100000000 ] - [ 0.0015318900000000, 0.0002107500000000, -0.0005273100000000 ] - [ 0.0002871500000000, -0.0009294900000000, -0.0000064600000000 ] - [ 0.0002984100000000, 0.0016211900000000, 0.0007279600000000 ] - [ -0.0034861100000000, 0.0056521100000000, 0.0149508600000000 ] - [ -0.0002984100000000, 0.0016211900000000, 0.0007279600000000 ] - [ 0.0034861100000000, 0.0056521100000000, 0.0149508600000000 ] - [ -0.0000190600000000, -0.0009647800000000, 0.0017302300000000 ] - [ 0.0004394500000000, 0.0001926100000000, -0.0004333800000000 ] - [ -0.0004231700000000, -0.0017717500000000, -0.0007457800000000 ] - [ 0.0004249000000000, 0.0009924000000000, 0.0004107100000000 ] - [ 0.0000000000000000, 0.0007352400000000, 0.0017211300000000 ] - [ 0.0000000000000000, 0.0001809900000000, -0.0018340600000000 ] - [ -0.0000111900000000, -0.0004721500000000, 0.0040663800000000 ] - [ 0.0010308000000000, 0.0012633000000000, 0.0002906500000000 ] - [ 0.0000190600000000, -0.0009647800000000, 0.0017302300000000 ] - [ -0.0004394500000000, 0.0001926100000000, -0.0004333800000000 ] - [ -0.0002520600000000, -0.0005408700000000, -0.0006431800000000 ] - [ -0.0007503000000000, 0.0006488700000000, -0.0004313400000000 ] - [ 0.0226236000000000, 0.0215914100000000, 0.0046150700000000 ] - [ 0.0016678900000000, 0.0043822800000000, 0.0007405400000000 ] - [ -0.0012735100000000, 0.0012563400000000, -0.0011603400000000 ] - [ 0.0026807600000000, -0.0032411100000000, 0.0023599100000000 ] - [ 0.0000000000000000, 0.0022054100000000, 0.0001135300000000 ] - [ 0.0000000000000000, 0.0006712700000000, -0.0016889900000000 ] - [ -0.0008904500000000, 0.0013365300000000, -0.0000005700000000 ] - [ 0.0126312000000000, -0.0105082700000000, -0.0085209700000000 ] - [ 0.0000111900000000, -0.0004721500000000, 0.0040663800000000 ] - [ -0.0010308000000000, 0.0012633000000000, 0.0002906500000000 ] - [ 0.0000000000000000, -0.0053880000000000, -0.0019908000000000 ] - [ 0.0000000000000000, 0.0011788300000000, 0.0016133400000000 ] - [ -0.0020702500000000, 0.0067725000000000, -0.0009163500000000 ] - [ -0.0069521600000000, 0.0107399300000000, 0.0008708800000000 ] - [ 0.0004231700000000, -0.0017717500000000, -0.0007457800000000 ] - [ -0.0004249000000000, 0.0009924000000000, 0.0004107100000000 ] - [ -0.0015318900000000, 0.0002107500000000, -0.0005273100000000 ] - [ -0.0002871500000000, -0.0009294900000000, -0.0000064600000000 ] - [ 0.0000000000000000, 0.0045812000000000, -0.0261648800000000 ] - [ 0.0000000000000000, 0.0002594300000000, 0.0004092700000000 ] - [ 0.0002520600000000, -0.0005408700000000, -0.0006431800000000 ] - [ 0.0007503000000000, 0.0006488700000000, -0.0004313400000000 ] - [ 0.0020702500000000, 0.0067725000000000, -0.0009163500000000 ] - [ 0.0069521600000000, 0.0107399300000000, 0.0008708800000000 ] - [ -0.0011495200000000, -0.0029175800000000, 0.0008701200000000 ] - [ 0.0027939100000000, -0.0021989600000000, -0.0105460000000000 ] - [ -0.0137905900000000, -0.0124926600000000, -0.0040333300000000 ] - [ 0.0010601900000000, -0.0078814700000000, -0.0008603400000000 ] - [ 0.0000000000000000, -0.0020064400000000, -0.0024809900000000 ] - [ 0.0000000000000000, -0.0008680500000000, 0.0031267000000000 ] - [ -0.0018523300000000, 0.0024295100000000, -0.0013857200000000 ] - [ -0.0002244300000000, -0.0018729300000000, 0.0001973100000000 ] - [ 0.0018523300000000, 0.0024295100000000, -0.0013857200000000 ] - [ 0.0002244300000000, -0.0018729300000000, 0.0001973100000000 ] - [ 0.0000000000000000, -0.0016960000000000, 0.0187295900000000 ] - [ 0.0000000000000000, -0.0019033800000000, -0.0014365800000000 ] - [ 0.0000000000000000, -0.0031012700000000, 0.0010924800000000 ] - [ 0.0000000000000000, 0.0048953100000000, -0.0018782900000000 ] - [ 0.0000000000000000, -0.0028193500000000, -0.0007652400000000 ] - [ 0.0000000000000000, 0.0017811900000000, 0.0013110400000000 ] - [ 0.0011495200000000, -0.0029175800000000, 0.0008701200000000 ] - [ -0.0027939100000000, -0.0021989600000000, -0.0105460000000000 ] - [ 0.0000000000000000, 0.0150585600000000, 0.0129525200000000 ] - [ 0.0000000000000000, -0.0036040100000000, 0.0002258300000000 ] - [ 0.0137905900000000, -0.0124926600000000, -0.0040333300000000 ] - [ -0.0010601900000000, -0.0078814700000000, -0.0008603400000000 ] - [ 0.0000000000000000, -0.0019418300000000, 0.0000649500000000 ] - [ 0.0000000000000000, 0.0039577300000000, 0.0011593300000000 ] - [ -0.0005988700000000, 0.0027543700000000, -0.0015753200000000 ] - [ 0.0006329600000000, -0.0011780200000000, 0.0007100300000000 ] - [ -0.0022923800000000, -0.0065348600000000, -0.0006277900000000 ] - [ 0.0813048300000000, 0.0876852500000000, 0.0293944100000000 ] - [ 0.0005988700000000, 0.0027543700000000, -0.0015753200000000 ] - [ -0.0006329600000000, -0.0011780200000000, 0.0007100300000000 ] - [ 0.0022923800000000, -0.0065348600000000, -0.0006277900000000 ] - [ -0.0813048300000000, 0.0876852500000000, 0.0293944100000000 ] - [ -0.0008808600000000, 0.0005896900000000, 0.0009441300000000 ] - [ 0.0008289400000000, -0.0001227200000000, -0.0007673100000000 ] - [ 0.0000000000000000, 0.0420753500000000, 0.0268361500000000 ] - [ 0.0000000000000000, -0.0029237100000000, 0.0001654200000000 ] - [ 0.0000000000000000, 0.1855723900000000, -0.0758515400000000 ] - [ 0.0000000000000000, -0.0076186900000000, 0.0008163700000000 ] - [ 0.0008808600000000, 0.0005896900000000, 0.0009441300000000 ] - [ -0.0008289400000000, -0.0001227200000000, -0.0007673100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0050986600000000, 0.0033710200000000 ] - [ 0.0000000000000000, -0.0005306100000000, -0.0042084400000000 ] - [ 0.0000000000000000, 0.0080000600000000, -0.0046706900000000 ] - [ 0.0000000000000000, -0.0043531800000000, 0.0037345700000000 ] - [ 0.0000000000000000, -0.0008305600000000, -0.0013261600000000 ] - [ 0.0000000000000000, -0.0003761500000000, 0.0031500800000000 ] - [ 0.0000000000000000, 0.0019584700000000, 0.0042389300000000 ] - [ 0.0000000000000000, -0.0036351500000000, -0.0021849100000000 ] - [ 0.0000000000000000, 0.4464084300000000, 0.0086343900000000 ] - [ 0.0000000000000000, -0.0106681700000000, -0.0005183800000000 ] - [ 0.0000000000000000, -0.0042876700000000, -0.0006399300000000 ] - [ 0.0000000000000000, 0.0043895900000000, -0.0025915600000000 ] - [ 0.0242365600000000, -0.0207523800000000, -0.0052203200000000 ] - [ 0.0031516300000000, -0.0033478200000000, -0.0014093400000000 ] - [ -0.0015248700000000, -0.0015917100000000, -0.0007915700000000 ] - [ 0.0120447100000000, 0.0102702900000000, 0.0077483300000000 ] - [ -0.0016369300000000, -0.0015645500000000, 0.0010375600000000 ] - [ 0.0023157700000000, 0.0029255400000000, -0.0024895400000000 ] - [ -0.0000470700000000, -0.0012238400000000, -0.0001472800000000 ] - [ 0.0011919100000000, -0.0000896500000000, -0.0006668000000000 ] - [ 0.0002413000000000, -0.0010938600000000, 0.0000116200000000 ] - [ 0.0039936800000000, -0.0051875500000000, -0.0142564600000000 ] - [ -0.0002413000000000, -0.0010938600000000, 0.0000116200000000 ] - [ -0.0039936800000000, -0.0051875500000000, -0.0142564600000000 ] - [ 0.0005563900000000, 0.0004490000000000, -0.0010082800000000 ] - [ 0.0001006900000000, -0.0007125600000000, 0.0011571200000000 ] - [ 0.0007063600000000, 0.0009256000000000, 0.0007834700000000 ] - [ -0.0001426100000000, -0.0018460500000000, -0.0003718100000000 ] - [ 0.0000000000000000, 0.0006155100000000, -0.0007979800000000 ] - [ 0.0000000000000000, 0.0011686300000000, 0.0027652400000000 ] - [ 0.0003772700000000, 0.0008564500000000, -0.0041809100000000 ] - [ -0.0006715400000000, -0.0009553700000000, -0.0004181400000000 ] - [ -0.0005563900000000, 0.0004490000000000, -0.0010082800000000 ] - [ -0.0001006900000000, -0.0007125600000000, 0.0011571200000000 ] - [ -0.0003833000000000, 0.0007973000000000, -0.0001501100000000 ] - [ 0.0001169700000000, -0.0003923400000000, -0.0003611800000000 ] - [ -0.0242365600000000, -0.0207523800000000, -0.0052203200000000 ] - [ -0.0031516300000000, -0.0033478200000000, -0.0014093400000000 ] - [ 0.0016369300000000, -0.0015645500000000, 0.0010375600000000 ] - [ -0.0023157700000000, 0.0029255400000000, -0.0024895400000000 ] - [ 0.0000000000000000, -0.0013884200000000, 0.0010378700000000 ] - [ 0.0000000000000000, 0.0001311400000000, 0.0028563300000000 ] - [ 0.0015248700000000, -0.0015917100000000, -0.0007915700000000 ] - [ -0.0120447100000000, 0.0102702900000000, 0.0077483300000000 ] - [ -0.0003772700000000, 0.0008564500000000, -0.0041809100000000 ] - [ 0.0006715400000000, -0.0009553700000000, -0.0004181400000000 ] - [ 0.0000000000000000, 0.0045827500000000, 0.0031492500000000 ] - [ 0.0000000000000000, -0.0019905200000000, -0.0004568500000000 ] - [ 0.0023745000000000, -0.0059488500000000, 0.0009622800000000 ] - [ 0.0071455900000000, -0.0098884500000000, -0.0008292800000000 ] - [ -0.0007063600000000, 0.0009256000000000, 0.0007834700000000 ] - [ 0.0001426100000000, -0.0018460500000000, -0.0003718100000000 ] - [ 0.0000470700000000, -0.0012238400000000, -0.0001472800000000 ] - [ -0.0011919100000000, -0.0000896500000000, -0.0006668000000000 ] - [ 0.0000000000000000, -0.0059839100000000, 0.0270756000000000 ] - [ 0.0000000000000000, -0.0016075300000000, 0.0005358100000000 ] - [ 0.0003833000000000, 0.0007973000000000, -0.0001501100000000 ] - [ -0.0001169700000000, -0.0003923400000000, -0.0003611800000000 ] - [ -0.0023745000000000, -0.0059488500000000, 0.0009622800000000 ] - [ -0.0071455900000000, -0.0098884500000000, -0.0008292800000000 ] - [ 0.0010564200000000, 0.0022164300000000, -0.0011175000000000 ] - [ -0.0028826800000000, 0.0015507800000000, 0.0103552100000000 ] - [ 0.0132352100000000, 0.0111443400000000, 0.0039224400000000 ] - [ -0.0016217300000000, 0.0065034300000000, 0.0007673000000000 ] - [ 0.0000000000000000, 0.0014071700000000, 0.0016550200000000 ] - [ 0.0000000000000000, 0.0002875500000000, -0.0039670500000000 ] - [ 0.0004487500000000, -0.0024116300000000, 0.0008349600000000 ] - [ -0.0011777100000000, 0.0018958800000000, -0.0007500400000000 ] - [ -0.0004487500000000, -0.0024116300000000, 0.0008349600000000 ] - [ 0.0011777100000000, 0.0018958800000000, -0.0007500400000000 ] - [ 0.0000000000000000, 0.0022988200000000, -0.0195204900000000 ] - [ 0.0000000000000000, 0.0025084000000000, 0.0005857100000000 ] - [ 0.0000000000000000, 0.0029193900000000, 0.0002493500000000 ] - [ 0.0000000000000000, -0.0050757900000000, 0.0032257300000000 ] - [ 0.0000000000000000, 0.0017867000000000, 0.0011052800000000 ] - [ 0.0000000000000000, -0.0028061300000000, -0.0009745900000000 ] - [ -0.0010564200000000, 0.0022164300000000, -0.0011175000000000 ] - [ 0.0028826800000000, 0.0015507800000000, 0.0103552100000000 ] - [ 0.0000000000000000, -0.0151141500000000, -0.0126010400000000 ] - [ 0.0000000000000000, 0.0036088300000000, 0.0001866000000000 ] - [ -0.0132352100000000, 0.0111443400000000, 0.0039224400000000 ] - [ 0.0016217300000000, 0.0065034300000000, 0.0007673000000000 ] - [ 0.0000000000000000, 0.0019337000000000, 0.0003474000000000 ] - [ 0.0000000000000000, -0.0039581300000000, -0.0007432000000000 ] - [ 0.0005269700000000, -0.0021088500000000, 0.0013219300000000 ] - [ -0.0007278800000000, 0.0018797900000000, -0.0009421100000000 ] - [ 0.0008940100000000, 0.0065245400000000, 0.0000676400000000 ] - [ -0.0800025000000000, -0.0871516000000000, -0.0289126900000000 ] - [ -0.0005269700000000, -0.0021088500000000, 0.0013219300000000 ] - [ 0.0007278800000000, 0.0018797900000000, -0.0009421100000000 ] - [ -0.0008940100000000, 0.0065245400000000, 0.0000676400000000 ] - [ 0.0800025000000000, -0.0871516000000000, -0.0289126900000000 ] - [ 0.0014662000000000, 0.0007994100000000, -0.0010265900000000 ] - [ -0.0002396400000000, 0.0015222700000000, 0.0006845900000000 ] - [ 0.0000000000000000, -0.0415666500000000, -0.0246934900000000 ] - [ 0.0000000000000000, 0.0031065500000000, 0.0011884400000000 ] - [ 0.0000000000000000, -0.1944592200000000, 0.0820737200000000 ] - [ 0.0000000000000000, 0.0086309400000000, -0.0004805600000000 ] - [ -0.0014662000000000, 0.0007994100000000, -0.0010265900000000 ] - [ 0.0002396400000000, 0.0015222700000000, 0.0006845900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0024486200000000, 0.0043935600000000 ] - [ 0.0000000000000000, 0.0015352800000000, 0.0066228800000000 ] - [ 0.0000000000000000, 0.0041482900000000, -0.0110476700000000 ] - [ 0.0000000000000000, 0.0003702200000000, -0.0048003300000000 ] - [ 0.0000000000000000, 0.0048488900000000, 0.0015394400000000 ] - [ 0.0000000000000000, -0.0102704800000000, 0.0074083700000000 ] - [ 0.0000000000000000, -0.0016366400000000, 0.0021255800000000 ] - [ 0.0000000000000000, 0.0018067900000000, 0.0015609500000000 ] - [ 0.0000000000000000, -0.0110271900000000, -0.4611715800000000 ] - [ 0.0000000000000000, 0.0006040500000000, -0.0060241200000000 ] - [ 0.0000000000000000, -0.0007363100000000, 0.0034078200000000 ] - [ 0.0000000000000000, -0.0026792300000000, 0.0083969500000000 ] - [ 0.0147802600000000, -0.0078933700000000, -0.0083978200000000 ] - [ -0.0003019700000000, 0.0012076000000000, -0.0004668300000000 ] - [ -0.0008329100000000, -0.0002677700000000, -0.0008842100000000 ] - [ -0.0077592800000000, -0.0061356800000000, -0.0080979600000000 ] - [ -0.0009979700000000, -0.0008387300000000, 0.0008090600000000 ] - [ -0.0023766100000000, -0.0015894200000000, 0.0018745300000000 ] - [ 0.0008435500000000, -0.0003800900000000, 0.0001605700000000 ] - [ 0.0008574400000000, -0.0005886900000000, 0.0002652000000000 ] - [ 0.0001715800000000, -0.0001981800000000, 0.0001436400000000 ] - [ -0.0069377500000000, 0.0051198700000000, 0.0047095200000000 ] - [ -0.0001715800000000, -0.0001981800000000, 0.0001436400000000 ] - [ 0.0069377500000000, 0.0051198700000000, 0.0047095200000000 ] - [ 0.0002534900000000, -0.0023873100000000, 0.0061666100000000 ] - [ 0.0000644400000000, -0.0007249900000000, 0.0011689700000000 ] - [ 0.0004600500000000, 0.0003434100000000, 0.0012297200000000 ] - [ -0.0001824900000000, -0.0011559600000000, 0.0003700800000000 ] - [ 0.0000000000000000, 0.0013835800000000, 0.0008316400000000 ] - [ 0.0000000000000000, 0.0002735500000000, 0.0012005500000000 ] - [ 0.0228389000000000, 0.0175436700000000, 0.0171671600000000 ] - [ -0.0005466500000000, -0.0007870900000000, -0.0011806100000000 ] - [ -0.0002534900000000, -0.0023873100000000, 0.0061666100000000 ] - [ -0.0000644400000000, -0.0007249900000000, 0.0011689700000000 ] - [ 0.0011198200000000, -0.0002697600000000, 0.0012303600000000 ] - [ 0.0000264900000000, 0.0000357000000000, 0.0001035700000000 ] - [ -0.0147802600000000, -0.0078933700000000, -0.0083978200000000 ] - [ 0.0003019700000000, 0.0012076000000000, -0.0004668300000000 ] - [ 0.0009979700000000, -0.0008387300000000, 0.0008090600000000 ] - [ 0.0023766100000000, -0.0015894200000000, 0.0018745300000000 ] - [ 0.0000000000000000, 0.0010765500000000, -0.0009623500000000 ] - [ 0.0000000000000000, 0.0014732100000000, -0.0028064200000000 ] - [ 0.0008329100000000, -0.0002677700000000, -0.0008842100000000 ] - [ 0.0077592800000000, -0.0061356800000000, -0.0080979600000000 ] - [ -0.0228389000000000, 0.0175436700000000, 0.0171671600000000 ] - [ 0.0005466500000000, -0.0007870900000000, -0.0011806100000000 ] - [ 0.0000000000000000, 0.0012081800000000, 0.0043475900000000 ] - [ 0.0000000000000000, 0.0001280800000000, 0.0015287600000000 ] - [ 0.0005205900000000, -0.0012498900000000, 0.0001171100000000 ] - [ -0.0015366100000000, 0.0114129000000000, -0.0028573600000000 ] - [ -0.0004600500000000, 0.0003434100000000, 0.0012297200000000 ] - [ 0.0001824900000000, -0.0011559600000000, 0.0003700800000000 ] - [ -0.0008435500000000, -0.0003800900000000, 0.0001605700000000 ] - [ -0.0008574400000000, -0.0005886900000000, 0.0002652000000000 ] - [ 0.0000000000000000, -0.0077600300000000, 0.0083727100000000 ] - [ 0.0000000000000000, -0.0003123300000000, 0.0008545000000000 ] - [ -0.0011198200000000, -0.0002697600000000, 0.0012303600000000 ] - [ -0.0000264900000000, 0.0000357000000000, 0.0001035700000000 ] - [ -0.0005205900000000, -0.0012498900000000, 0.0001171100000000 ] - [ 0.0015366100000000, 0.0114129000000000, -0.0028573600000000 ] - [ 0.0001244300000000, 0.0011020300000000, -0.0011590400000000 ] - [ 0.0036165400000000, -0.0013529500000000, -0.0025879600000000 ] - [ 0.0090910200000000, 0.0051983700000000, 0.0062427300000000 ] - [ 0.0009683800000000, -0.0088726400000000, 0.0022308700000000 ] - [ 0.0000000000000000, -0.0023613600000000, 0.0020321200000000 ] - [ 0.0000000000000000, 0.0001978100000000, 0.0021227600000000 ] - [ -0.0012070600000000, 0.0015175400000000, -0.0057433000000000 ] - [ -0.0010040900000000, 0.0006371500000000, -0.0015255000000000 ] - [ 0.0012070600000000, 0.0015175400000000, -0.0057433000000000 ] - [ 0.0010040900000000, 0.0006371500000000, -0.0015255000000000 ] - [ 0.0000000000000000, 0.0027434700000000, -0.0061592900000000 ] - [ 0.0000000000000000, -0.0005500600000000, -0.0019874000000000 ] - [ 0.0000000000000000, 0.0003409600000000, -0.0021227800000000 ] - [ 0.0000000000000000, 0.0016287400000000, -0.0055152800000000 ] - [ 0.0000000000000000, -0.0011236500000000, -0.0010698500000000 ] - [ 0.0000000000000000, -0.0006208700000000, -0.0019322300000000 ] - [ -0.0001244300000000, 0.0011020300000000, -0.0011590400000000 ] - [ -0.0036165400000000, -0.0013529500000000, -0.0025879600000000 ] - [ 0.0000000000000000, 0.0079684000000000, 0.0124397800000000 ] - [ 0.0000000000000000, -0.0005773300000000, 0.0019946300000000 ] - [ -0.0090910200000000, 0.0051983700000000, 0.0062427300000000 ] - [ -0.0009683800000000, -0.0088726400000000, 0.0022308700000000 ] - [ 0.0000000000000000, -0.0001590100000000, -0.0012605700000000 ] - [ 0.0000000000000000, -0.0004842800000000, -0.0037860300000000 ] - [ 0.0138644300000000, -0.0112090300000000, -0.0105297000000000 ] - [ 0.0014301800000000, 0.0024635800000000, 0.0014145800000000 ] - [ -0.0004633700000000, 0.0012339400000000, 0.0008956700000000 ] - [ 0.0463254100000000, 0.0287085500000000, 0.0568984400000000 ] - [ -0.0138644300000000, -0.0112090300000000, -0.0105297000000000 ] - [ -0.0014301800000000, 0.0024635800000000, 0.0014145800000000 ] - [ 0.0004633700000000, 0.0012339400000000, 0.0008956700000000 ] - [ -0.0463254100000000, 0.0287085500000000, 0.0568984400000000 ] - [ 0.0005088000000000, 0.0003782300000000, -0.0024639900000000 ] - [ -0.0007945200000000, 0.0010254400000000, -0.0036064200000000 ] - [ 0.0000000000000000, 0.0232428400000000, 0.2454323600000000 ] - [ 0.0000000000000000, 0.0003825800000000, 0.0044221400000000 ] - [ 0.0000000000000000, -0.0756626900000000, 0.0812048900000000 ] - [ 0.0000000000000000, -0.0010042800000000, 0.0010105100000000 ] - [ -0.0005088000000000, 0.0003782300000000, -0.0024639900000000 ] - [ 0.0007945200000000, 0.0010254400000000, -0.0036064200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0015205500000000, -0.0037146500000000 ] - [ 0.0000000000000000, -0.0024158900000000, -0.0059234300000000 ] - [ 0.0000000000000000, -0.0032429600000000, 0.0117688200000000 ] - [ 0.0000000000000000, 0.0005294300000000, 0.0054993000000000 ] - [ 0.0000000000000000, -0.0049123600000000, -0.0010134000000000 ] - [ 0.0000000000000000, 0.0102169700000000, -0.0068846400000000 ] - [ 0.0000000000000000, 0.0016911600000000, -0.0016316800000000 ] - [ 0.0000000000000000, -0.0017410700000000, -0.0010688600000000 ] - [ 0.0000000000000000, 0.0164120400000000, 0.4766868400000000 ] - [ 0.0000000000000000, 0.0006985300000000, 0.0049203100000000 ] - [ 0.0000000000000000, -0.0005737000000000, -0.0045215600000000 ] - [ 0.0000000000000000, 0.0013825600000000, -0.0094939400000000 ] - [ -0.0133435800000000, 0.0089556100000000, 0.0077356500000000 ] - [ 0.0017884800000000, -0.0002004100000000, -0.0002129600000000 ] - [ 0.0002001000000000, 0.0000123400000000, 0.0000921700000000 ] - [ 0.0072040900000000, 0.0058963800000000, 0.0073490700000000 ] - [ 0.0006351900000000, 0.0005298900000000, -0.0009304900000000 ] - [ 0.0019991400000000, 0.0012715700000000, -0.0019894700000000 ] - [ 0.0006354400000000, -0.0006400400000000, -0.0008324300000000 ] - [ 0.0006251500000000, -0.0004273900000000, -0.0009357200000000 ] - [ 0.0003704800000000, 0.0007195900000000, 0.0005759600000000 ] - [ 0.0074230800000000, -0.0045370000000000, -0.0039795700000000 ] - [ -0.0003704800000000, 0.0007195900000000, 0.0005759600000000 ] - [ -0.0074230800000000, -0.0045370000000000, -0.0039795700000000 ] - [ 0.0002776800000000, 0.0018826000000000, -0.0054553200000000 ] - [ 0.0004736100000000, 0.0002026800000000, -0.0004355500000000 ] - [ -0.0001772000000000, -0.0012012700000000, -0.0011899800000000 ] - [ 0.0004659100000000, 0.0003102200000000, -0.0003288200000000 ] - [ 0.0000000000000000, -0.0000346600000000, 0.0001057000000000 ] - [ 0.0000000000000000, 0.0010785200000000, -0.0002569700000000 ] - [ -0.0225213500000000, -0.0172896900000000, -0.0174488100000000 ] - [ 0.0009120200000000, 0.0010972400000000, 0.0010610900000000 ] - [ -0.0002776800000000, 0.0018826000000000, -0.0054553200000000 ] - [ -0.0004736100000000, 0.0002026800000000, -0.0004355500000000 ] - [ -0.0017479900000000, 0.0005237800000000, -0.0020158000000000 ] - [ -0.0006594400000000, 0.0002197700000000, -0.0008941800000000 ] - [ 0.0133435800000000, 0.0089556100000000, 0.0077356500000000 ] - [ -0.0017884800000000, -0.0002004100000000, -0.0002129600000000 ] - [ -0.0006351900000000, 0.0005298900000000, -0.0009304900000000 ] - [ -0.0019991400000000, 0.0012715700000000, -0.0019894700000000 ] - [ 0.0000000000000000, -0.0002626400000000, 0.0021228100000000 ] - [ 0.0000000000000000, -0.0006640100000000, 0.0039788600000000 ] - [ -0.0002001000000000, 0.0000123400000000, 0.0000921700000000 ] - [ -0.0072040900000000, 0.0058963800000000, 0.0073490700000000 ] - [ 0.0225213500000000, -0.0172896900000000, -0.0174488100000000 ] - [ -0.0009120200000000, 0.0010972400000000, 0.0010610900000000 ] - [ 0.0000000000000000, -0.0020178200000000, -0.0031705200000000 ] - [ 0.0000000000000000, -0.0009435900000000, -0.0003719300000000 ] - [ -0.0002353900000000, 0.0021086800000000, -0.0000787400000000 ] - [ 0.0018423400000000, -0.0106334800000000, 0.0029146600000000 ] - [ 0.0001772000000000, -0.0012012700000000, -0.0011899800000000 ] - [ -0.0004659100000000, 0.0003102200000000, -0.0003288200000000 ] - [ -0.0006354400000000, -0.0006400400000000, -0.0008324300000000 ] - [ -0.0006251500000000, -0.0004273900000000, -0.0009357200000000 ] - [ 0.0000000000000000, 0.0063267600000000, -0.0074164200000000 ] - [ 0.0000000000000000, -0.0010338900000000, 0.0000655600000000 ] - [ 0.0017479900000000, 0.0005237800000000, -0.0020158000000000 ] - [ 0.0006594400000000, 0.0002197700000000, -0.0008941800000000 ] - [ 0.0002353900000000, 0.0021086800000000, -0.0000787400000000 ] - [ -0.0018423400000000, -0.0106334800000000, 0.0029146600000000 ] - [ -0.0002194400000000, -0.0017956700000000, 0.0009250200000000 ] - [ -0.0036844600000000, 0.0006366200000000, 0.0023610800000000 ] - [ -0.0097176900000000, -0.0066185300000000, -0.0063472900000000 ] - [ -0.0015739100000000, 0.0075538200000000, -0.0023213900000000 ] - [ 0.0000000000000000, 0.0017655500000000, -0.0028808800000000 ] - [ 0.0000000000000000, -0.0007951700000000, -0.0029815300000000 ] - [ -0.0001934300000000, -0.0014975300000000, 0.0051920900000000 ] - [ -0.0003976800000000, -0.0006179700000000, 0.0009684900000000 ] - [ 0.0001934300000000, -0.0014975300000000, 0.0051920900000000 ] - [ 0.0003976800000000, -0.0006179700000000, 0.0009684900000000 ] - [ 0.0000000000000000, -0.0021167500000000, 0.0053203400000000 ] - [ 0.0000000000000000, 0.0011423600000000, 0.0011540100000000 ] - [ 0.0000000000000000, -0.0005209800000000, 0.0034625100000000 ] - [ 0.0000000000000000, -0.0017982000000000, 0.0068448800000000 ] - [ 0.0000000000000000, 0.0000960600000000, 0.0014038200000000 ] - [ 0.0000000000000000, -0.0004187400000000, 0.0022585900000000 ] - [ 0.0002194400000000, -0.0017956700000000, 0.0009250200000000 ] - [ 0.0036844600000000, 0.0006366200000000, 0.0023610800000000 ] - [ 0.0000000000000000, -0.0080109100000000, -0.0121116900000000 ] - [ 0.0000000000000000, 0.0005869400000000, -0.0015858100000000 ] - [ 0.0097176900000000, -0.0066185300000000, -0.0063472900000000 ] - [ 0.0015739100000000, 0.0075538200000000, -0.0023213900000000 ] - [ 0.0000000000000000, 0.0001526900000000, 0.0016728900000000 ] - [ 0.0000000000000000, 0.0004776300000000, 0.0041816600000000 ] - [ -0.0139539500000000, 0.0118985600000000, 0.0103277200000000 ] - [ -0.0015251100000000, -0.0017676100000000, -0.0016632600000000 ] - [ -0.0009390100000000, -0.0012570900000000, -0.0014445700000000 ] - [ -0.0472338300000000, -0.0284678000000000, -0.0579711000000000 ] - [ 0.0139539500000000, 0.0118985600000000, 0.0103277200000000 ] - [ 0.0015251100000000, -0.0017676100000000, -0.0016632600000000 ] - [ 0.0009390100000000, -0.0012570900000000, -0.0014445700000000 ] - [ 0.0472338300000000, -0.0284678000000000, -0.0579711000000000 ] - [ 0.0000798700000000, 0.0010245900000000, 0.0023714900000000 ] - [ 0.0013814000000000, 0.0003601800000000, 0.0035134400000000 ] - [ 0.0000000000000000, -0.0253171200000000, -0.2598360800000000 ] - [ 0.0000000000000000, -0.0001989100000000, -0.0030873900000000 ] - [ 0.0000000000000000, 0.0743885100000000, -0.0806562700000000 ] - [ 0.0000000000000000, 0.0020478300000000, -0.0006643000000000 ] - [ -0.0000798700000000, 0.0010245900000000, 0.0023714900000000 ] - [ -0.0013814000000000, 0.0003601800000000, 0.0035134400000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002189000000000, 0.0009097700000000, 0.0001587500000000 ] - [ -0.0000741200000000, -0.0010872700000000, -0.0001128700000000 ] - [ 0.0078860800000000, 0.0031453600000000, -0.0043139500000000 ] - [ 0.0001073900000000, -0.0006804400000000, 0.0006359500000000 ] - [ -0.0006518100000000, 0.0004881000000000, -0.0002196200000000 ] - [ -0.0000281800000000, -0.0008964900000000, 0.0007564200000000 ] - [ 0.0046639700000000, 0.0013268900000000, 0.0048089700000000 ] - [ 0.0001070600000000, -0.0007916800000000, 0.0000261500000000 ] - [ -0.0038049100000000, -0.0226014400000000, 0.0133521400000000 ] - [ -0.0039471800000000, -0.0017278100000000, -0.0015962500000000 ] - [ 0.0000014100000000, -0.0014345200000000, -0.0004500900000000 ] - [ 0.0002703200000000, -0.0002079500000000, -0.0004364300000000 ] - [ -0.1943411500000000, 0.0991315700000000, 0.0554850200000000 ] - [ 0.0014025100000000, -0.0001903300000000, -0.0005818900000000 ] - [ 0.0000291600000000, -0.0003325700000000, -0.0002454300000000 ] - [ 0.0024494000000000, 0.0006342300000000, 0.0008913500000000 ] - [ -0.0001383900000000, -0.0003835100000000, 0.0000247200000000 ] - [ 0.0004081600000000, 0.0002093600000000, -0.0004384300000000 ] - [ 0.0008979500000000, -0.0004053200000000, -0.0003104600000000 ] - [ 0.0008169400000000, -0.0004957300000000, -0.0003806400000000 ] - [ 0.0003240100000000, 0.0005164600000000, 0.0003383300000000 ] - [ 0.0006340100000000, -0.0006314600000000, -0.0014698800000000 ] - [ -0.0005920700000000, -0.0000485500000000, 0.0016212900000000 ] - [ -0.0006113400000000, -0.0003627700000000, -0.0009577400000000 ] - [ 0.0006033900000000, -0.0001126100000000, -0.0002401700000000 ] - [ 0.0002193500000000, -0.0003747100000000, 0.0004283300000000 ] - [ 0.0000792200000000, -0.0001049000000000, -0.0000334600000000 ] - [ 0.0000498700000000, -0.0008338600000000, -0.0000351600000000 ] - [ -0.0002816100000000, 0.0007374800000000, -0.0005241200000000 ] - [ 0.0000074900000000, 0.0006638000000000, 0.0006566600000000 ] - [ 0.0016707700000000, 0.0011689700000000, 0.0011880000000000 ] - [ -0.0002096300000000, -0.0003164900000000, -0.0003250500000000 ] - [ -0.0002478000000000, -0.0002505800000000, 0.0005493100000000 ] - [ -0.0002148500000000, -0.0003760800000000, 0.0004403400000000 ] - [ -0.0007064600000000, 0.0002660400000000, -0.0005842600000000 ] - [ -0.0002778400000000, 0.0000473700000000, -0.0003771800000000 ] - [ 0.0078406900000000, 0.0056533100000000, 0.0017480600000000 ] - [ -0.0017256300000000, -0.0002452200000000, -0.0007135800000000 ] - [ 0.0006112300000000, -0.0005551700000000, 0.0001865900000000 ] - [ -0.0002928300000000, 0.0001545900000000, -0.0003739600000000 ] - [ 0.0005175100000000, -0.0004021800000000, 0.0003821000000000 ] - [ 0.0000251600000000, 0.0008053900000000, 0.0004622900000000 ] - [ 0.0011450900000000, -0.0011528600000000, -0.0006401300000000 ] - [ -0.0013452200000000, 0.0021777500000000, 0.0001606000000000 ] - [ -0.0026608800000000, 0.0020303900000000, 0.0008873900000000 ] - [ 0.0001019200000000, -0.0002783800000000, -0.0003438900000000 ] - [ -0.0000148300000000, -0.0009490000000000, 0.0000061500000000 ] - [ -0.0000178000000000, -0.0006182400000000, 0.0004872500000000 ] - [ 0.0004008600000000, 0.0018336900000000, -0.0001359500000000 ] - [ 0.0008258300000000, -0.0024555000000000, 0.0006290900000000 ] - [ -0.0000849500000000, -0.0000303700000000, 0.0000841300000000 ] - [ -0.0000467300000000, -0.0008441200000000, -0.0000355900000000 ] - [ -0.0009086400000000, -0.0004028300000000, -0.0003089900000000 ] - [ -0.0008016600000000, -0.0004960800000000, -0.0003701400000000 ] - [ -0.0005152600000000, 0.0013115500000000, -0.0069979800000000 ] - [ -0.0000245900000000, -0.0008904500000000, 0.0008403500000000 ] - [ 0.0006208600000000, 0.0002398000000000, -0.0005550700000000 ] - [ 0.0002616300000000, 0.0000541200000000, -0.0004002300000000 ] - [ -0.0122759900000000, -0.0020477100000000, 0.0045443500000000 ] - [ -0.0005820500000000, -0.0015424800000000, 0.0004288000000000 ] - [ -0.0007220700000000, -0.0001205800000000, -0.0001330300000000 ] - [ -0.0006906400000000, 0.0002301600000000, 0.0011962200000000 ] - [ -0.0063751400000000, -0.0045866400000000, -0.0012470900000000 ] - [ -0.0003269700000000, 0.0019168400000000, -0.0001424500000000 ] - [ -0.0012156400000000, 0.0004294800000000, 0.0018033200000000 ] - [ -0.0000359500000000, -0.0003930700000000, -0.0005623800000000 ] - [ -0.0008981200000000, -0.0003030400000000, -0.0003695100000000 ] - [ -0.0008464700000000, 0.0004413700000000, -0.0003481300000000 ] - [ 0.0006976400000000, -0.0005137600000000, 0.0002263100000000 ] - [ 0.0008406200000000, 0.0004236200000000, -0.0003294400000000 ] - [ 0.0001279500000000, -0.0012342400000000, 0.0041238700000000 ] - [ 0.0000246700000000, 0.0007600900000000, -0.0005582300000000 ] - [ -0.0001827900000000, 0.0004639800000000, 0.0005782800000000 ] - [ -0.0000379000000000, -0.0010834100000000, 0.0007277500000000 ] - [ 0.0000216300000000, -0.0002193200000000, 0.0008305000000000 ] - [ -0.0000417800000000, -0.0007127600000000, -0.0000090700000000 ] - [ 0.0002182400000000, -0.0002772600000000, -0.0014023600000000 ] - [ 0.0006121500000000, 0.0000900400000000, 0.0008783600000000 ] - [ -0.0018575100000000, -0.0031697600000000, -0.0004313100000000 ] - [ -0.0006666200000000, 0.0012316300000000, 0.0002494400000000 ] - [ 0.2044789600000000, -0.1162121900000000, -0.0679403100000000 ] - [ 0.0002749500000000, 0.0011651200000000, -0.0001303800000000 ] - [ 0.0000533500000000, 0.0002025000000000, 0.0001567800000000 ] - [ 0.0000636200000000, 0.0001648500000000, 0.0007509700000000 ] - [ 0.0010455900000000, -0.0015554000000000, 0.0014102100000000 ] - [ 0.0000255900000000, 0.0009668800000000, 0.0000336100000000 ] - [ 0.0032401700000000, 0.0066244400000000, -0.0015325400000000 ] - [ 0.0037044600000000, 0.0040894300000000, -0.0006946300000000 ] - [ -0.0010226300000000, -0.0007163700000000, -0.0008576900000000 ] - [ 0.0000462500000000, 0.0010207400000000, 0.0000257700000000 ] - [ 0.0013756200000000, -0.0006022200000000, -0.0002670400000000 ] - [ -0.0042792300000000, 0.0071952400000000, -0.0016811700000000 ] - [ 0.0000654500000000, 0.0002660700000000, 0.0001056100000000 ] - [ 0.0001148300000000, 0.0010451000000000, -0.0000373700000000 ] - [ 0.0005779800000000, 0.0014781400000000, -0.0051533400000000 ] - [ 0.0005820800000000, 0.0008679400000000, 0.0014680500000000 ] - [ -0.0071580000000000, 0.0204931200000000, 0.0015580600000000 ] - [ 0.0009786000000000, 0.0028543000000000, 0.0000079600000000 ] - [ -0.0000304900000000, 0.0002977100000000, 0.0000638300000000 ] - [ -0.0001183900000000, 0.0010328900000000, -0.0000677300000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002250700000000, -0.0018348100000000, 0.0005258500000000 ] - [ 0.0000762200000000, 0.0001957200000000, 0.0008028600000000 ] - [ -0.0079944500000000, -0.0023717100000000, 0.0050726600000000 ] - [ -0.0001085900000000, 0.0016085300000000, 0.0000375400000000 ] - [ 0.0006654500000000, -0.0005531200000000, 0.0007550900000000 ] - [ 0.0000283900000000, 0.0008522600000000, -0.0002506600000000 ] - [ -0.0046984200000000, -0.0013079200000000, -0.0043390900000000 ] - [ -0.0001088700000000, 0.0008671500000000, 0.0004924300000000 ] - [ 0.0039158400000000, 0.0242578600000000, -0.0147755400000000 ] - [ 0.0040027300000000, 0.0030915500000000, 0.0004967200000000 ] - [ -0.0000011200000000, 0.0001417600000000, -0.0006555300000000 ] - [ -0.0002754100000000, -0.0011119800000000, -0.0006654600000000 ] - [ 0.1845493300000000, -0.0879234500000000, -0.0506179700000000 ] - [ 0.0000702600000000, 0.0012182300000000, -0.0000877200000000 ] - [ -0.0006614200000000, 0.0000861400000000, -0.0005466500000000 ] - [ -0.0031110000000000, -0.0008994400000000, -0.0016947400000000 ] - [ -0.0002231500000000, 0.0000785700000000, -0.0001497300000000 ] - [ -0.0007777700000000, -0.0005220400000000, 0.0003204100000000 ] - [ 0.0005851900000000, -0.0006113400000000, -0.0003627600000000 ] - [ 0.0006681800000000, -0.0005184500000000, -0.0002929700000000 ] - [ 0.0002150200000000, 0.0000023800000000, 0.0003860700000000 ] - [ -0.0001020600000000, 0.0011714700000000, 0.0022361100000000 ] - [ 0.0000558900000000, 0.0005807300000000, -0.0009143300000000 ] - [ 0.0000786200000000, 0.0008979900000000, 0.0017142500000000 ] - [ -0.0000692700000000, -0.0004142600000000, 0.0009879800000000 ] - [ 0.0003205400000000, -0.0001457200000000, 0.0003015900000000 ] - [ 0.0002025300000000, -0.0007595500000000, 0.0000732700000000 ] - [ 0.0002338200000000, -0.0000143600000000, 0.0000745200000000 ] - [ 0.0002864700000000, 0.0006104400000000, 0.0014846300000000 ] - [ -0.0000076600000000, 0.0006856300000000, 0.0002730500000000 ] - [ -0.0013338900000000, -0.0008810600000000, -0.0013336700000000 ] - [ 0.0005769300000000, 0.0006325800000000, 0.0002055400000000 ] - [ -0.0002911100000000, -0.0002733400000000, 0.0001814100000000 ] - [ -0.0003251500000000, -0.0001445900000000, 0.0002899800000000 ] - [ 0.0000868800000000, -0.0000164900000000, -0.0002012800000000 ] - [ -0.0003501500000000, 0.0002070000000000, -0.0004124400000000 ] - [ -0.0094978800000000, -0.0047292200000000, -0.0024588700000000 ] - [ 0.0002565800000000, 0.0012734100000000, 0.0000454900000000 ] - [ -0.0002587900000000, 0.0002537700000000, -0.0003148300000000 ] - [ 0.0006613100000000, -0.0004671100000000, 0.0002555600000000 ] - [ -0.0005244900000000, 0.0012394300000000, 0.0007741000000000 ] - [ -0.0000263500000000, 0.0000134000000000, 0.0006858900000000 ] - [ -0.0005303900000000, 0.0009167400000000, -0.0001447500000000 ] - [ 0.0019929600000000, -0.0024445200000000, -0.0009615100000000 ] - [ 0.0023404300000000, -0.0017652800000000, -0.0010224800000000 ] - [ -0.0004680200000000, 0.0005941200000000, 0.0002247000000000 ] - [ 0.0000145400000000, 0.0001411600000000, 0.0011594400000000 ] - [ 0.0000181200000000, -0.0001946300000000, 0.0006693400000000 ] - [ -0.0001278200000000, -0.0009978800000000, 0.0001741300000000 ] - [ -0.0005561000000000, 0.0033662300000000, -0.0006017000000000 ] - [ -0.0001973000000000, -0.0008334000000000, -0.0000461600000000 ] - [ -0.0002368800000000, -0.0000047400000000, 0.0000748000000000 ] - [ -0.0005761500000000, -0.0006128600000000, -0.0003650500000000 ] - [ -0.0006833200000000, -0.0005186100000000, -0.0003035300000000 ] - [ 0.0005336200000000, -0.0027064500000000, 0.0080529300000000 ] - [ 0.0000249700000000, -0.0004556200000000, 0.0000874700000000 ] - [ 0.0000004100000000, 0.0000106100000000, -0.0002308100000000 ] - [ 0.0003668000000000, 0.0002003600000000, -0.0003887300000000 ] - [ 0.0118655300000000, 0.0032998400000000, -0.0044076400000000 ] - [ 0.0003080900000000, 0.0024359600000000, -0.0003979200000000 ] - [ 0.0006245800000000, -0.0005771100000000, -0.0001101200000000 ] - [ 0.0006016700000000, -0.0009436400000000, -0.0014665500000000 ] - [ 0.0059481600000000, 0.0032718400000000, 0.0011961500000000 ] - [ -0.0002491900000000, -0.0033639600000000, 0.0000599000000000 ] - [ 0.0012332800000000, -0.0010555600000000, -0.0026971400000000 ] - [ 0.0000370600000000, -0.0002172200000000, -0.0002719300000000 ] - [ -0.0004954900000000, 0.0003277700000000, -0.0001852200000000 ] - [ -0.0005472800000000, -0.0004313400000000, -0.0002050500000000 ] - [ 0.0006999700000000, 0.0005421000000000, -0.0007906500000000 ] - [ 0.0005527000000000, -0.0004140400000000, -0.0002223600000000 ] - [ -0.0001328300000000, 0.0018702700000000, -0.0050408500000000 ] - [ -0.0000248400000000, -0.0001620200000000, -0.0002826800000000 ] - [ 0.0001867200000000, -0.0006524300000000, 0.0007593500000000 ] - [ 0.0000393100000000, 0.0009182700000000, 0.0006041900000000 ] - [ -0.0000221600000000, -0.0008135700000000, -0.0005100200000000 ] - [ 0.0000429000000000, -0.0003093200000000, 0.0003492900000000 ] - [ -0.0001161000000000, -0.0004252400000000, 0.0011793200000000 ] - [ -0.0005230900000000, -0.0007997100000000, -0.0011415300000000 ] - [ 0.0018683000000000, 0.0032002100000000, 0.0008455400000000 ] - [ 0.0006768800000000, -0.0012584200000000, 0.0001454600000000 ] - [ -0.1926593800000000, 0.1049257800000000, 0.0624513900000000 ] - [ 0.0003040700000000, -0.0025992000000000, 0.0000472000000000 ] - [ -0.0000546800000000, -0.0002083700000000, 0.0002389000000000 ] - [ -0.0000650300000000, -0.0001658200000000, -0.0003686900000000 ] - [ -0.0011628300000000, 0.0022975700000000, -0.0016868400000000 ] - [ -0.0001253900000000, -0.0002776000000000, -0.0002819300000000 ] - [ -0.0046605400000000, -0.0067069100000000, 0.0009798300000000 ] - [ -0.0051667400000000, -0.0041780700000000, 0.0001563500000000 ] - [ 0.0011387200000000, 0.0014396200000000, 0.0006237500000000 ] - [ 0.0000528700000000, -0.0003314100000000, -0.0002738100000000 ] - [ 0.0000117600000000, 0.0005873700000000, -0.0002793100000000 ] - [ 0.0057518400000000, -0.0073335800000000, 0.0011625100000000 ] - [ 0.0005130100000000, 0.0011422800000000, -0.0001984100000000 ] - [ 0.0004659300000000, 0.0003474000000000, -0.0000473600000000 ] - [ -0.0005929800000000, -0.0013074000000000, 0.0065934000000000 ] - [ -0.0005905700000000, -0.0007048000000000, -0.0001400500000000 ] - [ 0.0073363500000000, -0.0201325800000000, -0.0013248100000000 ] - [ -0.0009911000000000, -0.0018685000000000, 0.0003343500000000 ] - [ -0.0005474500000000, 0.0011104400000000, -0.0001546600000000 ] - [ -0.0004621400000000, 0.0003598500000000, -0.0000182000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002883100000000, -0.0015583400000000, 0.0001827200000000 ] - [ -0.0000287400000000, 0.0001399800000000, 0.0007568800000000 ] - [ -0.0034987400000000, -0.0050313700000000, 0.0042910200000000 ] - [ 0.0000133900000000, 0.0016931900000000, 0.0001426100000000 ] - [ 0.0004491900000000, -0.0006189900000000, 0.0011846300000000 ] - [ 0.0000019500000000, 0.0008167000000000, -0.0002079300000000 ] - [ -0.0019642100000000, -0.0022850600000000, -0.0024188500000000 ] - [ -0.0000033100000000, 0.0008518600000000, 0.0004540700000000 ] - [ -0.0053203200000000, 0.0219758700000000, -0.0090373600000000 ] - [ 0.0028049200000000, 0.0045175900000000, 0.0001414000000000 ] - [ 0.0000078600000000, 0.0000684600000000, -0.0006869200000000 ] - [ -0.0001166500000000, -0.0010778900000000, -0.0004780200000000 ] - [ 0.0913284200000000, -0.1298879500000000, -0.0264445100000000 ] - [ 0.0000344900000000, 0.0012485200000000, -0.0000820900000000 ] - [ -0.0002581600000000, 0.0001439900000000, -0.0003899600000000 ] - [ -0.0014600100000000, -0.0004306800000000, -0.0007392000000000 ] - [ -0.0001609100000000, 0.0000209000000000, -0.0001413400000000 ] - [ -0.0005695400000000, -0.0003932600000000, 0.0002199500000000 ] - [ 0.0006366900000000, -0.0006014100000000, -0.0003327700000000 ] - [ 0.0007290500000000, -0.0004771800000000, -0.0003188200000000 ] - [ 0.0004155100000000, 0.0001513700000000, -0.0000611300000000 ] - [ -0.0000020200000000, 0.0009153500000000, 0.0016966000000000 ] - [ -0.0003201200000000, 0.0009806300000000, -0.0009614900000000 ] - [ 0.0000057000000000, 0.0009769800000000, 0.0019204300000000 ] - [ 0.0000955400000000, -0.0002254200000000, 0.0006509100000000 ] - [ 0.0003171100000000, -0.0001445900000000, 0.0002949000000000 ] - [ 0.0001370000000000, -0.0008570800000000, 0.0000305100000000 ] - [ 0.0002374500000000, -0.0000010800000000, 0.0000729400000000 ] - [ 0.0001501600000000, 0.0005413800000000, 0.0013626700000000 ] - [ -0.0000057400000000, 0.0006532500000000, 0.0001855600000000 ] - [ -0.0011510700000000, -0.0010298600000000, -0.0011387800000000 ] - [ 0.0006058400000000, 0.0006419600000000, 0.0002418200000000 ] - [ -0.0002444800000000, -0.0003115200000000, 0.0003084700000000 ] - [ -0.0003153700000000, -0.0001454600000000, 0.0002952200000000 ] - [ -0.0000481400000000, 0.0000166600000000, -0.0002564400000000 ] - [ -0.0003705000000000, 0.0002223000000000, -0.0004150300000000 ] - [ -0.0059615200000000, -0.0065184500000000, -0.0034822500000000 ] - [ 0.0000203700000000, 0.0011928000000000, -0.0000513600000000 ] - [ -0.0003877700000000, 0.0002418200000000, -0.0003239500000000 ] - [ 0.0006147600000000, -0.0004024800000000, 0.0002552000000000 ] - [ -0.0002372000000000, 0.0009959100000000, 0.0006611000000000 ] - [ -0.0000032700000000, 0.0006224400000000, 0.0002396000000000 ] - [ -0.0006023300000000, 0.0005307000000000, -0.0000223400000000 ] - [ 0.0020741300000000, 0.0000310300000000, -0.0010761900000000 ] - [ 0.0014133100000000, -0.0013466900000000, -0.0014926500000000 ] - [ -0.0005444300000000, 0.0006239800000000, 0.0002514500000000 ] - [ -0.0000462900000000, -0.0000677900000000, 0.0009808800000000 ] - [ 0.0000202800000000, -0.0001892200000000, 0.0006750600000000 ] - [ 0.0005794100000000, -0.0000573700000000, 0.0001573700000000 ] - [ -0.0003536600000000, 0.0023844600000000, -0.0003559000000000 ] - [ -0.0001380400000000, -0.0008817300000000, -0.0000297600000000 ] - [ -0.0002376700000000, -0.0000020200000000, 0.0000748800000000 ] - [ -0.0006352100000000, -0.0006031700000000, -0.0003486300000000 ] - [ -0.0007287000000000, -0.0004806900000000, -0.0003168300000000 ] - [ 0.0004045300000000, -0.0026693000000000, 0.0061520500000000 ] - [ 0.0000140800000000, -0.0004646000000000, 0.0001077500000000 ] - [ 0.0000800200000000, 0.0000280100000000, -0.0002781700000000 ] - [ 0.0003866100000000, 0.0002123100000000, -0.0003888000000000 ] - [ -0.0258823400000000, 0.0228662500000000, 0.0080025000000000 ] - [ 0.0004525500000000, 0.0025398300000000, -0.0004189400000000 ] - [ -0.0000453700000000, -0.0002416900000000, 0.0001603000000000 ] - [ 0.0004360500000000, -0.0008367200000000, -0.0011009400000000 ] - [ 0.0062998400000000, 0.0041188000000000, 0.0020197400000000 ] - [ -0.0003537500000000, -0.0025894700000000, -0.0000209000000000 ] - [ 0.0007316600000000, -0.0009855400000000, -0.0023224800000000 ] - [ 0.0000003800000000, -0.0006423700000000, -0.0000133200000000 ] - [ -0.0006345600000000, 0.0003865000000000, -0.0002934700000000 ] - [ -0.0005726300000000, -0.0004221300000000, -0.0002074100000000 ] - [ 0.0007206100000000, 0.0004692600000000, -0.0005610600000000 ] - [ 0.0005735800000000, -0.0004131200000000, -0.0002213100000000 ] - [ -0.0000920800000000, 0.0017705100000000, -0.0039105000000000 ] - [ -0.0000140800000000, -0.0001631900000000, -0.0002877200000000 ] - [ 0.0002193400000000, -0.0006524600000000, 0.0008234100000000 ] - [ -0.0000438200000000, 0.0006829000000000, 0.0005128200000000 ] - [ -0.0000119400000000, -0.0007853200000000, -0.0004256200000000 ] - [ 0.0000170300000000, -0.0003695900000000, 0.0003600700000000 ] - [ 0.0004510800000000, -0.0004941800000000, 0.0011518800000000 ] - [ -0.0004602600000000, -0.0008772400000000, -0.0012515800000000 ] - [ -0.0001963600000000, 0.0014537100000000, 0.0009702000000000 ] - [ 0.0005053400000000, -0.0011174200000000, -0.0000288900000000 ] - [ -0.0778750200000000, 0.1050808300000000, 0.0256429600000000 ] - [ 0.0002355500000000, -0.0026891200000000, 0.0000331800000000 ] - [ -0.0000607100000000, -0.0002345600000000, 0.0002235100000000 ] - [ -0.0000107500000000, -0.0000747600000000, -0.0001956300000000 ] - [ -0.0008641600000000, 0.0020731300000000, -0.0007492600000000 ] - [ -0.0000481700000000, -0.0003168000000000, -0.0002885700000000 ] - [ -0.0009195800000000, -0.0040993000000000, -0.0002846900000000 ] - [ -0.0024600100000000, -0.0040577000000000, -0.0002179200000000 ] - [ 0.0008858800000000, 0.0016176900000000, 0.0004089700000000 ] - [ -0.0000004100000000, -0.0003451400000000, -0.0003087700000000 ] - [ 0.0000512000000000, -0.0004447900000000, -0.0001893700000000 ] - [ 0.0031931500000000, -0.0041336500000000, 0.0000021900000000 ] - [ 0.0003416700000000, 0.0011825000000000, -0.0003259700000000 ] - [ 0.0004291800000000, 0.0003319600000000, -0.0000220100000000 ] - [ 0.0003995000000000, -0.0007609700000000, 0.0051338800000000 ] - [ -0.0003941300000000, -0.0008153500000000, -0.0001172900000000 ] - [ 0.0181152500000000, -0.0007586500000000, -0.0035086200000000 ] - [ -0.0004732700000000, -0.0014458700000000, 0.0003821000000000 ] - [ -0.0003711100000000, 0.0011839300000000, -0.0002375900000000 ] - [ -0.0004263200000000, 0.0003295100000000, -0.0000290800000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002877300000000, 0.0006458400000000, 0.0005009500000000 ] - [ 0.0000286900000000, -0.0010417800000000, -0.0000727100000000 ] - [ 0.0034084400000000, 0.0058818100000000, -0.0035650200000000 ] - [ -0.0000112000000000, -0.0007791200000000, 0.0005325700000000 ] - [ -0.0004415800000000, 0.0005607400000000, -0.0006602300000000 ] - [ -0.0000021200000000, -0.0008701400000000, 0.0007179300000000 ] - [ 0.0019177100000000, 0.0023291400000000, 0.0028832100000000 ] - [ 0.0000042200000000, -0.0007867300000000, 0.0000631700000000 ] - [ 0.0051710900000000, -0.0203698400000000, 0.0078138600000000 ] - [ -0.0028165700000000, -0.0032138100000000, -0.0012678300000000 ] - [ -0.0000070600000000, -0.0013637700000000, -0.0004278800000000 ] - [ 0.0001143300000000, -0.0002376400000000, -0.0006411800000000 ] - [ -0.0955389000000000, 0.1321457500000000, 0.0277930100000000 ] - [ 0.0014444000000000, -0.0002278100000000, -0.0005899700000000 ] - [ -0.0003810200000000, -0.0003961500000000, -0.0004043600000000 ] - [ 0.0008154600000000, 0.0001738200000000, -0.0000564800000000 ] - [ -0.0002017600000000, -0.0003278600000000, 0.0000177700000000 ] - [ 0.0002027500000000, 0.0000807500000000, -0.0003397300000000 ] - [ 0.0008452000000000, -0.0004159000000000, -0.0003407900000000 ] - [ 0.0007533200000000, -0.0005400300000000, -0.0003545600000000 ] - [ 0.0001217400000000, 0.0003696900000000, 0.0007927500000000 ] - [ 0.0005392200000000, -0.0003889900000000, -0.0009584300000000 ] - [ -0.0002130800000000, -0.0004584600000000, 0.0016951500000000 ] - [ -0.0005427400000000, -0.0004485600000000, -0.0011743300000000 ] - [ 0.0004418500000000, -0.0002986500000000, 0.0000877300000000 ] - [ 0.0002232900000000, -0.0003753100000000, 0.0004313700000000 ] - [ 0.0001461200000000, 0.0000002900000000, 0.0000080500000000 ] - [ 0.0000461300000000, -0.0008488000000000, -0.0000341700000000 ] - [ -0.0001461100000000, 0.0008070400000000, -0.0004174900000000 ] - [ 0.0000054900000000, 0.0006957500000000, 0.0007445500000000 ] - [ 0.0015021300000000, 0.0013272100000000, 0.0010067300000000 ] - [ -0.0002426700000000, -0.0003304600000000, -0.0003634900000000 ] - [ -0.0002958200000000, -0.0002105900000000, 0.0004190300000000 ] - [ -0.0002250400000000, -0.0003744900000000, 0.0004312200000000 ] - [ -0.0005807100000000, 0.0002363600000000, -0.0005335000000000 ] - [ -0.0002632400000000, 0.0000337500000000, -0.0003771000000000 ] - [ 0.0044190100000000, 0.0074510600000000, 0.0027528100000000 ] - [ -0.0015008400000000, -0.0001726400000000, -0.0006212100000000 ] - [ 0.0007505600000000, -0.0005497200000000, 0.0002003500000000 ] - [ -0.0002464100000000, 0.0000890900000000, -0.0003739100000000 ] - [ 0.0002310900000000, -0.0001650200000000, 0.0004964400000000 ] - [ 0.0000035000000000, 0.0001940700000000, 0.0009135600000000 ] - [ 0.0012432200000000, -0.0007770800000000, -0.0007744500000000 ] - [ -0.0014173800000000, -0.0002923600000000, 0.0002749700000000 ] - [ -0.0017546300000000, 0.0016296800000000, 0.0013640200000000 ] - [ 0.0001811100000000, -0.0003120900000000, -0.0003732900000000 ] - [ 0.0000452200000000, -0.0007447400000000, 0.0001779500000000 ] - [ -0.0000203000000000, -0.0006242300000000, 0.0004817500000000 ] - [ -0.0003025600000000, 0.0009066400000000, -0.0001176100000000 ] - [ 0.0006332100000000, -0.0015218400000000, 0.0003924200000000 ] - [ -0.0001455600000000, 0.0000254700000000, 0.0000669400000000 ] - [ -0.0000459700000000, -0.0008479400000000, -0.0000361800000000 ] - [ -0.0008477800000000, -0.0004135700000000, -0.0003251700000000 ] - [ -0.0007536800000000, -0.0005368000000000, -0.0003565000000000 ] - [ -0.0003866400000000, 0.0012998400000000, -0.0051561800000000 ] - [ -0.0000142100000000, -0.0008837200000000, 0.0008238700000000 ] - [ 0.0005497600000000, 0.0002256800000000, -0.0005121400000000 ] - [ 0.0002469700000000, 0.0000440100000000, -0.0004030400000000 ] - [ 0.0261829800000000, -0.0226547800000000, -0.0081655500000000 ] - [ -0.0007285500000000, -0.0016641400000000, 0.0004518200000000 ] - [ -0.0000428300000000, -0.0004596800000000, -0.0004039700000000 ] - [ -0.0005274700000000, 0.0001370800000000, 0.0008502600000000 ] - [ -0.0068181100000000, -0.0054531900000000, -0.0020830000000000 ] - [ -0.0002315000000000, 0.0011852800000000, -0.0000676200000000 ] - [ -0.0007179300000000, 0.0003742800000000, 0.0014498800000000 ] - [ -0.0000003200000000, 0.0000397600000000, -0.0008244200000000 ] - [ -0.0007672200000000, -0.0003623200000000, -0.0002599800000000 ] - [ -0.0008277200000000, 0.0004370300000000, -0.0003464000000000 ] - [ 0.0006830100000000, -0.0004442200000000, 0.0000023300000000 ] - [ 0.0008269500000000, 0.0004276600000000, -0.0003309200000000 ] - [ 0.0000893100000000, -0.0011566900000000, 0.0030315000000000 ] - [ 0.0000144100000000, 0.0007603100000000, -0.0005538200000000 ] - [ -0.0002193600000000, 0.0004672100000000, 0.0005182500000000 ] - [ 0.0000431200000000, -0.0008518100000000, 0.0008298400000000 ] - [ 0.0000110700000000, -0.0002518800000000, 0.0007515600000000 ] - [ -0.0000163200000000, -0.0006576300000000, -0.0000212000000000 ] - [ -0.0003620200000000, -0.0002043900000000, -0.0013907500000000 ] - [ 0.0005504900000000, 0.0001759200000000, 0.0009967600000000 ] - [ 0.0001995800000000, -0.0014309200000000, -0.0005574700000000 ] - [ -0.0005068200000000, 0.0011105900000000, 0.0004426900000000 ] - [ 0.0833554500000000, -0.1073448500000000, -0.0273293300000000 ] - [ 0.0003451400000000, 0.0012746100000000, -0.0001186700000000 ] - [ 0.0000605600000000, 0.0002225700000000, 0.0001862600000000 ] - [ 0.0000102100000000, 0.0000688200000000, 0.0005978100000000 ] - [ 0.0007611100000000, -0.0013543800000000, 0.0004854800000000 ] - [ -0.0000487800000000, 0.0010082500000000, 0.0000468600000000 ] - [ -0.0005056300000000, 0.0040994500000000, -0.0002599700000000 ] - [ 0.0010399900000000, 0.0039879800000000, -0.0003338700000000 ] - [ -0.0007814900000000, -0.0009094700000000, -0.0006449900000000 ] - [ 0.0000974500000000, 0.0010376400000000, 0.0000670400000000 ] - [ 0.0013577100000000, 0.0004282000000000, -0.0003641200000000 ] - [ -0.0017791900000000, 0.0041015800000000, -0.0005539400000000 ] - [ 0.0002451400000000, 0.0002156000000000, 0.0002359600000000 ] - [ 0.0001568100000000, 0.0010609000000000, -0.0000651000000000 ] - [ -0.0003953000000000, 0.0009402000000000, -0.0037446700000000 ] - [ 0.0003937800000000, 0.0009912000000000, 0.0014624400000000 ] - [ -0.0176501000000000, 0.0018970700000000, 0.0037147900000000 ] - [ 0.0004753000000000, 0.0024670500000000, -0.0000446600000000 ] - [ -0.0002146100000000, 0.0002141100000000, 0.0001471700000000 ] - [ -0.0001601600000000, 0.0010631600000000, -0.0000594700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000944500000000, -0.0011451200000000, 0.0013854500000000 ] - [ 0.0000143800000000, -0.0001850100000000, 0.0005932500000000 ] - [ -0.0046363000000000, 0.0009647700000000, 0.0025341500000000 ] - [ -0.0000492600000000, 0.0008204700000000, 0.0001407600000000 ] - [ 0.0005575300000000, 0.0002348300000000, 0.0014243500000000 ] - [ 0.0000114800000000, 0.0000787000000000, 0.0002424700000000 ] - [ 0.0017573600000000, -0.0013329500000000, -0.0001752000000000 ] - [ -0.0000349000000000, 0.0002919400000000, 0.0002844200000000 ] - [ 0.0042148700000000, 0.0055636400000000, -0.0086015100000000 ] - [ 0.0011187400000000, 0.0017382800000000, -0.0006764200000000 ] - [ 0.0000014600000000, -0.0004644700000000, -0.0000616300000000 ] - [ -0.0003090700000000, -0.0009803900000000, 0.0000424500000000 ] - [ 0.0538458900000000, -0.0267220600000000, -0.0512878400000000 ] - [ 0.0004948300000000, 0.0007623600000000, -0.0002604300000000 ] - [ -0.0004162300000000, 0.0000069800000000, -0.0004193500000000 ] - [ -0.0014218400000000, -0.0003522400000000, -0.0010182500000000 ] - [ -0.0003397000000000, -0.0002631900000000, 0.0000690400000000 ] - [ -0.0003734100000000, -0.0002422500000000, 0.0000703100000000 ] - [ 0.0007671300000000, -0.0005124500000000, -0.0002774700000000 ] - [ 0.0006999000000000, -0.0005242600000000, -0.0002943800000000 ] - [ 0.0002027900000000, 0.0000080000000000, -0.0001193200000000 ] - [ 0.0001678200000000, 0.0005336700000000, 0.0009819000000000 ] - [ -0.0000924200000000, -0.0004286200000000, -0.0004872100000000 ] - [ -0.0001862500000000, 0.0005513300000000, 0.0006971100000000 ] - [ 0.0000954500000000, -0.0006421700000000, 0.0015426400000000 ] - [ 0.0002678700000000, -0.0002533300000000, 0.0004433900000000 ] - [ 0.0001814200000000, -0.0004797600000000, 0.0001863200000000 ] - [ 0.0001568200000000, -0.0003368300000000, 0.0000469100000000 ] - [ -0.0001281400000000, 0.0008379900000000, 0.0007078600000000 ] - [ -0.0000092400000000, 0.0006561400000000, 0.0004721600000000 ] - [ 0.0000411600000000, -0.0002215800000000, -0.0002966000000000 ] - [ 0.0003612000000000, 0.0003468400000000, 0.0000385300000000 ] - [ -0.0002862300000000, -0.0003652700000000, 0.0006400400000000 ] - [ -0.0002704300000000, -0.0002517300000000, 0.0004382200000000 ] - [ -0.0000265000000000, 0.0000316100000000, -0.0001972500000000 ] - [ -0.0003074300000000, 0.0001571600000000, -0.0003378200000000 ] - [ -0.0028437200000000, -0.0026221400000000, -0.0022747400000000 ] - [ -0.0003614900000000, 0.0007935100000000, -0.0002067900000000 ] - [ 0.0005151000000000, -0.0002586900000000, 0.0000855700000000 ] - [ 0.0003551800000000, -0.0001932100000000, 0.0000849000000000 ] - [ -0.0000267000000000, 0.0005337400000000, 0.0006444700000000 ] - [ -0.0000359500000000, 0.0002735500000000, 0.0005383100000000 ] - [ 0.0000942500000000, 0.0002580700000000, -0.0002694900000000 ] - [ 0.0008499900000000, -0.0008281500000000, -0.0010452900000000 ] - [ 0.0008234300000000, -0.0016197000000000, 0.0007194000000000 ] - [ -0.0003268700000000, 0.0003310400000000, 0.0000442200000000 ] - [ 0.0000675100000000, 0.0001796600000000, 0.0010182800000000 ] - [ 0.0000010900000000, -0.0003767000000000, 0.0006379800000000 ] - [ 0.0001625300000000, 0.0002848400000000, -0.0000447200000000 ] - [ -0.0001362000000000, 0.0015813900000000, -0.0003010700000000 ] - [ -0.0001647100000000, -0.0005603500000000, 0.0001114800000000 ] - [ -0.0001578500000000, -0.0003340800000000, 0.0000466900000000 ] - [ -0.0007683600000000, -0.0004973500000000, -0.0002650200000000 ] - [ -0.0007096700000000, -0.0005265800000000, -0.0002978900000000 ] - [ -0.0018954400000000, 0.0001440400000000, 0.0028620600000000 ] - [ 0.0000057100000000, -0.0006070300000000, 0.0002573300000000 ] - [ 0.0001187900000000, 0.0000692600000000, -0.0002344600000000 ] - [ 0.0003060900000000, 0.0001603000000000, -0.0003372600000000 ] - [ 0.0035317000000000, 0.0021109300000000, -0.0022739000000000 ] - [ 0.0000437400000000, 0.0011534900000000, -0.0001509900000000 ] - [ -0.0000305500000000, 0.0002129400000000, -0.0000982400000000 ] - [ 0.0001602700000000, -0.0005606100000000, -0.0005744700000000 ] - [ 0.0026780700000000, 0.0016284100000000, 0.0011875600000000 ] - [ -0.0002627600000000, -0.0017477100000000, 0.0000836000000000 ] - [ -0.0000821000000000, -0.0002632300000000, -0.0000226400000000 ] - [ 0.0000269200000000, -0.0002474000000000, -0.0003488000000000 ] - [ -0.0006066200000000, 0.0002058700000000, -0.0005683600000000 ] - [ -0.0007080900000000, -0.0000683800000000, -0.0004266600000000 ] - [ 0.0008082900000000, 0.0004443000000000, -0.0011654100000000 ] - [ 0.0007056200000000, -0.0000648400000000, -0.0004214800000000 ] - [ 0.0005014800000000, -0.0000199300000000, -0.0018179700000000 ] - [ -0.0000030000000000, 0.0001708300000000, -0.0003594200000000 ] - [ -0.0000579500000000, 0.0000290300000000, 0.0003060200000000 ] - [ 0.0000613200000000, 0.0001474900000000, 0.0002319000000000 ] - [ 0.0000078500000000, -0.0006732300000000, -0.0000891800000000 ] - [ 0.0000418100000000, -0.0004296800000000, 0.0000732100000000 ] - [ -0.0004318700000000, 0.0003873100000000, -0.0000606300000000 ] - [ -0.0001317800000000, -0.0005666500000000, -0.0004112500000000 ] - [ 0.0008689000000000, 0.0010975700000000, 0.0010154200000000 ] - [ 0.0001765500000000, -0.0004167400000000, 0.0001471900000000 ] - [ -0.0619550200000000, 0.0333338200000000, 0.0406948500000000 ] - [ 0.0002978900000000, -0.0013874300000000, 0.0000479800000000 ] - [ 0.0000040200000000, -0.0000361800000000, 0.0000015900000000 ] - [ -0.0000585800000000, -0.0002058600000000, -0.0002737900000000 ] - [ -0.0000479200000000, 0.0013459700000000, -0.0021306700000000 ] - [ -0.0000006700000000, 0.0001738400000000, -0.0002222500000000 ] - [ -0.0020132500000000, -0.0022851300000000, 0.0005531900000000 ] - [ -0.0019003300000000, -0.0015857500000000, 0.0004738700000000 ] - [ 0.0002019000000000, 0.0006936700000000, -0.0001203100000000 ] - [ -0.0000202500000000, 0.0001532900000000, -0.0002144300000000 ] - [ 0.0004444000000000, 0.0000498700000000, 0.0000756600000000 ] - [ 0.0025509200000000, -0.0033395000000000, 0.0004108700000000 ] - [ 0.0002109700000000, 0.0009219700000000, -0.0006159900000000 ] - [ 0.0003349300000000, 0.0006103000000000, -0.0001384200000000 ] - [ -0.0011811200000000, 0.0009429200000000, 0.0033854700000000 ] - [ -0.0001714900000000, -0.0003138400000000, 0.0005991300000000 ] - [ 0.0050769700000000, -0.0066804900000000, 0.0133565700000000 ] - [ -0.0003365100000000, -0.0004199900000000, 0.0003548600000000 ] - [ -0.0002538000000000, 0.0008189500000000, -0.0006061400000000 ] - [ -0.0003298600000000, 0.0006133100000000, -0.0001325200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000935600000000, 0.0002315300000000, -0.0007049500000000 ] - [ -0.0000134500000000, -0.0007167100000000, 0.0000836100000000 ] - [ 0.0047023700000000, -0.0000923500000000, -0.0018161400000000 ] - [ 0.0000491900000000, 0.0000896700000000, 0.0005417700000000 ] - [ -0.0005654700000000, -0.0003029700000000, -0.0009140300000000 ] - [ -0.0000116500000000, -0.0001327300000000, 0.0002713600000000 ] - [ -0.0017332300000000, 0.0013909700000000, 0.0006857400000000 ] - [ 0.0000342300000000, -0.0002306100000000, 0.0002272000000000 ] - [ -0.0041367200000000, -0.0042721600000000, 0.0075374700000000 ] - [ -0.0011022500000000, -0.0004102500000000, -0.0004216200000000 ] - [ -0.0000011700000000, -0.0008439100000000, -0.0010536900000000 ] - [ 0.0003145100000000, -0.0003210800000000, -0.0011584600000000 ] - [ -0.0520998400000000, 0.0274795900000000, 0.0488278300000000 ] - [ 0.0009875600000000, 0.0002554800000000, -0.0004128500000000 ] - [ -0.0002143100000000, -0.0002576100000000, -0.0003712100000000 ] - [ 0.0007878000000000, 0.0000965300000000, 0.0002253400000000 ] - [ -0.0000206200000000, -0.0000441700000000, -0.0001936500000000 ] - [ 0.0000136300000000, -0.0000643400000000, -0.0001956400000000 ] - [ 0.0007141800000000, -0.0005052200000000, -0.0003960700000000 ] - [ 0.0007856000000000, -0.0004898900000000, -0.0003801000000000 ] - [ 0.0003372200000000, 0.0005131600000000, 0.0008422000000000 ] - [ 0.0003719800000000, -0.0000117800000000, -0.0002509600000000 ] - [ -0.0004501100000000, 0.0009444000000000, 0.0012011000000000 ] - [ -0.0003537500000000, -0.0000293300000000, 0.0000289000000000 ] - [ 0.0004466000000000, 0.0001232800000000, -0.0008291000000000 ] - [ 0.0002715300000000, -0.0002687100000000, 0.0002869600000000 ] - [ 0.0001011600000000, -0.0003755200000000, -0.0001486200000000 ] - [ 0.0001258400000000, -0.0005165600000000, -0.0000088100000000 ] - [ 0.0001297000000000, 0.0005096200000000, 0.0002329100000000 ] - [ 0.0000093800000000, 0.0006947500000000, 0.0004636700000000 ] - [ 0.0003134400000000, 0.0005277500000000, 0.0001701800000000 ] - [ 0.0000028800000000, -0.0000355700000000, -0.0001596300000000 ] - [ -0.0002520700000000, -0.0001569300000000, 0.0000902300000000 ] - [ -0.0002692400000000, -0.0002701200000000, 0.0002916600000000 ] - [ -0.0006039200000000, 0.0002227200000000, -0.0005930100000000 ] - [ -0.0003218100000000, 0.0000957700000000, -0.0004528100000000 ] - [ 0.0013640400000000, 0.0036136000000000, 0.0015997000000000 ] - [ -0.0011197000000000, 0.0002247300000000, -0.0004660000000000 ] - [ -0.0001509300000000, -0.0000500800000000, -0.0002084900000000 ] - [ 0.0000045700000000, -0.0001130000000000, -0.0002100400000000 ] - [ 0.0000228400000000, 0.0002880200000000, 0.0005184700000000 ] - [ 0.0000362600000000, 0.0005409300000000, 0.0006195900000000 ] - [ 0.0005299400000000, -0.0005044300000000, -0.0005187700000000 ] - [ -0.0002225600000000, 0.0005651000000000, 0.0002590400000000 ] - [ -0.0011897900000000, 0.0019470300000000, -0.0008551400000000 ] - [ -0.0000365600000000, -0.0000201700000000, -0.0001655500000000 ] - [ -0.0000667400000000, -0.0009887800000000, 0.0001382300000000 ] - [ -0.0000011700000000, -0.0004423000000000, 0.0005144300000000 ] - [ 0.0001181800000000, 0.0005728200000000, 0.0000823100000000 ] - [ 0.0004170600000000, -0.0007225200000000, 0.0003379600000000 ] - [ -0.0001181400000000, -0.0002944600000000, -0.0000727600000000 ] - [ -0.0001249100000000, -0.0005194800000000, -0.0000087100000000 ] - [ -0.0007124100000000, -0.0005211500000000, -0.0004084200000000 ] - [ -0.0007757600000000, -0.0004877100000000, -0.0003766100000000 ] - [ 0.0018604100000000, -0.0014764500000000, -0.0019077200000000 ] - [ -0.0000056900000000, -0.0007418700000000, 0.0006738700000000 ] - [ 0.0005099300000000, 0.0001846700000000, -0.0005549600000000 ] - [ 0.0003230100000000, 0.0000929200000000, -0.0004532700000000 ] - [ -0.0038731500000000, -0.0012018100000000, 0.0022782800000000 ] - [ -0.0003267600000000, -0.0002995300000000, 0.0001897400000000 ] - [ -0.0000691000000000, -0.0009085400000000, -0.0001415200000000 ] - [ -0.0002589400000000, -0.0001397300000000, 0.0003311900000000 ] - [ -0.0032327100000000, -0.0030059600000000, -0.0012637500000000 ] - [ -0.0003189300000000, 0.0003456500000000, -0.0001696400000000 ] - [ 0.0000837000000000, -0.0003408600000000, -0.0008480200000000 ] - [ -0.0000268600000000, -0.0003561800000000, -0.0004968100000000 ] - [ -0.0007944600000000, -0.0001870000000000, 0.0000141600000000 ] - [ -0.0006906100000000, 0.0000887500000000, -0.0001291300000000 ] - [ 0.0005893000000000, -0.0004297400000000, 0.0006222400000000 ] - [ 0.0006932100000000, 0.0000845200000000, -0.0001325300000000 ] - [ -0.0004923700000000, 0.0006166300000000, 0.0009679000000000 ] - [ 0.0000032100000000, 0.0004352700000000, -0.0004799300000000 ] - [ 0.0000572600000000, -0.0002096000000000, 0.0010367100000000 ] - [ -0.0000624700000000, -0.0003324200000000, 0.0011141500000000 ] - [ -0.0000077500000000, -0.0003540700000000, 0.0004208800000000 ] - [ -0.0000424500000000, -0.0006039800000000, 0.0002624100000000 ] - [ 0.0005270200000000, -0.0010768500000000, -0.0001776000000000 ] - [ 0.0002303600000000, -0.0001337600000000, 0.0001712200000000 ] - [ -0.0008663300000000, -0.0010853800000000, -0.0006203400000000 ] - [ -0.0001730600000000, 0.0004117600000000, 0.0002513600000000 ] - [ 0.0621571100000000, -0.0343689600000000, -0.0392026000000000 ] - [ 0.0002842900000000, -0.0000110700000000, -0.0001336500000000 ] - [ -0.0000039400000000, 0.0000316300000000, 0.0004047300000000 ] - [ 0.0000592400000000, 0.0001990900000000, 0.0006733200000000 ] - [ -0.0000555800000000, -0.0006570800000000, 0.0019162500000000 ] - [ -0.0000976900000000, 0.0005201900000000, -0.0000242500000000 ] - [ 0.0006035200000000, 0.0022298300000000, -0.0010981800000000 ] - [ 0.0004962700000000, 0.0015748100000000, -0.0010319600000000 ] - [ -0.0001003700000000, 0.0000074600000000, -0.0001260100000000 ] - [ 0.0001179300000000, 0.0005402200000000, -0.0000312200000000 ] - [ 0.0009531100000000, -0.0000735600000000, -0.0006262300000000 ] - [ -0.0011555200000000, 0.0033201300000000, -0.0009717000000000 ] - [ 0.0003724100000000, 0.0004771200000000, 0.0005313800000000 ] - [ 0.0002450800000000, 0.0007847100000000, 0.0000537700000000 ] - [ 0.0011827400000000, -0.0007770300000000, -0.0020472000000000 ] - [ 0.0001693300000000, 0.0004933200000000, 0.0007349200000000 ] - [ -0.0050316800000000, 0.0076168800000000, -0.0128557400000000 ] - [ 0.0003325100000000, 0.0014385800000000, -0.0000171600000000 ] - [ -0.0003303000000000, 0.0005809300000000, 0.0005197200000000 ] - [ -0.0002511800000000, 0.0007814600000000, 0.0000468700000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008295800000000, -0.0000858000000000, 0.0015868100000000 ] - [ 0.0000055200000000, -0.0006582900000000, 0.0005597500000000 ] - [ -0.0007590700000000, -0.0007180500000000, -0.0010503000000000 ] - [ -0.0018266300000000, 0.0090766200000000, 0.0033586400000000 ] - [ 0.0002299800000000, 0.0002788300000000, -0.0001164500000000 ] - [ 0.0001629000000000, 0.0003620800000000, 0.0003578000000000 ] - [ -0.0007229400000000, 0.0005763900000000, 0.0004434400000000 ] - [ -0.0003191600000000, 0.0006792000000000, -0.0009985200000000 ] - [ 0.0001931900000000, 0.0018759600000000, -0.0010797100000000 ] - [ 0.0328920100000000, -0.0118263300000000, -0.0081257800000000 ] - [ -0.0001892500000000, -0.0007216500000000, 0.0008960500000000 ] - [ -0.0000531300000000, -0.0002139100000000, -0.0002084300000000 ] - [ 0.0010891000000000, 0.0005724600000000, -0.0004390200000000 ] - [ 0.0035490500000000, -0.0006382500000000, -0.0014546100000000 ] - [ -0.2058089900000000, -0.0526686000000000, -0.0842546900000000 ] - [ -0.0002917600000000, 0.0000660400000000, -0.0004311700000000 ] - [ -0.0016464400000000, -0.0013410700000000, 0.0006027100000000 ] - [ -0.0001218600000000, 0.0000082200000000, -0.0001119000000000 ] - [ 0.0003432100000000, -0.0007778400000000, -0.0000464400000000 ] - [ 0.0007807100000000, -0.0004543400000000, -0.0003309800000000 ] - [ -0.0023071800000000, 0.0026548100000000, 0.0086968200000000 ] - [ 0.0002357500000000, 0.0003266400000000, 0.0004592700000000 ] - [ 0.0004260300000000, 0.0001708800000000, 0.0004052600000000 ] - [ -0.0002312900000000, 0.0003367400000000, 0.0003970200000000 ] - [ 0.0002851200000000, -0.0002675800000000, 0.0004387900000000 ] - [ 0.0001231400000000, -0.0004955400000000, 0.0014052300000000 ] - [ 0.0001764500000000, -0.0002922800000000, 0.0001089400000000 ] - [ 0.0001822400000000, -0.0004304900000000, 0.0001204000000000 ] - [ -0.0000256300000000, 0.0011820300000000, 0.0019996200000000 ] - [ -0.0000030000000000, 0.0007243700000000, 0.0007599000000000 ] - [ 0.0001823300000000, 0.0002822800000000, -0.0001940600000000 ] - [ -0.0016368300000000, -0.0011291300000000, -0.0013662600000000 ] - [ -0.0003201100000000, -0.0002538000000000, 0.0003697700000000 ] - [ -0.0003216300000000, -0.0002889600000000, 0.0009831000000000 ] - [ -0.0003021900000000, 0.0001775300000000, -0.0003416500000000 ] - [ 0.0001071900000000, -0.0000447500000000, -0.0002226200000000 ] - [ 0.0001031300000000, 0.0014418500000000, -0.0001181400000000 ] - [ -0.0024359000000000, -0.0012489100000000, -0.0008828900000000 ] - [ 0.0004688600000000, -0.0005035600000000, 0.0000669200000000 ] - [ 0.0001232400000000, 0.0000086600000000, -0.0001041900000000 ] - [ -0.0005064900000000, -0.0072382500000000, 0.0072685800000000 ] - [ -0.0000020300000000, 0.0007056400000000, 0.0003038900000000 ] - [ 0.0301730400000000, 0.0042170800000000, 0.0080628300000000 ] - [ 0.0002219000000000, -0.0000170500000000, -0.0003970800000000 ] - [ -0.0001007300000000, 0.0001949200000000, -0.0001651200000000 ] - [ 0.0032357600000000, -0.0013097800000000, -0.0007389500000000 ] - [ -0.0000297200000000, -0.0001425700000000, 0.0008068100000000 ] - [ 0.0000965300000000, -0.0004437700000000, 0.0007956400000000 ] - [ -0.0031606200000000, 0.0075817300000000, -0.0015360000000000 ] - [ 0.0003227200000000, 0.0009348100000000, -0.0000307600000000 ] - [ -0.0001960600000000, -0.0002164500000000, 0.0000965100000000 ] - [ -0.0001760800000000, -0.0004648400000000, 0.0000805900000000 ] - [ -0.0004311700000000, -0.0007458500000000, -0.0001407800000000 ] - [ -0.0007962900000000, -0.0004387700000000, -0.0003293800000000 ] - [ 0.0000560100000000, -0.0004781200000000, 0.0004357000000000 ] - [ 0.0001218100000000, -0.0010955300000000, 0.0016471500000000 ] - [ 0.0003174200000000, 0.0001844800000000, -0.0003482500000000 ] - [ -0.0000006600000000, -0.0000559800000000, -0.0001787800000000 ] - [ 0.0008373300000000, 0.0004400200000000, -0.0004112900000000 ] - [ -0.0002054600000000, 0.0013171200000000, -0.0000093800000000 ] - [ 0.0020254700000000, -0.0016853800000000, -0.0056209800000000 ] - [ 0.0002030900000000, -0.0006137700000000, -0.0001303500000000 ] - [ 0.0015568600000000, -0.0051125000000000, 0.0008446000000000 ] - [ 0.0014465100000000, -0.0016031000000000, 0.0007329700000000 ] - [ 0.0005072300000000, 0.0045232000000000, -0.0039693100000000 ] - [ 0.0000451500000000, -0.0009040700000000, -0.0005330700000000 ] - [ -0.0006095500000000, -0.0002105800000000, -0.0003507400000000 ] - [ -0.0005599600000000, 0.0002183200000000, -0.0008327900000000 ] - [ 0.0006550200000000, -0.0001422300000000, -0.0004003100000000 ] - [ 0.0006999900000000, 0.0003622300000000, -0.0011667100000000 ] - [ -0.0000704400000000, -0.0001356500000000, -0.0006761700000000 ] - [ -0.0001024300000000, 0.0007009300000000, -0.0012589700000000 ] - [ 0.0006110200000000, 0.0007647600000000, -0.0003515900000000 ] - [ -0.0000036000000000, -0.0004191800000000, 0.0004660200000000 ] - [ 0.0000687800000000, -0.0005158600000000, -0.0010162000000000 ] - [ 0.0000155900000000, -0.0008249500000000, -0.0001120900000000 ] - [ -0.0005540700000000, -0.0001254700000000, -0.0003199000000000 ] - [ -0.0001619800000000, -0.0005668700000000, -0.0000985200000000 ] - [ 0.0001512000000000, -0.0004707100000000, 0.0004275700000000 ] - [ 0.1863642200000000, 0.0586075300000000, 0.0810007300000000 ] - [ -0.0001610400000000, -0.0005979500000000, 0.0005095800000000 ] - [ -0.0019974100000000, -0.0022831100000000, 0.0013003400000000 ] - [ -0.0002056600000000, 0.0002977100000000, -0.0002996000000000 ] - [ -0.0000072300000000, -0.0002496200000000, 0.0000375100000000 ] - [ -0.0003285900000000, 0.0004727900000000, -0.0000911000000000 ] - [ -0.0036442600000000, -0.0001360400000000, -0.0022585600000000 ] - [ -0.0141542400000000, 0.0015201600000000, 0.0012086800000000 ] - [ -0.0010208100000000, -0.0008715900000000, -0.0001546700000000 ] - [ 0.0003109100000000, 0.0004087900000000, 0.0001356900000000 ] - [ 0.0023587700000000, 0.0002724800000000, -0.0008564300000000 ] - [ -0.0185688600000000, -0.0089650200000000, -0.0091041900000000 ] - [ 0.0008512200000000, -0.0005984900000000, -0.0001928300000000 ] - [ 0.0005586200000000, 0.0006062000000000, -0.0005448200000000 ] - [ 0.0003187700000000, 0.0007034100000000, -0.0001975100000000 ] - [ -0.0000632100000000, -0.0002062200000000, 0.0010074000000000 ] - [ -0.0043739500000000, 0.0027269300000000, 0.0056141500000000 ] - [ -0.0005726000000000, -0.0005302800000000, 0.0004187600000000 ] - [ -0.0036008900000000, 0.0055339200000000, -0.0000633600000000 ] - [ -0.0005980900000000, 0.0007228800000000, -0.0002312800000000 ] - [ -0.0003324900000000, 0.0006551200000000, -0.0002223100000000 ]- atom: 15 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008120900000000, -0.0008106700000000, -0.0008793400000000 ] - [ -0.0000046000000000, -0.0002491400000000, 0.0001241900000000 ] - [ 0.0007476700000000, 0.0016056800000000, 0.0016978200000000 ] - [ 0.0018300800000000, -0.0079818000000000, -0.0025978300000000 ] - [ -0.0002272000000000, -0.0003356400000000, 0.0006267700000000 ] - [ -0.0001623700000000, -0.0004115100000000, 0.0001603800000000 ] - [ 0.0007096300000000, -0.0005010500000000, 0.0000766500000000 ] - [ 0.0003194300000000, -0.0006098800000000, 0.0014835200000000 ] - [ -0.0001917700000000, -0.0005394000000000, -0.0000464100000000 ] - [ -0.0322093800000000, 0.0128538000000000, 0.0068378600000000 ] - [ 0.0001883000000000, -0.0005908200000000, -0.0019767800000000 ] - [ 0.0000524300000000, -0.0010831500000000, -0.0008979500000000 ] - [ 0.0003954500000000, 0.0004482400000000, -0.0002348500000000 ] - [ -0.0020152000000000, 0.0016362200000000, 0.0007579900000000 ] - [ 0.2169859000000000, 0.0595573600000000, 0.0928559000000000 ] - [ -0.0003389900000000, -0.0003159500000000, -0.0003605500000000 ] - [ 0.0012531100000000, 0.0010044200000000, -0.0007117500000000 ] - [ -0.0002388400000000, -0.0003139200000000, -0.0000126500000000 ] - [ 0.0011324200000000, -0.0002438700000000, -0.0006215300000000 ] - [ 0.0007040600000000, -0.0005604100000000, -0.0003427900000000 ] - [ 0.0027893800000000, -0.0020927700000000, -0.0077882500000000 ] - [ 0.0003032200000000, 0.0001963200000000, 0.0002683200000000 ] - [ -0.0009593500000000, 0.0003506500000000, 0.0003241700000000 ] - [ -0.0003081000000000, 0.0001855900000000, 0.0003293900000000 ] - [ 0.0002547900000000, -0.0002540400000000, 0.0002908000000000 ] - [ 0.0004131600000000, -0.0000320600000000, -0.0006574100000000 ] - [ 0.0001068400000000, -0.0005583900000000, -0.0000690300000000 ] - [ 0.0001012600000000, -0.0004231000000000, -0.0000804900000000 ] - [ 0.0000249200000000, 0.0001737100000000, -0.0010405000000000 ] - [ 0.0000028000000000, 0.0006263600000000, 0.0001798800000000 ] - [ 0.0001804600000000, 0.0000299100000000, 0.0000687100000000 ] - [ 0.0019488800000000, 0.0014192600000000, 0.0012316000000000 ] - [ -0.0002206300000000, -0.0002674500000000, 0.0003586600000000 ] - [ -0.0002164600000000, -0.0002377400000000, -0.0002349100000000 ] - [ -0.0003296000000000, 0.0000780000000000, -0.0004480800000000 ] - [ -0.0007317400000000, 0.0002958800000000, -0.0005654100000000 ] - [ -0.0015695000000000, -0.0004050800000000, -0.0005514700000000 ] - [ 0.0009064400000000, 0.0022416500000000, 0.0001926800000000 ] - [ -0.0001003100000000, 0.0001863800000000, -0.0001835600000000 ] - [ 0.0002381800000000, -0.0003151200000000, -0.0000196900000000 ] - [ 0.0005271100000000, 0.0079183200000000, -0.0060155400000000 ] - [ 0.0000019700000000, 0.0001178000000000, 0.0008450100000000 ] - [ -0.0301672800000000, -0.0048076000000000, -0.0092774100000000 ] - [ 0.0004081100000000, -0.0002349100000000, -0.0003941000000000 ] - [ -0.0002608400000000, 0.0001157300000000, 0.0000400500000000 ] - [ -0.0035353800000000, 0.0015965300000000, 0.0006099900000000 ] - [ 0.0000290100000000, -0.0006668100000000, 0.0003535500000000 ] - [ -0.0000950700000000, -0.0003743400000000, 0.0003624300000000 ] - [ 0.0033714500000000, -0.0066030400000000, 0.0015304800000000 ] - [ -0.0000392100000000, -0.0000629400000000, 0.0000666900000000 ] - [ -0.0000881000000000, -0.0006319300000000, -0.0000568300000000 ] - [ -0.0001073000000000, -0.0003900900000000, -0.0000410800000000 ] - [ -0.0010470500000000, -0.0002749200000000, -0.0005293200000000 ] - [ -0.0006878900000000, -0.0005766300000000, -0.0003441200000000 ] - [ -0.0000550600000000, -0.0008666400000000, 0.0004944200000000 ] - [ -0.0001207100000000, -0.0002609900000000, -0.0006962900000000 ] - [ 0.0003144800000000, 0.0000714500000000, -0.0004414200000000 ] - [ 0.0006262300000000, 0.0003068600000000, -0.0006078400000000 ] - [ -0.0011105600000000, 0.0004201900000000, 0.0004401500000000 ] - [ -0.0000776700000000, -0.0004465000000000, 0.0000469900000000 ] - [ -0.0020782500000000, 0.0009654700000000, 0.0052619000000000 ] - [ -0.0002965200000000, -0.0000877900000000, -0.0001108200000000 ] - [ -0.0021066800000000, 0.0036320800000000, -0.0009107000000000 ] - [ -0.0019972700000000, 0.0001728900000000, -0.0008017400000000 ] - [ -0.0005053700000000, -0.0050352400000000, 0.0030725900000000 ] - [ -0.0000450400000000, 0.0002903900000000, -0.0003112600000000 ] - [ -0.0007908400000000, 0.0002254400000000, -0.0002053100000000 ] - [ -0.0008410100000000, -0.0001906700000000, 0.0002614100000000 ] - [ 0.0007463100000000, 0.0001576100000000, -0.0001550300000000 ] - [ 0.0007015800000000, -0.0003336300000000, 0.0005944900000000 ] - [ 0.0000692200000000, 0.0007263800000000, -0.0001707900000000 ] - [ 0.0001010300000000, -0.0000915200000000, 0.0004044400000000 ] - [ -0.0005994100000000, -0.0009256500000000, 0.0016704100000000 ] - [ 0.0000035700000000, 0.0002299900000000, 0.0008731400000000 ] - [ -0.0000679200000000, -0.0005141500000000, 0.0013291500000000 ] - [ -0.0000150400000000, -0.0002133500000000, 0.0004411500000000 ] - [ 0.0006404600000000, -0.0005666000000000, 0.0000729500000000 ] - [ 0.0002538500000000, -0.0001328600000000, -0.0001407800000000 ] - [ -0.0001491600000000, 0.0004645700000000, -0.0000142600000000 ] - [ -0.1974004900000000, -0.0649972300000000, -0.0892545300000000 ] - [ 0.0007424900000000, -0.0008015200000000, -0.0005864900000000 ] - [ 0.0025409000000000, 0.0008573200000000, -0.0013628400000000 ] - [ 0.0002018100000000, -0.0002983900000000, 0.0006999200000000 ] - [ 0.0000069300000000, 0.0002395400000000, 0.0003648600000000 ] - [ 0.0002282300000000, 0.0002266200000000, -0.0001504800000000 ] - [ 0.0034931500000000, 0.0008239700000000, 0.0019772000000000 ] - [ 0.0125835700000000, -0.0014666600000000, -0.0016852500000000 ] - [ -0.0003872500000000, 0.0008332800000000, -0.0003970900000000 ] - [ -0.0002109600000000, 0.0002888000000000, -0.0003730000000000 ] - [ -0.0022230200000000, 0.0004194300000000, 0.0005858300000000 ] - [ 0.0194846500000000, 0.0085199700000000, 0.0081329500000000 ] - [ 0.0005562400000000, 0.0005609200000000, -0.0003565400000000 ] - [ 0.0000297700000000, 0.0007865800000000, 0.0004462500000000 ] - [ 0.0002643600000000, 0.0006921700000000, 0.0001070000000000 ] - [ 0.0000621000000000, 0.0003799800000000, 0.0003425100000000 ] - [ 0.0043016100000000, -0.0024903500000000, -0.0041689800000000 ] - [ 0.0005637700000000, 0.0015355300000000, -0.0000775100000000 ] - [ 0.0035431100000000, -0.0044017200000000, 0.0003977400000000 ] - [ 0.0000087500000000, 0.0006725900000000, 0.0001380800000000 ] - [ -0.0002521600000000, 0.0007398100000000, 0.0001295500000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003407300000000, -0.0003643500000000, 0.0009381300000000 ] - [ -0.0000164300000000, -0.0003992300000000, 0.0002370000000000 ] - [ -0.0005173300000000, 0.0012481700000000, -0.0006158200000000 ] - [ 0.0036175200000000, 0.0047245500000000, 0.0038778700000000 ] - [ 0.0001567400000000, 0.0000188800000000, -0.0000111800000000 ] - [ -0.0001271000000000, 0.0002329100000000, 0.0003860400000000 ] - [ -0.0003699300000000, 0.0006637400000000, 0.0008507200000000 ] - [ 0.0004244600000000, 0.0007883500000000, -0.0011568100000000 ] - [ -0.0003299600000000, 0.0021181700000000, -0.0007025100000000 ] - [ 0.0079196300000000, -0.0097508600000000, -0.0066300100000000 ] - [ 0.0000982000000000, -0.0013239000000000, -0.0001562800000000 ] - [ -0.0000272100000000, -0.0001326300000000, -0.0004621400000000 ] - [ 0.0005324300000000, 0.0007788300000000, -0.0002046400000000 ] - [ 0.0015153100000000, 0.0002069600000000, -0.0005654100000000 ] - [ -0.0556996200000000, -0.0694979700000000, -0.0485401300000000 ] - [ -0.0001273500000000, 0.0001312800000000, -0.0003404800000000 ] - [ -0.0008221000000000, -0.0007975100000000, 0.0004073500000000 ] - [ -0.0000145000000000, 0.0000878000000000, -0.0001972800000000 ] - [ 0.0005999100000000, -0.0006192500000000, -0.0002411500000000 ] - [ 0.0008215000000000, -0.0004146300000000, -0.0003675700000000 ] - [ -0.0004573800000000, 0.0014248000000000, 0.0035528200000000 ] - [ 0.0002292400000000, 0.0004135300000000, 0.0004330700000000 ] - [ -0.0002482900000000, 0.0001617100000000, 0.0003184100000000 ] - [ -0.0002429100000000, 0.0003805400000000, 0.0005539900000000 ] - [ 0.0002950600000000, -0.0002002600000000, 0.0002669500000000 ] - [ 0.0003597400000000, -0.0002780600000000, 0.0007282000000000 ] - [ 0.0001726200000000, -0.0002683000000000, 0.0000748000000000 ] - [ 0.0001386300000000, -0.0005492800000000, -0.0000148100000000 ] - [ 0.0001061800000000, 0.0004769400000000, 0.0002658900000000 ] - [ -0.0000107600000000, 0.0007124500000000, 0.0006644300000000 ] - [ 0.0002959900000000, 0.0003319300000000, -0.0000550600000000 ] - [ -0.0012090500000000, -0.0003987400000000, 0.0002048300000000 ] - [ -0.0003146500000000, -0.0001974000000000, 0.0002244400000000 ] - [ -0.0000974000000000, -0.0005987900000000, 0.0010161500000000 ] - [ -0.0003666500000000, 0.0001982600000000, -0.0003894900000000 ] - [ -0.0001461000000000, 0.0000218600000000, -0.0003444000000000 ] - [ 0.0002985000000000, 0.0011642700000000, 0.0000462600000000 ] - [ -0.0030426800000000, 0.0006669100000000, -0.0010312800000000 ] - [ 0.0003697600000000, -0.0004406700000000, 0.0001555600000000 ] - [ 0.0000394600000000, 0.0000818700000000, -0.0001889900000000 ] - [ -0.0034980100000000, -0.0035647100000000, -0.0004956900000000 ] - [ 0.0000222800000000, 0.0006940400000000, 0.0004241400000000 ] - [ -0.0041252700000000, -0.0083478700000000, -0.0104822800000000 ] - [ 0.0002083100000000, 0.0000174300000000, -0.0003684400000000 ] - [ -0.0002608700000000, 0.0002829000000000, -0.0000377900000000 ] - [ 0.0008786800000000, -0.0000978200000000, -0.0001787300000000 ] - [ -0.0000142600000000, -0.0001843400000000, 0.0007271800000000 ] - [ 0.0000317800000000, -0.0006124500000000, 0.0005521600000000 ] - [ 0.0014101300000000, 0.0048382600000000, 0.0003003300000000 ] - [ -0.0000445000000000, 0.0019510100000000, -0.0001546900000000 ] - [ -0.0001788500000000, -0.0002455000000000, 0.0000671500000000 ] - [ -0.0001423800000000, -0.0005270600000000, 0.0000211500000000 ] - [ -0.0006259400000000, -0.0006087700000000, -0.0002788700000000 ] - [ -0.0008160400000000, -0.0004240000000000, -0.0003709200000000 ] - [ 0.0000225400000000, -0.0005765400000000, 0.0004957000000000 ] - [ -0.0000003800000000, -0.0008458000000000, 0.0006992700000000 ] - [ 0.0003734300000000, 0.0002022300000000, -0.0003945100000000 ] - [ 0.0001354300000000, -0.0000058300000000, -0.0003056900000000 ] - [ -0.0004400700000000, 0.0003924300000000, -0.0001102900000000 ] - [ -0.0000524700000000, 0.0008521500000000, -0.0001232700000000 ] - [ 0.0006330000000000, -0.0008612700000000, -0.0024057800000000 ] - [ 0.0001171400000000, -0.0007364300000000, -0.0000008900000000 ] - [ -0.0008253800000000, -0.0029385900000000, -0.0002841200000000 ] - [ 0.0008887900000000, -0.0033710100000000, 0.0005590600000000 ] - [ 0.0010210500000000, 0.0025445300000000, -0.0005354700000000 ] - [ -0.0000851500000000, -0.0006803600000000, -0.0005864600000000 ] - [ -0.0006279000000000, -0.0002523700000000, -0.0002084600000000 ] - [ -0.0007949900000000, 0.0004149000000000, -0.0007433300000000 ] - [ 0.0006489600000000, -0.0002256200000000, -0.0002392300000000 ] - [ 0.0007125700000000, 0.0003103000000000, -0.0005427800000000 ] - [ -0.0000249600000000, 0.0000268400000000, -0.0005925000000000 ] - [ -0.0000307000000000, 0.0005417000000000, -0.0004965400000000 ] - [ 0.0002078500000000, 0.0006361700000000, 0.0003239500000000 ] - [ -0.0000123400000000, -0.0005363600000000, 0.0006545900000000 ] - [ -0.0000016300000000, -0.0001422500000000, 0.0002399700000000 ] - [ 0.0000021900000000, -0.0008437400000000, -0.0000027600000000 ] - [ -0.0000630700000000, -0.0001081800000000, -0.0002392800000000 ] - [ -0.0001731700000000, -0.0007794500000000, -0.0000938900000000 ] - [ 0.0000153900000000, -0.0005405000000000, 0.0002716400000000 ] - [ 0.0739249500000000, 0.0655838900000000, 0.0591084100000000 ] - [ 0.0007260100000000, -0.0010243700000000, -0.0000441900000000 ] - [ -0.0004543600000000, -0.0006673100000000, 0.0000785800000000 ] - [ -0.0000523900000000, 0.0003062900000000, 0.0000358100000000 ] - [ -0.0000006900000000, -0.0002593700000000, 0.0001661600000000 ] - [ -0.0000282700000000, 0.0001757500000000, -0.0000250800000000 ] - [ -0.0009076400000000, 0.0001990400000000, -0.0002329200000000 ] - [ -0.0089633700000000, 0.0028783800000000, 0.0027830600000000 ] - [ -0.0007980200000000, -0.0005975400000000, -0.0003436600000000 ] - [ 0.0000302300000000, 0.0001597800000000, 0.0001195500000000 ] - [ 0.0008473300000000, 0.0003874700000000, -0.0014027700000000 ] - [ -0.0123691000000000, 0.0101650100000000, -0.0016876900000000 ] - [ 0.0011593100000000, -0.0012823400000000, -0.0002493100000000 ] - [ 0.0003964000000000, 0.0006111800000000, -0.0002403000000000 ] - [ 0.0002749200000000, 0.0006813500000000, -0.0000406400000000 ] - [ 0.0000205700000000, -0.0003251200000000, 0.0007060800000000 ] - [ -0.0011672000000000, 0.0019328600000000, 0.0028935800000000 ] - [ -0.0002927700000000, -0.0006898200000000, 0.0001746700000000 ] - [ -0.0002941900000000, 0.0039509100000000, 0.0002796700000000 ] - [ -0.0004228100000000, 0.0006540300000000, -0.0001004700000000 ] - [ -0.0002643200000000, 0.0007089300000000, -0.0000296200000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003384000000000, -0.0005411800000000, -0.0002557200000000 ] - [ 0.0000175700000000, -0.0005050300000000, 0.0004472800000000 ] - [ 0.0005113300000000, -0.0003428600000000, 0.0012829100000000 ] - [ -0.0036944700000000, -0.0038223300000000, -0.0032771200000000 ] - [ -0.0001559000000000, -0.0000812500000000, 0.0005255400000000 ] - [ 0.0001308200000000, -0.0002848500000000, 0.0001269900000000 ] - [ 0.0003663500000000, -0.0006039500000000, -0.0003309500000000 ] - [ -0.0004314700000000, -0.0007246800000000, 0.0016811500000000 ] - [ 0.0003377000000000, -0.0008105100000000, -0.0004212400000000 ] - [ -0.0079044200000000, 0.0110291300000000, 0.0054037300000000 ] - [ -0.0001011700000000, 0.0000147800000000, -0.0009524800000000 ] - [ 0.0000274500000000, -0.0011738200000000, -0.0006483800000000 ] - [ 0.0009519700000000, 0.0002364700000000, -0.0004688900000000 ] - [ -0.0000193800000000, 0.0008105200000000, -0.0001153100000000 ] - [ 0.0563548100000000, 0.0677493700000000, 0.0486602500000000 ] - [ -0.0005054400000000, -0.0003859300000000, -0.0004519200000000 ] - [ 0.0004564500000000, 0.0004855600000000, -0.0005296600000000 ] - [ -0.0003488200000000, -0.0003974600000000, 0.0000751600000000 ] - [ 0.0008817200000000, -0.0003981400000000, -0.0004314800000000 ] - [ 0.0006627900000000, -0.0006006400000000, -0.0003058100000000 ] - [ 0.0009932400000000, -0.0008973000000000, -0.0028156700000000 ] - [ 0.0003101400000000, 0.0001078300000000, 0.0002981700000000 ] - [ -0.0002892400000000, 0.0003591400000000, 0.0004083300000000 ] - [ -0.0002962200000000, 0.0001415500000000, 0.0001755700000000 ] - [ 0.0002444800000000, -0.0003215100000000, 0.0004617300000000 ] - [ 0.0001773800000000, -0.0002481900000000, 0.0000123600000000 ] - [ 0.0001099300000000, -0.0005857200000000, -0.0000362100000000 ] - [ 0.0001439700000000, -0.0003039600000000, 0.0000548100000000 ] - [ -0.0001060100000000, 0.0008735500000000, 0.0006705700000000 ] - [ 0.0000108500000000, 0.0006379200000000, 0.0002675800000000 ] - [ 0.0000653400000000, -0.0000232000000000, -0.0000697000000000 ] - [ 0.0015692500000000, 0.0007160900000000, -0.0003280000000000 ] - [ -0.0002252800000000, -0.0003241500000000, 0.0005034800000000 ] - [ -0.0004461300000000, 0.0000795100000000, -0.0002852400000000 ] - [ -0.0002644200000000, 0.0000564600000000, -0.0004016700000000 ] - [ -0.0004832100000000, 0.0002319200000000, -0.0004461400000000 ] - [ -0.0017713900000000, -0.0001453400000000, -0.0007156400000000 ] - [ 0.0015800200000000, 0.0003421000000000, 0.0003630700000000 ] - [ -0.0000061300000000, 0.0001302800000000, -0.0002786700000000 ] - [ 0.0003229600000000, -0.0003911200000000, 0.0000666700000000 ] - [ 0.0035230300000000, 0.0043418400000000, 0.0016582300000000 ] - [ -0.0000226300000000, 0.0001235200000000, 0.0007281500000000 ] - [ 0.0048944300000000, 0.0079556600000000, 0.0098382700000000 ] - [ 0.0004223000000000, -0.0002720400000000, -0.0004228500000000 ] - [ -0.0000996400000000, 0.0000250100000000, -0.0000869400000000 ] - [ -0.0012190700000000, 0.0004059300000000, 0.0000608500000000 ] - [ 0.0000141700000000, -0.0006308000000000, 0.0004287500000000 ] - [ -0.0000317000000000, -0.0002008300000000, 0.0006054000000000 ] - [ -0.0010951900000000, -0.0039216700000000, -0.0002558000000000 ] - [ 0.0003286800000000, -0.0011160200000000, 0.0001942000000000 ] - [ -0.0001038000000000, -0.0006084000000000, -0.0000287600000000 ] - [ -0.0001406900000000, -0.0003252500000000, 0.0000178700000000 ] - [ -0.0008559400000000, -0.0004087400000000, -0.0003939400000000 ] - [ -0.0006698100000000, -0.0005903400000000, -0.0003028700000000 ] - [ -0.0000224000000000, -0.0007731100000000, 0.0004391600000000 ] - [ 0.0000009300000000, -0.0005040700000000, 0.0002368700000000 ] - [ 0.0002576100000000, 0.0000527200000000, -0.0003963700000000 ] - [ 0.0004948600000000, 0.0002602500000000, -0.0004849000000000 ] - [ 0.0001541900000000, 0.0004577800000000, 0.0001483500000000 ] - [ -0.0002287500000000, 0.0000032700000000, 0.0001625000000000 ] - [ -0.0007272000000000, 0.0001627400000000, 0.0021581500000000 ] - [ -0.0002129300000000, 0.0000392800000000, -0.0002447000000000 ] - [ 0.0002328800000000, 0.0015211800000000, 0.0001936600000000 ] - [ -0.0014798700000000, 0.0020109800000000, -0.0006503000000000 ] - [ -0.0010273900000000, -0.0031307200000000, -0.0003096300000000 ] - [ 0.0000871300000000, 0.0000759800000000, -0.0002492900000000 ] - [ -0.0007737300000000, 0.0002721300000000, -0.0003465700000000 ] - [ -0.0006035800000000, -0.0003949300000000, 0.0001861000000000 ] - [ 0.0007529800000000, 0.0002453500000000, -0.0003146500000000 ] - [ 0.0006893200000000, -0.0002882000000000, -0.0000193300000000 ] - [ 0.0000251500000000, 0.0005757900000000, -0.0002510000000000 ] - [ 0.0000309100000000, 0.0000584700000000, -0.0003485000000000 ] - [ -0.0002065000000000, -0.0008165700000000, 0.0010148000000000 ] - [ 0.0000121600000000, 0.0003553800000000, 0.0006846500000000 ] - [ 0.0000024900000000, -0.0008862600000000, 0.0000939900000000 ] - [ -0.0000023200000000, -0.0001879200000000, 0.0003388300000000 ] - [ 0.0001584300000000, -0.0005856800000000, -0.0000013800000000 ] - [ 0.0002698200000000, 0.0000828600000000, -0.0001496300000000 ] - [ -0.0000135700000000, 0.0005425000000000, 0.0001348800000000 ] - [ -0.0750756900000000, -0.0641714400000000, -0.0596367900000000 ] - [ -0.0001394200000000, -0.0003697400000000, -0.0000417400000000 ] - [ 0.0010349500000000, -0.0007372300000000, -0.0001560100000000 ] - [ 0.0000512800000000, -0.0003126500000000, 0.0003699200000000 ] - [ 0.0000005400000000, 0.0002544900000000, 0.0002378400000000 ] - [ -0.0000690200000000, 0.0005245800000000, -0.0002160100000000 ] - [ 0.0007852000000000, 0.0004776600000000, -0.0000451100000000 ] - [ 0.0075210600000000, -0.0028845100000000, -0.0033291900000000 ] - [ -0.0006056500000000, 0.0005750500000000, -0.0002103000000000 ] - [ 0.0000663500000000, 0.0005390600000000, -0.0003580900000000 ] - [ -0.0007430700000000, 0.0002980900000000, 0.0011665800000000 ] - [ 0.0135701300000000, -0.0099718400000000, 0.0011497200000000 ] - [ 0.0002366800000000, 0.0012737600000000, -0.0003045200000000 ] - [ 0.0001885100000000, 0.0007855800000000, 0.0001515400000000 ] - [ 0.0003087600000000, 0.0007132500000000, -0.0000485500000000 ] - [ -0.0000219500000000, 0.0005058500000000, 0.0006427400000000 ] - [ 0.0011589200000000, -0.0017492100000000, -0.0015359600000000 ] - [ 0.0002861200000000, 0.0017171700000000, 0.0001616100000000 ] - [ 0.0002734300000000, -0.0029123100000000, 0.0000654900000000 ] - [ -0.0001623600000000, 0.0007429400000000, 0.0000110400000000 ] - [ -0.0003185200000000, 0.0006853800000000, -0.0000599000000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003551200000000, -0.0001841100000000, 0.0011627800000000 ] - [ -0.0000328700000000, -0.0005617700000000, 0.0006778900000000 ] - [ -0.0002468600000000, -0.0007557500000000, -0.0007126200000000 ] - [ 0.0008285300000000, 0.0041170500000000, 0.0019302000000000 ] - [ -0.0000253100000000, -0.0002143700000000, 0.0004046000000000 ] - [ -0.0001731300000000, 0.0002533200000000, 0.0003992600000000 ] - [ -0.0003121500000000, 0.0005678200000000, 0.0003996000000000 ] - [ -0.0004089400000000, -0.0007275300000000, 0.0000049300000000 ] - [ 0.0000988700000000, 0.0010540300000000, -0.0010453600000000 ] - [ 0.0102892100000000, -0.0075409600000000, -0.0082864300000000 ] - [ 0.0002342800000000, -0.0004116500000000, 0.0010667200000000 ] - [ -0.0000291000000000, -0.0006159600000000, -0.0000594700000000 ] - [ 0.0008914800000000, 0.0005174400000000, -0.0003613700000000 ] - [ 0.0020387900000000, 0.0001666800000000, -0.0009616800000000 ] - [ -0.0867226700000000, -0.0477199500000000, -0.1002141700000000 ] - [ -0.0003529200000000, -0.0000707900000000, -0.0004521800000000 ] - [ -0.0006736900000000, -0.0004545900000000, 0.0006823300000000 ] - [ -0.0002201100000000, -0.0002020700000000, 0.0000029300000000 ] - [ 0.0005503900000000, -0.0006476400000000, -0.0001397500000000 ] - [ 0.0007592400000000, -0.0004903100000000, -0.0002799300000000 ] - [ 0.0007864500000000, 0.0014815600000000, 0.0028335600000000 ] - [ 0.0002736800000000, 0.0002260800000000, 0.0002204200000000 ] - [ -0.0004152200000000, 0.0002776700000000, 0.0001500700000000 ] - [ -0.0002754300000000, 0.0002263200000000, 0.0001608700000000 ] - [ 0.0002593200000000, -0.0003293300000000, 0.0005439900000000 ] - [ 0.0002648300000000, -0.0003452300000000, 0.0007119900000000 ] - [ 0.0001368800000000, -0.0004393100000000, 0.0000802100000000 ] - [ 0.0001575300000000, -0.0003921700000000, 0.0001019400000000 ] - [ -0.0000085400000000, 0.0012669200000000, 0.0019606200000000 ] - [ 0.0000126900000000, 0.0007188000000000, 0.0006500000000000 ] - [ 0.0001003600000000, 0.0001325700000000, -0.0002047300000000 ] - [ -0.0016502800000000, 0.0004057100000000, 0.0003449900000000 ] - [ -0.0002750300000000, -0.0003217000000000, 0.0005115200000000 ] - [ -0.0001275400000000, -0.0005247800000000, 0.0012901500000000 ] - [ -0.0002656100000000, 0.0001220300000000, -0.0003328000000000 ] - [ -0.0001465100000000, 0.0000762100000000, -0.0002753800000000 ] - [ -0.0004930400000000, 0.0008873200000000, -0.0002125700000000 ] - [ -0.0013102000000000, -0.0001652400000000, -0.0009924000000000 ] - [ 0.0001925900000000, -0.0002363400000000, 0.0002126400000000 ] - [ 0.0002413300000000, -0.0002168400000000, 0.0000162600000000 ] - [ 0.0041524000000000, -0.0035910500000000, 0.0067063000000000 ] - [ -0.0000181900000000, 0.0005337800000000, 0.0004255800000000 ] - [ -0.0082393500000000, -0.0101829100000000, -0.0130466600000000 ] - [ 0.0003192500000000, -0.0000996400000000, -0.0004378000000000 ] - [ -0.0000563500000000, 0.0001010100000000, -0.0002037700000000 ] - [ 0.0004285800000000, 0.0000258900000000, 0.0001282000000000 ] - [ -0.0000131000000000, -0.0003078000000000, 0.0007124400000000 ] - [ 0.0000527700000000, -0.0003457000000000, 0.0007873600000000 ] - [ -0.0014771300000000, 0.0032040700000000, -0.0014821800000000 ] - [ 0.0001667100000000, 0.0006279000000000, 0.0001160400000000 ] - [ -0.0001446400000000, -0.0004061000000000, 0.0000753800000000 ] - [ -0.0001673900000000, -0.0003569400000000, 0.0001513000000000 ] - [ -0.0005794100000000, -0.0006265500000000, -0.0001773400000000 ] - [ -0.0007356500000000, -0.0005164500000000, -0.0002792400000000 ] - [ 0.0000226500000000, -0.0005830500000000, 0.0004045700000000 ] - [ 0.0001239800000000, -0.0008451500000000, 0.0007646100000000 ] - [ 0.0002721900000000, 0.0001273500000000, -0.0003389800000000 ] - [ 0.0001042800000000, 0.0000379300000000, -0.0002104200000000 ] - [ 0.0001410300000000, 0.0005337500000000, -0.0003425200000000 ] - [ -0.0001940400000000, 0.0008214200000000, -0.0000077800000000 ] - [ 0.0000966300000000, -0.0008709600000000, -0.0016867000000000 ] - [ -0.0001263800000000, -0.0002001600000000, -0.0001388800000000 ] - [ 0.0006728300000000, -0.0026087900000000, 0.0007045000000000 ] - [ 0.0003128300000000, -0.0011393600000000, 0.0006737400000000 ] - [ -0.0009321200000000, 0.0018504200000000, -0.0031056000000000 ] - [ -0.0000134700000000, -0.0006051300000000, -0.0004384000000000 ] - [ -0.0006989300000000, 0.0000330400000000, -0.0004615100000000 ] - [ -0.0007905700000000, 0.0001833300000000, -0.0010934000000000 ] - [ 0.0007213300000000, 0.0000600000000000, -0.0004851200000000 ] - [ 0.0006637000000000, 0.0000889100000000, -0.0008160300000000 ] - [ -0.0000309500000000, 0.0000917200000000, -0.0005657100000000 ] - [ -0.0000745700000000, 0.0004279100000000, -0.0007727200000000 ] - [ 0.0002044100000000, 0.0001795000000000, -0.0005407500000000 ] - [ -0.0000095700000000, -0.0001228600000000, 0.0003331300000000 ] - [ -0.0000233300000000, -0.0008408400000000, -0.0010652900000000 ] - [ -0.0000046900000000, -0.0006214200000000, -0.0000635000000000 ] - [ 0.0000676400000000, -0.0003215600000000, -0.0001717800000000 ] - [ 0.0001895400000000, -0.0001174200000000, -0.0001182100000000 ] - [ 0.0000650300000000, -0.0001477900000000, 0.0004050900000000 ] - [ 0.1061170900000000, 0.0598956000000000, 0.0988529200000000 ] - [ 0.0001226900000000, -0.0006532000000000, 0.0004140800000000 ] - [ -0.0007150000000000, -0.0018575400000000, 0.0008003400000000 ] - [ -0.0000405400000000, 0.0000796400000000, -0.0001755800000000 ] - [ 0.0000019700000000, -0.0000559200000000, 0.0000303800000000 ] - [ -0.0002144500000000, 0.0006474200000000, -0.0000860500000000 ] - [ -0.0003333300000000, 0.0006741100000000, -0.0004849100000000 ] - [ -0.0094357500000000, 0.0033465900000000, 0.0027757000000000 ] - [ -0.0008349700000000, -0.0003528500000000, -0.0000475900000000 ] - [ 0.0002068000000000, 0.0005859900000000, -0.0000150700000000 ] - [ 0.0010528500000000, -0.0003691900000000, -0.0014696400000000 ] - [ -0.0133067600000000, -0.0012153100000000, 0.0089390500000000 ] - [ 0.0007443600000000, -0.0001817400000000, -0.0000921100000000 ] - [ 0.0003863900000000, 0.0007065700000000, -0.0004435400000000 ] - [ 0.0003102300000000, 0.0006429600000000, -0.0002899000000000 ] - [ -0.0000372600000000, 0.0000721100000000, 0.0010212500000000 ] - [ -0.0000815600000000, 0.0013637600000000, 0.0035367700000000 ] - [ -0.0002072200000000, 0.0001061100000000, 0.0003524900000000 ] - [ -0.0018014400000000, 0.0027057300000000, 0.0006752300000000 ] - [ -0.0004000700000000, 0.0007538000000000, -0.0003486000000000 ] - [ -0.0002883800000000, 0.0007059200000000, -0.0002727900000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003509700000000, -0.0007197900000000, -0.0004820500000000 ] - [ 0.0000339900000000, -0.0003438800000000, 0.0000005100000000 ] - [ 0.0002464700000000, 0.0016691100000000, 0.0013984400000000 ] - [ -0.0008579400000000, -0.0031621500000000, -0.0012018900000000 ] - [ 0.0000271800000000, 0.0001582700000000, 0.0001071600000000 ] - [ 0.0001775200000000, -0.0003104700000000, 0.0001171300000000 ] - [ 0.0003102000000000, -0.0005052900000000, 0.0001139800000000 ] - [ 0.0004083100000000, 0.0007857100000000, 0.0004934400000000 ] - [ -0.0000995600000000, 0.0002621800000000, -0.0000661200000000 ] - [ -0.0102633000000000, 0.0087302600000000, 0.0071640900000000 ] - [ -0.0002396100000000, -0.0009050100000000, -0.0021795800000000 ] - [ 0.0000294700000000, -0.0006863100000000, -0.0010563000000000 ] - [ 0.0005902400000000, 0.0005014100000000, -0.0003121200000000 ] - [ -0.0005474100000000, 0.0008478900000000, 0.0002831100000000 ] - [ 0.0902038800000000, 0.0495026800000000, 0.0991629000000000 ] - [ -0.0002802500000000, -0.0001832300000000, -0.0003402800000000 ] - [ 0.0003075100000000, 0.0001441700000000, -0.0007974100000000 ] - [ -0.0001420200000000, -0.0001067100000000, -0.0001262000000000 ] - [ 0.0009325900000000, -0.0003689200000000, -0.0005342900000000 ] - [ 0.0007233900000000, -0.0005265700000000, -0.0003938000000000 ] - [ -0.0002219400000000, -0.0009423000000000, -0.0020969000000000 ] - [ 0.0002661500000000, 0.0002955200000000, 0.0005050900000000 ] - [ -0.0001257200000000, 0.0002422600000000, 0.0005752000000000 ] - [ -0.0002645000000000, 0.0002951000000000, 0.0005645000000000 ] - [ 0.0002807600000000, -0.0001904600000000, 0.0001813100000000 ] - [ 0.0002705900000000, -0.0001805100000000, 0.0000242800000000 ] - [ 0.0001472100000000, -0.0004092600000000, -0.0000419300000000 ] - [ 0.0001254100000000, -0.0004611900000000, -0.0000634500000000 ] - [ 0.0000068300000000, 0.0000778700000000, -0.0010398900000000 ] - [ -0.0000130100000000, 0.0006305700000000, 0.0002853300000000 ] - [ 0.0002650300000000, 0.0001799800000000, 0.0000842900000000 ] - [ 0.0020250000000000, -0.0001064100000000, -0.0004713200000000 ] - [ -0.0002652100000000, -0.0001979700000000, 0.0002134500000000 ] - [ -0.0004125500000000, 0.0000034100000000, -0.0005672400000000 ] - [ -0.0003697400000000, 0.0001344600000000, -0.0004603400000000 ] - [ -0.0004867800000000, 0.0001784900000000, -0.0005174700000000 ] - [ -0.0009878300000000, 0.0001338600000000, -0.0004605500000000 ] - [ -0.0001872900000000, 0.0011846400000000, 0.0003132900000000 ] - [ 0.0001701500000000, -0.0000743900000000, -0.0003340500000000 ] - [ 0.0001212400000000, -0.0000923000000000, -0.0001391300000000 ] - [ -0.0042269800000000, 0.0044575600000000, -0.0055808400000000 ] - [ 0.0000185700000000, 0.0002853700000000, 0.0007279700000000 ] - [ 0.0090967600000000, 0.0101380600000000, 0.0122167100000000 ] - [ 0.0003142400000000, -0.0001550500000000, -0.0003545300000000 ] - [ -0.0003088800000000, 0.0002111700000000, 0.0000832700000000 ] - [ -0.0007654600000000, 0.0002791900000000, -0.0002487000000000 ] - [ 0.0000130000000000, -0.0005063700000000, 0.0004432400000000 ] - [ -0.0000521300000000, -0.0004712000000000, 0.0003672900000000 ] - [ 0.0017355100000000, -0.0023495300000000, 0.0015155400000000 ] - [ 0.0001161800000000, 0.0002359400000000, -0.0000794200000000 ] - [ -0.0001388400000000, -0.0004443800000000, -0.0000374000000000 ] - [ -0.0001151300000000, -0.0004981900000000, -0.0001142700000000 ] - [ -0.0009024200000000, -0.0003910900000000, -0.0004964000000000 ] - [ -0.0007471000000000, -0.0005002600000000, -0.0003943300000000 ] - [ -0.0000225400000000, -0.0007650800000000, 0.0005251200000000 ] - [ -0.0001228300000000, -0.0005042700000000, 0.0001643000000000 ] - [ 0.0003631700000000, 0.0001295100000000, -0.0004539900000000 ] - [ 0.0005310500000000, 0.0002177200000000, -0.0005828100000000 ] - [ -0.0004180500000000, 0.0003169000000000, 0.0003796800000000 ] - [ -0.0000887600000000, 0.0000391500000000, 0.0000463100000000 ] - [ -0.0001984100000000, 0.0001705000000000, 0.0014422400000000 ] - [ 0.0000314500000000, -0.0004963500000000, -0.0001006800000000 ] - [ -0.0012519500000000, 0.0012062900000000, -0.0007935200000000 ] - [ -0.0008895200000000, -0.0002786800000000, -0.0007579700000000 ] - [ 0.0009498300000000, -0.0024560800000000, 0.0022707700000000 ] - [ 0.0000143400000000, 0.0000008200000000, -0.0004056800000000 ] - [ -0.0007060100000000, -0.0000142300000000, -0.0000929900000000 ] - [ -0.0006141500000000, -0.0001575100000000, 0.0005384600000000 ] - [ 0.0006832300000000, -0.0000414300000000, -0.0000671500000000 ] - [ 0.0007446000000000, -0.0000604100000000, 0.0002540500000000 ] - [ 0.0000309200000000, 0.0005045400000000, -0.0002736900000000 ] - [ 0.0000738500000000, 0.0001718800000000, -0.0000655100000000 ] - [ -0.0002011700000000, -0.0003562300000000, 0.0018818300000000 ] - [ 0.0000094700000000, -0.0000614700000000, 0.0010121800000000 ] - [ 0.0000254500000000, -0.0001897200000000, 0.0014051100000000 ] - [ 0.0000053300000000, -0.0004163200000000, 0.0003963800000000 ] - [ 0.0000268100000000, -0.0003725200000000, -0.0000673500000000 ] - [ -0.0000947700000000, -0.0005783400000000, -0.0001206900000000 ] - [ -0.0000653200000000, 0.0001501700000000, 0.0000055100000000 ] - [ -0.1101047600000000, -0.0621020400000000, -0.0983041400000000 ] - [ 0.0004631700000000, -0.0007408600000000, -0.0005033700000000 ] - [ 0.0012940700000000, 0.0004498700000000, -0.0008783000000000 ] - [ 0.0000388800000000, -0.0000869800000000, 0.0005890400000000 ] - [ -0.0000020400000000, 0.0000474900000000, 0.0003808200000000 ] - [ 0.0001212700000000, 0.0000429600000000, -0.0001563100000000 ] - [ 0.0002125500000000, 0.0000074900000000, 0.0002093000000000 ] - [ 0.0080098700000000, -0.0033725600000000, -0.0033360300000000 ] - [ -0.0005726300000000, 0.0003233500000000, -0.0005079100000000 ] - [ -0.0001139100000000, 0.0001053400000000, -0.0002256300000000 ] - [ -0.0009609100000000, 0.0010812200000000, 0.0012330900000000 ] - [ 0.0144577500000000, 0.0011825200000000, -0.0093132100000000 ] - [ 0.0006644500000000, 0.0001502600000000, -0.0004611300000000 ] - [ 0.0002010300000000, 0.0006853300000000, 0.0003558000000000 ] - [ 0.0002767100000000, 0.0007523300000000, 0.0002020100000000 ] - [ 0.0000376000000000, 0.0001055100000000, 0.0003209700000000 ] - [ 0.0000537300000000, -0.0011606000000000, -0.0021839000000000 ] - [ 0.0002067400000000, 0.0009226800000000, -0.0000165500000000 ] - [ 0.0017982600000000, -0.0016534300000000, -0.0003394500000000 ] - [ -0.0001896300000000, 0.0006375300000000, 0.0002592900000000 ] - [ -0.0002989900000000, 0.0006878600000000, 0.0001823600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0097438100000000, 0.0034940100000000, 0.0048575700000000 ] - [ 0.0000406400000000, -0.0001379100000000, 0.0008687800000000 ] - [ -0.0003339500000000, 0.0004174900000000, -0.0006474000000000 ] - [ -0.0000931300000000, 0.0004100100000000, -0.0001966000000000 ] - [ 0.0002575200000000, -0.0002481100000000, 0.0000746000000000 ] - [ 0.0000646000000000, 0.0004431000000000, -0.0001046600000000 ] - [ -0.0032116900000000, 0.0002717200000000, 0.0009497200000000 ] - [ -0.0002555900000000, 0.0020260900000000, 0.0020105300000000 ] - [ -0.0000536300000000, 0.0020939500000000, -0.0013637100000000 ] - [ 0.0038398500000000, -0.0018156600000000, -0.0027274000000000 ] - [ -0.0039806900000000, -0.0008027600000000, -0.0230639700000000 ] - [ -0.0002947900000000, 0.0001876500000000, 0.0001622300000000 ] - [ 0.0007839500000000, 0.0005286900000000, -0.0004949600000000 ] - [ 0.0013310000000000, 0.0001251600000000, -0.0005297000000000 ] - [ -0.0017543700000000, -0.0007596900000000, -0.0008805600000000 ] - [ -0.0002590600000000, 0.0000385100000000, -0.0004341900000000 ] - [ -0.1470148400000000, -0.1020226700000000, 0.0730259900000000 ] - [ -0.0000365400000000, 0.0001571800000000, -0.0001737600000000 ] - [ -0.0017415700000000, -0.0020797900000000, 0.0006573400000000 ] - [ 0.0010241000000000, -0.0001498800000000, -0.0004819200000000 ] - [ 0.0032715000000000, -0.0001635600000000, -0.0092095900000000 ] - [ 0.0001719100000000, 0.0004686500000000, 0.0006672000000000 ] - [ 0.0004921300000000, 0.0005217000000000, 0.0013942600000000 ] - [ -0.0001822300000000, 0.0004864000000000, 0.0006488900000000 ] - [ 0.0002953600000000, -0.0002841800000000, 0.0002905700000000 ] - [ 0.0002886700000000, 0.0005761900000000, -0.0020483700000000 ] - [ 0.0000664600000000, -0.0007228800000000, 0.0001324300000000 ] - [ 0.0007640200000000, 0.0012830800000000, 0.0002895900000000 ] - [ -0.0000082700000000, 0.0003572300000000, -0.0015230600000000 ] - [ -0.0000059400000000, 0.0007425300000000, 0.0004379200000000 ] - [ 0.0001691200000000, 0.0001971000000000, -0.0001648600000000 ] - [ -0.0003646100000000, -0.0003406000000000, -0.0005363400000000 ] - [ -0.0003290900000000, -0.0002393500000000, 0.0003388000000000 ] - [ -0.0003429800000000, 0.0002964600000000, -0.0012474500000000 ] - [ -0.0002377500000000, 0.0002065300000000, -0.0002708900000000 ] - [ 0.0030615100000000, -0.0009189600000000, 0.0001977800000000 ] - [ -0.0003093400000000, 0.0010740300000000, -0.0006672800000000 ] - [ -0.0012155100000000, 0.0000815200000000, -0.0005113100000000 ] - [ 0.0074283000000000, -0.0034071800000000, 0.0030724200000000 ] - [ 0.0000647800000000, 0.0001785800000000, -0.0001314900000000 ] - [ -0.0000780600000000, 0.0005741400000000, 0.0002574800000000 ] - [ 0.0000013100000000, 0.0006872400000000, 0.0003453900000000 ] - [ 0.0005988900000000, -0.0003125100000000, -0.0004056900000000 ] - [ 0.0002598700000000, 0.0000132100000000, -0.0004550700000000 ] - [ -0.0001026000000000, 0.0001469700000000, -0.0001657300000000 ] - [ 0.0006048400000000, -0.0004860600000000, -0.0005831300000000 ] - [ -0.0002500000000000, 0.0002155800000000, 0.0012272700000000 ] - [ 0.0009003100000000, -0.0013976600000000, 0.0009391300000000 ] - [ -0.0001098300000000, 0.0007859400000000, -0.0010126800000000 ] - [ 0.0000329900000000, 0.0007927100000000, -0.0000221000000000 ] - [ -0.0002896700000000, 0.0000985900000000, 0.0000332100000000 ] - [ -0.0006395300000000, 0.0008222200000000, 0.0002623300000000 ] - [ 0.0007489700000000, -0.0018235800000000, -0.0002035200000000 ] - [ -0.0011310700000000, -0.0000893200000000, -0.0005148800000000 ] - [ 0.0003346400000000, -0.0000774800000000, -0.0000407300000000 ] - [ 0.0002964000000000, -0.0010639800000000, 0.0007249700000000 ] - [ 0.0003176000000000, 0.0002410800000000, -0.0003144200000000 ] - [ -0.0014694000000000, -0.0012591500000000, 0.0014419600000000 ] - [ -0.0000997100000000, 0.0002415700000000, 0.0000156400000000 ] - [ -0.0000254500000000, 0.0008206700000000, -0.0000303900000000 ] - [ 0.1449123800000000, 0.1076795000000000, -0.0793967400000000 ] - [ 0.0002814600000000, -0.0009266700000000, -0.0001550800000000 ] - [ 0.0000181300000000, -0.0015439200000000, 0.0012075800000000 ] - [ 0.0002745700000000, -0.0007177700000000, -0.0003198300000000 ] - [ 0.0000769300000000, 0.0000206200000000, 0.0012412900000000 ] - [ 0.0000066100000000, -0.0006183700000000, -0.0002263100000000 ] - [ -0.0004206100000000, -0.0004827400000000, -0.0004118000000000 ] - [ 0.0031156300000000, -0.0014937300000000, 0.0029572300000000 ] - [ 0.0007015600000000, -0.0000141700000000, -0.0003939300000000 ] - [ -0.0041301100000000, -0.0022499300000000, 0.0056904200000000 ] - [ -0.0008169400000000, -0.0013067200000000, -0.0011723800000000 ] - [ -0.0006084300000000, 0.0010021900000000, -0.0009269300000000 ] - [ -0.0036326800000000, -0.0099419900000000, 0.0176556100000000 ] - [ -0.0000398800000000, -0.0007441500000000, 0.0002687600000000 ] - [ 0.0005239300000000, 0.0032570900000000, 0.0043749700000000 ] - [ 0.0001099300000000, -0.0013218500000000, 0.0000269200000000 ] - [ -0.0044539300000000, 0.0022778300000000, -0.0025195400000000 ] - [ -0.0002449300000000, -0.0008880200000000, -0.0002008500000000 ] - [ 0.0000363600000000, -0.0004014700000000, 0.0004725700000000 ] - [ 0.0006868600000000, 0.0005748300000000, 0.0007861600000000 ] - [ 0.0003924300000000, -0.0004573200000000, 0.0004508200000000 ] - [ -0.0003360100000000, -0.0007326800000000, -0.0001978900000000 ] - [ -0.0032038300000000, 0.0023829000000000, -0.0027400400000000 ] - [ -0.0000342700000000, -0.0006838000000000, -0.0001985900000000 ] - [ -0.0000897400000000, 0.0004100400000000, 0.0001028100000000 ] - [ -0.0005906200000000, 0.0000547200000000, 0.0018907500000000 ] - [ -0.0017620600000000, 0.0002302900000000, -0.0005959500000000 ] - [ -0.0008657700000000, -0.0006347400000000, -0.0002730700000000 ] - [ 0.0000635600000000, 0.0003735400000000, 0.0001265700000000 ] - [ 0.0004422400000000, 0.0001851000000000, 0.0012521600000000 ] - [ -0.0006254700000000, 0.0028501900000000, 0.0056092900000000 ] - [ 0.0008783800000000, -0.0005792500000000, -0.0003098500000000 ] - [ 0.0016087700000000, 0.0002814100000000, -0.0023126000000000 ] - [ 0.0004817900000000, -0.0003397800000000, -0.0000928600000000 ] - [ -0.0000237700000000, -0.0002578100000000, 0.0011640600000000 ] - [ -0.0008155900000000, 0.0010912800000000, 0.0023336200000000 ] - [ -0.0002064700000000, -0.0005564700000000, 0.0008735300000000 ] - [ -0.0006001200000000, 0.0017554600000000, 0.0003090000000000 ] - [ -0.0015933800000000, 0.0016034400000000, -0.0004109300000000 ] - [ -0.0005510600000000, -0.0006376400000000, -0.0001051800000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0097855100000000, -0.0043023400000000, -0.0042861500000000 ] - [ -0.0000404600000000, -0.0007857800000000, -0.0001977500000000 ] - [ 0.0003387800000000, 0.0004873900000000, 0.0013471300000000 ] - [ 0.0000954000000000, 0.0004955300000000, 0.0008883500000000 ] - [ -0.0002617000000000, 0.0001970800000000, 0.0004470500000000 ] - [ -0.0000658700000000, -0.0005132100000000, 0.0006278900000000 ] - [ 0.0032703800000000, -0.0002526000000000, -0.0004263900000000 ] - [ 0.0002596000000000, -0.0019924800000000, -0.0015240700000000 ] - [ 0.0000551000000000, -0.0008163100000000, 0.0002675400000000 ] - [ -0.0038965300000000, 0.0031798000000000, 0.0016476800000000 ] - [ 0.0040707500000000, -0.0004148000000000, 0.0222941900000000 ] - [ 0.0002995000000000, -0.0015135800000000, -0.0012985100000000 ] - [ 0.0007000400000000, 0.0004860300000000, -0.0001752500000000 ] - [ 0.0001457000000000, 0.0008955700000000, -0.0001416400000000 ] - [ 0.0011474400000000, 0.0005173300000000, 0.0001012400000000 ] - [ -0.0003734200000000, -0.0002963600000000, -0.0003557800000000 ] - [ 0.1413789500000000, 0.0936091900000000, -0.0672627600000000 ] - [ -0.0003282200000000, -0.0004715500000000, 0.0000523400000000 ] - [ 0.0032599900000000, 0.0010903300000000, -0.0013550400000000 ] - [ 0.0004539400000000, -0.0008737000000000, -0.0001896000000000 ] - [ -0.0027557200000000, 0.0008452400000000, 0.0100337600000000 ] - [ 0.0003692000000000, 0.0000490100000000, 0.0000559700000000 ] - [ -0.0010464900000000, 0.0000013400000000, -0.0006800000000000 ] - [ -0.0003589700000000, 0.0000309100000000, 0.0000744400000000 ] - [ 0.0002435400000000, -0.0002376800000000, 0.0004408000000000 ] - [ 0.0002496600000000, -0.0011142200000000, 0.0028225600000000 ] - [ 0.0002175400000000, -0.0001232300000000, -0.0000973200000000 ] - [ -0.0004917700000000, -0.0021713800000000, -0.0002559300000000 ] - [ 0.0000082000000000, 0.0009980400000000, 0.0024890300000000 ] - [ 0.0000059400000000, 0.0006057300000000, 0.0004970400000000 ] - [ 0.0001935100000000, 0.0001116000000000, 0.0000444300000000 ] - [ 0.0007360000000000, 0.0006582300000000, 0.0004222700000000 ] - [ -0.0002096600000000, -0.0002827800000000, 0.0003908900000000 ] - [ -0.0001943200000000, -0.0008308500000000, 0.0020111800000000 ] - [ -0.0003943500000000, 0.0000458400000000, -0.0005229200000000 ] - [ -0.0037070400000000, 0.0011792000000000, -0.0009953000000000 ] - [ -0.0011812000000000, -0.0000668700000000, -0.0000008500000000 ] - [ -0.0002631400000000, 0.0009400700000000, -0.0001605500000000 ] - [ -0.0072098500000000, 0.0031539500000000, -0.0032534900000000 ] - [ 0.0002995700000000, -0.0004933600000000, 0.0000096700000000 ] - [ 0.0000791400000000, 0.0002394800000000, 0.0009042400000000 ] - [ -0.0000014300000000, 0.0001240100000000, 0.0008143900000000 ] - [ 0.0000275700000000, 0.0000620000000000, -0.0003828500000000 ] - [ 0.0003724200000000, -0.0002710200000000, -0.0003343600000000 ] - [ -0.0002605000000000, 0.0001617600000000, 0.0000448700000000 ] - [ -0.0009816300000000, 0.0008072700000000, 0.0004705300000000 ] - [ 0.0002557300000000, -0.0010461600000000, -0.0000901600000000 ] - [ -0.0009004300000000, 0.0005717200000000, 0.0002056700000000 ] - [ 0.0003951600000000, 0.0000656100000000, 0.0010670300000000 ] - [ 0.0002517800000000, 0.0000527800000000, 0.0000615500000000 ] - [ 0.0000090800000000, -0.0009574000000000, -0.0000009500000000 ] - [ 0.0003657500000000, -0.0017059900000000, -0.0002278600000000 ] - [ -0.0022546900000000, 0.0008298000000000, -0.0004740900000000 ] - [ -0.0003437000000000, -0.0009365100000000, -0.0001556000000000 ] - [ -0.0003407300000000, -0.0012872800000000, 0.0009865000000000 ] - [ -0.0002977100000000, -0.0002811600000000, 0.0001881900000000 ] - [ 0.0003131900000000, 0.0000110600000000, -0.0004785100000000 ] - [ 0.0021128000000000, 0.0015188900000000, -0.0022322400000000 ] - [ -0.0001828200000000, 0.0006185100000000, 0.0000238100000000 ] - [ -0.0002597300000000, 0.0000242000000000, 0.0000698700000000 ] - [ -0.1398168000000000, -0.1008452400000000, 0.0736525800000000 ] - [ -0.0003820700000000, 0.0002397400000000, -0.0000860800000000 ] - [ -0.0006005000000000, 0.0001553100000000, -0.0013140900000000 ] - [ -0.0008642300000000, -0.0006759400000000, 0.0002361800000000 ] - [ -0.0000776400000000, -0.0006289400000000, -0.0021120800000000 ] - [ -0.0000064200000000, 0.0000223600000000, -0.0006209700000000 ] - [ -0.0009830500000000, 0.0005077400000000, -0.0001381600000000 ] - [ -0.0045619900000000, 0.0015349600000000, -0.0035699300000000 ] - [ 0.0006977100000000, 0.0000322100000000, -0.0001544300000000 ] - [ 0.0055793900000000, 0.0023005300000000, -0.0063406600000000 ] - [ 0.0008326000000000, 0.0019555200000000, 0.0003527200000000 ] - [ 0.0006106700000000, -0.0003940500000000, 0.0001040900000000 ] - [ 0.0036923700000000, 0.0100767000000000, -0.0168087900000000 ] - [ 0.0000402300000000, 0.0005788200000000, 0.0010838200000000 ] - [ -0.0005326100000000, -0.0043525800000000, -0.0040964500000000 ] - [ -0.0001108100000000, 0.0003114100000000, 0.0003137300000000 ] - [ 0.0046337300000000, -0.0030341300000000, 0.0023313700000000 ] - [ 0.0003444300000000, 0.0001999500000000, -0.0000391600000000 ] - [ -0.0000370300000000, 0.0004151700000000, -0.0000725500000000 ] - [ -0.0006989400000000, -0.0005814400000000, -0.0003945000000000 ] - [ 0.0001854900000000, -0.0009451500000000, -0.0005500600000000 ] - [ 0.0009275000000000, -0.0006598500000000, 0.0001136200000000 ] - [ 0.0031896900000000, -0.0024033800000000, 0.0031534900000000 ] - [ 0.0000344100000000, 0.0006950100000000, 0.0006119700000000 ] - [ -0.0000082600000000, 0.0002880100000000, -0.0003528100000000 ] - [ 0.0005043300000000, 0.0006486700000000, -0.0021714200000000 ] - [ 0.0003765700000000, -0.0002602500000000, 0.0000442100000000 ] - [ -0.0005308800000000, 0.0006301600000000, -0.0002803800000000 ] - [ 0.0000337400000000, 0.0003227600000000, -0.0003748800000000 ] - [ -0.0003523900000000, 0.0005190100000000, -0.0015243000000000 ] - [ 0.0020430500000000, -0.0029224300000000, -0.0062469800000000 ] - [ 0.0005178300000000, 0.0005747100000000, -0.0002412000000000 ] - [ -0.0010383600000000, 0.0011026700000000, 0.0022669300000000 ] - [ 0.0000955100000000, 0.0017613900000000, 0.0000069800000000 ] - [ 0.0000240400000000, 0.0004453200000000, 0.0001646700000000 ] - [ 0.0008275900000000, -0.0009308900000000, -0.0010233700000000 ] - [ 0.0002090500000000, 0.0016063400000000, -0.0005518400000000 ] - [ 0.0006082100000000, -0.0007494900000000, 0.0000350200000000 ] - [ 0.0010283500000000, -0.0002293800000000, 0.0003307300000000 ] - [ -0.0000283000000000, 0.0020627500000000, 0.0000168200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0051528900000000, 0.0000834300000000, 0.0041203900000000 ] - [ 0.0000280300000000, 0.0005633300000000, 0.0004992000000000 ] - [ -0.0001437000000000, 0.0004737400000000, -0.0006436600000000 ] - [ -0.0000613800000000, 0.0003864100000000, -0.0000412800000000 ] - [ 0.0002489500000000, -0.0004196300000000, 0.0001923300000000 ] - [ 0.0000324100000000, 0.0004679300000000, -0.0001283300000000 ] - [ -0.0029176800000000, 0.0042308400000000, -0.0012979600000000 ] - [ 0.0002619800000000, 0.0022763600000000, 0.0018826500000000 ] - [ -0.0000177000000000, 0.0020558700000000, -0.0012380000000000 ] - [ 0.0023595500000000, -0.0024131700000000, -0.0019784100000000 ] - [ -0.0022088700000000, -0.0013289500000000, -0.0178755000000000 ] - [ -0.0003057300000000, 0.0004512500000000, 0.0003863300000000 ] - [ 0.0005082600000000, 0.0006836800000000, -0.0004458700000000 ] - [ 0.0011042500000000, 0.0002741400000000, -0.0004257700000000 ] - [ -0.0014844100000000, -0.0007651900000000, -0.0006917900000000 ] - [ -0.0001558400000000, 0.0001153900000000, -0.0004432600000000 ] - [ -0.1012004100000000, -0.1230011500000000, 0.0553830300000000 ] - [ 0.0001332600000000, 0.0003071700000000, -0.0002849900000000 ] - [ -0.0011484800000000, -0.0019947300000000, 0.0014443900000000 ] - [ 0.0011771400000000, -0.0000423500000000, -0.0005130000000000 ] - [ -0.0090011700000000, -0.0108511400000000, 0.0003393600000000 ] - [ 0.0001909700000000, 0.0005255300000000, 0.0007435400000000 ] - [ 0.0003263800000000, 0.0001044600000000, 0.0003833600000000 ] - [ -0.0001913900000000, 0.0005461900000000, 0.0007661100000000 ] - [ 0.0002946900000000, -0.0002632600000000, 0.0003143700000000 ] - [ 0.0003479500000000, 0.0003730100000000, -0.0016558000000000 ] - [ 0.0000726700000000, -0.0005434400000000, 0.0001803700000000 ] - [ 0.0005535700000000, 0.0009498600000000, 0.0001899700000000 ] - [ 0.0000131800000000, 0.0004524300000000, -0.0009919500000000 ] - [ -0.0000032500000000, 0.0007484700000000, 0.0004847000000000 ] - [ 0.0002240500000000, 0.0002336100000000, -0.0001208700000000 ] - [ -0.0003163400000000, -0.0003219800000000, -0.0004793400000000 ] - [ -0.0003204300000000, -0.0002183800000000, 0.0003917800000000 ] - [ -0.0004142700000000, 0.0002577400000000, -0.0012167200000000 ] - [ -0.0003580600000000, 0.0002556400000000, -0.0003414400000000 ] - [ 0.0011207700000000, -0.0001215200000000, -0.0002714700000000 ] - [ -0.0003378400000000, 0.0009020200000000, -0.0004390400000000 ] - [ -0.0010505000000000, 0.0002651800000000, -0.0003770200000000 ] - [ 0.0034503100000000, -0.0051350300000000, 0.0038594000000000 ] - [ -0.0001539200000000, 0.0003369100000000, -0.0002794700000000 ] - [ -0.0000474000000000, 0.0004357800000000, 0.0003511300000000 ] - [ -0.0000009500000000, 0.0007546300000000, 0.0003149400000000 ] - [ 0.0006608600000000, -0.0004109300000000, -0.0004756400000000 ] - [ 0.0001550800000000, 0.0001093500000000, -0.0004579200000000 ] - [ -0.0001741100000000, 0.0002040200000000, -0.0001289400000000 ] - [ 0.0004623600000000, -0.0004121700000000, -0.0004974300000000 ] - [ 0.0000414400000000, 0.0001335200000000, 0.0010388100000000 ] - [ -0.0003536100000000, -0.0004786200000000, 0.0006889500000000 ] - [ 0.0000913300000000, 0.0005182800000000, -0.0006466400000000 ] - [ 0.0000127700000000, 0.0009018700000000, -0.0000287000000000 ] - [ -0.0003027000000000, 0.0003390900000000, 0.0001937800000000 ] - [ -0.0004953000000000, 0.0007771900000000, 0.0000638000000000 ] - [ 0.0002769900000000, -0.0016816800000000, 0.0000364700000000 ] - [ -0.0012148500000000, -0.0000245700000000, -0.0005278700000000 ] - [ 0.0000053000000000, -0.0003765600000000, 0.0001652500000000 ] - [ -0.0001160500000000, -0.0008490800000000, 0.0014557100000000 ] - [ 0.0004443000000000, 0.0003044600000000, -0.0003726900000000 ] - [ -0.0009483000000000, -0.0004221300000000, -0.0006576900000000 ] - [ -0.0001945200000000, 0.0000570100000000, -0.0000278600000000 ] - [ -0.0000034200000000, 0.0009279700000000, -0.0000293200000000 ] - [ 0.1219828500000000, 0.1245184800000000, -0.0660229700000000 ] - [ 0.0000943500000000, -0.0011470000000000, -0.0001506000000000 ] - [ -0.0004979900000000, -0.0010009500000000, 0.0008437300000000 ] - [ 0.0001327400000000, -0.0008691800000000, -0.0003334500000000 ] - [ 0.0000274900000000, 0.0000126000000000, 0.0008246700000000 ] - [ 0.0000061400000000, -0.0006813400000000, -0.0002676500000000 ] - [ -0.0004672400000000, -0.0006447100000000, -0.0004564200000000 ] - [ 0.0010551000000000, -0.0012495000000000, 0.0025804700000000 ] - [ 0.0007519500000000, -0.0001670000000000, -0.0004107900000000 ] - [ -0.0018460000000000, -0.0022236200000000, 0.0043531000000000 ] - [ -0.0001094700000000, -0.0003775100000000, -0.0006804300000000 ] - [ 0.0003130800000000, -0.0000105500000000, -0.0010556600000000 ] - [ -0.0108025000000000, 0.0029972400000000, 0.0127329100000000 ] - [ 0.0000113000000000, -0.0011453000000000, 0.0000833700000000 ] - [ 0.0007209800000000, 0.0033969200000000, 0.0031242600000000 ] - [ 0.0000777600000000, -0.0015496200000000, -0.0000614800000000 ] - [ -0.0035393000000000, 0.0028270700000000, -0.0028242500000000 ] - [ -0.0001349800000000, -0.0012281100000000, -0.0001485300000000 ] - [ 0.0000171400000000, -0.0005516300000000, 0.0005568000000000 ] - [ 0.0005165600000000, 0.0006827600000000, 0.0006617200000000 ] - [ 0.0006671500000000, -0.0003972600000000, 0.0007035100000000 ] - [ -0.0001833500000000, -0.0008866300000000, -0.0003400900000000 ] - [ -0.0004856700000000, 0.0015718400000000, -0.0007377900000000 ] - [ -0.0000539500000000, -0.0006827900000000, -0.0000055200000000 ] - [ -0.0000290300000000, 0.0003523200000000, 0.0000837600000000 ] - [ -0.0005195100000000, 0.0001539100000000, 0.0015435900000000 ] - [ -0.0012278000000000, 0.0007739200000000, -0.0000723000000000 ] - [ -0.0008190000000000, -0.0007346000000000, -0.0003452500000000 ] - [ 0.0000014900000000, 0.0003401700000000, 0.0000324800000000 ] - [ 0.0004397400000000, 0.0002027500000000, 0.0011887600000000 ] - [ 0.0003851200000000, 0.0035088000000000, 0.0050210300000000 ] - [ 0.0008238200000000, -0.0006951800000000, -0.0003529200000000 ] - [ 0.0006248500000000, 0.0004667500000000, -0.0027907700000000 ] - [ 0.0003108700000000, -0.0004290800000000, 0.0001153500000000 ] - [ -0.0000207400000000, -0.0003050900000000, 0.0010485700000000 ] - [ -0.0005543000000000, 0.0011390500000000, 0.0019739000000000 ] - [ -0.0000690900000000, -0.0004783700000000, 0.0006730800000000 ] - [ -0.0002450700000000, 0.0017917500000000, -0.0003861800000000 ] - [ -0.0011235400000000, 0.0015695800000000, -0.0006178000000000 ] - [ -0.0003410600000000, -0.0005589900000000, 0.0000772900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0052211100000000, -0.0010298400000000, -0.0035351000000000 ] - [ -0.0000273200000000, -0.0014741300000000, 0.0001788600000000 ] - [ 0.0001481700000000, 0.0004301300000000, 0.0013308300000000 ] - [ 0.0000632800000000, 0.0005222400000000, 0.0007247800000000 ] - [ -0.0002495800000000, 0.0003611700000000, 0.0003252000000000 ] - [ -0.0000331900000000, -0.0005298700000000, 0.0006460200000000 ] - [ 0.0029188200000000, -0.0041606400000000, 0.0017842600000000 ] - [ -0.0002660000000000, -0.0022379900000000, -0.0013857000000000 ] - [ 0.0000181900000000, -0.0007669300000000, 0.0001297200000000 ] - [ -0.0023869600000000, 0.0037528400000000, 0.0008821000000000 ] - [ 0.0022808200000000, 0.0000009100000000, 0.0169534400000000 ] - [ 0.0003066600000000, -0.0017668700000000, -0.0015019600000000 ] - [ 0.0009720400000000, 0.0003323300000000, -0.0002261200000000 ] - [ 0.0003737700000000, 0.0007459800000000, -0.0002463900000000 ] - [ 0.0008642000000000, 0.0005166900000000, -0.0000923300000000 ] - [ -0.0004751200000000, -0.0003708000000000, -0.0003477300000000 ] - [ 0.0943741800000000, 0.1205736800000000, -0.0517860400000000 ] - [ -0.0004958500000000, -0.0006186300000000, 0.0001630000000000 ] - [ 0.0026476000000000, 0.0009840000000000, -0.0021212000000000 ] - [ 0.0003047700000000, -0.0009763400000000, -0.0001596200000000 ] - [ 0.0092498400000000, 0.0113590900000000, 0.0005706500000000 ] - [ 0.0003496800000000, -0.0000061100000000, -0.0000185800000000 ] - [ -0.0008725600000000, 0.0004165600000000, 0.0003420100000000 ] - [ -0.0003494900000000, -0.0000271800000000, -0.0000419300000000 ] - [ 0.0002447300000000, -0.0002583800000000, 0.0004147300000000 ] - [ 0.0001905800000000, -0.0009001500000000, 0.0024033400000000 ] - [ 0.0002097700000000, -0.0003096900000000, -0.0001432700000000 ] - [ -0.0002745000000000, -0.0018141800000000, -0.0001542400000000 ] - [ -0.0000140200000000, 0.0008992200000000, 0.0019409300000000 ] - [ 0.0000032200000000, 0.0006005000000000, 0.0004487000000000 ] - [ 0.0001384100000000, 0.0000749900000000, -0.0000009400000000 ] - [ 0.0006837200000000, 0.0006357500000000, 0.0003607700000000 ] - [ -0.0002187800000000, -0.0003036100000000, 0.0003383800000000 ] - [ -0.0001244000000000, -0.0007838900000000, 0.0019582700000000 ] - [ -0.0002747800000000, -0.0000019300000000, -0.0004512000000000 ] - [ -0.0017819500000000, 0.0003824000000000, -0.0005237000000000 ] - [ -0.0011484800000000, 0.0001076800000000, -0.0002295900000000 ] - [ -0.0004290600000000, 0.0007550100000000, -0.0002956300000000 ] - [ -0.0031121400000000, 0.0048780700000000, -0.0040391800000000 ] - [ 0.0005172900000000, -0.0006490600000000, 0.0001579900000000 ] - [ 0.0000479900000000, 0.0003782300000000, 0.0008073900000000 ] - [ 0.0000009100000000, 0.0000593700000000, 0.0008417900000000 ] - [ -0.0000321500000000, 0.0001588800000000, -0.0003132600000000 ] - [ 0.0004761000000000, -0.0003646800000000, -0.0003329500000000 ] - [ -0.0001892400000000, 0.0001053600000000, 0.0000071300000000 ] - [ -0.0008314700000000, 0.0007269500000000, 0.0003787700000000 ] - [ -0.0000368700000000, -0.0009547600000000, 0.0001066900000000 ] - [ 0.0003539500000000, -0.0003275300000000, 0.0004664600000000 ] - [ 0.0001945100000000, 0.0003307600000000, 0.0006974000000000 ] - [ 0.0002708900000000, -0.0000512800000000, 0.0000673000000000 ] - [ 0.0000212900000000, -0.0011928700000000, -0.0001541000000000 ] - [ 0.0002158800000000, -0.0016407000000000, -0.0000255900000000 ] - [ -0.0017739800000000, 0.0006769700000000, -0.0007115000000000 ] - [ -0.0002652200000000, -0.0009954500000000, -0.0001441600000000 ] - [ -0.0000116900000000, -0.0009853400000000, 0.0007740200000000 ] - [ 0.0001159800000000, -0.0004970600000000, -0.0005298000000000 ] - [ 0.0001884100000000, -0.0000503600000000, -0.0004196000000000 ] - [ 0.0015959700000000, 0.0006923700000000, -0.0001446600000000 ] - [ -0.0000893600000000, 0.0007941900000000, 0.0000687200000000 ] - [ -0.0002804700000000, -0.0000780300000000, 0.0000678700000000 ] - [ -0.1156550500000000, -0.1229854900000000, 0.0621773100000000 ] - [ -0.0001934700000000, 0.0004551300000000, -0.0000908400000000 ] - [ -0.0000929000000000, -0.0003840500000000, -0.0009429500000000 ] - [ -0.0007222300000000, -0.0005268000000000, 0.0002478900000000 ] - [ -0.0000277600000000, -0.0006146600000000, -0.0016783700000000 ] - [ -0.0000060000000000, 0.0000831100000000, -0.0005740200000000 ] - [ -0.0009392000000000, 0.0006676600000000, -0.0000990200000000 ] - [ -0.0024809100000000, 0.0012816500000000, -0.0031614600000000 ] - [ 0.0006535800000000, 0.0001881400000000, -0.0001425100000000 ] - [ 0.0032715100000000, 0.0022664900000000, -0.0049404300000000 ] - [ 0.0001209500000000, 0.0010134500000000, -0.0001425600000000 ] - [ -0.0003159700000000, 0.0006100300000000, 0.0002188400000000 ] - [ 0.0110956400000000, -0.0032604700000000, -0.0116769700000000 ] - [ -0.0000115000000000, 0.0009676600000000, 0.0012579100000000 ] - [ -0.0007301300000000, -0.0044586300000000, -0.0028224300000000 ] - [ -0.0000773100000000, 0.0005231700000000, 0.0003969100000000 ] - [ 0.0036814100000000, -0.0035551300000000, 0.0026180600000000 ] - [ 0.0002343200000000, 0.0005375500000000, -0.0000922700000000 ] - [ -0.0000179000000000, 0.0005557800000000, -0.0001537600000000 ] - [ -0.0005216600000000, -0.0006867100000000, -0.0002639300000000 ] - [ -0.0000805100000000, -0.0009955200000000, -0.0007905000000000 ] - [ 0.0007733400000000, -0.0005091600000000, 0.0002561200000000 ] - [ 0.0005155800000000, -0.0016041100000000, 0.0011731000000000 ] - [ 0.0000537100000000, 0.0006889200000000, 0.0004153800000000 ] - [ -0.0000658800000000, 0.0003442700000000, -0.0003275800000000 ] - [ 0.0004285100000000, 0.0005441000000000, -0.0018017400000000 ] - [ -0.0001680500000000, -0.0008000500000000, -0.0004858700000000 ] - [ -0.0005819300000000, 0.0007207500000000, -0.0002086700000000 ] - [ 0.0000937700000000, 0.0003576000000000, -0.0002777200000000 ] - [ -0.0003479800000000, 0.0004943400000000, -0.0014419000000000 ] - [ 0.0010390900000000, -0.0035478900000000, -0.0055996900000000 ] - [ 0.0005772500000000, 0.0006814500000000, -0.0001994000000000 ] - [ -0.0000611300000000, 0.0009313800000000, 0.0027056300000000 ] - [ 0.0002715900000000, 0.0018329100000000, -0.0002036500000000 ] - [ 0.0000208800000000, 0.0004897000000000, 0.0002905900000000 ] - [ 0.0005605500000000, -0.0009688900000000, -0.0006468600000000 ] - [ 0.0000726300000000, 0.0015242200000000, -0.0003470900000000 ] - [ 0.0002495600000000, -0.0007740600000000, 0.0007248700000000 ] - [ 0.0005508500000000, -0.0001799800000000, 0.0005353900000000 ] - [ -0.0002431200000000, 0.0019640400000000, -0.0001672800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008269400000000, 0.0015012900000000, -0.0063886200000000 ] - [ 0.0000330400000000, -0.0010467100000000, -0.0001094400000000 ] - [ 0.0001087700000000, 0.0004824500000000, 0.0013766200000000 ] - [ -0.0000143600000000, 0.0005972300000000, 0.0009233500000000 ] - [ 0.0000503000000000, 0.0001564700000000, 0.0009110400000000 ] - [ 0.0000127700000000, -0.0003912600000000, 0.0006049400000000 ] - [ 0.0021763000000000, -0.0025613500000000, 0.0002026500000000 ] - [ 0.0002826700000000, -0.0008822600000000, -0.0010518700000000 ] - [ 0.0000425100000000, -0.0004509500000000, 0.0003150100000000 ] - [ -0.0019422900000000, 0.0030768000000000, 0.0013815500000000 ] - [ -0.0038931900000000, -0.0048289000000000, 0.0168392200000000 ] - [ -0.0000926600000000, -0.0010092700000000, -0.0016848100000000 ] - [ 0.0008280700000000, 0.0004284700000000, -0.0002037900000000 ] - [ 0.0003619600000000, 0.0007874400000000, -0.0002035600000000 ] - [ 0.0003424800000000, 0.0003402300000000, 0.0003418100000000 ] - [ -0.0003658700000000, -0.0002647700000000, -0.0003311200000000 ] - [ 0.0685354500000000, 0.0523772700000000, -0.1071460900000000 ] - [ -0.0002952800000000, -0.0003801400000000, -0.0000030300000000 ] - [ 0.0016999900000000, 0.0009281600000000, 0.0004545500000000 ] - [ 0.0004558400000000, -0.0008211200000000, -0.0002308500000000 ] - [ -0.0219783100000000, -0.0179742100000000, 0.0171907900000000 ] - [ 0.0003418100000000, 0.0000891400000000, 0.0001437300000000 ] - [ -0.0004827700000000, 0.0003053500000000, 0.0001977200000000 ] - [ -0.0003310200000000, 0.0000851900000000, 0.0001758000000000 ] - [ 0.0002412700000000, -0.0002150700000000, 0.0004086900000000 ] - [ 0.0001366800000000, -0.0007937300000000, 0.0018264700000000 ] - [ 0.0002051800000000, -0.0000753700000000, -0.0001010500000000 ] - [ -0.0002154100000000, -0.0015936200000000, -0.0000926500000000 ] - [ 0.0000338200000000, 0.0009763900000000, 0.0021738900000000 ] - [ -0.0000010600000000, 0.0006355500000000, 0.0005370500000000 ] - [ 0.0002866100000000, 0.0002151000000000, 0.0000937500000000 ] - [ 0.0006614500000000, 0.0005748300000000, 0.0003423600000000 ] - [ -0.0002420200000000, -0.0002040300000000, 0.0004535100000000 ] - [ -0.0001041800000000, -0.0007795900000000, 0.0019187300000000 ] - [ -0.0004185200000000, 0.0001031000000000, -0.0005401600000000 ] - [ -0.0009942800000000, 0.0002486100000000, -0.0002054900000000 ] - [ -0.0009933300000000, 0.0002434100000000, -0.0001866700000000 ] - [ -0.0004261500000000, 0.0008224000000000, -0.0001890400000000 ] - [ -0.0029902800000000, 0.0038176200000000, -0.0040717900000000 ] - [ 0.0002521800000000, -0.0003749000000000, -0.0000322900000000 ] - [ 0.0000350500000000, 0.0001074700000000, 0.0010101900000000 ] - [ -0.0000004700000000, 0.0001730700000000, 0.0007996700000000 ] - [ 0.0001884400000000, 0.0000895400000000, -0.0001228800000000 ] - [ 0.0003586500000000, -0.0002566300000000, -0.0003177800000000 ] - [ -0.0002877000000000, 0.0002234200000000, 0.0000860600000000 ] - [ -0.0007085300000000, 0.0005928200000000, 0.0003401100000000 ] - [ 0.0002769000000000, -0.0009090100000000, -0.0002469200000000 ] - [ -0.0001786000000000, -0.0006595600000000, -0.0001453400000000 ] - [ 0.0001613100000000, 0.0000458100000000, 0.0005453600000000 ] - [ 0.0002192100000000, 0.0001630500000000, 0.0000566100000000 ] - [ -0.0003863800000000, 0.0002575800000000, -0.0002826900000000 ] - [ 0.0002441900000000, -0.0016841300000000, -0.0001735100000000 ] - [ -0.0020083000000000, 0.0005694100000000, -0.0005719100000000 ] - [ -0.0004748800000000, -0.0008114700000000, -0.0002370400000000 ] - [ -0.0002206900000000, -0.0012155800000000, 0.0010126100000000 ] - [ -0.0001787100000000, -0.0003530700000000, -0.0001603600000000 ] - [ 0.0004477900000000, 0.0001206100000000, -0.0005410500000000 ] - [ 0.0016221300000000, -0.0001394800000000, 0.0000098300000000 ] - [ -0.0001059200000000, 0.0004718300000000, 0.0001779900000000 ] - [ -0.0002195900000000, 0.0001578600000000, 0.0000660900000000 ] - [ -0.0608795100000000, -0.0412815000000000, 0.0840095000000000 ] - [ -0.0001678800000000, 0.0000840700000000, -0.0000326600000000 ] - [ -0.0002919400000000, -0.0002011300000000, -0.0007387700000000 ] - [ -0.0006783000000000, -0.0007041400000000, 0.0001025200000000 ] - [ -0.0000469700000000, -0.0004662800000000, -0.0019410900000000 ] - [ 0.0000035300000000, -0.0000599900000000, -0.0006415100000000 ] - [ -0.0006232600000000, -0.0002948000000000, -0.0001131300000000 ] - [ -0.0020027300000000, 0.0016902300000000, -0.0025831000000000 ] - [ 0.0007335500000000, -0.0001054900000000, -0.0000905700000000 ] - [ 0.0023675600000000, 0.0014132800000000, -0.0029957100000000 ] - [ 0.0006850300000000, 0.0023620500000000, 0.0006799500000000 ] - [ 0.0002398300000000, 0.0004285900000000, 0.0004478100000000 ] - [ 0.0142982700000000, 0.0085701100000000, 0.0016934000000000 ] - [ 0.0000673000000000, 0.0004933900000000, 0.0014060500000000 ] - [ 0.0006130400000000, -0.0024611800000000, -0.0026422000000000 ] - [ 0.0000273700000000, 0.0000182900000000, 0.0003389500000000 ] - [ 0.0033896800000000, -0.0030871200000000, 0.0026224000000000 ] - [ 0.0001178200000000, 0.0000120300000000, -0.0000092300000000 ] - [ -0.0000068100000000, 0.0003350300000000, -0.0001234000000000 ] - [ -0.0002708600000000, -0.0003930600000000, -0.0005607900000000 ] - [ 0.0001325200000000, -0.0007603300000000, -0.0006438900000000 ] - [ 0.0007057500000000, -0.0007051300000000, 0.0000252700000000 ] - [ -0.0003405400000000, -0.0005833600000000, 0.0010984000000000 ] - [ -0.0000368500000000, 0.0005634500000000, 0.0007089200000000 ] - [ -0.0000563200000000, 0.0001857600000000, -0.0003848700000000 ] - [ 0.0003419000000000, 0.0004671600000000, -0.0014054800000000 ] - [ -0.0003132700000000, -0.0004736400000000, -0.0005403600000000 ] - [ -0.0006160900000000, 0.0004392800000000, -0.0003487200000000 ] - [ 0.0000496100000000, 0.0001996900000000, -0.0004525700000000 ] - [ -0.0003138100000000, 0.0005009600000000, -0.0014292200000000 ] - [ 0.0024555200000000, -0.0002874400000000, -0.0024785400000000 ] - [ 0.0005957700000000, 0.0004241600000000, -0.0003138300000000 ] - [ -0.0007479400000000, -0.0010048300000000, 0.0004429800000000 ] - [ 0.0001538600000000, 0.0017339100000000, -0.0000103000000000 ] - [ -0.0000034700000000, 0.0002840000000000, 0.0001184600000000 ] - [ 0.0003472500000000, -0.0006976700000000, -0.0007432200000000 ] - [ 0.0000745100000000, 0.0013519300000000, -0.0004817700000000 ] - [ 0.0003330500000000, -0.0005113000000000, 0.0001940900000000 ] - [ 0.0005722900000000, -0.0002267200000000, 0.0005024300000000 ] - [ -0.0001735900000000, 0.0016589500000000, -0.0000321200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007826100000000, -0.0024334200000000, 0.0070080200000000 ] - [ -0.0000312600000000, 0.0001393100000000, 0.0007869300000000 ] - [ -0.0001070200000000, 0.0004258700000000, -0.0006883900000000 ] - [ 0.0000140100000000, 0.0003050700000000, -0.0002438700000000 ] - [ -0.0000498600000000, -0.0002123100000000, -0.0003943500000000 ] - [ -0.0000123700000000, 0.0003294800000000, -0.0000895400000000 ] - [ -0.0021449800000000, 0.0025967000000000, 0.0003268600000000 ] - [ -0.0002802600000000, 0.0009286700000000, 0.0015591600000000 ] - [ -0.0000411600000000, 0.0017454900000000, -0.0014222300000000 ] - [ 0.0019564000000000, -0.0017710900000000, -0.0024810300000000 ] - [ 0.0037891100000000, 0.0034206600000000, -0.0177737600000000 ] - [ 0.0000920500000000, -0.0003018900000000, 0.0005603200000000 ] - [ 0.0006535400000000, 0.0005885700000000, -0.0004665900000000 ] - [ 0.0011206100000000, 0.0002290500000000, -0.0004700100000000 ] - [ -0.0009728200000000, -0.0005954800000000, -0.0011382400000000 ] - [ -0.0002680800000000, 0.0000079600000000, -0.0004605400000000 ] - [ -0.0716559000000000, -0.0547406500000000, 0.1064916700000000 ] - [ -0.0000692600000000, 0.0000674200000000, -0.0001185000000000 ] - [ -0.0002086300000000, -0.0019294200000000, -0.0011208800000000 ] - [ 0.0010254200000000, -0.0001973300000000, -0.0004421000000000 ] - [ 0.0231489000000000, 0.0186604300000000, -0.0168687600000000 ] - [ 0.0001987000000000, 0.0004297200000000, 0.0005806800000000 ] - [ -0.0000681000000000, 0.0002200000000000, 0.0005338700000000 ] - [ -0.0002092700000000, 0.0004337300000000, 0.0005493700000000 ] - [ 0.0002985200000000, -0.0003051200000000, 0.0003177900000000 ] - [ 0.0004018000000000, 0.0002719100000000, -0.0010988100000000 ] - [ 0.0000783600000000, -0.0007753900000000, 0.0001377000000000 ] - [ 0.0004967700000000, 0.0007370400000000, 0.0001310800000000 ] - [ -0.0000331900000000, 0.0003744900000000, -0.0012295400000000 ] - [ 0.0000010300000000, 0.0007132100000000, 0.0003947800000000 ] - [ 0.0000769400000000, 0.0000949900000000, -0.0002148500000000 ] - [ -0.0002970000000000, -0.0002639500000000, -0.0004639300000000 ] - [ -0.0002975200000000, -0.0003167100000000, 0.0002750900000000 ] - [ -0.0004349300000000, 0.0002557200000000, -0.0011822400000000 ] - [ -0.0002155200000000, 0.0001519200000000, -0.0002535500000000 ] - [ 0.0003523400000000, 0.0000094600000000, -0.0005834300000000 ] - [ -0.0004907500000000, 0.0007694200000000, -0.0004805800000000 ] - [ -0.0010554100000000, 0.0001946100000000, -0.0004841700000000 ] - [ 0.0033356900000000, -0.0040801300000000, 0.0039264300000000 ] - [ 0.0001117400000000, 0.0000622400000000, -0.0000895600000000 ] - [ -0.0000352700000000, 0.0007079200000000, 0.0001454900000000 ] - [ 0.0000004800000000, 0.0006404600000000, 0.0003573800000000 ] - [ 0.0004397700000000, -0.0003435200000000, -0.0006698100000000 ] - [ 0.0002753900000000, -0.0000005200000000, -0.0004735400000000 ] - [ -0.0000768400000000, 0.0000875900000000, -0.0002067800000000 ] - [ 0.0003455500000000, -0.0002828200000000, -0.0004622200000000 ] - [ -0.0002749200000000, 0.0000886400000000, 0.0013967500000000 ] - [ 0.0001709400000000, -0.0001505900000000, 0.0012953500000000 ] - [ 0.0001224100000000, 0.0008199200000000, -0.0005015000000000 ] - [ 0.0000651600000000, 0.0006845500000000, -0.0000178000000000 ] - [ 0.0000999900000000, -0.0011040400000000, 0.0003173000000000 ] - [ -0.0005239000000000, 0.0008223000000000, 0.0002089700000000 ] - [ 0.0005136100000000, -0.0015770500000000, -0.0001058800000000 ] - [ -0.0010062700000000, -0.0002071400000000, -0.0004359100000000 ] - [ 0.0002168500000000, -0.0001422200000000, -0.0000778400000000 ] - [ 0.0001768000000000, -0.0009936800000000, 0.0010946900000000 ] - [ 0.0001867300000000, 0.0001349000000000, -0.0002524900000000 ] - [ -0.0009731800000000, 0.0003941200000000, -0.0008072400000000 ] - [ -0.0001776200000000, 0.0003863600000000, -0.0001394900000000 ] - [ -0.0000644600000000, 0.0006908000000000, -0.0000274600000000 ] - [ 0.0627445400000000, 0.0424168200000000, -0.0836222800000000 ] - [ 0.0000699200000000, -0.0007748500000000, -0.0002080400000000 ] - [ -0.0002952900000000, -0.0011979100000000, 0.0006361800000000 ] - [ 0.0000889300000000, -0.0006861500000000, -0.0001888300000000 ] - [ 0.0000470900000000, -0.0001357000000000, 0.0010913500000000 ] - [ -0.0000030200000000, -0.0005364400000000, -0.0001993400000000 ] - [ -0.0007812900000000, 0.0003145700000000, -0.0004409000000000 ] - [ 0.0005892400000000, -0.0016504400000000, 0.0020120100000000 ] - [ 0.0006715900000000, 0.0001260600000000, -0.0004618900000000 ] - [ -0.0009618500000000, -0.0013940300000000, 0.0024504500000000 ] - [ -0.0006807000000000, -0.0017494500000000, -0.0015086900000000 ] - [ -0.0002342600000000, 0.0001682600000000, -0.0012861400000000 ] - [ -0.0140078200000000, -0.0085631300000000, -0.0001999300000000 ] - [ -0.0000666400000000, -0.0006698100000000, -0.0000551300000000 ] - [ -0.0006016700000000, 0.0014134600000000, 0.0029512600000000 ] - [ -0.0000262800000000, -0.0010490800000000, -0.0000014900000000 ] - [ -0.0032655900000000, 0.0023637600000000, -0.0028472500000000 ] - [ -0.0000202900000000, -0.0007035100000000, -0.0002311000000000 ] - [ 0.0000064000000000, -0.0003266900000000, 0.0005291300000000 ] - [ 0.0002714100000000, 0.0003969000000000, 0.0009701200000000 ] - [ 0.0004522900000000, -0.0006399100000000, 0.0005481800000000 ] - [ -0.0001181500000000, -0.0006861800000000, -0.0001104400000000 ] - [ 0.0003537200000000, 0.0005671500000000, -0.0006691200000000 ] - [ 0.0000362900000000, -0.0005645500000000, -0.0002957600000000 ] - [ -0.0000382900000000, 0.0005077300000000, 0.0001418900000000 ] - [ -0.0004355700000000, 0.0002289600000000, 0.0011647300000000 ] - [ -0.0010909200000000, 0.0004439500000000, -0.0000207500000000 ] - [ -0.0007883200000000, -0.0004553100000000, -0.0002084400000000 ] - [ 0.0000460400000000, 0.0004955900000000, 0.0002076500000000 ] - [ 0.0004070100000000, 0.0001976000000000, 0.0011821200000000 ] - [ -0.0010899500000000, 0.0002568900000000, 0.0019337900000000 ] - [ 0.0008071400000000, -0.0004393000000000, -0.0002408400000000 ] - [ 0.0013310900000000, 0.0023879700000000, -0.0005204400000000 ] - [ 0.0004303000000000, -0.0003323300000000, -0.0000758800000000 ] - [ 0.0000029200000000, -0.0001000900000000, 0.0012207200000000 ] - [ -0.0003512000000000, 0.0008812100000000, 0.0020885500000000 ] - [ -0.0000736800000000, -0.0003079800000000, 0.0008095800000000 ] - [ -0.0003335500000000, 0.0015460100000000, 0.0001385200000000 ] - [ -0.0011520000000000, 0.0016143300000000, -0.0005848500000000 ] - [ -0.0004120900000000, -0.0002606000000000, -0.0000569700000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025096200000000, 0.0006909000000000, 0.0038345500000000 ] - [ 0.0000054700000000, -0.0006945400000000, 0.0004474300000000 ] - [ 0.0001556900000000, 0.0005214400000000, 0.0003579500000000 ] - [ -0.0000198800000000, 0.0001674800000000, 0.0001103000000000 ] - [ -0.0000934700000000, 0.0001310500000000, -0.0000879600000000 ] - [ 0.0000056200000000, -0.0000925900000000, 0.0001625900000000 ] - [ 0.0015611600000000, -0.0017644300000000, -0.0003194300000000 ] - [ 0.0000846400000000, 0.0002341800000000, 0.0004571000000000 ] - [ -0.0000039900000000, 0.0006823500000000, -0.0006577200000000 ] - [ 0.0031027000000000, -0.0031043600000000, -0.0077611800000000 ] - [ 0.0000165700000000, -0.0003607600000000, -0.0005603900000000 ] - [ 0.0001266600000000, -0.0008230700000000, -0.0007595900000000 ] - [ 0.0007945600000000, 0.0006560300000000, -0.0004039900000000 ] - [ 0.0011076100000000, 0.0002382000000000, -0.0004381700000000 ] - [ -0.0028614900000000, -0.0008583800000000, 0.0001033300000000 ] - [ -0.0003492400000000, -0.0001676000000000, -0.0003921500000000 ] - [ 0.0028959300000000, -0.0093932900000000, -0.0224428300000000 ] - [ -0.0002795900000000, -0.0002335800000000, 0.0000099400000000 ] - [ 0.0010815000000000, -0.0003334800000000, -0.0005176800000000 ] - [ 0.0006910300000000, -0.0005547100000000, -0.0003385300000000 ] - [ -0.0549603900000000, 0.0044326900000000, 0.0447716400000000 ] - [ 0.0002586000000000, 0.0002506700000000, 0.0004382500000000 ] - [ 0.0015757900000000, 0.0003172100000000, 0.0004388100000000 ] - [ -0.0002558300000000, 0.0002501600000000, 0.0004498800000000 ] - [ 0.0002862800000000, -0.0002409900000000, 0.0002716000000000 ] - [ 0.0002907200000000, -0.0001995300000000, 0.0001634100000000 ] - [ 0.0001474300000000, -0.0004521300000000, -0.0000112400000000 ] - [ 0.0001660600000000, -0.0003565000000000, 0.0000488300000000 ] - [ 0.0000052100000000, 0.0006450800000000, 0.0002229800000000 ] - [ 0.0000000900000000, 0.0006547500000000, 0.0003490500000000 ] - [ 0.0001208200000000, 0.0001033900000000, -0.0000894300000000 ] - [ 0.0001081500000000, 0.0000108000000000, -0.0002254900000000 ] - [ -0.0002694000000000, -0.0002651200000000, 0.0002552100000000 ] - [ -0.0002976200000000, -0.0001917500000000, 0.0001457800000000 ] - [ -0.0003010600000000, 0.0001023400000000, -0.0004066500000000 ] - [ -0.0004608500000000, 0.0000365200000000, -0.0003992600000000 ] - [ -0.0010678500000000, 0.0005581900000000, -0.0005140100000000 ] - [ -0.0010857800000000, 0.0002352300000000, -0.0004201400000000 ] - [ 0.0009525500000000, -0.0007608400000000, 0.0001529100000000 ] - [ 0.0002689100000000, -0.0002331400000000, -0.0000008700000000 ] - [ -0.0000706300000000, 0.0006219500000000, 0.0003575300000000 ] - [ 0.0000014300000000, 0.0003760700000000, 0.0005823100000000 ] - [ 0.0010101900000000, -0.0001499200000000, -0.0002532900000000 ] - [ 0.0003540000000000, -0.0001537200000000, -0.0003903800000000 ] - [ -0.0001551900000000, 0.0001295800000000, -0.0000903300000000 ] - [ -0.0001651400000000, 0.0000783300000000, -0.0001930300000000 ] - [ 0.0000484300000000, -0.0004148200000000, 0.0005368900000000 ] - [ 0.0000048500000000, -0.0003710000000000, 0.0010207000000000 ] - [ -0.0013250200000000, 0.0016735000000000, 0.0009317100000000 ] - [ 0.0001701800000000, 0.0002830500000000, 0.0000332700000000 ] - [ -0.0000845600000000, -0.0007806000000000, 0.0000980300000000 ] - [ -0.0001697700000000, -0.0003554200000000, 0.0000392800000000 ] - [ -0.0007191700000000, -0.0004826700000000, -0.0003192600000000 ] - [ -0.0006866900000000, -0.0005529300000000, -0.0003362700000000 ] - [ -0.0000113600000000, -0.0004289700000000, 0.0007646900000000 ] - [ 0.0000224300000000, -0.0010316600000000, 0.0007472200000000 ] - [ 0.0002660500000000, 0.0000828400000000, -0.0003907600000000 ] - [ 0.0002620100000000, 0.0003030200000000, -0.0005398900000000 ] - [ 0.0002757900000000, 0.0010504800000000, -0.0001317700000000 ] - [ -0.0001679100000000, 0.0002861700000000, 0.0000372000000000 ] - [ 0.0389012000000000, 0.0041230500000000, -0.0285614400000000 ] - [ 0.0000485400000000, -0.0002637200000000, -0.0002146100000000 ] - [ 0.0003400700000000, -0.0011200000000000, -0.0005474400000000 ] - [ -0.0000805900000000, -0.0004210400000000, -0.0000360200000000 ] - [ 0.0000264900000000, -0.0004763900000000, -0.0001466500000000 ] - [ 0.0000013600000000, -0.0002245200000000, -0.0003167700000000 ] - [ -0.0007806500000000, 0.0002524600000000, -0.0001924800000000 ] - [ -0.0006485700000000, -0.0001622400000000, -0.0001067600000000 ] - [ 0.0006622700000000, 0.0000457400000000, -0.0001917000000000 ] - [ 0.0006922500000000, -0.0002138000000000, -0.0000771600000000 ] - [ 0.0002816200000000, 0.0005527300000000, -0.0007835300000000 ] - [ 0.0000090900000000, 0.0004840700000000, -0.0008171500000000 ] - [ 0.0004590500000000, 0.0013605600000000, 0.0010408400000000 ] - [ 0.0000050900000000, 0.0001524100000000, 0.0008019100000000 ] - [ -0.0001478400000000, -0.0006246600000000, 0.0004182300000000 ] - [ -0.0000307500000000, -0.0003426000000000, 0.0002983300000000 ] - [ -0.0019801700000000, -0.0004222900000000, -0.0009698300000000 ] - [ -0.0000669300000000, -0.0002831800000000, -0.0002083200000000 ] - [ -0.0000183800000000, 0.0000512900000000, 0.0001908900000000 ] - [ 0.0013097700000000, 0.0006788700000000, 0.0006529300000000 ] - [ -0.0000344500000000, -0.0011086600000000, -0.0000524300000000 ] - [ 0.0000571800000000, -0.0004107100000000, -0.0000430500000000 ] - [ 0.0007754300000000, -0.0006708000000000, 0.0003670500000000 ] - [ 0.0000141700000000, 0.0000742600000000, 0.0002068100000000 ] - [ -0.0000674500000000, 0.0003381900000000, -0.0000310800000000 ] - [ -0.0000193400000000, 0.0003953500000000, 0.0001271800000000 ] - [ -0.0018129400000000, 0.0001709000000000, 0.0006653200000000 ] - [ -0.0007259800000000, 0.0000565700000000, -0.0003182700000000 ] - [ 0.0000735400000000, 0.0003644400000000, -0.0000486800000000 ] - [ 0.0000804500000000, 0.0004415700000000, 0.0001483700000000 ] - [ 0.0121176100000000, 0.0020076400000000, 0.0066418900000000 ] - [ 0.0007240500000000, 0.0000537200000000, -0.0003094800000000 ] - [ -0.0000243700000000, 0.0014495500000000, 0.0012565700000000 ] - [ 0.0003612900000000, 0.0007029100000000, -0.0000528900000000 ] - [ 0.0000163700000000, 0.0001232000000000, 0.0007482200000000 ] - [ 0.0001862900000000, -0.0001646100000000, 0.0008458800000000 ] - [ 0.0000998300000000, 0.0003691900000000, 0.0001656200000000 ] - [ -0.0000992000000000, 0.0012907000000000, 0.0005365100000000 ] - [ -0.0001937400000000, 0.0006653400000000, 0.0000217100000000 ] - [ -0.0003653300000000, 0.0007033300000000, -0.0000571500000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024883000000000, -0.0015665700000000, -0.0031007700000000 ] - [ -0.0000047500000000, -0.0002097600000000, 0.0002311100000000 ] - [ -0.0001498200000000, 0.0003847100000000, 0.0003201800000000 ] - [ 0.0000212300000000, 0.0007349900000000, 0.0005669000000000 ] - [ 0.0000902200000000, -0.0001902400000000, 0.0006020900000000 ] - [ -0.0000060200000000, 0.0000345500000000, 0.0003522300000000 ] - [ -0.0015471500000000, 0.0018409300000000, 0.0008422900000000 ] - [ -0.0000824300000000, -0.0001767900000000, 0.0000554000000000 ] - [ 0.0000043800000000, 0.0006248200000000, -0.0004577700000000 ] - [ -0.0031884400000000, 0.0043765100000000, 0.0065999100000000 ] - [ -0.0000059100000000, -0.0009357300000000, -0.0005370000000000 ] - [ -0.0001230700000000, -0.0004851300000000, -0.0003521200000000 ] - [ 0.0006851500000000, 0.0003629900000000, -0.0002697800000000 ] - [ 0.0003708900000000, 0.0007801100000000, -0.0002341600000000 ] - [ 0.0022342200000000, 0.0005924300000000, -0.0009049100000000 ] - [ -0.0002829500000000, -0.0000870500000000, -0.0004000100000000 ] - [ -0.0031312200000000, 0.0088553700000000, 0.0226788800000000 ] - [ -0.0000823100000000, -0.0000752800000000, -0.0001334500000000 ] - [ 0.0004078800000000, -0.0006806500000000, -0.0001665000000000 ] - [ 0.0007916000000000, -0.0004617200000000, -0.0003351600000000 ] - [ 0.0543719800000000, -0.0029665400000000, -0.0419724800000000 ] - [ 0.0002812200000000, 0.0002707600000000, 0.0002885600000000 ] - [ -0.0020998100000000, 0.0001991300000000, 0.0002763000000000 ] - [ -0.0002841800000000, 0.0002711800000000, 0.0002771500000000 ] - [ 0.0002534700000000, -0.0002802400000000, 0.0004559500000000 ] - [ 0.0002489900000000, -0.0003223000000000, 0.0005660700000000 ] - [ 0.0001355900000000, -0.0003995700000000, 0.0000493200000000 ] - [ 0.0001164200000000, -0.0004976500000000, -0.0000113600000000 ] - [ -0.0000054100000000, 0.0007037200000000, 0.0007089400000000 ] - [ -0.0000001700000000, 0.0006942500000000, 0.0005826400000000 ] - [ 0.0002415000000000, 0.0002059600000000, -0.0000332400000000 ] - [ 0.0002575000000000, 0.0003014100000000, 0.0001054800000000 ] - [ -0.0002701900000000, -0.0002564500000000, 0.0004716800000000 ] - [ -0.0002422700000000, -0.0003300200000000, 0.0005832300000000 ] - [ -0.0003316100000000, 0.0001523400000000, -0.0003852100000000 ] - [ -0.0001717900000000, 0.0002188800000000, -0.0003939400000000 ] - [ -0.0004196500000000, 0.0004518300000000, -0.0001566000000000 ] - [ -0.0003957300000000, 0.0007840500000000, -0.0002529100000000 ] - [ -0.0005858600000000, 0.0004379200000000, -0.0002620000000000 ] - [ 0.0000927600000000, -0.0000758100000000, -0.0001226900000000 ] - [ 0.0000718400000000, 0.0001958200000000, 0.0007946200000000 ] - [ -0.0000015100000000, 0.0004391300000000, 0.0005728100000000 ] - [ -0.0003745700000000, -0.0001088400000000, -0.0005427300000000 ] - [ 0.0002782300000000, -0.0001006200000000, -0.0004016000000000 ] - [ -0.0002079300000000, 0.0001802000000000, -0.0000326600000000 ] - [ -0.0002051600000000, 0.0002365800000000, 0.0000726500000000 ] - [ -0.0000486100000000, -0.0003986300000000, 0.0006215000000000 ] - [ -0.0000090800000000, -0.0004466600000000, 0.0001309200000000 ] - [ 0.0016256400000000, -0.0008328900000000, -0.0008708400000000 ] - [ 0.0001124100000000, 0.0005707600000000, 0.0000044200000000 ] - [ -0.0001967700000000, -0.0000779100000000, -0.0000605900000000 ] - [ -0.0001130800000000, -0.0004981500000000, -0.0000019500000000 ] - [ -0.0007623300000000, -0.0005341300000000, -0.0003537600000000 ] - [ -0.0007958200000000, -0.0004637800000000, -0.0003373200000000 ] - [ 0.0000094100000000, -0.0009188800000000, 0.0001636400000000 ] - [ -0.0000259000000000, -0.0003156800000000, 0.0001820400000000 ] - [ 0.0003655400000000, 0.0001715800000000, -0.0004005000000000 ] - [ 0.0003683400000000, -0.0000454700000000, -0.0002552400000000 ] - [ -0.0005587500000000, -0.0001930700000000, 0.0001656200000000 ] - [ -0.0001150400000000, 0.0005670400000000, 0.0000005600000000 ] - [ -0.0380622100000000, -0.0055636600000000, 0.0259009000000000 ] - [ -0.0001458000000000, -0.0004314700000000, -0.0000264300000000 ] - [ -0.0009357500000000, -0.0002638300000000, 0.0004513100000000 ] - [ -0.0005073000000000, -0.0009742000000000, -0.0000514200000000 ] - [ -0.0000275400000000, -0.0001249200000000, -0.0006925500000000 ] - [ -0.0000011200000000, -0.0003749300000000, -0.0005238200000000 ] - [ -0.0006238300000000, -0.0002271400000000, -0.0003637000000000 ] - [ -0.0007567400000000, 0.0001860500000000, -0.0004542600000000 ] - [ 0.0007391100000000, -0.0000258100000000, -0.0003629700000000 ] - [ 0.0007122400000000, 0.0002373600000000, -0.0004843300000000 ] - [ -0.0002768600000000, 0.0000395500000000, -0.0000606600000000 ] - [ -0.0000049600000000, 0.0001149500000000, -0.0000194100000000 ] - [ -0.0004705500000000, -0.0015266600000000, 0.0002667200000000 ] - [ -0.0000055400000000, -0.0003380000000000, 0.0005408000000000 ] - [ 0.0001433500000000, -0.0004139800000000, -0.0000847100000000 ] - [ 0.0000300800000000, -0.0006905300000000, 0.0000355500000000 ] - [ 0.0020552800000000, -0.0002681800000000, 0.0007204100000000 ] - [ 0.0001634100000000, -0.0004118300000000, -0.0000319000000000 ] - [ 0.0000172700000000, -0.0000449700000000, 0.0002187000000000 ] - [ -0.0013144800000000, -0.0006647500000000, -0.0002363000000000 ] - [ 0.0006188600000000, -0.0002916000000000, -0.0000322400000000 ] - [ 0.0005310700000000, -0.0009847800000000, -0.0000446700000000 ] - [ -0.0007727800000000, 0.0006654100000000, 0.0000416500000000 ] - [ -0.0000138600000000, -0.0000818800000000, 0.0002004400000000 ] - [ -0.0000280600000000, 0.0003568800000000, -0.0002106900000000 ] - [ -0.0000706900000000, 0.0002953300000000, -0.0003715100000000 ] - [ 0.0004164700000000, -0.0001783600000000, -0.0012008600000000 ] - [ -0.0006759300000000, -0.0000787200000000, -0.0002375000000000 ] - [ 0.0000215300000000, 0.0003304800000000, -0.0001927500000000 ] - [ 0.0000130900000000, 0.0002520800000000, -0.0003914200000000 ] - [ -0.0106135100000000, -0.0020136300000000, -0.0071938200000000 ] - [ 0.0006778700000000, -0.0000757300000000, -0.0002445900000000 ] - [ 0.0006160000000000, -0.0000426800000000, -0.0013146200000000 ] - [ 0.0002237600000000, 0.0006920700000000, -0.0000335200000000 ] - [ -0.0000161400000000, 0.0000593500000000, 0.0005975900000000 ] - [ -0.0001608400000000, 0.0003365500000000, 0.0004759200000000 ] - [ -0.0000965500000000, 0.0006630400000000, 0.0001702600000000 ] - [ 0.0001137900000000, -0.0002642500000000, -0.0001988100000000 ] - [ -0.0003916500000000, 0.0007274300000000, -0.0001141300000000 ] - [ -0.0002199100000000, 0.0006921900000000, -0.0000305400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014320000000000, 0.0003711100000000, 0.0028157700000000 ] - [ 0.0000191500000000, 0.0001413000000000, 0.0000304200000000 ] - [ -0.0003579400000000, 0.0002838200000000, -0.0002071500000000 ] - [ 0.0000225400000000, 0.0011931100000000, 0.0008329600000000 ] - [ -0.0000053200000000, -0.0005821500000000, 0.0008896100000000 ] - [ 0.0000046500000000, 0.0003038300000000, 0.0004601500000000 ] - [ -0.0025251500000000, 0.0025628900000000, 0.0008074800000000 ] - [ 0.0002777900000000, 0.0005019000000000, -0.0002750500000000 ] - [ -0.0000207200000000, 0.0020166800000000, -0.0010193100000000 ] - [ -0.0098204200000000, 0.0060651300000000, 0.0042491900000000 ] - [ -0.0002709800000000, -0.0013558100000000, 0.0015764400000000 ] - [ -0.0000478700000000, -0.0002029800000000, -0.0000901700000000 ] - [ 0.0010000000000000, 0.0003991500000000, -0.0005906600000000 ] - [ -0.0001575700000000, 0.0011599000000000, -0.0000656300000000 ] - [ 0.0020547000000000, 0.0010321800000000, 0.0008106300000000 ] - [ -0.0002523400000000, 0.0000261800000000, -0.0004307100000000 ] - [ -0.0007626600000000, -0.0112243200000000, -0.0184989300000000 ] - [ 0.0000287700000000, 0.0001111000000000, -0.0002317600000000 ] - [ 0.0005945400000000, -0.0004708200000000, 0.0000389900000000 ] - [ 0.0008557400000000, -0.0003935900000000, -0.0003452200000000 ] - [ 0.0039741000000000, -0.0740429800000000, -0.0842451100000000 ] - [ 0.0002593600000000, 0.0004247500000000, 0.0004409800000000 ] - [ -0.0003336500000000, -0.0007509900000000, -0.0011818700000000 ] - [ -0.0002589900000000, 0.0004328600000000, 0.0004702200000000 ] - [ 0.0002502100000000, -0.0002874900000000, 0.0004989900000000 ] - [ 0.0002085100000000, -0.0004886900000000, 0.0010522100000000 ] - [ 0.0001573800000000, -0.0003174500000000, 0.0001457300000000 ] - [ 0.0000684700000000, -0.0006477000000000, -0.0000389100000000 ] - [ 0.0000031700000000, 0.0007657800000000, 0.0009915900000000 ] - [ -0.0000011500000000, 0.0007229600000000, 0.0006975600000000 ] - [ 0.0002025300000000, 0.0001970000000000, -0.0001186500000000 ] - [ 0.0007446300000000, 0.0006757100000000, 0.0004558700000000 ] - [ -0.0002742600000000, -0.0002759300000000, 0.0004637400000000 ] - [ -0.0002009900000000, -0.0004644700000000, 0.0010152000000000 ] - [ -0.0003102400000000, 0.0001874500000000, -0.0003262000000000 ] - [ -0.0000886100000000, 0.0001127200000000, -0.0003151300000000 ] - [ -0.0004209000000000, 0.0012354200000000, -0.0010277200000000 ] - [ -0.0001115600000000, 0.0012208800000000, -0.0000480800000000 ] - [ -0.0000780700000000, -0.0003072900000000, -0.0000209900000000 ] - [ -0.0000456600000000, 0.0001314400000000, -0.0002352800000000 ] - [ 0.0001693600000000, -0.0001739700000000, 0.0011253600000000 ] - [ 0.0000004100000000, 0.0006130200000000, 0.0004515300000000 ] - [ 0.0004061500000000, -0.0002253500000000, -0.0003778100000000 ] - [ 0.0002415400000000, -0.0000077500000000, -0.0004302300000000 ] - [ -0.0001572500000000, 0.0001514500000000, -0.0001073100000000 ] - [ -0.0010266100000000, 0.0007918500000000, 0.0004708400000000 ] - [ -0.0000942800000000, 0.0000605300000000, 0.0009484600000000 ] - [ -0.0002127300000000, -0.0009037600000000, -0.0001804000000000 ] - [ 0.0011270100000000, -0.0037179700000000, -0.0030296300000000 ] - [ -0.0000084300000000, 0.0010998100000000, -0.0000816800000000 ] - [ -0.0001968600000000, -0.0002365000000000, 0.0000259700000000 ] - [ -0.0000687200000000, -0.0006354300000000, -0.0000518600000000 ] - [ -0.0007278000000000, -0.0005604600000000, -0.0002333100000000 ] - [ -0.0008574800000000, -0.0003941900000000, -0.0003465100000000 ] - [ 0.0003011700000000, -0.0000117100000000, 0.0001876600000000 ] - [ -0.0003369300000000, -0.0000922100000000, -0.0003383100000000 ] - [ 0.0003230800000000, 0.0001900400000000, -0.0003336200000000 ] - [ 0.0002943500000000, -0.0002092700000000, -0.0001332800000000 ] - [ -0.0004173700000000, -0.0008682800000000, 0.0000302100000000 ] - [ 0.0000048000000000, 0.0010809700000000, -0.0000650900000000 ] - [ -0.0037766100000000, 0.0713900800000000, 0.1104527000000000 ] - [ -0.0000694300000000, -0.0007942500000000, -0.0000010900000000 ] - [ -0.0006767200000000, 0.0009907300000000, 0.0019773800000000 ] - [ -0.0006316500000000, -0.0015922800000000, -0.0000953800000000 ] - [ -0.0000786500000000, 0.0002556400000000, -0.0009418700000000 ] - [ 0.0000012900000000, -0.0006217100000000, -0.0005726900000000 ] - [ -0.0006264700000000, -0.0002155000000000, -0.0004143100000000 ] - [ -0.0008960200000000, 0.0004925000000000, -0.0009166800000000 ] - [ 0.0006748900000000, -0.0001381200000000, -0.0004487700000000 ] - [ 0.0009341900000000, 0.0005475600000000, -0.0011489000000000 ] - [ 0.0000340400000000, -0.0004221300000000, -0.0009583700000000 ] - [ 0.0002945700000000, 0.0000777000000000, 0.0005503900000000 ] - [ 0.0033186600000000, 0.0031970100000000, -0.0006335900000000 ] - [ -0.0000191700000000, -0.0006982600000000, 0.0003988700000000 ] - [ 0.0000891800000000, -0.0004138700000000, -0.0003855300000000 ] - [ 0.0000149800000000, -0.0009049800000000, -0.0001070300000000 ] - [ -0.0001029200000000, 0.0005926300000000, 0.0005309300000000 ] - [ 0.0000193300000000, -0.0008689400000000, 0.0000010100000000 ] - [ 0.0000402100000000, -0.0002880600000000, 0.0003700600000000 ] - [ -0.0012840200000000, -0.0005333400000000, -0.0007641800000000 ] - [ 0.0005069100000000, 0.0001997000000000, 0.0003823200000000 ] - [ 0.0007856000000000, -0.0016104500000000, -0.0001808000000000 ] - [ -0.0007848200000000, 0.0009881600000000, -0.0002121400000000 ] - [ -0.0000066100000000, -0.0004148100000000, -0.0000039800000000 ] - [ 0.0000176100000000, 0.0004543900000000, -0.0001266300000000 ] - [ 0.0004113800000000, -0.0001272500000000, -0.0010235500000000 ] - [ 0.0014034100000000, 0.0012605400000000, 0.0004583600000000 ] - [ -0.0009082700000000, -0.0007498600000000, -0.0002382000000000 ] - [ -0.0000091200000000, 0.0003952000000000, 0.0000001700000000 ] - [ -0.0002040200000000, 0.0000080600000000, -0.0009105600000000 ] - [ 0.0037258400000000, 0.0048666700000000, -0.0106303200000000 ] - [ 0.0008949900000000, -0.0007184500000000, -0.0002269500000000 ] - [ 0.0003907800000000, 0.0001855900000000, -0.0004291100000000 ] - [ 0.0001583600000000, 0.0006849700000000, 0.0000102000000000 ] - [ -0.0000199200000000, -0.0001869400000000, 0.0009560000000000 ] - [ 0.0014934400000000, -0.0013269500000000, -0.0017514500000000 ] - [ -0.0002587700000000, -0.0004664700000000, 0.0008517700000000 ] - [ 0.0010321100000000, -0.0012955700000000, -0.0002818900000000 ] - [ -0.0003096900000000, 0.0006997100000000, -0.0005128600000000 ] - [ -0.0001555300000000, 0.0006879500000000, 0.0000144800000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014791600000000, -0.0013208000000000, -0.0021440700000000 ] - [ -0.0000186800000000, -0.0010464000000000, 0.0006525100000000 ] - [ 0.0003497300000000, 0.0006247300000000, 0.0008748900000000 ] - [ -0.0000216600000000, -0.0002851800000000, -0.0001587200000000 ] - [ 0.0000034700000000, 0.0005234300000000, -0.0003862200000000 ] - [ -0.0000047600000000, -0.0003603000000000, 0.0000517100000000 ] - [ 0.0024992900000000, -0.0025058700000000, -0.0002707900000000 ] - [ -0.0002800800000000, -0.0004415800000000, 0.0007925000000000 ] - [ 0.0000209300000000, -0.0006985500000000, -0.0001030100000000 ] - [ 0.0098847800000000, -0.0047754900000000, -0.0054092100000000 ] - [ 0.0002762700000000, 0.0000584200000000, -0.0026937100000000 ] - [ 0.0000515000000000, -0.0011089500000000, -0.0010180900000000 ] - [ 0.0004855800000000, 0.0006163500000000, -0.0000843600000000 ] - [ 0.0016443600000000, -0.0001453400000000, -0.0006094700000000 ] - [ -0.0026910400000000, -0.0012905900000000, -0.0016130200000000 ] - [ -0.0003814900000000, -0.0002804200000000, -0.0003617900000000 ] - [ 0.0002483900000000, 0.0109852700000000, 0.0181350200000000 ] - [ -0.0003927300000000, -0.0004218700000000, 0.0001097900000000 ] - [ 0.0008954300000000, -0.0005427100000000, -0.0007254700000000 ] - [ 0.0006264000000000, -0.0006231700000000, -0.0003284800000000 ] - [ -0.0034310700000000, 0.0760301800000000, 0.0832383000000000 ] - [ 0.0002801100000000, 0.0000965600000000, 0.0002872400000000 ] - [ -0.0002160700000000, 0.0012729600000000, 0.0019198400000000 ] - [ -0.0002807500000000, 0.0000882200000000, 0.0002571800000000 ] - [ 0.0002898900000000, -0.0002332700000000, 0.0002257500000000 ] - [ 0.0003318800000000, -0.0000300500000000, -0.0003305200000000 ] - [ 0.0001255000000000, -0.0005378300000000, -0.0001074400000000 ] - [ 0.0002157000000000, -0.0001998600000000, 0.0000775900000000 ] - [ -0.0000027700000000, 0.0005820200000000, -0.0000681000000000 ] - [ 0.0000010900000000, 0.0006257600000000, 0.0002317500000000 ] - [ 0.0001597200000000, 0.0001128200000000, -0.0000058800000000 ] - [ -0.0003816500000000, -0.0003653000000000, -0.0005788000000000 ] - [ -0.0002663000000000, -0.0002450700000000, 0.0002583600000000 ] - [ -0.0003396100000000, -0.0000544500000000, -0.0002935800000000 ] - [ -0.0003224400000000, 0.0000671700000000, -0.0004654700000000 ] - [ -0.0005505800000000, 0.0001433100000000, -0.0004793600000000 ] - [ -0.0010497900000000, -0.0002048900000000, 0.0003466100000000 ] - [ -0.0013719300000000, -0.0002059300000000, -0.0006277000000000 ] - [ 0.0004429200000000, 0.0000038700000000, -0.0001062000000000 ] - [ 0.0004104000000000, -0.0004427300000000, 0.0001139100000000 ] - [ -0.0001708400000000, 0.0009894100000000, 0.0000279400000000 ] - [ -0.0000004500000000, 0.0002037000000000, 0.0007017400000000 ] - [ 0.0002245300000000, -0.0000286000000000, -0.0004131900000000 ] - [ 0.0003920100000000, -0.0002478200000000, -0.0003619300000000 ] - [ -0.0002042400000000, 0.0001571600000000, -0.0000171200000000 ] - [ 0.0006627100000000, -0.0004802000000000, -0.0005944100000000 ] - [ 0.0000907700000000, -0.0008737600000000, 0.0002083800000000 ] - [ 0.0002141800000000, 0.0000987400000000, 0.0013414100000000 ] - [ -0.0008510200000000, 0.0045652700000000, 0.0030695600000000 ] - [ 0.0002915300000000, -0.0002470600000000, 0.0001195500000000 ] - [ -0.0000838200000000, -0.0006290500000000, 0.0000126000000000 ] - [ -0.0002156000000000, -0.0002122200000000, 0.0000905100000000 ] - [ -0.0007515300000000, -0.0004579800000000, -0.0004409900000000 ] - [ -0.0006245300000000, -0.0006227800000000, -0.0003271200000000 ] - [ -0.0002952900000000, -0.0013305000000000, 0.0007495600000000 ] - [ 0.0003410300000000, -0.0012590800000000, 0.0012732800000000 ] - [ 0.0003085400000000, 0.0000642300000000, -0.0004576400000000 ] - [ 0.0003435000000000, 0.0004692800000000, -0.0006611200000000 ] - [ 0.0001333100000000, 0.0017156100000000, 0.0000092900000000 ] - [ -0.0002878400000000, -0.0002272100000000, 0.0001025600000000 ] - [ 0.0038318600000000, -0.0734503700000000, -0.1089087300000000 ] - [ -0.0000245500000000, 0.0001008100000000, -0.0002414900000000 ] - [ 0.0000972100000000, -0.0023978500000000, -0.0020514800000000 ] - [ 0.0000455400000000, 0.0001988700000000, 0.0000071600000000 ] - [ 0.0000809200000000, -0.0008524100000000, 0.0001103800000000 ] - [ -0.0000010700000000, 0.0000222800000000, -0.0002643400000000 ] - [ -0.0007808400000000, 0.0002461900000000, -0.0001407600000000 ] - [ -0.0005079700000000, -0.0004754500000000, 0.0003641900000000 ] - [ 0.0007291300000000, 0.0001629100000000, -0.0001058000000000 ] - [ 0.0004694000000000, -0.0005307900000000, 0.0005973000000000 ] - [ -0.0000338000000000, 0.0010225600000000, 0.0001022300000000 ] - [ -0.0002975400000000, 0.0005170000000000, -0.0013969800000000 ] - [ -0.0032932400000000, -0.0033828500000000, 0.0019779300000000 ] - [ 0.0000180400000000, 0.0005151600000000, 0.0009430800000000 ] - [ -0.0000941600000000, -0.0006244800000000, 0.0007277100000000 ] - [ -0.0000155400000000, -0.0001282500000000, 0.0004422200000000 ] - [ 0.0002172500000000, -0.0012801600000000, -0.0007735200000000 ] - [ 0.0000745700000000, 0.0001770100000000, -0.0002426400000000 ] - [ -0.0000392300000000, 0.0002926600000000, 0.0000425600000000 ] - [ 0.0012829700000000, 0.0005399000000000, 0.0011795700000000 ] - [ 0.0000811500000000, -0.0015891000000000, -0.0004696300000000 ] - [ -0.0002010200000000, 0.0002175700000000, 0.0000952900000000 ] - [ 0.0007885200000000, -0.0010093900000000, 0.0006318800000000 ] - [ 0.0000071300000000, 0.0004074500000000, 0.0004123400000000 ] - [ -0.0001118800000000, 0.0002414900000000, -0.0001112100000000 ] - [ -0.0005050500000000, 0.0008174800000000, 0.0007867500000000 ] - [ -0.0028110300000000, -0.0012877200000000, -0.0010249400000000 ] - [ -0.0004975600000000, 0.0007240700000000, -0.0003185900000000 ] - [ 0.0001030000000000, 0.0002987800000000, -0.0002326100000000 ] - [ 0.0002986000000000, 0.0006838600000000, 0.0006743200000000 ] - [ -0.0023614700000000, -0.0050283600000000, 0.0102745300000000 ] - [ 0.0005102200000000, 0.0006939500000000, -0.0003279700000000 ] - [ 0.0002000300000000, 0.0012328800000000, 0.0003868500000000 ] - [ 0.0004296200000000, 0.0007059400000000, -0.0000984000000000 ] - [ 0.0000195800000000, 0.0003686800000000, 0.0003950300000000 ] - [ -0.0014861900000000, 0.0015082100000000, 0.0030878400000000 ] - [ 0.0002522800000000, 0.0014907100000000, -0.0005144900000000 ] - [ -0.0010418900000000, 0.0023377800000000, 0.0006253300000000 ] - [ -0.0002774200000000, 0.0006984800000000, 0.0004267700000000 ] - [ -0.0004333400000000, 0.0007028900000000, -0.0001040700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0072043000000000, 0.0031358900000000, 0.0072517800000000 ] - [ -0.0000117000000000, -0.0002826800000000, 0.0001230300000000 ] - [ 0.0007721800000000, -0.0006371300000000, 0.0010152000000000 ] - [ 0.0000773300000000, 0.0024991500000000, 0.0013505400000000 ] - [ 0.0000509500000000, -0.0012157600000000, 0.0026829900000000 ] - [ 0.0000140200000000, 0.0005464700000000, 0.0010664100000000 ] - [ -0.0029239000000000, 0.0031400600000000, -0.0033011200000000 ] - [ -0.0000145600000000, -0.0003101600000000, -0.0015633000000000 ] - [ -0.0001693900000000, 0.0010014400000000, -0.0007684900000000 ] - [ -0.0258699400000000, 0.0151065800000000, 0.0037607600000000 ] - [ -0.0001416100000000, -0.0020025400000000, 0.0051995000000000 ] - [ -0.0002486400000000, 0.0001303200000000, 0.0002337200000000 ] - [ 0.0007176800000000, 0.0000864000000000, -0.0008134300000000 ] - [ -0.0010891000000000, 0.0018215500000000, 0.0002709300000000 ] - [ 0.0078300100000000, 0.0030243500000000, 0.0020455000000000 ] - [ -0.0002233700000000, -0.0000608900000000, -0.0005361700000000 ] - [ -0.0097980600000000, -0.0000919300000000, 0.0171063900000000 ] - [ 0.0001222900000000, 0.0002228000000000, -0.0002776400000000 ] - [ 0.0001377900000000, -0.0007866400000000, 0.0008327200000000 ] - [ 0.0008030500000000, -0.0004434900000000, -0.0002601300000000 ] - [ 0.0457254600000000, -0.0887619200000000, -0.2720340600000000 ] - [ 0.0003436900000000, 0.0003360000000000, -0.0000829800000000 ] - [ -0.0003497700000000, -0.0012729700000000, -0.0044656000000000 ] - [ -0.0003547500000000, 0.0003658600000000, -0.0000779000000000 ] - [ 0.0001783300000000, -0.0003961500000000, 0.0009955000000000 ] - [ 0.0000701100000000, -0.0009451200000000, 0.0025208500000000 ] - [ 0.0002125000000000, 0.0000004200000000, 0.0002715000000000 ] - [ -0.0000149100000000, -0.0011247500000000, 0.0000163700000000 ] - [ -0.0000509500000000, 0.0009585200000000, 0.0025259200000000 ] - [ -0.0000019100000000, 0.0008046200000000, 0.0011673000000000 ] - [ 0.0002061800000000, 0.0001265600000000, 0.0000274900000000 ] - [ 0.0017917400000000, 0.0017240200000000, 0.0014719600000000 ] - [ -0.0001617700000000, -0.0003630500000000, 0.0011596600000000 ] - [ -0.0000530500000000, -0.0009088200000000, 0.0024082500000000 ] - [ -0.0002444800000000, 0.0002225200000000, -0.0002163300000000 ] - [ 0.0007060900000000, -0.0002299300000000, -0.0000563300000000 ] - [ -0.0019990600000000, -0.0008096200000000, -0.0011702500000000 ] - [ 0.0005782800000000, 0.0020395100000000, -0.0000075600000000 ] - [ -0.0008471600000000, -0.0001321100000000, -0.0002292100000000 ] - [ -0.0001030800000000, 0.0002454700000000, -0.0002461800000000 ] - [ 0.0004293800000000, -0.0007901100000000, 0.0019682200000000 ] - [ 0.0000027200000000, 0.0005778800000000, 0.0005044500000000 ] - [ 0.0002780300000000, -0.0001703400000000, -0.0006045500000000 ] - [ 0.0002843300000000, 0.0000598500000000, -0.0005951400000000 ] - [ -0.0002556000000000, 0.0002035900000000, -0.0000158000000000 ] - [ -0.0025891600000000, 0.0021607800000000, 0.0013856500000000 ] - [ -0.0001578000000000, 0.0002577100000000, 0.0013151500000000 ] - [ 0.0004740300000000, -0.0020438800000000, 0.0002732900000000 ] - [ 0.0032202400000000, -0.0089100500000000, 0.0037116700000000 ] - [ -0.0000504200000000, 0.0013735900000000, -0.0001354200000000 ] - [ -0.0003590900000000, 0.0007517700000000, 0.0004177400000000 ] - [ 0.0000130700000000, -0.0011214300000000, 0.0000395100000000 ] - [ -0.0009237900000000, -0.0004535700000000, -0.0000653600000000 ] - [ -0.0008154100000000, -0.0004433100000000, -0.0002643700000000 ] - [ 0.0001123600000000, -0.0001122700000000, -0.0013547800000000 ] - [ 0.0001753800000000, -0.0004489500000000, -0.0027599200000000 ] - [ 0.0003113200000000, 0.0002640800000000, -0.0002481400000000 ] - [ -0.0002874300000000, -0.0005161000000000, 0.0005250800000000 ] - [ -0.0007977300000000, -0.0020511300000000, 0.0002255100000000 ] - [ 0.0000328600000000, 0.0013289600000000, -0.0001197500000000 ] - [ -0.0417098000000000, 0.0903092600000000, 0.2672931000000000 ] - [ -0.0001627600000000, -0.0007063300000000, 0.0003639800000000 ] - [ -0.0018251200000000, 0.0053148300000000, 0.0006204000000000 ] - [ -0.0011118900000000, -0.0023372300000000, 0.0002212500000000 ] - [ -0.0003364300000000, 0.0005987400000000, -0.0026095900000000 ] - [ 0.0000034400000000, -0.0008207800000000, -0.0009408000000000 ] - [ -0.0004443400000000, -0.0006904800000000, -0.0009495800000000 ] - [ -0.0010409200000000, 0.0013101300000000, -0.0024122800000000 ] - [ 0.0006719400000000, -0.0002857500000000, -0.0008339700000000 ] - [ 0.0012420300000000, 0.0015965900000000, -0.0028821800000000 ] - [ -0.0007346900000000, -0.0019135100000000, -0.0001921300000000 ] - [ -0.0003297100000000, 0.0011797300000000, 0.0016450200000000 ] - [ 0.0046196500000000, 0.0040489900000000, -0.0040718900000000 ] - [ -0.0000376600000000, -0.0008715100000000, 0.0001440700000000 ] - [ 0.0003759300000000, -0.0006518500000000, -0.0020425300000000 ] - [ 0.0000583800000000, -0.0011224100000000, -0.0005296500000000 ] - [ -0.0013476500000000, 0.0002673400000000, 0.0024678900000000 ] - [ 0.0001606100000000, -0.0007232400000000, 0.0003429300000000 ] - [ -0.0001542800000000, -0.0000258300000000, 0.0005443200000000 ] - [ -0.0046003200000000, -0.0020483600000000, -0.0022958800000000 ] - [ 0.0007540300000000, 0.0014183300000000, 0.0012450400000000 ] - [ 0.0014800400000000, -0.0023384400000000, 0.0000549000000000 ] - [ -0.0013960700000000, 0.0017179100000000, -0.0015631500000000 ] - [ -0.0000241400000000, -0.0006507200000000, -0.0002472500000000 ] - [ 0.0000352000000000, 0.0005695900000000, -0.0005587400000000 ] - [ 0.0013200900000000, -0.0010098800000000, -0.0027144100000000 ] - [ 0.0048679900000000, 0.0016876900000000, 0.0020120600000000 ] - [ -0.0006989700000000, -0.0005701800000000, 0.0001263600000000 ] - [ -0.0000496200000000, 0.0006417700000000, -0.0008959800000000 ] - [ -0.0007112100000000, -0.0005446200000000, -0.0024398900000000 ] - [ 0.0102930200000000, -0.0131595500000000, -0.0150283100000000 ] - [ 0.0007949500000000, -0.0006017800000000, 0.0000915100000000 ] - [ 0.0000329300000000, -0.0006059300000000, -0.0039719500000000 ] - [ 0.0001004000000000, 0.0010523800000000, -0.0003116300000000 ] - [ 0.0000484700000000, -0.0000237800000000, 0.0008119300000000 ] - [ 0.0049047500000000, -0.0035782800000000, -0.0063246100000000 ] - [ 0.0006116800000000, 0.0008207400000000, 0.0016223200000000 ] - [ 0.0028284700000000, -0.0053401900000000, 0.0022209300000000 ] - [ -0.0003618500000000, 0.0003523800000000, -0.0013061600000000 ] - [ -0.0000947200000000, 0.0010542900000000, -0.0003060200000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0073920200000000, -0.0040667300000000, -0.0066683100000000 ] - [ 0.0000127700000000, -0.0006357100000000, 0.0005629500000000 ] - [ -0.0007826800000000, 0.0015635400000000, -0.0003437500000000 ] - [ -0.0000776200000000, -0.0016380400000000, -0.0006914900000000 ] - [ -0.0000552600000000, 0.0011861900000000, -0.0022205900000000 ] - [ -0.0000146600000000, -0.0006204900000000, -0.0005684100000000 ] - [ 0.0030037200000000, -0.0031626800000000, 0.0038659200000000 ] - [ 0.0000140800000000, 0.0003735300000000, 0.0021123600000000 ] - [ 0.0001732100000000, 0.0002853200000000, -0.0003383800000000 ] - [ 0.0264939100000000, -0.0141028800000000, -0.0049301300000000 ] - [ 0.0001526000000000, 0.0007354700000000, -0.0064194000000000 ] - [ 0.0002570500000000, -0.0014601700000000, -0.0013688500000000 ] - [ 0.0007631900000000, 0.0009385300000000, 0.0001507800000000 ] - [ 0.0026148900000000, -0.0008357800000000, -0.0009591500000000 ] - [ -0.0086513600000000, -0.0033456900000000, -0.0028853800000000 ] - [ -0.0004111900000000, -0.0001965300000000, -0.0002525800000000 ] - [ 0.0094464700000000, 0.0001361400000000, -0.0169495300000000 ] - [ -0.0004924800000000, -0.0005417400000000, 0.0001604400000000 ] - [ 0.0013664900000000, -0.0002191300000000, -0.0015386800000000 ] - [ 0.0006759300000000, -0.0005767900000000, -0.0004144700000000 ] - [ -0.0411476900000000, 0.0790258900000000, 0.2522589400000000 ] - [ 0.0001947800000000, 0.0001823600000000, 0.0008183600000000 ] - [ -0.0001884900000000, 0.0018282300000000, 0.0052822500000000 ] - [ -0.0001836900000000, 0.0001515800000000, 0.0008124700000000 ] - [ 0.0003633100000000, -0.0001224000000000, -0.0002808900000000 ] - [ 0.0004738100000000, 0.0004381500000000, -0.0018378100000000 ] - [ 0.0000689000000000, -0.0008615300000000, -0.0002393000000000 ] - [ 0.0003008900000000, 0.0002835500000000, 0.0000218900000000 ] - [ 0.0000519900000000, 0.0003851100000000, -0.0016353200000000 ] - [ 0.0000019600000000, 0.0005413200000000, -0.0002508200000000 ] - [ 0.0001551700000000, 0.0001826000000000, -0.0001515100000000 ] - [ -0.0014658600000000, -0.0014497100000000, -0.0016288700000000 ] - [ -0.0003798000000000, -0.0001568400000000, -0.0004484700000000 ] - [ -0.0004911200000000, 0.0004006800000000, -0.0017221200000000 ] - [ -0.0003893400000000, 0.0000295400000000, -0.0005795500000000 ] - [ -0.0013551100000000, 0.0004882300000000, -0.0007438500000000 ] - [ 0.0005374500000000, 0.0018440800000000, 0.0005203200000000 ] - [ -0.0020923900000000, -0.0010578100000000, -0.0006739400000000 ] - [ 0.0012295500000000, -0.0001765200000000, 0.0001075700000000 ] - [ 0.0004734800000000, -0.0005653600000000, 0.0001287500000000 ] - [ -0.0004382700000000, 0.0016330300000000, -0.0008426900000000 ] - [ -0.0000027900000000, 0.0002326400000000, 0.0006533900000000 ] - [ 0.0003561400000000, -0.0000817500000000, -0.0001800800000000 ] - [ 0.0003492700000000, -0.0003196000000000, -0.0001922700000000 ] - [ -0.0001058300000000, 0.0001047800000000, -0.0001074100000000 ] - [ 0.0022805500000000, -0.0018961300000000, -0.0015405600000000 ] - [ 0.0001619000000000, -0.0010901700000000, -0.0001770400000000 ] - [ -0.0004767700000000, 0.0012547600000000, 0.0008945500000000 ] - [ -0.0030155300000000, 0.0099967300000000, -0.0037462300000000 ] - [ 0.0003385700000000, -0.0005452600000000, 0.0001774000000000 ] - [ 0.0000830400000000, -0.0016349800000000, -0.0003837900000000 ] - [ -0.0002994000000000, 0.0002807100000000, -0.0000012500000000 ] - [ -0.0005571500000000, -0.0005613900000000, -0.0006144100000000 ] - [ -0.0006635900000000, -0.0005769600000000, -0.0004102300000000 ] - [ -0.0001172700000000, -0.0012529700000000, 0.0023225000000000 ] - [ -0.0001769800000000, -0.0009075200000000, 0.0037525400000000 ] - [ 0.0003203100000000, -0.0000130200000000, -0.0005465300000000 ] - [ 0.0009275200000000, 0.0007865000000000, -0.0013324800000000 ] - [ 0.0005295900000000, 0.0029604500000000, -0.0001908200000000 ] - [ -0.0003204500000000, -0.0004989700000000, 0.0001613000000000 ] - [ 0.0377839700000000, -0.0814210500000000, -0.2479184600000000 ] - [ 0.0000691000000000, 0.0000209000000000, -0.0006159200000000 ] - [ 0.0012739200000000, -0.0068373500000000, -0.0007387100000000 ] - [ 0.0005448500000000, 0.0009814000000000, -0.0003142400000000 ] - [ 0.0003434800000000, -0.0012205600000000, 0.0018126300000000 ] - [ -0.0000033300000000, 0.0002343900000000, 0.0001111800000000 ] - [ -0.0009662400000000, 0.0007310400000000, 0.0004087400000000 ] - [ -0.0003519200000000, -0.0013156300000000, 0.0018974400000000 ] - [ 0.0007306200000000, 0.0003123200000000, 0.0002926900000000 ] - [ 0.0001478100000000, -0.0016067000000000, 0.0023779600000000 ] - [ 0.0007498800000000, 0.0025618100000000, -0.0006496500000000 ] - [ 0.0003319300000000, -0.0005878700000000, -0.0025292100000000 ] - [ -0.0047065400000000, -0.0043282800000000, 0.0054787600000000 ] - [ 0.0000380900000000, 0.0007102600000000, 0.0012118800000000 ] - [ -0.0003880600000000, -0.0003881500000000, 0.0024210300000000 ] - [ -0.0000602200000000, 0.0001079700000000, 0.0008817400000000 ] - [ 0.0014515200000000, -0.0009865900000000, -0.0027553800000000 ] - [ -0.0000673700000000, 0.0000386900000000, -0.0005932700000000 ] - [ 0.0001565800000000, 0.0000341500000000, -0.0001444700000000 ] - [ 0.0047031700000000, 0.0020949700000000, 0.0027554900000000 ] - [ -0.0001805300000000, -0.0028592600000000, -0.0013590800000000 ] - [ -0.0009217100000000, 0.0009827300000000, -0.0001419900000000 ] - [ 0.0014243100000000, -0.0017655100000000, 0.0019985200000000 ] - [ 0.0000249000000000, 0.0006619100000000, 0.0006649500000000 ] - [ -0.0001337800000000, 0.0001220600000000, 0.0003243900000000 ] - [ -0.0014463400000000, 0.0017365600000000, 0.0025270000000000 ] - [ -0.0063886600000000, -0.0017507700000000, -0.0026161400000000 ] - [ -0.0007014700000000, 0.0005676600000000, -0.0006894800000000 ] - [ 0.0001486400000000, 0.0000488200000000, 0.0006681700000000 ] - [ 0.0008243200000000, 0.0012619600000000, 0.0022466600000000 ] - [ -0.0092132400000000, 0.0136557900000000, 0.0151012900000000 ] - [ 0.0006034200000000, 0.0005998100000000, -0.0006518800000000 ] - [ 0.0005569400000000, 0.0020427800000000, 0.0039882500000000 ] - [ 0.0004899700000000, 0.0003389300000000, 0.0002286000000000 ] - [ -0.0000490600000000, 0.0002110600000000, 0.0005266100000000 ] - [ -0.0050182100000000, 0.0038373800000000, 0.0078139200000000 ] - [ -0.0006209300000000, 0.0002155500000000, -0.0013201400000000 ] - [ -0.0028925500000000, 0.0064954100000000, -0.0019248600000000 ] - [ -0.0002189200000000, 0.0010458700000000, 0.0012453800000000 ] - [ -0.0004960600000000, 0.0003371600000000, 0.0002222400000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020281500000000, 0.0035322800000000, 0.0016832200000000 ] - [ -0.0000493400000000, -0.0002981300000000, 0.0002389700000000 ] - [ 0.0001213000000000, 0.0000570500000000, 0.0005488100000000 ] - [ -0.0000068800000000, 0.0007978900000000, 0.0004068500000000 ] - [ 0.0010594000000000, 0.0010333600000000, -0.0018117700000000 ] - [ -0.0000807700000000, 0.0002704100000000, 0.0004248500000000 ] - [ 0.0000072800000000, -0.0005655500000000, -0.0002091700000000 ] - [ -0.0000030800000000, 0.0003352900000000, 0.0002360500000000 ] - [ 0.0000034300000000, 0.0000895700000000, -0.0002387700000000 ] - [ 0.0000654100000000, 0.0009385000000000, -0.0008807900000000 ] - [ -0.0005063400000000, 0.0015552000000000, -0.0001904300000000 ] - [ 0.0094724100000000, 0.0064483300000000, -0.0022494700000000 ] - [ 0.0006801800000000, 0.0005030600000000, -0.0002967500000000 ] - [ 0.0006482100000000, 0.0006043300000000, -0.0003207500000000 ] - [ -0.0002812100000000, -0.0000964900000000, -0.0004010500000000 ] - [ -0.0002757600000000, -0.0001302100000000, -0.0003798400000000 ] - [ -0.0002568100000000, -0.0002242300000000, 0.0000019200000000 ] - [ 0.0004463800000000, 0.0002594600000000, -0.0004179100000000 ] - [ 0.0010028500000000, -0.0009568700000000, -0.0003103700000000 ] - [ 0.0014302600000000, -0.0000145200000000, -0.0006122600000000 ] - [ 0.0002760800000000, 0.0002766600000000, 0.0004359500000000 ] - [ 0.0002949800000000, 0.0001870300000000, 0.0002056100000000 ] - [ -0.0002127500000000, 0.0003176500000000, 0.0005872600000000 ] - [ -0.0002984800000000, 0.0001868700000000, 0.0002070800000000 ] - [ -0.0012102300000000, -0.0012600200000000, 0.0034787900000000 ] - [ 0.0002990600000000, -0.0001100800000000, 0.0001676400000000 ] - [ -0.0692318400000000, -0.0578795100000000, -0.0122477600000000 ] - [ 0.0002989700000000, 0.0001240500000000, 0.0001120900000000 ] - [ 0.0000395600000000, 0.0004233900000000, 0.0000266700000000 ] - [ 0.0000448600000000, 0.0008510300000000, 0.0010384100000000 ] - [ 0.0002242600000000, 0.0001034900000000, -0.0000959700000000 ] - [ 0.0002989300000000, 0.0002938500000000, 0.0000164500000000 ] - [ 0.0001471200000000, -0.0005357400000000, 0.0010316700000000 ] - [ -0.0002967300000000, -0.0001144100000000, 0.0001868900000000 ] - [ -0.0035863100000000, -0.0011248700000000, -0.0020128900000000 ] - [ -0.0001375800000000, 0.0003225600000000, -0.0003720000000000 ] - [ -0.0006856600000000, 0.0005040000000000, -0.0003134200000000 ] - [ -0.0006459800000000, 0.0006042400000000, -0.0003198000000000 ] - [ 0.0000286500000000, 0.0000092100000000, 0.0001834400000000 ] - [ -0.0003216100000000, 0.0002007800000000, -0.0004457500000000 ] - [ 0.0000007500000000, 0.0005038000000000, 0.0005063200000000 ] - [ 0.0000248700000000, 0.0003156400000000, 0.0006980700000000 ] - [ 0.0002616100000000, -0.0000899800000000, -0.0003928100000000 ] - [ 0.0002814300000000, -0.0001270500000000, -0.0003697500000000 ] - [ -0.0004320000000000, 0.0002062100000000, -0.0000411400000000 ] - [ -0.0002915800000000, 0.0002844100000000, 0.0000159100000000 ] - [ 0.0005314300000000, -0.0018024500000000, 0.0009756500000000 ] - [ 0.0000113900000000, -0.0002772700000000, 0.0006329300000000 ] - [ 0.0001796600000000, 0.0003255100000000, -0.0000050600000000 ] - [ 0.0001402200000000, 0.0004674000000000, 0.0000311700000000 ] - [ 0.0014881600000000, -0.0014821200000000, -0.0001332700000000 ] - [ -0.0002774700000000, 0.0000757900000000, 0.0000953300000000 ] - [ -0.0127826300000000, -0.0265241100000000, -0.0039355200000000 ] - [ -0.0011857600000000, 0.0000824900000000, -0.0005217400000000 ] - [ -0.0002697700000000, -0.0007377200000000, 0.0014105900000000 ] - [ 0.0000026000000000, -0.0006324300000000, 0.0003794100000000 ] - [ 0.0012884200000000, -0.0001659800000000, -0.0006755900000000 ] - [ 0.0002576600000000, 0.0002157600000000, -0.0003467500000000 ] - [ -0.0001838000000000, 0.0003047700000000, 0.0000139900000000 ] - [ -0.0001405200000000, 0.0004680800000000, 0.0000322600000000 ] - [ -0.0002168300000000, -0.0003160700000000, -0.0002909400000000 ] - [ -0.0004086300000000, -0.0006724600000000, 0.0002256200000000 ] - [ -0.0004428200000000, -0.0005492500000000, 0.0001097100000000 ] - [ -0.0003502500000000, -0.0008183800000000, -0.0000786800000000 ] - [ -0.0000559900000000, -0.0000744000000000, -0.0000833500000000 ] - [ -0.0000311900000000, -0.0004534200000000, -0.0008501100000000 ] - [ -0.0029357000000000, 0.0001780100000000, -0.0006069000000000 ] - [ -0.0004172000000000, -0.0007178000000000, -0.0002464400000000 ] - [ 0.0053939000000000, -0.0107384200000000, -0.0025929500000000 ] - [ 0.0005481500000000, -0.0006433800000000, -0.0002358600000000 ] - [ -0.0003767800000000, 0.0010022000000000, -0.0022816600000000 ] - [ -0.0000057000000000, 0.0000951500000000, -0.0003583000000000 ] - [ 0.0001798700000000, -0.0004574700000000, 0.0004472200000000 ] - [ -0.0008475800000000, -0.0009499300000000, 0.0021444900000000 ] - [ 0.0044063500000000, -0.0020390500000000, 0.0018880700000000 ] - [ -0.0013203900000000, -0.0022308500000000, -0.0000768000000000 ] - [ 0.0001938400000000, -0.0005328400000000, -0.0008700900000000 ] - [ 0.0003167100000000, -0.0005923300000000, 0.0001982600000000 ] - [ -0.0000187400000000, 0.0000899000000000, 0.0001301500000000 ] - [ 0.0000126200000000, -0.0001231800000000, 0.0002243700000000 ] - [ 0.0004285000000000, -0.0005224900000000, 0.0000230100000000 ] - [ 0.0003505000000000, -0.0008176100000000, -0.0000760500000000 ] - [ 0.0000257600000000, 0.0002284100000000, 0.0002992300000000 ] - [ 0.0013508500000000, 0.0006191500000000, 0.0015086700000000 ] - [ 0.0009187100000000, 0.0012964600000000, -0.0013806400000000 ] - [ -0.0000489000000000, 0.0000652100000000, -0.0000766500000000 ] - [ -0.0007094700000000, -0.0000928600000000, -0.0004213200000000 ] - [ -0.0006238500000000, 0.0000973100000000, -0.0002324900000000 ] - [ -0.0003916300000000, 0.0007548300000000, -0.0004466700000000 ] - [ 0.0000568900000000, 0.0000473900000000, -0.0000897200000000 ] - [ 0.0006646900000000, -0.0000434600000000, -0.0002767800000000 ] - [ 0.0006281400000000, 0.0000935000000000, -0.0002398100000000 ] - [ -0.0008179900000000, 0.0005606000000000, 0.0000499300000000 ] - [ -0.0001029400000000, 0.0000631300000000, 0.0000990700000000 ] - [ 0.0001012700000000, 0.0001673600000000, 0.0004398000000000 ] - [ -0.0000024700000000, -0.0002752100000000, 0.0008536700000000 ] - [ 0.0000169700000000, 0.0008732900000000, -0.0004636200000000 ] - [ -0.0000098700000000, 0.0002752000000000, 0.0002996700000000 ] - [ 0.0648770600000000, 0.0881743600000000, 0.0178620900000000 ] - [ -0.0000708900000000, 0.0000497500000000, 0.0000111000000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019806800000000, -0.0045052300000000, -0.0010336200000000 ] - [ 0.0000502800000000, -0.0005959100000000, 0.0004363500000000 ] - [ -0.0001235800000000, 0.0008479900000000, 0.0001327800000000 ] - [ 0.0000071300000000, 0.0001081000000000, 0.0002730200000000 ] - [ -0.0010367900000000, -0.0011063700000000, 0.0023277100000000 ] - [ 0.0000804400000000, -0.0003261200000000, 0.0000908500000000 ] - [ -0.0000156700000000, 0.0006210200000000, 0.0007279700000000 ] - [ 0.0000026500000000, -0.0002742400000000, 0.0002780900000000 ] - [ -0.0000029400000000, 0.0012184600000000, -0.0008766100000000 ] - [ -0.0000622500000000, 0.0003716100000000, -0.0002322900000000 ] - [ 0.0004884900000000, -0.0028897700000000, -0.0009462900000000 ] - [ -0.0094629200000000, -0.0076505100000000, 0.0011304500000000 ] - [ 0.0008034600000000, 0.0005127700000000, -0.0003771400000000 ] - [ 0.0008342000000000, 0.0004126900000000, -0.0003526600000000 ] - [ -0.0003504600000000, -0.0001578800000000, -0.0003902200000000 ] - [ -0.0003565400000000, -0.0001244100000000, -0.0004114100000000 ] - [ -0.0001063200000000, -0.0000867000000000, -0.0001251400000000 ] - [ -0.0008091700000000, -0.0005683100000000, 0.0002939600000000 ] - [ 0.0004758300000000, -0.0000749100000000, -0.0003553200000000 ] - [ 0.0000495500000000, -0.0010013200000000, -0.0000597900000000 ] - [ 0.0002642600000000, 0.0002445200000000, 0.0002912900000000 ] - [ 0.0002449300000000, 0.0003338300000000, 0.0005204300000000 ] - [ -0.0003241300000000, 0.0002048500000000, 0.0001467900000000 ] - [ -0.0002413800000000, 0.0003342700000000, 0.0005200100000000 ] - [ 0.0017402300000000, 0.0007172300000000, -0.0027551700000000 ] - [ 0.0002409400000000, -0.0004101100000000, 0.0005571400000000 ] - [ 0.0679455700000000, 0.0568711800000000, 0.0124374800000000 ] - [ -0.0000156700000000, -0.0009744000000000, -0.0000739900000000 ] - [ -0.0000426900000000, 0.0009281600000000, 0.0009131200000000 ] - [ -0.0000448100000000, 0.0004983900000000, -0.0001073100000000 ] - [ 0.0001404800000000, 0.0002075400000000, -0.0000245100000000 ] - [ 0.0000636700000000, 0.0000156600000000, -0.0001392400000000 ] - [ -0.0006870800000000, 0.0000142600000000, -0.0002946800000000 ] - [ -0.0002430400000000, -0.0004073100000000, 0.0005411200000000 ] - [ 0.0029466000000000, 0.0013794200000000, 0.0012005400000000 ] - [ -0.0004994600000000, -0.0000513200000000, -0.0004219800000000 ] - [ -0.0007984200000000, 0.0005117900000000, -0.0003605000000000 ] - [ -0.0008364900000000, 0.0004128700000000, -0.0003536600000000 ] - [ 0.0003255300000000, -0.0003128600000000, -0.0003036500000000 ] - [ 0.0006826400000000, -0.0005091800000000, 0.0003216800000000 ] - [ -0.0000005100000000, 0.0003117900000000, 0.0006491100000000 ] - [ -0.0000251200000000, 0.0004993300000000, 0.0004576500000000 ] - [ 0.0003691500000000, -0.0001643700000000, -0.0003978700000000 ] - [ 0.0003507100000000, -0.0001279700000000, -0.0004216400000000 ] - [ 0.0000740300000000, 0.0001019800000000, -0.0000807600000000 ] - [ -0.0000717100000000, 0.0000257800000000, -0.0001384300000000 ] - [ -0.0005275000000000, 0.0009870000000000, 0.0001646500000000 ] - [ -0.0000116000000000, -0.0005318700000000, 0.0005273100000000 ] - [ 0.0001035700000000, 0.0005271500000000, 0.0000430900000000 ] - [ 0.0001425900000000, 0.0003859500000000, 0.0000068400000000 ] - [ -0.0017797900000000, 0.0006323800000000, 0.0001706500000000 ] - [ -0.0000048000000000, -0.0009293600000000, -0.0000579200000000 ] - [ 0.0113579800000000, 0.0255344100000000, 0.0034701400000000 ] - [ -0.0002962100000000, -0.0010983200000000, -0.0001521000000000 ] - [ 0.0002697200000000, -0.0006114600000000, -0.0004840600000000 ] - [ -0.0000025100000000, -0.0007169600000000, 0.0005540900000000 ] - [ -0.0006601900000000, 0.0004273500000000, -0.0001155100000000 ] - [ 0.0003852900000000, 0.0000390100000000, -0.0004511700000000 ] - [ -0.0000997400000000, 0.0005467600000000, 0.0000249200000000 ] - [ -0.0001423700000000, 0.0003853200000000, 0.0000056400000000 ] - [ 0.0001206000000000, -0.0003764200000000, 0.0000517800000000 ] - [ 0.0003151600000000, -0.0000254000000000, -0.0004638100000000 ] - [ -0.0001421700000000, -0.0008449100000000, -0.0001990400000000 ] - [ -0.0002353700000000, -0.0005771400000000, -0.0000099100000000 ] - [ 0.0000569800000000, -0.0005276900000000, -0.0007613300000000 ] - [ 0.0000315700000000, -0.0001457600000000, 0.0000101200000000 ] - [ 0.0015330300000000, -0.0001745000000000, 0.0000472600000000 ] - [ -0.0009949600000000, 0.0007453700000000, -0.0003047700000000 ] - [ -0.0038158200000000, 0.0105867500000000, 0.0020091500000000 ] - [ 0.0008655000000000, 0.0006642500000000, -0.0003164200000000 ] - [ 0.0003634300000000, -0.0003937300000000, 0.0014548100000000 ] - [ 0.0000059100000000, 0.0005005900000000, -0.0004855400000000 ] - [ -0.0001746300000000, 0.0002757300000000, 0.0009049400000000 ] - [ 0.0008541100000000, 0.0007639300000000, -0.0007959000000000 ] - [ -0.0044450400000000, 0.0010607700000000, -0.0015786800000000 ] - [ 0.0013372300000000, 0.0012175900000000, 0.0004129000000000 ] - [ -0.0000961100000000, -0.0001669400000000, 0.0006089000000000 ] - [ -0.0002220000000000, -0.0001057800000000, -0.0004364400000000 ] - [ 0.0000192000000000, -0.0000866200000000, 0.0002754300000000 ] - [ -0.0000122000000000, 0.0001263600000000, 0.0001814400000000 ] - [ 0.0001564700000000, -0.0008714000000000, -0.0001107300000000 ] - [ 0.0002353900000000, -0.0005775500000000, -0.0000113700000000 ] - [ -0.0000495900000000, -0.0002644700000000, 0.0001038200000000 ] - [ -0.0013439100000000, -0.0006345300000000, -0.0010896000000000 ] - [ -0.0010149200000000, -0.0005929900000000, 0.0011412700000000 ] - [ -0.0000457300000000, 0.0006283600000000, -0.0001629100000000 ] - [ -0.0006959100000000, 0.0000688100000000, -0.0001405100000000 ] - [ -0.0007810700000000, -0.0001192200000000, -0.0003232000000000 ] - [ 0.0004833400000000, -0.0000570700000000, 0.0001986400000000 ] - [ 0.0000386500000000, 0.0006480200000000, -0.0001518000000000 ] - [ 0.0007389700000000, 0.0000219500000000, -0.0002782500000000 ] - [ 0.0007761300000000, -0.0001142500000000, -0.0003138200000000 ] - [ 0.0014250200000000, 0.0008617000000000, -0.0001447400000000 ] - [ 0.0006904700000000, 0.0013306500000000, -0.0001870600000000 ] - [ -0.0001035800000000, 0.0000141900000000, 0.0009051400000000 ] - [ 0.0000015200000000, 0.0004565600000000, 0.0004900000000000 ] - [ -0.0000168300000000, 0.0001600000000000, 0.0008023100000000 ] - [ 0.0000096700000000, 0.0007575300000000, 0.0000348700000000 ] - [ -0.0641304600000000, -0.0865378200000000, -0.0181872500000000 ] - [ -0.0005154200000000, 0.0013414900000000, -0.0000999500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0072096800000000, 0.0005122800000000, 0.0074490700000000 ] - [ -0.0000469500000000, 0.0020573400000000, -0.0007608800000000 ] - [ 0.0004949800000000, -0.0014769800000000, 0.0007525100000000 ] - [ -0.0000223800000000, 0.0019031400000000, 0.0005970500000000 ] - [ 0.0030483200000000, -0.0007065100000000, -0.0051109600000000 ] - [ -0.0001623500000000, 0.0012884600000000, 0.0010283400000000 ] - [ -0.0005372700000000, -0.0021045300000000, 0.0005077600000000 ] - [ -0.0000141200000000, 0.0014239300000000, 0.0002252400000000 ] - [ -0.0000153900000000, -0.0007121000000000, 0.0002238600000000 ] - [ 0.0002482000000000, 0.0020876200000000, -0.0012976900000000 ] - [ -0.0008961400000000, 0.0057664200000000, 0.0011301000000000 ] - [ 0.0250077500000000, 0.0097674800000000, -0.0117356300000000 ] - [ 0.0010716300000000, 0.0000747300000000, -0.0003889200000000 ] - [ 0.0003265900000000, 0.0009355600000000, -0.0002454200000000 ] - [ -0.0001808300000000, 0.0000315100000000, -0.0004110900000000 ] - [ -0.0003186200000000, -0.0002515300000000, -0.0003609600000000 ] - [ -0.0004824100000000, -0.0002730700000000, 0.0002919800000000 ] - [ 0.0015646200000000, 0.0012417500000000, -0.0012389300000000 ] - [ -0.0006832500000000, -0.0009921200000000, -0.0001916700000000 ] - [ 0.0036851700000000, 0.0014677000000000, -0.0015010000000000 ] - [ 0.0002434300000000, 0.0003722800000000, 0.0007999000000000 ] - [ 0.0003420500000000, 0.0000342100000000, -0.0003477300000000 ] - [ 0.0000844300000000, 0.0004606600000000, 0.0015690400000000 ] - [ -0.0003423500000000, 0.0000463300000000, -0.0003443800000000 ] - [ -0.0010016900000000, -0.0044572100000000, 0.0099094600000000 ] - [ 0.0004156700000000, 0.0004197600000000, -0.0006056500000000 ] - [ -0.0532452400000000, -0.2842205200000000, -0.0131042400000000 ] - [ 0.0006963800000000, 0.0020686800000000, 0.0003564600000000 ] - [ -0.0002280500000000, 0.0004638800000000, -0.0011769700000000 ] - [ 0.0001089200000000, 0.0013582300000000, 0.0028688800000000 ] - [ -0.0000076800000000, -0.0002163300000000, -0.0001039300000000 ] - [ 0.0005850700000000, 0.0006644500000000, 0.0002089000000000 ] - [ 0.0003589700000000, -0.0015662000000000, 0.0028961600000000 ] - [ -0.0004126300000000, 0.0003997000000000, -0.0005589000000000 ] - [ -0.0074937700000000, 0.0045585300000000, -0.0032052000000000 ] - [ -0.0008213500000000, 0.0016820400000000, -0.0005951800000000 ] - [ -0.0011462100000000, 0.0000498800000000, -0.0004700300000000 ] - [ -0.0003171400000000, 0.0009349600000000, -0.0002418700000000 ] - [ -0.0003525400000000, 0.0006177700000000, 0.0006262200000000 ] - [ -0.0010967800000000, 0.0010665500000000, -0.0013279000000000 ] - [ 0.0000349100000000, 0.0009471900000000, 0.0002477100000000 ] - [ 0.0000795100000000, -0.0000045200000000, 0.0010504100000000 ] - [ 0.0001057600000000, 0.0000552700000000, -0.0003768000000000 ] - [ 0.0003518800000000, -0.0002303300000000, -0.0003241400000000 ] - [ -0.0005468200000000, 0.0002495500000000, 0.0003304000000000 ] - [ -0.0005571400000000, 0.0006373200000000, 0.0002029900000000 ] - [ -0.0005354000000000, -0.0025203200000000, -0.0014143900000000 ] - [ 0.0000000100000000, 0.0009561500000000, 0.0015849000000000 ] - [ 0.0002432200000000, 0.0002112800000000, -0.0001500000000000 ] - [ 0.0001005200000000, 0.0007152700000000, 0.0000380800000000 ] - [ 0.0009313500000000, -0.0051826000000000, -0.0006659700000000 ] - [ -0.0006491500000000, 0.0020641200000000, 0.0003323300000000 ] - [ -0.0035578300000000, 0.0220164600000000, -0.0020390400000000 ] - [ -0.0027540900000000, 0.0016174700000000, -0.0010707300000000 ] - [ -0.0001311400000000, -0.0005337200000000, 0.0008291500000000 ] - [ 0.0000108100000000, -0.0005657600000000, 0.0003132900000000 ] - [ 0.0003294200000000, 0.0000935900000000, -0.0005070700000000 ] - [ 0.0012101200000000, 0.0005577100000000, -0.0007944500000000 ] - [ -0.0002637000000000, 0.0000735500000000, -0.0000397000000000 ] - [ -0.0000990100000000, 0.0007224800000000, 0.0000416000000000 ] - [ -0.0004987700000000, 0.0000065800000000, -0.0010095800000000 ] - [ -0.0008185700000000, -0.0017596200000000, 0.0013681100000000 ] - [ -0.0002155100000000, -0.0000762400000000, 0.0001323600000000 ] - [ -0.0005120700000000, -0.0013022900000000, -0.0001821600000000 ] - [ -0.0001284100000000, 0.0001043700000000, 0.0008712700000000 ] - [ -0.0000852400000000, -0.0008695800000000, -0.0021607400000000 ] - [ -0.0067208200000000, 0.0031024600000000, -0.0008628400000000 ] - [ 0.0001588700000000, -0.0032241400000000, 0.0000928600000000 ] - [ -0.0170391900000000, -0.0153983400000000, -0.0015082200000000 ] - [ 0.0002268100000000, -0.0030067600000000, 0.0000570800000000 ] - [ -0.0005158300000000, 0.0032026300000000, -0.0011227700000000 ] - [ -0.0000161200000000, -0.0012402000000000, -0.0006814900000000 ] - [ 0.0005410500000000, -0.0015921900000000, -0.0003229500000000 ] - [ -0.0028651700000000, -0.0021479400000000, 0.0062478200000000 ] - [ 0.0048761500000000, -0.0064812500000000, 0.0013135300000000 ] - [ -0.0049055300000000, -0.0088266500000000, -0.0000731500000000 ] - [ 0.0005298600000000, -0.0008117000000000, -0.0033752000000000 ] - [ 0.0004856900000000, -0.0015204800000000, 0.0012509200000000 ] - [ -0.0001026200000000, 0.0005478200000000, -0.0001529400000000 ] - [ 0.0000464200000000, -0.0006423400000000, 0.0003293900000000 ] - [ 0.0002149900000000, 0.0000726600000000, -0.0000922900000000 ] - [ 0.0005081100000000, -0.0013044500000000, -0.0001721800000000 ] - [ -0.0014509800000000, -0.0033346200000000, -0.0004140300000000 ] - [ 0.0037142000000000, -0.0017091300000000, 0.0031616300000000 ] - [ 0.0013881300000000, 0.0041419400000000, -0.0047045800000000 ] - [ -0.0001556100000000, -0.0008595700000000, 0.0001760000000000 ] - [ -0.0008382700000000, -0.0004834600000000, -0.0009910100000000 ] - [ -0.0005869700000000, 0.0002528300000000, -0.0000086800000000 ] - [ -0.0009500800000000, 0.0024317700000000, -0.0014788600000000 ] - [ 0.0001675700000000, -0.0008963800000000, 0.0001366800000000 ] - [ 0.0006628600000000, -0.0003141600000000, -0.0003910000000000 ] - [ 0.0006015800000000, 0.0002448700000000, -0.0000344000000000 ] - [ -0.0016724000000000, 0.0039463400000000, 0.0001865400000000 ] - [ -0.0013072900000000, -0.0024727400000000, 0.0004989500000000 ] - [ 0.0003009300000000, 0.0004331500000000, 0.0001536400000000 ] - [ -0.0000050900000000, -0.0011253500000000, 0.0008885000000000 ] - [ 0.0000449600000000, 0.0016003000000000, -0.0002569600000000 ] - [ -0.0000355100000000, -0.0004981900000000, 0.0004517300000000 ] - [ 0.0564277000000000, 0.2754439700000000, 0.0188243000000000 ] - [ 0.0005602400000000, -0.0022928300000000, 0.0001503500000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0070360700000000, -0.0013760300000000, -0.0065861700000000 ] - [ 0.0000476300000000, -0.0029131900000000, 0.0014177700000000 ] - [ -0.0004838900000000, 0.0023446400000000, -0.0000619800000000 ] - [ 0.0000225500000000, -0.0009666400000000, 0.0000888400000000 ] - [ -0.0029924800000000, 0.0006412900000000, 0.0055169900000000 ] - [ 0.0001592200000000, -0.0013214700000000, -0.0004974700000000 ] - [ 0.0005243900000000, 0.0021249000000000, 0.0000173300000000 ] - [ 0.0000136500000000, -0.0013356600000000, 0.0002885400000000 ] - [ 0.0000157100000000, 0.0019844800000000, -0.0013205900000000 ] - [ -0.0002431300000000, -0.0007510800000000, 0.0001688600000000 ] - [ 0.0008666100000000, -0.0069541300000000, -0.0022251900000000 ] - [ -0.0244093700000000, -0.0108629900000000, 0.0103145600000000 ] - [ 0.0004168800000000, 0.0009342500000000, -0.0002850200000000 ] - [ 0.0011477600000000, 0.0000903700000000, -0.0004261300000000 ] - [ -0.0004498100000000, -0.0002833500000000, -0.0003811100000000 ] - [ -0.0003148500000000, -0.0000064200000000, -0.0004300300000000 ] - [ 0.0001154800000000, -0.0000382600000000, -0.0004085700000000 ] - [ -0.0018899300000000, -0.0015221800000000, 0.0010913900000000 ] - [ 0.0021494500000000, -0.0000311100000000, -0.0004805000000000 ] - [ -0.0021347000000000, -0.0024398600000000, 0.0008007300000000 ] - [ 0.0002956200000000, 0.0001517100000000, -0.0000625700000000 ] - [ 0.0001994800000000, 0.0004816600000000, 0.0010599600000000 ] - [ -0.0006166300000000, 0.0000664300000000, -0.0008169900000000 ] - [ -0.0001992100000000, 0.0004700200000000, 0.0010575100000000 ] - [ 0.0015047900000000, 0.0038256600000000, -0.0089974400000000 ] - [ 0.0001269600000000, -0.0009264300000000, 0.0013125000000000 ] - [ 0.0617869300000000, 0.3077344300000000, 0.0158254300000000 ] - [ -0.0004012600000000, -0.0028675500000000, -0.0003113400000000 ] - [ 0.0002255100000000, 0.0008799300000000, 0.0020791100000000 ] - [ -0.0001065000000000, 0.0000061800000000, -0.0018829800000000 ] - [ 0.0003683000000000, 0.0005187800000000, -0.0000190900000000 ] - [ -0.0002131300000000, -0.0003436200000000, -0.0003251800000000 ] - [ -0.0008843300000000, 0.0010172300000000, -0.0021165200000000 ] - [ -0.0001300000000000, -0.0009073200000000, 0.0012682500000000 ] - [ 0.0066875300000000, -0.0042010000000000, 0.0023476600000000 ] - [ 0.0001733100000000, -0.0013863600000000, -0.0002029200000000 ] - [ -0.0003437400000000, 0.0009587800000000, -0.0002054200000000 ] - [ -0.0011563800000000, 0.0000915700000000, -0.0004294200000000 ] - [ 0.0007021200000000, -0.0009126800000000, -0.0007348600000000 ] - [ 0.0014314700000000, -0.0013507800000000, 0.0011784600000000 ] - [ -0.0000344800000000, -0.0001218000000000, 0.0009021200000000 ] - [ -0.0000778600000000, 0.0008104600000000, 0.0001159700000000 ] - [ 0.0005235800000000, -0.0003070300000000, -0.0004146200000000 ] - [ 0.0002820500000000, -0.0000274800000000, -0.0004658800000000 ] - [ 0.0001745900000000, 0.0000609800000000, -0.0004451100000000 ] - [ 0.0001855700000000, -0.0003168600000000, -0.0003194700000000 ] - [ 0.0005349000000000, 0.0016459800000000, 0.0025361000000000 ] - [ -0.0000002700000000, -0.0017394000000000, -0.0004059100000000 ] - [ 0.0000419900000000, 0.0006374400000000, 0.0001849900000000 ] - [ 0.0001820100000000, 0.0001421700000000, 0.0000009800000000 ] - [ -0.0011848200000000, 0.0042331100000000, 0.0006888800000000 ] - [ 0.0003553400000000, -0.0028646000000000, -0.0002881600000000 ] - [ 0.0017923500000000, -0.0235038600000000, 0.0012722800000000 ] - [ 0.0012249500000000, -0.0025875400000000, 0.0003801600000000 ] - [ 0.0001265400000000, -0.0008141800000000, 0.0001208500000000 ] - [ -0.0000106600000000, -0.0007808900000000, 0.0006146000000000 ] - [ 0.0003129500000000, 0.0001584800000000, -0.0002901500000000 ] - [ -0.0005510500000000, -0.0002918300000000, -0.0000111000000000 ] - [ -0.0000217700000000, 0.0007730100000000, 0.0000768200000000 ] - [ -0.0001833400000000, 0.0001359300000000, -0.0000026200000000 ] - [ 0.0003939700000000, -0.0006973900000000, 0.0007503400000000 ] - [ 0.0007068300000000, 0.0010352100000000, -0.0015778800000000 ] - [ -0.0003712100000000, -0.0013052900000000, -0.0002204200000000 ] - [ -0.0000810100000000, -0.0001029900000000, 0.0000888200000000 ] - [ 0.0001256400000000, -0.0006924200000000, -0.0016872300000000 ] - [ 0.0000836900000000, 0.0002605400000000, 0.0012825400000000 ] - [ 0.0051789300000000, -0.0030125000000000, 0.0002997200000000 ] - [ -0.0015530000000000, 0.0031844300000000, -0.0006374700000000 ] - [ 0.0178018600000000, 0.0147286700000000, 0.0008406300000000 ] - [ 0.0011745500000000, 0.0029672100000000, -0.0006024200000000 ] - [ 0.0004991500000000, -0.0025436400000000, 0.0002516500000000 ] - [ 0.0000160200000000, 0.0018027500000000, -0.0001640400000000 ] - [ -0.0005299400000000, 0.0013823100000000, 0.0016520800000000 ] - [ 0.0028043800000000, 0.0019267100000000, -0.0047834900000000 ] - [ -0.0047643600000000, 0.0053723800000000, -0.0009448100000000 ] - [ 0.0047933700000000, 0.0076140400000000, 0.0004127200000000 ] - [ -0.0004244200000000, 0.0001061900000000, 0.0030731000000000 ] - [ -0.0003805500000000, 0.0007997100000000, -0.0014633600000000 ] - [ 0.0001004200000000, -0.0005318500000000, 0.0005525600000000 ] - [ -0.0000457000000000, 0.0006331200000000, 0.0000815900000000 ] - [ 0.0003701600000000, -0.0014519100000000, 0.0000018000000000 ] - [ 0.0000835200000000, -0.0001012300000000, 0.0000809000000000 ] - [ 0.0014128900000000, 0.0032515200000000, 0.0008134800000000 ] - [ -0.0036326700000000, 0.0016749200000000, -0.0026855100000000 ] - [ -0.0014473900000000, -0.0033656800000000, 0.0043678000000000 ] - [ 0.0000595800000000, 0.0015308100000000, -0.0004117600000000 ] - [ -0.0005713900000000, 0.0004505800000000, 0.0004204000000000 ] - [ -0.0008158200000000, -0.0002677900000000, -0.0005417500000000 ] - [ 0.0010218700000000, -0.0016931700000000, 0.0012102400000000 ] - [ -0.0000709700000000, 0.0015680000000000, -0.0003738700000000 ] - [ 0.0007428900000000, 0.0002851900000000, -0.0001663100000000 ] - [ 0.0008016700000000, -0.0002597900000000, -0.0005149400000000 ] - [ 0.0022128300000000, -0.0024953700000000, -0.0002674500000000 ] - [ 0.0018574300000000, 0.0037993500000000, -0.0005738100000000 ] - [ -0.0002948000000000, -0.0002435500000000, 0.0011781300000000 ] - [ 0.0000046600000000, 0.0012809900000000, 0.0004589200000000 ] - [ -0.0000436900000000, -0.0005390000000000, 0.0005760400000000 ] - [ 0.0000354100000000, 0.0015131100000000, -0.0001124700000000 ] - [ -0.0647758700000000, -0.2973535400000000, -0.0213066800000000 ] - [ -0.0011274700000000, 0.0036230700000000, -0.0002349000000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020490500000000, 0.0040803600000000, 0.0010123700000000 ] - [ -0.0000035200000000, -0.0004500500000000, 0.0001056800000000 ] - [ 0.0007047200000000, -0.0000351400000000, 0.0015744600000000 ] - [ -0.0000077900000000, 0.0006583500000000, 0.0004830800000000 ] - [ -0.0009689300000000, -0.0021969900000000, 0.0005317200000000 ] - [ -0.0000217200000000, 0.0001803300000000, 0.0003187000000000 ] - [ -0.0006110500000000, 0.0001576500000000, 0.0014811800000000 ] - [ -0.0000085600000000, 0.0001620200000000, 0.0002684400000000 ] - [ 0.0000085200000000, -0.0001058800000000, 0.0006525200000000 ] - [ -0.0000497500000000, 0.0010420200000000, -0.0002081500000000 ] - [ -0.0001168700000000, 0.0002926500000000, -0.0004540800000000 ] - [ 0.0041320900000000, -0.0015230900000000, -0.0034181800000000 ] - [ 0.0006878200000000, 0.0005196500000000, -0.0001692700000000 ] - [ 0.0006874300000000, 0.0005612200000000, -0.0003092300000000 ] - [ -0.0002276500000000, -0.0000723700000000, -0.0003348800000000 ] - [ -0.0002149700000000, -0.0001616200000000, -0.0003131500000000 ] - [ -0.0000674000000000, 0.0000057200000000, -0.0001789800000000 ] - [ 0.0000919800000000, 0.0000184800000000, -0.0001732600000000 ] - [ 0.0005835200000000, -0.0006452200000000, -0.0004012800000000 ] - [ 0.0013546200000000, -0.0001349600000000, -0.0006555300000000 ] - [ 0.0002392600000000, 0.0003871800000000, 0.0006202800000000 ] - [ 0.0002996400000000, 0.0002034300000000, 0.0003627800000000 ] - [ -0.0003504600000000, 0.0002678900000000, 0.0007611500000000 ] - [ -0.0002903000000000, 0.0001902000000000, 0.0003850700000000 ] - [ 0.0011809000000000, 0.0028142700000000, 0.0041130300000000 ] - [ 0.0002848700000000, -0.0001590000000000, 0.0002038400000000 ] - [ -0.0125708600000000, -0.0162888000000000, -0.0335220000000000 ] - [ 0.0002348300000000, -0.0000910800000000, 0.0000565500000000 ] - [ 0.0000975700000000, 0.0003236400000000, 0.0001452700000000 ] - [ -0.0000066700000000, 0.0007777600000000, 0.0008861000000000 ] - [ 0.0001843000000000, 0.0002026800000000, 0.0000969200000000 ] - [ 0.0002304300000000, 0.0002020600000000, -0.0000153200000000 ] - [ -0.0001214500000000, -0.0002698600000000, 0.0005667400000000 ] - [ -0.0002888400000000, -0.0001762800000000, 0.0002207300000000 ] - [ -0.0018464000000000, -0.0001620100000000, -0.0018906600000000 ] - [ -0.0003663200000000, 0.0003087900000000, -0.0002991700000000 ] - [ -0.0008064200000000, 0.0004601700000000, -0.0002449100000000 ] - [ -0.0006862200000000, 0.0005639200000000, -0.0003090500000000 ] - [ 0.0001668100000000, 0.0000153800000000, -0.0003573500000000 ] - [ -0.0000633700000000, -0.0001095600000000, -0.0002522300000000 ] - [ -0.0000342600000000, 0.0003403000000000, 0.0006920800000000 ] - [ 0.0000340600000000, 0.0003542100000000, 0.0007120600000000 ] - [ 0.0002402700000000, -0.0000801500000000, -0.0003396200000000 ] - [ 0.0002546800000000, -0.0001251900000000, -0.0002625900000000 ] - [ -0.0012281500000000, 0.0008310600000000, 0.0004642000000000 ] - [ -0.0002223500000000, 0.0002017100000000, -0.0000249900000000 ] - [ 0.0010690900000000, -0.0020411900000000, 0.0003823700000000 ] - [ -0.0000049800000000, -0.0002573700000000, 0.0006340200000000 ] - [ 0.0001177400000000, 0.0005919600000000, 0.0000195100000000 ] - [ 0.0001534500000000, 0.0004087400000000, 0.0000531600000000 ] - [ 0.0000104400000000, -0.0011040000000000, -0.0004805600000000 ] - [ -0.0002181600000000, -0.0001156100000000, 0.0000495700000000 ] - [ -0.0051800400000000, -0.0085715600000000, -0.0026948000000000 ] - [ -0.0011539300000000, -0.0000739800000000, -0.0005067800000000 ] - [ -0.0003846700000000, -0.0007865900000000, 0.0018600900000000 ] - [ 0.0000001400000000, -0.0006581600000000, 0.0004655300000000 ] - [ 0.0007415700000000, 0.0002545400000000, -0.0007555000000000 ] - [ 0.0003475900000000, 0.0002704800000000, -0.0004257200000000 ] - [ -0.0001363800000000, 0.0004829600000000, 0.0000495000000000 ] - [ -0.0001542400000000, 0.0004063600000000, 0.0000571500000000 ] - [ -0.0000760300000000, -0.0007406100000000, -0.0001190700000000 ] - [ -0.0002219900000000, -0.0004518400000000, -0.0000024700000000 ] - [ -0.0001698000000000, -0.0007830700000000, -0.0005837300000000 ] - [ -0.0003365900000000, -0.0007382400000000, -0.0001227900000000 ] - [ -0.0001210500000000, 0.0000764300000000, -0.0004823100000000 ] - [ -0.0000166300000000, -0.0004000400000000, -0.0007720800000000 ] - [ -0.0019255700000000, 0.0002886200000000, 0.0001022100000000 ] - [ -0.0005064400000000, -0.0004041400000000, -0.0001656400000000 ] - [ -0.0025722700000000, -0.0018025200000000, 0.0096693400000000 ] - [ 0.0006386600000000, -0.0004136000000000, -0.0002046500000000 ] - [ -0.0014429900000000, 0.0009925700000000, -0.0025026600000000 ] - [ -0.0000021600000000, 0.0001412000000000, -0.0004029300000000 ] - [ -0.0000323800000000, -0.0003936200000000, 0.0008678000000000 ] - [ -0.0006230300000000, 0.0000331500000000, 0.0025964500000000 ] - [ 0.0020284600000000, -0.0012898500000000, 0.0007641700000000 ] - [ -0.0013083800000000, -0.0022445000000000, -0.0000368500000000 ] - [ 0.0001128300000000, -0.0007100000000000, 0.0003532300000000 ] - [ 0.0001742700000000, -0.0003519800000000, -0.0000004800000000 ] - [ -0.0001484000000000, 0.0000338000000000, -0.0001812100000000 ] - [ -0.0000040600000000, -0.0000312300000000, 0.0000740500000000 ] - [ 0.0002051600000000, -0.0006708500000000, -0.0006683100000000 ] - [ 0.0003387500000000, -0.0007346900000000, -0.0001212900000000 ] - [ 0.0001583300000000, -0.0001626600000000, -0.0000565100000000 ] - [ 0.0006469500000000, 0.0003919400000000, 0.0014470300000000 ] - [ 0.0004320100000000, -0.0003545900000000, -0.0020815800000000 ] - [ -0.0000658000000000, 0.0001862200000000, -0.0000828200000000 ] - [ -0.0007159200000000, -0.0001751800000000, -0.0004864900000000 ] - [ -0.0006598600000000, 0.0001241700000000, -0.0005026900000000 ] - [ -0.0003149200000000, 0.0005758800000000, -0.0004624500000000 ] - [ 0.0000676000000000, 0.0001895300000000, -0.0000972100000000 ] - [ 0.0007634900000000, -0.0002496300000000, -0.0004835600000000 ] - [ 0.0006639800000000, 0.0001025400000000, -0.0005293600000000 ] - [ 0.0001341600000000, 0.0011265400000000, 0.0005100400000000 ] - [ -0.0000880200000000, 0.0002761400000000, 0.0001756200000000 ] - [ 0.0004427500000000, -0.0001889100000000, -0.0002252300000000 ] - [ 0.0000073600000000, 0.0000401400000000, 0.0003591400000000 ] - [ 0.0000704400000000, 0.0010937300000000, -0.0008878100000000 ] - [ 0.0000081600000000, 0.0003715400000000, 0.0001011600000000 ] - [ 0.0167750200000000, 0.0248179800000000, 0.0238753200000000 ] - [ -0.0000907900000000, 0.0002872100000000, 0.0000779600000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020964500000000, -0.0050410500000000, -0.0002885200000000 ] - [ 0.0000044700000000, -0.0004539400000000, 0.0005792000000000 ] - [ -0.0006953200000000, 0.0009379600000000, -0.0008927200000000 ] - [ 0.0000083300000000, 0.0002454200000000, 0.0001923900000000 ] - [ 0.0009460300000000, 0.0021191900000000, -0.0000221900000000 ] - [ 0.0000219000000000, -0.0002386300000000, 0.0001913100000000 ] - [ 0.0006200700000000, -0.0001006400000000, -0.0009728000000000 ] - [ 0.0000084300000000, -0.0001012400000000, 0.0002483500000000 ] - [ -0.0000081200000000, 0.0014231100000000, -0.0017670100000000 ] - [ 0.0000476900000000, 0.0002586000000000, -0.0009064200000000 ] - [ 0.0001030700000000, -0.0015848200000000, -0.0006462000000000 ] - [ -0.0041397700000000, 0.0001770400000000, 0.0023594700000000 ] - [ 0.0007953900000000, 0.0004967700000000, -0.0005043600000000 ] - [ 0.0007980900000000, 0.0004536200000000, -0.0003651600000000 ] - [ -0.0004045400000000, -0.0001829000000000, -0.0004565800000000 ] - [ -0.0004147500000000, -0.0000916400000000, -0.0004780400000000 ] - [ -0.0002971500000000, -0.0003176800000000, 0.0000598800000000 ] - [ -0.0004537200000000, -0.0003259200000000, 0.0000506000000000 ] - [ 0.0008951600000000, -0.0003695600000000, -0.0002743400000000 ] - [ 0.0001244100000000, -0.0008831800000000, -0.0000164200000000 ] - [ 0.0002998700000000, 0.0001341700000000, 0.0001099300000000 ] - [ 0.0002393800000000, 0.0003199600000000, 0.0003685800000000 ] - [ -0.0001915600000000, 0.0002550700000000, -0.0000386700000000 ] - [ -0.0002488400000000, 0.0003333200000000, 0.0003463200000000 ] - [ -0.0006220000000000, -0.0032857900000000, -0.0033426200000000 ] - [ 0.0002556300000000, -0.0003609600000000, 0.0005188600000000 ] - [ 0.0121113900000000, 0.0125448800000000, 0.0327409600000000 ] - [ 0.0000483200000000, -0.0007602400000000, -0.0000180600000000 ] - [ -0.0000957400000000, 0.0010220100000000, 0.0007780900000000 ] - [ 0.0000062800000000, 0.0005705400000000, 0.0000410700000000 ] - [ 0.0001760000000000, 0.0001062200000000, -0.0002207000000000 ] - [ 0.0001287800000000, 0.0001039200000000, -0.0001098000000000 ] - [ -0.0004187500000000, -0.0002491500000000, 0.0001515000000000 ] - [ -0.0002516200000000, -0.0003448000000000, 0.0005045200000000 ] - [ 0.0012213900000000, 0.0003937800000000, 0.0011079700000000 ] - [ -0.0002676800000000, -0.0000404100000000, -0.0004937700000000 ] - [ -0.0006763200000000, 0.0005568000000000, -0.0004291700000000 ] - [ -0.0007979900000000, 0.0004520300000000, -0.0003649200000000 ] - [ 0.0002001600000000, -0.0003317100000000, 0.0002424200000000 ] - [ 0.0004259300000000, -0.0001981900000000, 0.0001297700000000 ] - [ 0.0000335600000000, 0.0004765700000000, 0.0004620500000000 ] - [ -0.0000338700000000, 0.0004655800000000, 0.0004405800000000 ] - [ 0.0003926200000000, -0.0001758100000000, -0.0004519900000000 ] - [ 0.0003753700000000, -0.0001279700000000, -0.0005276900000000 ] - [ 0.0008523900000000, -0.0005133900000000, -0.0005831700000000 ] - [ -0.0001376500000000, 0.0001051500000000, -0.0001000300000000 ] - [ -0.0010790900000000, 0.0012408900000000, 0.0007856800000000 ] - [ 0.0000044100000000, -0.0005518600000000, 0.0005282000000000 ] - [ 0.0001658400000000, 0.0002573100000000, 0.0000195600000000 ] - [ 0.0001286300000000, 0.0004472400000000, -0.0000155100000000 ] - [ -0.0002930300000000, 0.0002493500000000, 0.0005198500000000 ] - [ -0.0000646200000000, -0.0007368600000000, -0.0000114200000000 ] - [ 0.0037702100000000, 0.0075944300000000, 0.0018576900000000 ] - [ -0.0003279500000000, -0.0009444100000000, -0.0001661000000000 ] - [ 0.0003890200000000, -0.0005620900000000, -0.0009397700000000 ] - [ -0.0000002600000000, -0.0006920100000000, 0.0004695200000000 ] - [ -0.0001111900000000, -0.0000044000000000, -0.0000323900000000 ] - [ 0.0002899300000000, -0.0000155500000000, -0.0003706800000000 ] - [ -0.0001469000000000, 0.0003677400000000, -0.0000114100000000 ] - [ -0.0001274400000000, 0.0004513400000000, -0.0000197100000000 ] - [ -0.0000198500000000, 0.0000494700000000, -0.0001302200000000 ] - [ 0.0001253300000000, -0.0002481500000000, -0.0002429100000000 ] - [ -0.0004167200000000, -0.0006097500000000, 0.0004981800000000 ] - [ -0.0002457100000000, -0.0006588000000000, 0.0000344200000000 ] - [ 0.0001209100000000, -0.0006744400000000, -0.0003531700000000 ] - [ 0.0000169000000000, -0.0002028900000000, -0.0000643200000000 ] - [ 0.0005359400000000, -0.0002663800000000, -0.0006571000000000 ] - [ -0.0008956900000000, 0.0004186100000000, -0.0003871900000000 ] - [ 0.0039514500000000, 0.0018282300000000, -0.0101855700000000 ] - [ 0.0007659500000000, 0.0004247800000000, -0.0003473800000000 ] - [ 0.0014640100000000, -0.0003979000000000, 0.0016728100000000 ] - [ 0.0000026000000000, 0.0004549900000000, -0.0004444000000000 ] - [ 0.0000323800000000, 0.0002163200000000, 0.0004626200000000 ] - [ 0.0006163200000000, -0.0002166300000000, -0.0012627500000000 ] - [ -0.0020058800000000, 0.0002450300000000, -0.0004076800000000 ] - [ 0.0013230600000000, 0.0012445600000000, 0.0003716900000000 ] - [ -0.0000150500000000, 0.0000269300000000, -0.0005850700000000 ] - [ -0.0000785800000000, -0.0003482200000000, -0.0002443500000000 ] - [ 0.0001463400000000, -0.0000347600000000, 0.0005850800000000 ] - [ 0.0000034900000000, 0.0000382600000000, 0.0003340300000000 ] - [ 0.0003777000000000, -0.0007228100000000, 0.0005810100000000 ] - [ 0.0002422000000000, -0.0006626600000000, 0.0000353500000000 ] - [ -0.0001768000000000, 0.0001260400000000, 0.0004554300000000 ] - [ -0.0006491100000000, -0.0003924400000000, -0.0010546000000000 ] - [ -0.0005237500000000, 0.0010408500000000, 0.0018266000000000 ] - [ -0.0000316600000000, 0.0005118800000000, -0.0001549000000000 ] - [ -0.0006846500000000, 0.0001607900000000, -0.0000640000000000 ] - [ -0.0007432500000000, -0.0001475400000000, -0.0000532100000000 ] - [ 0.0004116600000000, 0.0001181500000000, 0.0002268700000000 ] - [ 0.0000305700000000, 0.0005107500000000, -0.0001419200000000 ] - [ 0.0006381500000000, 0.0002343600000000, -0.0000692400000000 ] - [ 0.0007393200000000, -0.0001260600000000, -0.0000254100000000 ] - [ 0.0004454500000000, 0.0002708700000000, -0.0005955400000000 ] - [ 0.0006746200000000, 0.0011204800000000, -0.0002634800000000 ] - [ -0.0004369100000000, 0.0003623900000000, 0.0015654500000000 ] - [ -0.0000079600000000, 0.0001461700000000, 0.0009828700000000 ] - [ -0.0000703800000000, -0.0000689900000000, 0.0012310800000000 ] - [ -0.0000072200000000, 0.0006622500000000, 0.0002322700000000 ] - [ -0.0166471600000000, -0.0205154400000000, -0.0231609500000000 ] - [ -0.0004938800000000, 0.0011084700000000, -0.0001664000000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002140700000000, -0.0004552500000000, 0.0003348800000000 ] - [ 0.0000271100000000, -0.0004518600000000, 0.0003393500000000 ] - [ 0.0000941500000000, 0.0004481500000000, 0.0003479400000000 ] - [ -0.0002604100000000, 0.0004573200000000, 0.0003397300000000 ] - [ 0.0039097000000000, -0.0000209000000000, 0.0002514000000000 ] - [ 0.0001239300000000, -0.0000281000000000, 0.0002570400000000 ] - [ 0.0000950800000000, 0.0000284200000000, 0.0002562800000000 ] - [ -0.0000148600000000, 0.0000319300000000, 0.0002573300000000 ] - [ -0.0000093500000000, 0.0006552000000000, -0.0005533100000000 ] - [ -0.0002859800000000, 0.0006534900000000, -0.0005487700000000 ] - [ 0.0001018300000000, -0.0006361400000000, -0.0005529200000000 ] - [ -0.0003420400000000, -0.0006514300000000, -0.0005587100000000 ] - [ 0.0004581400000000, 0.0006555200000000, -0.0004650500000000 ] - [ 0.0007504300000000, 0.0005020500000000, -0.0003465300000000 ] - [ -0.0003462100000000, -0.0000205200000000, -0.0004053700000000 ] - [ -0.0003185000000000, -0.0001377400000000, -0.0003826600000000 ] - [ -0.0001921600000000, -0.0001429400000000, -0.0000263500000000 ] - [ -0.0001864300000000, -0.0001569200000000, -0.0000631100000000 ] - [ 0.0002089500000000, -0.0009031200000000, -0.0022190900000000 ] - [ 0.0007174000000000, -0.0005217400000000, -0.0003314400000000 ] - [ 0.0002751500000000, 0.0002639000000000, 0.0003127900000000 ] - [ 0.0002698700000000, 0.0002599800000000, 0.0003624000000000 ] - [ -0.0002645800000000, 0.0002577900000000, 0.0004154300000000 ] - [ -0.0002697100000000, 0.0002620600000000, 0.0003659800000000 ] - [ 0.0002609600000000, -0.0005589000000000, 0.0004763300000000 ] - [ 0.0002956500000000, 0.0000789400000000, 0.0005392400000000 ] - [ 0.0001843500000000, -0.0006510900000000, 0.0001160500000000 ] - [ 0.0001862300000000, -0.0003180900000000, 0.0000128500000000 ] - [ -0.0239692500000000, 0.0010405300000000, 0.0021902700000000 ] - [ -0.0000137600000000, 0.0006752100000000, 0.0004671100000000 ] - [ 0.0005208600000000, 0.0001648200000000, 0.0001592000000000 ] - [ 0.0004758500000000, 0.0000360500000000, 0.0001154100000000 ] - [ -0.0002817700000000, 0.0000375600000000, 0.0002466300000000 ] - [ -0.0002473400000000, -0.0005989100000000, 0.0001868700000000 ] - [ -0.0002605200000000, 0.0001052700000000, -0.0003731800000000 ] - [ -0.0001924300000000, 0.0001261400000000, -0.0002725600000000 ] - [ -0.0010265100000000, 0.0003591000000000, -0.0002073400000000 ] - [ -0.0007347000000000, 0.0005136800000000, -0.0003277500000000 ] - [ 0.0001759900000000, -0.0001703600000000, -0.0000931500000000 ] - [ 0.0001748100000000, -0.0001506800000000, -0.0000608200000000 ] - [ 0.0004798900000000, 0.0003910900000000, 0.0005840600000000 ] - [ -0.0000067400000000, 0.0004090900000000, 0.0005773600000000 ] - [ 0.0002956500000000, -0.0002327800000000, -0.0003899100000000 ] - [ 0.0003127300000000, -0.0001162600000000, -0.0004082900000000 ] - [ 0.0001546300000000, 0.0001477200000000, -0.0002784600000000 ] - [ 0.0001182300000000, 0.0002680800000000, -0.0002401200000000 ] - [ 0.0000178500000000, -0.0004085500000000, 0.0005767200000000 ] - [ 0.0000122100000000, -0.0004096200000000, 0.0005764100000000 ] - [ -0.0001318100000000, 0.0005552800000000, -0.0003669500000000 ] - [ 0.0001437600000000, 0.0004171300000000, 0.0000191200000000 ] - [ -0.0001017700000000, -0.0001984600000000, -0.0000773800000000 ] - [ -0.0000971200000000, -0.0005317800000000, 0.0000258900000000 ] - [ -0.0012571700000000, -0.0001124800000000, 0.0015366800000000 ] - [ -0.0007681900000000, -0.0004928400000000, -0.0003432300000000 ] - [ -0.0000193900000000, -0.0006749000000000, 0.0004660700000000 ] - [ -0.0000014300000000, -0.0006746900000000, 0.0004670300000000 ] - [ 0.0003716400000000, 0.0001503300000000, -0.0004183200000000 ] - [ 0.0004347900000000, 0.0001248700000000, -0.0005192100000000 ] - [ -0.0004077300000000, 0.0002972200000000, 0.0004066300000000 ] - [ -0.0001383500000000, 0.0004393800000000, 0.0000186100000000 ] - [ -0.0000556900000000, -0.0003334600000000, -0.0000596900000000 ] - [ -0.0000431300000000, -0.0003469800000000, -0.0001176000000000 ] - [ 0.0003004000000000, -0.0000434500000000, 0.0007033800000000 ] - [ -0.0002848500000000, -0.0006817800000000, -0.0000743500000000 ] - [ 0.0112418200000000, -0.0006389800000000, -0.0021634700000000 ] - [ 0.0000321000000000, -0.0003018300000000, -0.0004209900000000 ] - [ -0.0006027100000000, -0.0001685500000000, -0.0001631600000000 ] - [ -0.0003930100000000, -0.0000614400000000, 0.0002743000000000 ] - [ 0.0007980500000000, 0.0001847100000000, -0.0003887500000000 ] - [ 0.0009974700000000, 0.0000746700000000, -0.0008278700000000 ] - [ -0.0000395600000000, 0.0003026200000000, -0.0004193600000000 ] - [ -0.0000116100000000, 0.0003020500000000, -0.0004201400000000 ] - [ -0.0003699900000000, -0.0000992600000000, 0.0006531000000000 ] - [ 0.0000603300000000, -0.0000919900000000, 0.0006728700000000 ] - [ 0.0088827900000000, -0.0005188300000000, 0.0001829100000000 ] - [ 0.0000726500000000, -0.0005177600000000, 0.0001680800000000 ] - [ 0.0000370600000000, -0.0003603000000000, -0.0001826300000000 ] - [ 0.0000524900000000, -0.0003534700000000, -0.0001233900000000 ] - [ 0.0000141300000000, 0.0000018400000000, 0.0002020000000000 ] - [ -0.0000540100000000, -0.0000112900000000, 0.0002110300000000 ] - [ 0.0008686200000000, -0.0013450400000000, -0.0007895900000000 ] - [ 0.0002971800000000, -0.0007162000000000, -0.0000126500000000 ] - [ -0.0001636200000000, -0.0000011700000000, 0.0002059600000000 ] - [ -0.0000684800000000, -0.0000037400000000, 0.0002028500000000 ] - [ -0.0007522100000000, 0.0006647800000000, 0.0002959100000000 ] - [ -0.0002043400000000, -0.0000051400000000, -0.0000901700000000 ] - [ -0.0005189900000000, 0.0001440200000000, -0.0003776000000000 ] - [ -0.0007016300000000, -0.0000115800000000, -0.0002920500000000 ] - [ -0.0006477800000000, 0.0000194400000000, -0.0005395500000000 ] - [ -0.0001017500000000, 0.0007011400000000, -0.0001498600000000 ] - [ 0.0008900900000000, -0.0001625800000000, -0.0001795100000000 ] - [ 0.0007023700000000, -0.0000105000000000, -0.0002635300000000 ] - [ 0.0004874800000000, 0.0010719500000000, 0.0002541300000000 ] - [ 0.0002685300000000, 0.0007745000000000, -0.0000493700000000 ] - [ -0.0002762100000000, 0.0000881500000000, 0.0006690300000000 ] - [ -0.0003567900000000, 0.0000960800000000, 0.0006675600000000 ] - [ 0.0002962900000000, 0.0005164700000000, 0.0001692200000000 ] - [ 0.0000524000000000, 0.0005163100000000, 0.0001670800000000 ] - [ -0.0001071200000000, 0.0003230000000000, -0.0003308600000000 ] - [ -0.0003144600000000, 0.0006172600000000, -0.0000383900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0008527000000000, 0.0004087600000000 ] - [ 0.0000000000000000, -0.0001402500000000, 0.0005124800000000 ] - [ 0.0000000000000000, 0.0009867500000000, 0.0055756900000000 ] - [ 0.0000000000000000, 0.0004691100000000, -0.0005191400000000 ] - [ 0.0000000000000000, -0.0007927300000000, -0.0002179300000000 ] - [ 0.0000000000000000, 0.0004190800000000, 0.0001095400000000 ] - [ 0.0000000000000000, -0.0001270800000000, 0.0004028400000000 ] - [ 0.0000000000000000, 0.0001882300000000, 0.0005478000000000 ] - [ 0.0000000000000000, 0.0007072400000000, 0.0001581100000000 ] - [ 0.0000000000000000, 0.0001645500000000, -0.0009597700000000 ] - [ 0.0000000000000000, 0.0046473900000000, 0.0064470300000000 ] - [ 0.0000000000000000, 0.0002832700000000, -0.0009235200000000 ] - [ 0.0008091900000000, 0.0003724700000000, -0.0001727900000000 ] - [ 0.0007313400000000, 0.0004871200000000, -0.0003565000000000 ] - [ 0.0001940500000000, -0.0003198400000000, 0.0002016200000000 ] - [ -0.0002652500000000, -0.0000892900000000, -0.0003500500000000 ] - [ -0.0005011800000000, -0.0003771400000000, 0.0002397100000000 ] - [ -0.0001115500000000, -0.0000793500000000, -0.0001010300000000 ] - [ -0.0012605800000000, -0.0024981200000000, -0.0011441900000000 ] - [ 0.0009606500000000, -0.0002981100000000, -0.0004050700000000 ] - [ 0.0002400000000000, 0.0003537900000000, 0.0006521800000000 ] - [ 0.0002498600000000, 0.0003095600000000, 0.0004966800000000 ] - [ -0.0002400000000000, 0.0003537900000000, 0.0006521800000000 ] - [ -0.0002498600000000, 0.0003095600000000, 0.0004966800000000 ] - [ 0.0000219200000000, 0.0004017600000000, -0.0002063800000000 ] - [ 0.0006256100000000, 0.0003209500000000, 0.0001332600000000 ] - [ -0.0001128200000000, -0.0006371400000000, -0.0003318200000000 ] - [ 0.0003174100000000, 0.0002480800000000, 0.0001228700000000 ] - [ 0.0000000000000000, -0.0698496000000000, -0.0465977000000000 ] - [ 0.0000000000000000, 0.0007769600000000, 0.0004711900000000 ] - [ 0.0007881300000000, 0.0004589200000000, 0.0004791200000000 ] - [ -0.0002079000000000, -0.0000199200000000, -0.0003803300000000 ] - [ -0.0000219200000000, 0.0004017600000000, -0.0002063800000000 ] - [ -0.0006256100000000, 0.0003209500000000, 0.0001332600000000 ] - [ -0.0005102900000000, 0.0002249000000000, -0.0004863700000000 ] - [ 0.0001013500000000, -0.0000429000000000, -0.0002249600000000 ] - [ -0.0008091900000000, 0.0003724700000000, -0.0001727900000000 ] - [ -0.0007313400000000, 0.0004871200000000, -0.0003565000000000 ] - [ 0.0005011800000000, -0.0003771400000000, 0.0002397100000000 ] - [ 0.0001115500000000, -0.0000793500000000, -0.0001010300000000 ] - [ 0.0000000000000000, -0.0096710000000000, -0.0299988200000000 ] - [ 0.0000000000000000, 0.0005755200000000, 0.0005204200000000 ] - [ -0.0001940500000000, -0.0003198400000000, 0.0002016200000000 ] - [ 0.0002652500000000, -0.0000892900000000, -0.0003500500000000 ] - [ -0.0007881300000000, 0.0004589200000000, 0.0004791200000000 ] - [ 0.0002079000000000, -0.0000199200000000, -0.0003803300000000 ] - [ 0.0000000000000000, -0.0004408400000000, 0.0005397300000000 ] - [ 0.0000000000000000, -0.0002814600000000, 0.0007503800000000 ] - [ 0.0001996900000000, 0.0005698100000000, 0.0001265100000000 ] - [ 0.0000985700000000, 0.0005355200000000, 0.0000026100000000 ] - [ 0.0001128200000000, -0.0006371400000000, -0.0003318200000000 ] - [ -0.0003174100000000, 0.0002480800000000, 0.0001228700000000 ] - [ 0.0012605800000000, -0.0024981200000000, -0.0011441900000000 ] - [ -0.0009606500000000, -0.0002981100000000, -0.0004050700000000 ] - [ 0.0000000000000000, -0.0006998900000000, 0.0005717000000000 ] - [ 0.0000000000000000, -0.0006987300000000, 0.0006547900000000 ] - [ 0.0005102900000000, 0.0002249000000000, -0.0004863700000000 ] - [ -0.0001013500000000, -0.0000429000000000, -0.0002249600000000 ] - [ -0.0001996900000000, 0.0005698100000000, 0.0001265100000000 ] - [ -0.0000985700000000, 0.0005355200000000, 0.0000026100000000 ] - [ 0.0001033700000000, -0.0001607300000000, -0.0004693600000000 ] - [ -0.0000646000000000, -0.0004920300000000, -0.0001966200000000 ] - [ 0.0001579300000000, -0.0003962500000000, 0.0000623600000000 ] - [ -0.0002904900000000, -0.0006781300000000, -0.0000178800000000 ] - [ 0.0000000000000000, 0.0663041400000000, 0.0793413700000000 ] - [ 0.0000000000000000, -0.0005639000000000, -0.0003374300000000 ] - [ -0.0007918500000000, -0.0003270000000000, 0.0002596100000000 ] - [ -0.0001062200000000, -0.0007747100000000, -0.0009310500000000 ] - [ 0.0007918500000000, -0.0003270000000000, 0.0002596100000000 ] - [ 0.0001062200000000, -0.0007747100000000, -0.0009310500000000 ] - [ 0.0000000000000000, 0.0003999000000000, -0.0004748600000000 ] - [ 0.0000000000000000, 0.0001758100000000, -0.0006633100000000 ] - [ 0.0000000000000000, -0.0003326900000000, -0.0003535100000000 ] - [ 0.0000000000000000, -0.0002636100000000, 0.0009058500000000 ] - [ 0.0000000000000000, 0.0078459400000000, -0.0087655900000000 ] - [ 0.0000000000000000, -0.0009976400000000, 0.0001880500000000 ] - [ -0.0001033700000000, -0.0001607300000000, -0.0004693600000000 ] - [ 0.0000646000000000, -0.0004920300000000, -0.0001966200000000 ] - [ 0.0000000000000000, -0.0001341100000000, 0.0000439300000000 ] - [ 0.0000000000000000, 0.0038271700000000, -0.0014925000000000 ] - [ -0.0001579300000000, -0.0003962500000000, 0.0000623600000000 ] - [ 0.0002904900000000, -0.0006781300000000, -0.0000178800000000 ] - [ 0.0000000000000000, 0.0002932900000000, -0.0000681900000000 ] - [ 0.0000000000000000, -0.0001953900000000, 0.0003211500000000 ] - [ 0.0011333900000000, -0.0006251300000000, -0.0008595100000000 ] - [ -0.0005478200000000, -0.0001315000000000, 0.0003856400000000 ] - [ -0.0003910200000000, 0.0000252600000000, -0.0004902600000000 ] - [ -0.0007606100000000, -0.0001409600000000, -0.0004892500000000 ] - [ -0.0011333900000000, -0.0006251300000000, -0.0008595100000000 ] - [ 0.0005478200000000, -0.0001315000000000, 0.0003856400000000 ] - [ 0.0003910200000000, 0.0000252600000000, -0.0004902600000000 ] - [ 0.0007606100000000, -0.0001409600000000, -0.0004892500000000 ] - [ 0.0015250500000000, 0.0020050700000000, 0.0003914100000000 ] - [ 0.0002994500000000, 0.0001094700000000, -0.0000669500000000 ] - [ 0.0000000000000000, -0.0005588200000000, 0.0000083400000000 ] - [ 0.0000000000000000, 0.0005442100000000, 0.0010485800000000 ] - [ 0.0000000000000000, 0.0006654200000000, -0.0000062200000000 ] - [ 0.0000000000000000, 0.0006576000000000, 0.0001043700000000 ] - [ -0.0015250500000000, 0.0020050700000000, 0.0003914100000000 ] - [ -0.0002994500000000, 0.0001094700000000, -0.0000669500000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0000540900000000, 0.0002669600000000 ] - [ 0.0000000000000000, -0.0007631900000000, 0.0001643200000000 ] - [ 0.0000000000000000, -0.0000763000000000, -0.0047846800000000 ] - [ 0.0000000000000000, 0.0004276100000000, 0.0012003500000000 ] - [ 0.0000000000000000, 0.0007125700000000, 0.0007404400000000 ] - [ 0.0000000000000000, -0.0004784000000000, 0.0004040900000000 ] - [ 0.0000000000000000, 0.0001829900000000, 0.0001056500000000 ] - [ 0.0000000000000000, -0.0001263000000000, -0.0000310000000000 ] - [ 0.0000000000000000, 0.0005884600000000, -0.0012599000000000 ] - [ 0.0000000000000000, 0.0011525100000000, -0.0001552300000000 ] - [ 0.0000000000000000, -0.0059191600000000, -0.0076424600000000 ] - [ 0.0000000000000000, -0.0015841900000000, -0.0002020800000000 ] - [ 0.0006808500000000, 0.0006380000000000, -0.0005006300000000 ] - [ 0.0007514300000000, 0.0005296400000000, -0.0003166500000000 ] - [ -0.0008151600000000, 0.0000754200000000, -0.0009887000000000 ] - [ -0.0003645200000000, -0.0001653000000000, -0.0004396500000000 ] - [ 0.0001374600000000, 0.0000672700000000, -0.0003616900000000 ] - [ -0.0002495800000000, -0.0002289200000000, -0.0000229300000000 ] - [ 0.0027558600000000, 0.0014707800000000, 0.0004767700000000 ] - [ 0.0005244000000000, -0.0007170400000000, -0.0002696600000000 ] - [ 0.0002993500000000, 0.0001687100000000, 0.0000767500000000 ] - [ 0.0002897800000000, 0.0002120500000000, 0.0002322800000000 ] - [ -0.0002993500000000, 0.0001687100000000, 0.0000767500000000 ] - [ -0.0002897800000000, 0.0002120500000000, 0.0002322800000000 ] - [ 0.0005125200000000, -0.0009162800000000, 0.0009320500000000 ] - [ -0.0000897200000000, -0.0008451300000000, 0.0005898700000000 ] - [ 0.0003919300000000, -0.0002198200000000, 0.0003659100000000 ] - [ -0.0000347900000000, -0.0011021400000000, -0.0000848900000000 ] - [ 0.0000000000000000, 0.0726534700000000, 0.0486883000000000 ] - [ 0.0000000000000000, 0.0005728600000000, 0.0004619800000000 ] - [ -0.0004200500000000, -0.0001482800000000, -0.0005940400000000 ] - [ 0.0005760700000000, 0.0003334200000000, 0.0002607500000000 ] - [ -0.0005125200000000, -0.0009162800000000, 0.0009320500000000 ] - [ 0.0000897200000000, -0.0008451300000000, 0.0005898700000000 ] - [ -0.0001227500000000, 0.0000296200000000, -0.0003057400000000 ] - [ -0.0007339700000000, 0.0002994300000000, -0.0005668400000000 ] - [ -0.0006808500000000, 0.0006380000000000, -0.0005006300000000 ] - [ -0.0007514300000000, 0.0005296400000000, -0.0003166500000000 ] - [ -0.0001374600000000, 0.0000672700000000, -0.0003616900000000 ] - [ 0.0002495800000000, -0.0002289200000000, -0.0000229300000000 ] - [ 0.0000000000000000, 0.0104103100000000, 0.0312410900000000 ] - [ 0.0000000000000000, 0.0002403800000000, 0.0006362800000000 ] - [ 0.0008151600000000, 0.0000754200000000, -0.0009887000000000 ] - [ 0.0003645200000000, -0.0001653000000000, -0.0004396500000000 ] - [ 0.0004200500000000, -0.0001482800000000, -0.0005940400000000 ] - [ -0.0005760700000000, 0.0003334200000000, 0.0002607500000000 ] - [ 0.0000000000000000, -0.0003782300000000, 0.0006128200000000 ] - [ 0.0000000000000000, -0.0005338200000000, 0.0004044100000000 ] - [ 0.0000739600000000, 0.0002874700000000, -0.0000981700000000 ] - [ 0.0001835100000000, 0.0003187900000000, 0.0000359800000000 ] - [ -0.0003919300000000, -0.0002198200000000, 0.0003659100000000 ] - [ 0.0000347900000000, -0.0011021400000000, -0.0000848900000000 ] - [ -0.0027558600000000, 0.0014707800000000, 0.0004767700000000 ] - [ -0.0005244000000000, -0.0007170400000000, -0.0002696600000000 ] - [ 0.0000000000000000, -0.0006500500000000, 0.0003606100000000 ] - [ 0.0000000000000000, -0.0006503300000000, 0.0002770000000000 ] - [ 0.0001227500000000, 0.0000296200000000, -0.0003057400000000 ] - [ 0.0007339700000000, 0.0002994300000000, -0.0005668400000000 ] - [ -0.0000739600000000, 0.0002874700000000, -0.0000981700000000 ] - [ -0.0001835100000000, 0.0003187900000000, 0.0000359800000000 ] - [ -0.0001988700000000, -0.0005360100000000, 0.0002272000000000 ] - [ -0.0000325300000000, -0.0002066600000000, -0.0000451400000000 ] - [ -0.0007251200000000, -0.0009841000000000, -0.0001362400000000 ] - [ -0.0002926100000000, -0.0007174000000000, -0.0000710100000000 ] - [ 0.0000000000000000, -0.0681695400000000, -0.0814765200000000 ] - [ 0.0000000000000000, -0.0000378700000000, -0.0005054900000000 ] - [ -0.0006109200000000, 0.0003424300000000, -0.0008060700000000 ] - [ -0.0012932200000000, 0.0007865400000000, 0.0003889800000000 ] - [ 0.0006109200000000, 0.0003424300000000, -0.0008060700000000 ] - [ 0.0012932200000000, 0.0007865400000000, 0.0003889800000000 ] - [ 0.0000000000000000, 0.0002055600000000, -0.0003645200000000 ] - [ 0.0000000000000000, 0.0004250500000000, -0.0001766900000000 ] - [ 0.0000000000000000, 0.0001314400000000, 0.0016664100000000 ] - [ 0.0000000000000000, 0.0000824700000000, 0.0004424100000000 ] - [ 0.0000000000000000, -0.0090253700000000, 0.0091640700000000 ] - [ 0.0000000000000000, -0.0000327500000000, 0.0001506600000000 ] - [ 0.0001988700000000, -0.0005360100000000, 0.0002272000000000 ] - [ 0.0000325300000000, -0.0002066600000000, -0.0000451400000000 ] - [ 0.0000000000000000, 0.0001393500000000, 0.0003539400000000 ] - [ 0.0000000000000000, -0.0037886000000000, 0.0018559600000000 ] - [ 0.0007251200000000, -0.0009841000000000, -0.0001362400000000 ] - [ 0.0002926100000000, -0.0007174000000000, -0.0000710100000000 ] - [ 0.0000000000000000, -0.0003041100000000, 0.0004761100000000 ] - [ 0.0000000000000000, 0.0001901500000000, 0.0000865400000000 ] - [ -0.0012061800000000, 0.0013152800000000, 0.0006030700000000 ] - [ 0.0004589900000000, 0.0008311800000000, -0.0006281700000000 ] - [ -0.0010082900000000, -0.0000523800000000, -0.0000623300000000 ] - [ -0.0006391900000000, 0.0001250800000000, -0.0000667200000000 ] - [ 0.0012061800000000, 0.0013152800000000, 0.0006030700000000 ] - [ -0.0004589900000000, 0.0008311800000000, -0.0006281700000000 ] - [ 0.0010082900000000, -0.0000523800000000, -0.0000623300000000 ] - [ 0.0006391900000000, 0.0001250800000000, -0.0000667200000000 ] - [ -0.0009484400000000, -0.0006022500000000, -0.0004798800000000 ] - [ 0.0002824100000000, 0.0012860200000000, -0.0000184700000000 ] - [ 0.0000000000000000, 0.0007356200000000, 0.0013211400000000 ] - [ 0.0000000000000000, -0.0003711000000000, 0.0002898500000000 ] - [ 0.0000000000000000, 0.0003759100000000, 0.0003427000000000 ] - [ 0.0000000000000000, 0.0003658500000000, 0.0002325400000000 ] - [ 0.0009484400000000, -0.0006022500000000, -0.0004798800000000 ] - [ -0.0002824100000000, 0.0012860200000000, -0.0000184700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0010422500000000, 0.0022274700000000 ] - [ 0.0000000000000000, 0.0000802800000000, 0.0009904500000000 ] - [ 0.0000000000000000, 0.0107604200000000, 0.0038061800000000 ] - [ 0.0000000000000000, -0.0015285700000000, -0.0005798700000000 ] - [ 0.0000000000000000, 0.0005370000000000, -0.0040893400000000 ] - [ 0.0000000000000000, 0.0002901500000000, -0.0007204800000000 ] - [ 0.0000000000000000, -0.0002283600000000, 0.0024014000000000 ] - [ 0.0000000000000000, 0.0008640200000000, 0.0018516300000000 ] - [ 0.0000000000000000, 0.0018968500000000, -0.0002022300000000 ] - [ 0.0000000000000000, -0.0016201600000000, 0.0001636000000000 ] - [ 0.0000000000000000, 0.0256244700000000, 0.0072621400000000 ] - [ 0.0000000000000000, -0.0005972900000000, -0.0001658200000000 ] - [ -0.0002509100000000, 0.0013886300000000, -0.0001021900000000 ] - [ 0.0009305100000000, 0.0002333500000000, -0.0003340400000000 ] - [ 0.0011871600000000, -0.0003237600000000, 0.0010877100000000 ] - [ -0.0000311500000000, 0.0000691900000000, -0.0002157400000000 ] - [ -0.0021613700000000, -0.0016018200000000, 0.0016205500000000 ] - [ -0.0002110800000000, -0.0001369200000000, 0.0000094100000000 ] - [ -0.0066933900000000, -0.0060936900000000, 0.0020234700000000 ] - [ 0.0011133300000000, -0.0001560900000000, -0.0005433000000000 ] - [ 0.0000291300000000, 0.0007848900000000, 0.0024201400000000 ] - [ 0.0001547500000000, 0.0004902500000000, 0.0010641500000000 ] - [ -0.0000291300000000, 0.0007848900000000, 0.0024201400000000 ] - [ -0.0001547500000000, 0.0004902500000000, 0.0010641500000000 ] - [ 0.0005680000000000, 0.0000141200000000, -0.0014535600000000 ] - [ 0.0005487800000000, 0.0005369800000000, -0.0028572600000000 ] - [ -0.0002947700000000, -0.0020366900000000, -0.0002915400000000 ] - [ 0.0007080200000000, 0.0019212700000000, 0.0004371100000000 ] - [ 0.0000000000000000, -0.0504645000000000, -0.3227912000000000 ] - [ 0.0000000000000000, 0.0006770900000000, -0.0001502000000000 ] - [ 0.0006860500000000, 0.0004535900000000, 0.0004761600000000 ] - [ -0.0000834200000000, -0.0008279500000000, -0.0006824400000000 ] - [ -0.0005680000000000, 0.0000141200000000, -0.0014535600000000 ] - [ -0.0005487800000000, 0.0005369800000000, -0.0028572600000000 ] - [ -0.0003463000000000, 0.0000982500000000, -0.0004548500000000 ] - [ 0.0008388100000000, -0.0000996400000000, -0.0000996100000000 ] - [ 0.0002509100000000, 0.0013886300000000, -0.0001021900000000 ] - [ -0.0009305100000000, 0.0002333500000000, -0.0003340400000000 ] - [ 0.0021613700000000, -0.0016018200000000, 0.0016205500000000 ] - [ 0.0002110800000000, -0.0001369200000000, 0.0000094100000000 ] - [ 0.0000000000000000, -0.0006185000000000, 0.0186727600000000 ] - [ 0.0000000000000000, 0.0008575200000000, 0.0003033100000000 ] - [ -0.0011871600000000, -0.0003237600000000, 0.0010877100000000 ] - [ 0.0000311500000000, 0.0000691900000000, -0.0002157400000000 ] - [ -0.0006860500000000, 0.0004535900000000, 0.0004761600000000 ] - [ 0.0000834200000000, -0.0008279500000000, -0.0006824400000000 ] - [ 0.0000000000000000, -0.0004456300000000, 0.0007217000000000 ] - [ 0.0000000000000000, 0.0002092600000000, 0.0012727000000000 ] - [ 0.0010763700000000, 0.0000781700000000, 0.0014026400000000 ] - [ 0.0000558100000000, 0.0005738400000000, 0.0000175600000000 ] - [ 0.0002947700000000, -0.0020366900000000, -0.0002915400000000 ] - [ -0.0007080200000000, 0.0019212700000000, 0.0004371100000000 ] - [ 0.0066933900000000, -0.0060936900000000, 0.0020234700000000 ] - [ -0.0011133300000000, -0.0001560900000000, -0.0005433000000000 ] - [ 0.0000000000000000, -0.0007777000000000, 0.0015821200000000 ] - [ 0.0000000000000000, -0.0008606000000000, 0.0016912300000000 ] - [ 0.0003463000000000, 0.0000982500000000, -0.0004548500000000 ] - [ -0.0008388100000000, -0.0000996400000000, -0.0000996100000000 ] - [ -0.0010763700000000, 0.0000781700000000, 0.0014026400000000 ] - [ -0.0000558100000000, 0.0005738400000000, 0.0000175600000000 ] - [ 0.0008895700000000, 0.0005170200000000, -0.0026077600000000 ] - [ 0.0001025000000000, -0.0006580000000000, -0.0006541500000000 ] - [ -0.0020934300000000, -0.0023368700000000, -0.0029820300000000 ] - [ -0.0000689400000000, -0.0003452100000000, -0.0004303900000000 ] - [ 0.0000000000000000, 0.0505791600000000, 0.3207291300000000 ] - [ 0.0000000000000000, -0.0005239800000000, 0.0001676800000000 ] - [ -0.0007938700000000, 0.0006084500000000, 0.0007024800000000 ] - [ 0.0028255500000000, -0.0054741200000000, 0.0006722600000000 ] - [ 0.0007938700000000, 0.0006084500000000, 0.0007024800000000 ] - [ -0.0028255500000000, -0.0054741200000000, 0.0006722600000000 ] - [ 0.0000000000000000, 0.0007557500000000, -0.0016119900000000 ] - [ 0.0000000000000000, -0.0001324700000000, -0.0016544200000000 ] - [ 0.0000000000000000, -0.0038878500000000, -0.0076923100000000 ] - [ 0.0000000000000000, -0.0002697400000000, 0.0004842500000000 ] - [ 0.0000000000000000, -0.0150815700000000, -0.0175054100000000 ] - [ 0.0000000000000000, -0.0008149100000000, 0.0005608700000000 ] - [ -0.0008895700000000, 0.0005170200000000, -0.0026077600000000 ] - [ -0.0001025000000000, -0.0006580000000000, -0.0006541500000000 ] - [ 0.0000000000000000, -0.0009228200000000, -0.0000772500000000 ] - [ 0.0000000000000000, 0.0045115500000000, -0.0039923400000000 ] - [ 0.0020934300000000, -0.0023368700000000, -0.0029820300000000 ] - [ 0.0000689400000000, -0.0003452100000000, -0.0004303900000000 ] - [ 0.0000000000000000, 0.0002414400000000, -0.0005470300000000 ] - [ 0.0000000000000000, -0.0000938500000000, 0.0001847800000000 ] - [ 0.0012349700000000, -0.0014825000000000, 0.0010492300000000 ] - [ -0.0000511400000000, 0.0009057800000000, 0.0023592500000000 ] - [ 0.0004034100000000, 0.0003424400000000, -0.0021107500000000 ] - [ -0.0008274600000000, -0.0005613900000000, -0.0008200500000000 ] - [ -0.0012349700000000, -0.0014825000000000, 0.0010492300000000 ] - [ 0.0000511400000000, 0.0009057800000000, 0.0023592500000000 ] - [ -0.0004034100000000, 0.0003424400000000, -0.0021107500000000 ] - [ 0.0008274600000000, -0.0005613900000000, -0.0008200500000000 ] - [ 0.0048340400000000, 0.0045533000000000, -0.0002101900000000 ] - [ 0.0006065900000000, -0.0011531400000000, 0.0000551100000000 ] - [ 0.0000000000000000, -0.0008055100000000, 0.0001889000000000 ] - [ 0.0000000000000000, 0.0012241100000000, 0.0008941600000000 ] - [ 0.0000000000000000, -0.0007215600000000, -0.0007396100000000 ] - [ 0.0000000000000000, 0.0017652900000000, -0.0007317000000000 ] - [ -0.0048340400000000, 0.0045533000000000, -0.0002101900000000 ] - [ -0.0006065900000000, -0.0011531400000000, 0.0000551100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0001548700000000, -0.0015855300000000 ] - [ 0.0000000000000000, -0.0010002300000000, -0.0003252700000000 ] - [ 0.0000000000000000, -0.0101246300000000, -0.0032182100000000 ] - [ 0.0000000000000000, 0.0024702700000000, 0.0012822700000000 ] - [ 0.0000000000000000, -0.0006065000000000, 0.0046894600000000 ] - [ 0.0000000000000000, -0.0003598000000000, 0.0012572000000000 ] - [ 0.0000000000000000, 0.0002947700000000, -0.0019361900000000 ] - [ 0.0000000000000000, -0.0008258300000000, -0.0013740400000000 ] - [ 0.0000000000000000, -0.0006221300000000, -0.0009248100000000 ] - [ 0.0000000000000000, 0.0029778700000000, -0.0012897800000000 ] - [ 0.0000000000000000, -0.0276196900000000, -0.0085301500000000 ] - [ 0.0000000000000000, -0.0007220900000000, -0.0009562100000000 ] - [ 0.0017585200000000, -0.0003931600000000, -0.0005761700000000 ] - [ 0.0005481300000000, 0.0007892900000000, -0.0003392600000000 ] - [ -0.0018500900000000, 0.0000792300000000, -0.0019127100000000 ] - [ -0.0006079800000000, -0.0003291800000000, -0.0005799200000000 ] - [ 0.0018492600000000, 0.0013295700000000, -0.0017844900000000 ] - [ -0.0001516000000000, -0.0001739200000000, -0.0001328700000000 ] - [ 0.0083567900000000, 0.0052156200000000, -0.0027446700000000 ] - [ 0.0003595100000000, -0.0008703000000000, -0.0001250300000000 ] - [ 0.0005158900000000, -0.0002749700000000, -0.0017383400000000 ] - [ 0.0003877600000000, 0.0000254700000000, -0.0003523700000000 ] - [ -0.0005158900000000, -0.0002749700000000, -0.0017383400000000 ] - [ -0.0003877600000000, 0.0000254700000000, -0.0003523700000000 ] - [ -0.0000321400000000, -0.0005481800000000, 0.0022238200000000 ] - [ -0.0000151100000000, -0.0010749900000000, 0.0036560500000000 ] - [ 0.0005893400000000, 0.0012198700000000, 0.0003399400000000 ] - [ -0.0004386600000000, -0.0028300200000000, -0.0004090900000000 ] - [ 0.0000000000000000, 0.0450687400000000, 0.2969284300000000 ] - [ 0.0000000000000000, 0.0006714400000000, 0.0010965300000000 ] - [ -0.0003385600000000, -0.0001536200000000, -0.0006132300000000 ] - [ 0.0004543100000000, 0.0011584100000000, 0.0005735800000000 ] - [ 0.0000321400000000, -0.0005481800000000, 0.0022238200000000 ] - [ 0.0000151100000000, -0.0010749900000000, 0.0036560500000000 ] - [ -0.0002830500000000, 0.0001559400000000, -0.0003342900000000 ] - [ -0.0015006400000000, 0.0003618400000000, -0.0006993100000000 ] - [ -0.0017585200000000, -0.0003931600000000, -0.0005761700000000 ] - [ -0.0005481300000000, 0.0007892900000000, -0.0003392600000000 ] - [ -0.0018492600000000, 0.0013295700000000, -0.0017844900000000 ] - [ 0.0001516000000000, -0.0001739200000000, -0.0001328700000000 ] - [ 0.0000000000000000, 0.0017390800000000, -0.0170981800000000 ] - [ 0.0000000000000000, -0.0000517900000000, 0.0008579700000000 ] - [ 0.0018500900000000, 0.0000792300000000, -0.0019127100000000 ] - [ 0.0006079800000000, -0.0003291800000000, -0.0005799200000000 ] - [ 0.0003385600000000, -0.0001536200000000, -0.0006132300000000 ] - [ -0.0004543100000000, 0.0011584100000000, 0.0005735800000000 ] - [ 0.0000000000000000, -0.0003698600000000, 0.0004307100000000 ] - [ 0.0000000000000000, -0.0010398800000000, -0.0001337900000000 ] - [ -0.0008184000000000, 0.0007868500000000, -0.0013969200000000 ] - [ 0.0002297100000000, 0.0002731700000000, 0.0000212200000000 ] - [ -0.0005893400000000, 0.0012198700000000, 0.0003399400000000 ] - [ 0.0004386600000000, -0.0028300200000000, -0.0004090900000000 ] - [ -0.0083567900000000, 0.0052156200000000, -0.0027446700000000 ] - [ -0.0003595100000000, -0.0008703000000000, -0.0001250300000000 ] - [ 0.0000000000000000, -0.0005688300000000, -0.0006758200000000 ] - [ 0.0000000000000000, -0.0004846500000000, -0.0007858300000000 ] - [ 0.0002830500000000, 0.0001559400000000, -0.0003342900000000 ] - [ 0.0015006400000000, 0.0003618400000000, -0.0006993100000000 ] - [ 0.0008184000000000, 0.0007868500000000, -0.0013969200000000 ] - [ -0.0002297100000000, 0.0002731700000000, 0.0000212200000000 ] - [ -0.0010089200000000, -0.0012380900000000, 0.0024235900000000 ] - [ -0.0002023500000000, -0.0000310700000000, 0.0004241800000000 ] - [ 0.0015551400000000, 0.0009800100000000, 0.0029611200000000 ] - [ -0.0005206800000000, -0.0010558900000000, 0.0003511800000000 ] - [ 0.0000000000000000, -0.0448238100000000, -0.2959719000000000 ] - [ 0.0000000000000000, -0.0000712700000000, -0.0010214200000000 ] - [ -0.0006064600000000, -0.0005973800000000, -0.0012813300000000 ] - [ -0.0043105400000000, 0.0056203700000000, -0.0012494600000000 ] - [ 0.0006064600000000, -0.0005973800000000, -0.0012813300000000 ] - [ 0.0043105400000000, 0.0056203700000000, -0.0012494600000000 ] - [ 0.0000000000000000, -0.0001647900000000, 0.0007973700000000 ] - [ 0.0000000000000000, 0.0007454300000000, 0.0008413800000000 ] - [ 0.0000000000000000, 0.0038012900000000, 0.0092279100000000 ] - [ 0.0000000000000000, 0.0000949100000000, 0.0008598000000000 ] - [ 0.0000000000000000, 0.0145999300000000, 0.0186412500000000 ] - [ 0.0000000000000000, -0.0002037900000000, -0.0002313600000000 ] - [ 0.0010089200000000, -0.0012380900000000, 0.0024235900000000 ] - [ 0.0002023500000000, -0.0000310700000000, 0.0004241800000000 ] - [ 0.0000000000000000, 0.0009495100000000, 0.0004905300000000 ] - [ 0.0000000000000000, -0.0046280800000000, 0.0044785500000000 ] - [ -0.0015551400000000, 0.0009800100000000, 0.0029611200000000 ] - [ 0.0005206800000000, -0.0010558900000000, 0.0003511800000000 ] - [ 0.0000000000000000, -0.0002578700000000, 0.0009747000000000 ] - [ 0.0000000000000000, 0.0000944800000000, 0.0002195200000000 ] - [ -0.0013649700000000, 0.0022254700000000, -0.0013098600000000 ] - [ -0.0000417600000000, -0.0002159400000000, -0.0026552500000000 ] - [ -0.0018293500000000, -0.0003736400000000, 0.0015959900000000 ] - [ -0.0005716000000000, 0.0005567400000000, 0.0002798000000000 ] - [ 0.0013649700000000, 0.0022254700000000, -0.0013098600000000 ] - [ 0.0000417600000000, -0.0002159400000000, -0.0026552500000000 ] - [ 0.0018293500000000, -0.0003736400000000, 0.0015959900000000 ] - [ 0.0005716000000000, 0.0005567400000000, 0.0002798000000000 ] - [ -0.0043548900000000, -0.0032510000000000, 0.0001226800000000 ] - [ -0.0000292500000000, 0.0025931000000000, -0.0001446900000000 ] - [ 0.0000000000000000, 0.0010123200000000, 0.0011684000000000 ] - [ 0.0000000000000000, -0.0010690300000000, 0.0004414600000000 ] - [ 0.0000000000000000, 0.0017830200000000, 0.0010981400000000 ] - [ 0.0000000000000000, -0.0007625600000000, 0.0010891200000000 ] - [ 0.0043548900000000, -0.0032510000000000, 0.0001226800000000 ] - [ 0.0000292500000000, 0.0025931000000000, -0.0001446900000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000326600000000, -0.0004518300000000, 0.0003391800000000 ] - [ 0.0000287200000000, -0.0004521900000000, 0.0003396500000000 ] - [ 0.0000132400000000, 0.0004562000000000, 0.0003348100000000 ] - [ -0.0005746300000000, 0.0004662600000000, 0.0003451300000000 ] - [ 0.0004678800000000, -0.0000210800000000, 0.0002477000000000 ] - [ 0.0002296800000000, -0.0000292300000000, 0.0002570500000000 ] - [ -0.0002242200000000, 0.0000298700000000, 0.0002575300000000 ] - [ -0.0000125900000000, 0.0000317000000000, 0.0002548900000000 ] - [ 0.0000482600000000, 0.0006560200000000, -0.0005561100000000 ] - [ 0.0033717400000000, 0.0006446500000000, -0.0005391700000000 ] - [ -0.0007993700000000, -0.0006494400000000, -0.0005529900000000 ] - [ 0.0001915200000000, -0.0006522700000000, -0.0005569800000000 ] - [ 0.0012621300000000, 0.0002745700000000, -0.0003615500000000 ] - [ 0.0007707600000000, 0.0005032300000000, -0.0003735300000000 ] - [ -0.0008573200000000, -0.0036323400000000, 0.0037887300000000 ] - [ -0.0003165800000000, -0.0001039900000000, -0.0004135000000000 ] - [ -0.0002603600000000, -0.0002027000000000, -0.0000260700000000 ] - [ -0.0001786300000000, -0.0001541700000000, -0.0000626500000000 ] - [ 0.0007236300000000, -0.0004637700000000, -0.0002687900000000 ] - [ 0.0007249500000000, -0.0005275900000000, -0.0003361400000000 ] - [ 0.0001976400000000, 0.0004324200000000, 0.0008017700000000 ] - [ 0.0002710100000000, 0.0002620300000000, 0.0003684300000000 ] - [ -0.0003401800000000, 0.0000919500000000, -0.0000664000000000 ] - [ -0.0002681600000000, 0.0002610500000000, 0.0003627000000000 ] - [ 0.0003196500000000, -0.0001696600000000, 0.0002039800000000 ] - [ 0.0002780500000000, -0.0000471800000000, 0.0008405900000000 ] - [ 0.0001424600000000, -0.0003914400000000, -0.0000144100000000 ] - [ 0.0001665000000000, -0.0003477100000000, 0.0000530600000000 ] - [ 0.0004799000000000, 0.0006687500000000, 0.0004569100000000 ] - [ -0.0000067500000000, 0.0006751700000000, 0.0004683400000000 ] - [ -0.0000714500000000, 0.0001941400000000, -0.0003378300000000 ] - [ 0.0010768100000000, -0.0002060900000000, 0.0001099500000000 ] - [ -0.0002226100000000, -0.0003547700000000, 0.0005239800000000 ] - [ -0.0002642000000000, -0.0004738400000000, -0.0001106300000000 ] - [ -0.0003442100000000, 0.0001413300000000, -0.0004082600000000 ] - [ -0.0002180600000000, 0.0000943500000000, -0.0003430200000000 ] - [ -0.0002207500000000, 0.0007425400000000, -0.0003122200000000 ] - [ -0.0007191500000000, 0.0005101000000000, -0.0003013100000000 ] - [ 0.0001035300000000, -0.0001076800000000, -0.0000961200000000 ] - [ 0.0001816300000000, -0.0001524900000000, -0.0000615400000000 ] - [ -0.0203466700000000, 0.0021396400000000, -0.0004489300000000 ] - [ 0.0000327800000000, 0.0004101300000000, 0.0005766300000000 ] - [ -0.0001762900000000, 0.0033885600000000, -0.0045899100000000 ] - [ 0.0003125900000000, -0.0001490200000000, -0.0003766600000000 ] - [ -0.0004344900000000, 0.0001160300000000, 0.0002140800000000 ] - [ 0.0007242100000000, 0.0005011600000000, -0.0002397900000000 ] - [ -0.0000122300000000, -0.0004071100000000, 0.0005781400000000 ] - [ 0.0000213000000000, -0.0004088700000000, 0.0005772000000000 ] - [ 0.0006676100000000, 0.0009647400000000, 0.0010977300000000 ] - [ 0.0001528600000000, 0.0004286500000000, 0.0000142400000000 ] - [ -0.0001412200000000, -0.0004607600000000, 0.0000533600000000 ] - [ -0.0001161900000000, -0.0005059900000000, -0.0000149900000000 ] - [ -0.0007530000000000, -0.0005554000000000, -0.0004030400000000 ] - [ -0.0007601600000000, -0.0004875500000000, -0.0003381900000000 ] - [ 0.0000178500000000, -0.0006746100000000, 0.0004661600000000 ] - [ 0.0000122300000000, -0.0006751400000000, 0.0004679900000000 ] - [ 0.0002853700000000, 0.0001130500000000, -0.0003820300000000 ] - [ 0.0004096500000000, 0.0001579400000000, -0.0004478300000000 ] - [ 0.0003911200000000, -0.0001062800000000, -0.0010503800000000 ] - [ -0.0001297600000000, 0.0004291200000000, 0.0000235800000000 ] - [ 0.0000349100000000, -0.0004636400000000, -0.0004509100000000 ] - [ -0.0000499700000000, -0.0003530600000000, -0.0001194900000000 ] - [ -0.0006280700000000, -0.0014361700000000, -0.0005195100000000 ] - [ -0.0002891300000000, -0.0007702000000000, -0.0001066200000000 ] - [ 0.0093513400000000, -0.0019825600000000, 0.0006023900000000 ] - [ 0.0000277500000000, -0.0003039600000000, -0.0004214900000000 ] - [ -0.0007589300000000, 0.0000791100000000, -0.0003921100000000 ] - [ -0.0005574000000000, 0.0000486600000000, 0.0000384200000000 ] - [ 0.0006405100000000, -0.0000625800000000, -0.0001599400000000 ] - [ 0.0008384800000000, -0.0000314700000000, -0.0005917700000000 ] - [ 0.0000096700000000, 0.0003005800000000, -0.0004206300000000 ] - [ -0.0000204600000000, 0.0003020800000000, -0.0004211500000000 ] - [ 0.0001722700000000, -0.0000891000000000, 0.0006662400000000 ] - [ -0.0000392000000000, -0.0000907300000000, 0.0006703300000000 ] - [ 0.0001270300000000, -0.0005161500000000, 0.0001561900000000 ] - [ -0.0000110700000000, -0.0005156400000000, 0.0001686500000000 ] - [ 0.0001295800000000, -0.0002372000000000, 0.0002030800000000 ] - [ 0.0000461800000000, -0.0003495000000000, -0.0001236500000000 ] - [ 0.0000091600000000, 0.0000000700000000, 0.0002007500000000 ] - [ 0.0099065200000000, -0.0000763600000000, 0.0002450800000000 ] - [ -0.0000511500000000, 0.0000359600000000, 0.0004251200000000 ] - [ 0.0002869800000000, -0.0006321500000000, 0.0000202400000000 ] - [ -0.0001144900000000, -0.0000004300000000, 0.0002024400000000 ] - [ 0.0000311200000000, -0.0000014200000000, 0.0001993500000000 ] - [ 0.0005514300000000, -0.0005951400000000, -0.0003582600000000 ] - [ -0.0005189400000000, -0.0003501700000000, -0.0002505000000000 ] - [ -0.0017858700000000, -0.0007505800000000, 0.0006860600000000 ] - [ -0.0007062700000000, -0.0000110700000000, -0.0002619100000000 ] - [ 0.0006636800000000, 0.0012945600000000, 0.0001176500000000 ] - [ -0.0004090700000000, 0.0010532800000000, 0.0000076200000000 ] - [ -0.0003735100000000, 0.0007412600000000, -0.0012518900000000 ] - [ 0.0006958700000000, -0.0000115100000000, -0.0002915300000000 ] - [ 0.0003139500000000, 0.0006905900000000, -0.0001890500000000 ] - [ 0.0002649200000000, 0.0007734100000000, -0.0000281000000000 ] - [ 0.0002549000000000, 0.0000884500000000, 0.0006697400000000 ] - [ -0.0020025500000000, 0.0000988400000000, 0.0006650800000000 ] - [ -0.0004582200000000, 0.0005127400000000, 0.0001685300000000 ] - [ -0.0003302000000000, 0.0005195700000000, 0.0001657700000000 ] - [ -0.0002749900000000, 0.0007063500000000, 0.0001062500000000 ] - [ -0.0003174200000000, 0.0006220700000000, -0.0000589800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0010373400000000, -0.0006910200000000 ] - [ 0.0000000000000000, -0.0000238900000000, 0.0000428500000000 ] - [ 0.0000000000000000, 0.0080871000000000, 0.0012517000000000 ] - [ 0.0000000000000000, 0.0074995000000000, 0.0027873700000000 ] - [ 0.0000000000000000, -0.0000052600000000, -0.0003248500000000 ] - [ 0.0000000000000000, 0.0008470000000000, 0.0006011800000000 ] - [ 0.0000000000000000, -0.0000829400000000, 0.0006744700000000 ] - [ 0.0000000000000000, 0.0007711900000000, -0.0012215500000000 ] - [ 0.0000000000000000, 0.0024414600000000, 0.0000985700000000 ] - [ 0.0000000000000000, 0.0009142200000000, 0.0004878500000000 ] - [ 0.0000000000000000, -0.0056022800000000, -0.0021427800000000 ] - [ 0.0000000000000000, 0.0009156800000000, -0.0010834300000000 ] - [ -0.0000785100000000, 0.0010888700000000, -0.0002160900000000 ] - [ 0.0011346700000000, 0.0007207700000000, -0.0004718700000000 ] - [ -0.0078153700000000, -0.0040188900000000, -0.0044052200000000 ] - [ -0.0000284200000000, 0.0001552800000000, -0.0002738500000000 ] - [ -0.0000151600000000, -0.0001265400000000, -0.0003572900000000 ] - [ 0.0000974400000000, 0.0001898000000000, -0.0002926200000000 ] - [ 0.0012819200000000, -0.0001726300000000, -0.0009157000000000 ] - [ 0.0009509800000000, -0.0002940000000000, -0.0003692700000000 ] - [ 0.0004805500000000, -0.0003166500000000, -0.0008378900000000 ] - [ 0.0002384800000000, 0.0004627800000000, 0.0005338300000000 ] - [ -0.0004805500000000, -0.0003166500000000, -0.0008378900000000 ] - [ -0.0002384800000000, 0.0004627800000000, 0.0005338300000000 ] - [ 0.0002777800000000, 0.0002014800000000, -0.0003017900000000 ] - [ 0.0002334300000000, -0.0007545700000000, 0.0019999100000000 ] - [ 0.0002376600000000, 0.0001046500000000, -0.0000470700000000 ] - [ 0.0000507000000000, -0.0008298100000000, -0.0000356200000000 ] - [ 0.0000000000000000, -0.0094470100000000, -0.0005207800000000 ] - [ 0.0000000000000000, 0.0008393900000000, 0.0009169600000000 ] - [ 0.0008036500000000, 0.0006927900000000, 0.0004283700000000 ] - [ -0.0007965600000000, 0.0000820200000000, 0.0001900800000000 ] - [ -0.0002777800000000, 0.0002014800000000, -0.0003017900000000 ] - [ -0.0002334300000000, -0.0007545700000000, 0.0019999100000000 ] - [ -0.0005776100000000, 0.0003480200000000, -0.0004935600000000 ] - [ -0.0002834500000000, -0.0000761500000000, -0.0004579000000000 ] - [ 0.0000785100000000, 0.0010888700000000, -0.0002160900000000 ] - [ -0.0011346700000000, 0.0007207700000000, -0.0004718700000000 ] - [ 0.0000151600000000, -0.0001265400000000, -0.0003572900000000 ] - [ -0.0000974400000000, 0.0001898000000000, -0.0002926200000000 ] - [ 0.0000000000000000, -0.2923596500000000, 0.1452674900000000 ] - [ 0.0000000000000000, 0.0009623600000000, 0.0003034900000000 ] - [ 0.0078153700000000, -0.0040188900000000, -0.0044052200000000 ] - [ 0.0000284200000000, 0.0001552800000000, -0.0002738500000000 ] - [ -0.0008036500000000, 0.0006927900000000, 0.0004283700000000 ] - [ 0.0007965600000000, 0.0000820200000000, 0.0001900800000000 ] - [ 0.0000000000000000, -0.0002106600000000, 0.0005713800000000 ] - [ 0.0000000000000000, -0.0008075300000000, 0.0002282100000000 ] - [ 0.0015324100000000, -0.0016423700000000, 0.0016524000000000 ] - [ 0.0000158000000000, 0.0017619200000000, -0.0001269600000000 ] - [ -0.0002376600000000, 0.0001046500000000, -0.0000470700000000 ] - [ -0.0000507000000000, -0.0008298100000000, -0.0000356200000000 ] - [ -0.0012819200000000, -0.0001726300000000, -0.0009157000000000 ] - [ -0.0009509800000000, -0.0002940000000000, -0.0003692700000000 ] - [ 0.0000000000000000, -0.0007043500000000, 0.0005042700000000 ] - [ 0.0000000000000000, -0.0005486900000000, -0.0001530400000000 ] - [ 0.0005776100000000, 0.0003480200000000, -0.0004935600000000 ] - [ 0.0002834500000000, -0.0000761500000000, -0.0004579000000000 ] - [ -0.0015324100000000, -0.0016423700000000, 0.0016524000000000 ] - [ -0.0000158000000000, 0.0017619200000000, -0.0001269600000000 ] - [ -0.0003098400000000, 0.0001615500000000, 0.0008490000000000 ] - [ 0.0000614700000000, -0.0009376400000000, 0.0000210400000000 ] - [ -0.0019820400000000, -0.0009531300000000, -0.0019565600000000 ] - [ 0.0003267300000000, -0.0027522200000000, 0.0004348600000000 ] - [ 0.0000000000000000, 0.3035770600000000, -0.1581412300000000 ] - [ 0.0000000000000000, -0.0012206100000000, -0.0007047700000000 ] - [ -0.0005459600000000, -0.0008564600000000, 0.0002473700000000 ] - [ -0.0012458100000000, 0.0014741500000000, -0.0008528100000000 ] - [ 0.0005459600000000, -0.0008564600000000, 0.0002473700000000 ] - [ 0.0012458100000000, 0.0014741500000000, -0.0008528100000000 ] - [ 0.0000000000000000, 0.0002222000000000, -0.0002675300000000 ] - [ 0.0000000000000000, 0.0004080400000000, 0.0002091700000000 ] - [ 0.0000000000000000, 0.0010022000000000, 0.0023501700000000 ] - [ 0.0000000000000000, -0.0007300500000000, 0.0011264500000000 ] - [ 0.0000000000000000, 0.0029803800000000, 0.0065323100000000 ] - [ 0.0000000000000000, -0.0013411400000000, -0.0001111500000000 ] - [ 0.0003098400000000, 0.0001615500000000, 0.0008490000000000 ] - [ -0.0000614700000000, -0.0009376400000000, 0.0000210400000000 ] - [ 0.0000000000000000, -0.0009128200000000, 0.0000079700000000 ] - [ 0.0000000000000000, -0.0063021800000000, 0.0146839600000000 ] - [ 0.0019820400000000, -0.0009531300000000, -0.0019565600000000 ] - [ -0.0003267300000000, -0.0027522200000000, 0.0004348600000000 ] - [ 0.0000000000000000, 0.0005318500000000, 0.0005476600000000 ] - [ 0.0000000000000000, -0.0004603700000000, 0.0003510300000000 ] - [ 0.0006267900000000, -0.0010431900000000, -0.0001044700000000 ] - [ -0.0015892600000000, -0.0005851500000000, -0.0020667500000000 ] - [ -0.0033610900000000, 0.0031195400000000, 0.0008548700000000 ] - [ -0.0010553600000000, -0.0012920300000000, -0.0004916600000000 ] - [ -0.0006267900000000, -0.0010431900000000, -0.0001044700000000 ] - [ 0.0015892600000000, -0.0005851500000000, -0.0020667500000000 ] - [ 0.0033610900000000, 0.0031195400000000, 0.0008548700000000 ] - [ 0.0010553600000000, -0.0012920300000000, -0.0004916600000000 ] - [ 0.0000305100000000, 0.0002661500000000, 0.0007206300000000 ] - [ 0.0000946300000000, 0.0007848600000000, -0.0000648000000000 ] - [ 0.0000000000000000, -0.0010281000000000, 0.0000442100000000 ] - [ 0.0000000000000000, 0.0010656200000000, -0.0001432400000000 ] - [ 0.0000000000000000, -0.0008144100000000, -0.0000238400000000 ] - [ 0.0000000000000000, 0.0006476400000000, 0.0003553500000000 ] - [ -0.0000305100000000, 0.0002661500000000, 0.0007206300000000 ] - [ -0.0000946300000000, 0.0007848600000000, -0.0000648000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0001423400000000, 0.0013945400000000 ] - [ 0.0000000000000000, -0.0008893100000000, 0.0006446700000000 ] - [ 0.0000000000000000, -0.0072176900000000, -0.0007042200000000 ] - [ 0.0000000000000000, -0.0067364600000000, -0.0021643100000000 ] - [ 0.0000000000000000, -0.0000531500000000, 0.0008495000000000 ] - [ 0.0000000000000000, -0.0009202800000000, -0.0000925700000000 ] - [ 0.0000000000000000, 0.0001476000000000, -0.0001588000000000 ] - [ 0.0000000000000000, -0.0007262700000000, 0.0017620800000000 ] - [ 0.0000000000000000, -0.0011545200000000, -0.0012427400000000 ] - [ 0.0000000000000000, 0.0003727800000000, -0.0016516400000000 ] - [ 0.0000000000000000, 0.0043696500000000, 0.0010809100000000 ] - [ 0.0000000000000000, -0.0022550900000000, -0.0000145800000000 ] - [ 0.0015625100000000, -0.0000725800000000, -0.0004597400000000 ] - [ 0.0003413200000000, 0.0002913900000000, -0.0002001500000000 ] - [ 0.0073451900000000, 0.0038876800000000, 0.0036415900000000 ] - [ -0.0006126100000000, -0.0004158200000000, -0.0005223200000000 ] - [ -0.0003520700000000, -0.0001852900000000, 0.0002416700000000 ] - [ -0.0004665400000000, -0.0005067200000000, 0.0001752000000000 ] - [ 0.0001917100000000, -0.0008489700000000, 0.0002529200000000 ] - [ 0.0005272400000000, -0.0007272500000000, -0.0003030900000000 ] - [ 0.0000558500000000, 0.0008473000000000, 0.0015878000000000 ] - [ 0.0003019000000000, 0.0000543500000000, 0.0001893800000000 ] - [ -0.0000558500000000, 0.0008473000000000, 0.0015878000000000 ] - [ -0.0003019000000000, 0.0000543500000000, 0.0001893800000000 ] - [ 0.0002624600000000, -0.0007336900000000, 0.0010471000000000 ] - [ 0.0003101900000000, 0.0002476700000000, -0.0012979700000000 ] - [ 0.0000442200000000, -0.0009650400000000, 0.0000881300000000 ] - [ 0.0002343800000000, -0.0000143900000000, 0.0000752100000000 ] - [ 0.0000000000000000, 0.0106361100000000, 0.0018326700000000 ] - [ 0.0000000000000000, 0.0005064400000000, 0.0000064000000000 ] - [ -0.0004569300000000, -0.0003945100000000, -0.0005695600000000 ] - [ 0.0011731000000000, 0.0002341500000000, -0.0003184600000000 ] - [ -0.0002624600000000, -0.0007336900000000, 0.0010471000000000 ] - [ -0.0003101900000000, 0.0002476700000000, -0.0012979700000000 ] - [ -0.0000508700000000, -0.0000966200000000, -0.0002964100000000 ] - [ -0.0003506400000000, 0.0003352600000000, -0.0003326300000000 ] - [ -0.0015625100000000, -0.0000725800000000, -0.0004597400000000 ] - [ -0.0003413200000000, 0.0002913900000000, -0.0002001500000000 ] - [ 0.0003520700000000, -0.0001852900000000, 0.0002416700000000 ] - [ 0.0004665400000000, -0.0005067200000000, 0.0001752000000000 ] - [ 0.0000000000000000, 0.2756588600000000, -0.1304550300000000 ] - [ 0.0000000000000000, -0.0001564300000000, 0.0008548200000000 ] - [ -0.0073451900000000, 0.0038876800000000, 0.0036415900000000 ] - [ 0.0006126100000000, -0.0004158200000000, -0.0005223200000000 ] - [ 0.0004569300000000, -0.0003945100000000, -0.0005695600000000 ] - [ -0.0011731000000000, 0.0002341500000000, -0.0003184600000000 ] - [ 0.0000000000000000, -0.0006073300000000, 0.0005852500000000 ] - [ 0.0000000000000000, 0.0000006800000000, 0.0009348600000000 ] - [ -0.0012570900000000, 0.0025236100000000, -0.0016294100000000 ] - [ 0.0002699300000000, -0.0009351800000000, 0.0001673400000000 ] - [ -0.0000442200000000, -0.0009650400000000, 0.0000881300000000 ] - [ -0.0002343800000000, -0.0000143900000000, 0.0000752100000000 ] - [ -0.0001917100000000, -0.0008489700000000, 0.0002529200000000 ] - [ -0.0005272400000000, -0.0007272500000000, -0.0003030900000000 ] - [ 0.0000000000000000, -0.0006439100000000, 0.0004288900000000 ] - [ 0.0000000000000000, -0.0008026400000000, 0.0010953000000000 ] - [ 0.0000508700000000, -0.0000966200000000, -0.0002964100000000 ] - [ 0.0003506400000000, 0.0003352600000000, -0.0003326300000000 ] - [ 0.0012570900000000, 0.0025236100000000, -0.0016294100000000 ] - [ -0.0002699300000000, -0.0009351800000000, 0.0001673400000000 ] - [ 0.0002203800000000, -0.0008632800000000, -0.0011091300000000 ] - [ -0.0001579000000000, 0.0002547800000000, -0.0002644200000000 ] - [ 0.0014018400000000, -0.0004578200000000, 0.0018918000000000 ] - [ -0.0009260900000000, 0.0013985800000000, -0.0005304400000000 ] - [ 0.0000000000000000, -0.2867462600000000, 0.1438350600000000 ] - [ 0.0000000000000000, 0.0006396900000000, -0.0001275500000000 ] - [ -0.0008623100000000, 0.0008961000000000, -0.0008176000000000 ] - [ -0.0001501300000000, -0.0014760700000000, 0.0003005400000000 ] - [ 0.0008623100000000, 0.0008961000000000, -0.0008176000000000 ] - [ 0.0001501300000000, -0.0014760700000000, 0.0003005400000000 ] - [ 0.0000000000000000, 0.0003780800000000, -0.0005782300000000 ] - [ 0.0000000000000000, 0.0001876300000000, -0.0010612400000000 ] - [ 0.0000000000000000, -0.0011972800000000, -0.0010339600000000 ] - [ 0.0000000000000000, 0.0005598200000000, 0.0002061700000000 ] - [ 0.0000000000000000, -0.0040429200000000, -0.0062503200000000 ] - [ 0.0000000000000000, 0.0003218100000000, 0.0004490000000000 ] - [ -0.0002203800000000, -0.0008632800000000, -0.0011091300000000 ] - [ 0.0001579000000000, 0.0002547800000000, -0.0002644200000000 ] - [ 0.0000000000000000, 0.0009343700000000, 0.0004125400000000 ] - [ 0.0000000000000000, 0.0064277600000000, -0.0147478300000000 ] - [ -0.0014018400000000, -0.0004578200000000, 0.0018918000000000 ] - [ 0.0009260900000000, 0.0013985800000000, -0.0005304400000000 ] - [ 0.0000000000000000, -0.0005499400000000, -0.0001431800000000 ] - [ 0.0000000000000000, 0.0004612800000000, 0.0000552600000000 ] - [ -0.0007554200000000, 0.0017814300000000, -0.0001300200000000 ] - [ 0.0015215800000000, 0.0012899800000000, 0.0018645000000000 ] - [ 0.0020187200000000, -0.0031938800000000, -0.0014269800000000 ] - [ -0.0003440600000000, 0.0012916800000000, -0.0000562100000000 ] - [ 0.0007554200000000, 0.0017814300000000, -0.0001300200000000 ] - [ -0.0015215800000000, 0.0012899800000000, 0.0018645000000000 ] - [ -0.0020187200000000, -0.0031938800000000, -0.0014269800000000 ] - [ 0.0003440600000000, 0.0012916800000000, -0.0000562100000000 ] - [ 0.0005622000000000, 0.0011332700000000, -0.0008266900000000 ] - [ 0.0004972800000000, 0.0006069100000000, -0.0000251000000000 ] - [ 0.0000000000000000, 0.0012343500000000, 0.0013256800000000 ] - [ 0.0000000000000000, -0.0009015000000000, 0.0015183400000000 ] - [ 0.0000000000000000, 0.0018570700000000, 0.0003621100000000 ] - [ 0.0000000000000000, 0.0003905800000000, -0.0000215100000000 ] - [ -0.0005622000000000, 0.0011332700000000, -0.0008266900000000 ] - [ -0.0004972800000000, 0.0006069100000000, -0.0000251000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000795800000000, 0.0016368100000000 ] - [ 0.0000000000000000, -0.0007206400000000, 0.0009010800000000 ] - [ 0.0000000000000000, -0.0022838400000000, -0.0055351200000000 ] - [ 0.0000000000000000, -0.0038789400000000, -0.0037674700000000 ] - [ 0.0000000000000000, -0.0001098100000000, 0.0005539500000000 ] - [ 0.0000000000000000, -0.0002544000000000, 0.0000286500000000 ] - [ 0.0000000000000000, 0.0004560100000000, 0.0006457000000000 ] - [ 0.0000000000000000, -0.0006305500000000, 0.0015497700000000 ] - [ 0.0000000000000000, 0.0001854700000000, -0.0021110500000000 ] - [ 0.0000000000000000, -0.0016270100000000, -0.0039754400000000 ] - [ 0.0000000000000000, 0.0019205800000000, 0.0031994600000000 ] - [ 0.0000000000000000, -0.0016982900000000, 0.0003963100000000 ] - [ 0.0005458900000000, 0.0005901400000000, -0.0002731800000000 ] - [ 0.0006271700000000, 0.0001700800000000, -0.0003759200000000 ] - [ 0.0063880700000000, -0.0012252900000000, 0.0058002100000000 ] - [ -0.0005878900000000, -0.0002809200000000, -0.0005483800000000 ] - [ -0.0005058000000000, -0.0003832200000000, 0.0003718600000000 ] - [ -0.0004178700000000, -0.0004203800000000, 0.0001614100000000 ] - [ 0.0001675500000000, -0.0009066700000000, 0.0001061900000000 ] - [ 0.0006491300000000, -0.0006058400000000, -0.0002748800000000 ] - [ 0.0000508700000000, 0.0008119500000000, 0.0017756500000000 ] - [ 0.0002748700000000, 0.0001345600000000, 0.0002878000000000 ] - [ -0.0000508700000000, 0.0008119500000000, 0.0017756500000000 ] - [ -0.0002748700000000, 0.0001345600000000, 0.0002878000000000 ] - [ 0.0002282700000000, -0.0006349900000000, 0.0011157600000000 ] - [ 0.0007149100000000, 0.0005011200000000, 0.0000494300000000 ] - [ 0.0000699600000000, -0.0007550400000000, 0.0001351000000000 ] - [ 0.0002615900000000, 0.0000404800000000, 0.0001546700000000 ] - [ 0.0000000000000000, -0.0296265300000000, 0.0180624100000000 ] - [ 0.0000000000000000, 0.0006161800000000, 0.0001862900000000 ] - [ -0.0004826800000000, -0.0003148000000000, -0.0008889500000000 ] - [ -0.0001840400000000, 0.0000463100000000, -0.0007823900000000 ] - [ -0.0002282700000000, -0.0006349900000000, 0.0011157600000000 ] - [ -0.0007149100000000, 0.0005011200000000, 0.0000494300000000 ] - [ -0.0000879000000000, -0.0000220300000000, -0.0002611300000000 ] - [ -0.0001011500000000, 0.0001556200000000, -0.0001864500000000 ] - [ -0.0005458900000000, 0.0005901400000000, -0.0002731800000000 ] - [ -0.0006271700000000, 0.0001700800000000, -0.0003759200000000 ] - [ 0.0005058000000000, -0.0003832200000000, 0.0003718600000000 ] - [ 0.0004178700000000, -0.0004203800000000, 0.0001614100000000 ] - [ 0.0000000000000000, 0.1349567500000000, -0.1394654900000000 ] - [ 0.0000000000000000, 0.0001301400000000, 0.0005683100000000 ] - [ -0.0063880700000000, -0.0012252900000000, 0.0058002100000000 ] - [ 0.0005878900000000, -0.0002809200000000, -0.0005483800000000 ] - [ 0.0004826800000000, -0.0003148000000000, -0.0008889500000000 ] - [ 0.0001840400000000, 0.0000463100000000, -0.0007823900000000 ] - [ 0.0000000000000000, -0.0004000700000000, 0.0007398700000000 ] - [ 0.0000000000000000, -0.0000527300000000, 0.0009966000000000 ] - [ 0.0005466400000000, 0.0024126500000000, -0.0001901400000000 ] - [ 0.0001946000000000, -0.0005772700000000, 0.0000724200000000 ] - [ -0.0000699600000000, -0.0007550400000000, 0.0001351000000000 ] - [ -0.0002615900000000, 0.0000404800000000, 0.0001546700000000 ] - [ -0.0001675500000000, -0.0009066700000000, 0.0001061900000000 ] - [ -0.0006491300000000, -0.0006058400000000, -0.0002748800000000 ] - [ 0.0000000000000000, -0.0006379500000000, 0.0006107800000000 ] - [ 0.0000000000000000, -0.0008485000000000, 0.0011718100000000 ] - [ 0.0000879000000000, -0.0000220300000000, -0.0002611300000000 ] - [ 0.0001011500000000, 0.0001556200000000, -0.0001864500000000 ] - [ -0.0005466400000000, 0.0024126500000000, -0.0001901400000000 ] - [ -0.0001946000000000, -0.0005772700000000, 0.0000724200000000 ] - [ 0.0002440800000000, -0.0006656400000000, -0.0013813900000000 ] - [ -0.0001382200000000, 0.0001032100000000, -0.0003389200000000 ] - [ -0.0001355900000000, -0.0018580600000000, 0.0010942400000000 ] - [ -0.0007073300000000, 0.0011389200000000, -0.0001639900000000 ] - [ 0.0000000000000000, -0.1152233300000000, 0.1215238400000000 ] - [ 0.0000000000000000, 0.0001413300000000, 0.0000272200000000 ] - [ -0.0008354200000000, 0.0006449000000000, -0.0009204500000000 ] - [ -0.0003308700000000, -0.0008595800000000, -0.0007171800000000 ] - [ 0.0008354200000000, 0.0006449000000000, -0.0009204500000000 ] - [ 0.0003308700000000, -0.0008595800000000, -0.0007171800000000 ] - [ 0.0000000000000000, 0.0002488600000000, -0.0008044700000000 ] - [ 0.0000000000000000, 0.0002440200000000, -0.0011776300000000 ] - [ 0.0000000000000000, -0.0003143100000000, -0.0008582900000000 ] - [ 0.0000000000000000, 0.0002710200000000, -0.0000307200000000 ] - [ 0.0000000000000000, -0.0001020800000000, -0.0023273500000000 ] - [ 0.0000000000000000, -0.0000893500000000, 0.0002025400000000 ] - [ -0.0002440800000000, -0.0006656400000000, -0.0013813900000000 ] - [ 0.0001382200000000, 0.0001032100000000, -0.0003389200000000 ] - [ 0.0000000000000000, 0.0005074700000000, 0.0006879300000000 ] - [ 0.0000000000000000, 0.0152444400000000, -0.0045129400000000 ] - [ 0.0001355900000000, -0.0018580600000000, 0.0010942400000000 ] - [ 0.0007073300000000, 0.0011389200000000, -0.0001639900000000 ] - [ 0.0000000000000000, -0.0002176500000000, -0.0003848200000000 ] - [ 0.0000000000000000, 0.0002224600000000, -0.0000896300000000 ] - [ -0.0014502300000000, 0.0021937100000000, 0.0000323000000000 ] - [ -0.0001569800000000, -0.0000100400000000, 0.0013842600000000 ] - [ 0.0021812100000000, -0.0013403700000000, -0.0012606400000000 ] - [ -0.0004926400000000, 0.0007938600000000, 0.0000397900000000 ] - [ 0.0014502300000000, 0.0021937100000000, 0.0000323000000000 ] - [ 0.0001569800000000, -0.0000100400000000, 0.0013842600000000 ] - [ -0.0021812100000000, -0.0013403700000000, -0.0012606400000000 ] - [ 0.0004926400000000, 0.0007938600000000, 0.0000397900000000 ] - [ 0.0006054900000000, 0.0010782700000000, -0.0008028300000000 ] - [ 0.0004383200000000, 0.0004905600000000, -0.0002265800000000 ] - [ 0.0000000000000000, 0.0009486900000000, 0.0019020800000000 ] - [ 0.0000000000000000, 0.0001163700000000, 0.0029618400000000 ] - [ 0.0000000000000000, 0.0004557000000000, 0.0002819400000000 ] - [ 0.0000000000000000, 0.0012376800000000, 0.0002298200000000 ] - [ -0.0006054900000000, 0.0010782700000000, -0.0008028300000000 ] - [ -0.0004383200000000, 0.0004905600000000, -0.0002265800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0008184800000000, -0.0009451500000000 ] - [ 0.0000000000000000, -0.0001912000000000, -0.0002179400000000 ] - [ 0.0000000000000000, 0.0030974700000000, 0.0061430300000000 ] - [ 0.0000000000000000, 0.0047218700000000, 0.0043923000000000 ] - [ 0.0000000000000000, 0.0000509600000000, -0.0000258400000000 ] - [ 0.0000000000000000, 0.0001887600000000, 0.0004835600000000 ] - [ 0.0000000000000000, -0.0003921100000000, -0.0001318900000000 ] - [ 0.0000000000000000, 0.0006821500000000, -0.0010222700000000 ] - [ 0.0000000000000000, 0.0011094100000000, 0.0009778100000000 ] - [ 0.0000000000000000, 0.0029202000000000, 0.0028136600000000 ] - [ 0.0000000000000000, -0.0032188200000000, -0.0043159600000000 ] - [ 0.0000000000000000, 0.0003718400000000, -0.0015008000000000 ] - [ 0.0009390400000000, 0.0004251500000000, -0.0004004300000000 ] - [ 0.0008510700000000, 0.0008448900000000, -0.0002968700000000 ] - [ -0.0069000200000000, 0.0009290700000000, -0.0064878200000000 ] - [ -0.0000497600000000, 0.0000225500000000, -0.0002464500000000 ] - [ 0.0001419700000000, 0.0000729500000000, -0.0004920800000000 ] - [ 0.0000512100000000, 0.0001063500000000, -0.0002811800000000 ] - [ 0.0013204700000000, -0.0001040300000000, -0.0007732500000000 ] - [ 0.0008304400000000, -0.0004139200000000, -0.0003978500000000 ] - [ 0.0004872100000000, -0.0002863000000000, -0.0010373300000000 ] - [ 0.0002654000000000, 0.0003838300000000, 0.0004361600000000 ] - [ -0.0004872100000000, -0.0002863000000000, -0.0010373300000000 ] - [ -0.0002654000000000, 0.0003838300000000, 0.0004361600000000 ] - [ 0.0003127800000000, 0.0001060000000000, -0.0003774300000000 ] - [ -0.0001750900000000, -0.0010200800000000, 0.0006703600000000 ] - [ 0.0002134900000000, -0.0001002200000000, -0.0000943400000000 ] - [ 0.0000213900000000, -0.0008929800000000, -0.0001163300000000 ] - [ 0.0000000000000000, 0.0316204900000000, -0.0177132200000000 ] - [ 0.0000000000000000, 0.0007311400000000, 0.0007410800000000 ] - [ 0.0008357100000000, 0.0006181600000000, 0.0007557300000000 ] - [ 0.0005508900000000, 0.0002698900000000, 0.0006591500000000 ] - [ -0.0003127800000000, 0.0001060000000000, -0.0003774300000000 ] - [ 0.0001750900000000, -0.0010200800000000, 0.0006703600000000 ] - [ -0.0005429000000000, 0.0002753200000000, -0.0005299400000000 ] - [ -0.0005360200000000, 0.0001029100000000, -0.0006065900000000 ] - [ -0.0009390400000000, 0.0004251500000000, -0.0004004300000000 ] - [ -0.0008510700000000, 0.0008448900000000, -0.0002968700000000 ] - [ -0.0001419700000000, 0.0000729500000000, -0.0004920800000000 ] - [ -0.0000512100000000, 0.0001063500000000, -0.0002811800000000 ] - [ 0.0000000000000000, -0.1404631900000000, 0.1412199200000000 ] - [ 0.0000000000000000, 0.0006801200000000, 0.0005878200000000 ] - [ 0.0069000200000000, 0.0009290700000000, -0.0064878200000000 ] - [ 0.0000497600000000, 0.0000225500000000, -0.0002464500000000 ] - [ -0.0008357100000000, 0.0006181600000000, 0.0007557300000000 ] - [ -0.0005508900000000, 0.0002698900000000, 0.0006591500000000 ] - [ 0.0000000000000000, -0.0004155500000000, 0.0004165500000000 ] - [ 0.0000000000000000, -0.0007595000000000, 0.0001611800000000 ] - [ -0.0002643400000000, -0.0015375100000000, 0.0002124800000000 ] - [ 0.0000896600000000, 0.0014134100000000, -0.0000335800000000 ] - [ -0.0002134900000000, -0.0001002200000000, -0.0000943400000000 ] - [ -0.0000213900000000, -0.0008929800000000, -0.0001163300000000 ] - [ -0.0013204700000000, -0.0001040300000000, -0.0007732500000000 ] - [ -0.0008304400000000, -0.0004139200000000, -0.0003978500000000 ] - [ 0.0000000000000000, -0.0007102100000000, 0.0003192000000000 ] - [ 0.0000000000000000, -0.0005017000000000, -0.0002353500000000 ] - [ 0.0005429000000000, 0.0002753200000000, -0.0005299400000000 ] - [ 0.0005360200000000, 0.0001029100000000, -0.0006065900000000 ] - [ 0.0002643400000000, -0.0015375100000000, 0.0002124800000000 ] - [ -0.0000896600000000, 0.0014134100000000, -0.0000335800000000 ] - [ -0.0003368800000000, -0.0000329200000000, 0.0011317200000000 ] - [ 0.0000424300000000, -0.0007905100000000, 0.0000972800000000 ] - [ -0.0004455300000000, 0.0004597000000000, -0.0011631300000000 ] - [ 0.0001110900000000, -0.0025057600000000, 0.0000716500000000 ] - [ 0.0000000000000000, 0.1201632600000000, -0.1225187600000000 ] - [ 0.0000000000000000, -0.0007312800000000, -0.0008625100000000 ] - [ -0.0005699300000000, -0.0006139500000000, 0.0003556500000000 ] - [ -0.0010721600000000, 0.0008754700000000, 0.0001651300000000 ] - [ 0.0005699300000000, -0.0006139500000000, 0.0003556500000000 ] - [ 0.0010721600000000, 0.0008754700000000, 0.0001651300000000 ] - [ 0.0000000000000000, 0.0003499400000000, -0.0000381000000000 ] - [ 0.0000000000000000, 0.0003547800000000, 0.0003323700000000 ] - [ 0.0000000000000000, 0.0001276000000000, 0.0021937100000000 ] - [ 0.0000000000000000, -0.0004473700000000, 0.0013692100000000 ] - [ 0.0000000000000000, -0.0009680300000000, 0.0026630800000000 ] - [ 0.0000000000000000, -0.0009354800000000, 0.0001335600000000 ] - [ 0.0003368800000000, -0.0000329200000000, 0.0011317200000000 ] - [ -0.0000424300000000, -0.0007905100000000, 0.0000972800000000 ] - [ 0.0000000000000000, -0.0004914600000000, -0.0002706600000000 ] - [ 0.0000000000000000, -0.0148866100000000, 0.0049426200000000 ] - [ 0.0004455300000000, 0.0004597000000000, -0.0011631300000000 ] - [ -0.0001110900000000, -0.0025057600000000, 0.0000716500000000 ] - [ 0.0000000000000000, 0.0002000700000000, 0.0007992400000000 ] - [ 0.0000000000000000, -0.0002260900000000, 0.0004987600000000 ] - [ 0.0013363900000000, -0.0014739100000000, -0.0002675800000000 ] - [ 0.0000723400000000, 0.0007052000000000, -0.0016125500000000 ] - [ -0.0035478800000000, 0.0012964500000000, 0.0007006100000000 ] - [ -0.0009068100000000, -0.0008023300000000, -0.0005906800000000 ] - [ -0.0013363900000000, -0.0014739100000000, -0.0002675800000000 ] - [ -0.0000723400000000, 0.0007052000000000, -0.0016125500000000 ] - [ 0.0035478800000000, 0.0012964500000000, 0.0007006100000000 ] - [ 0.0009068100000000, -0.0008023300000000, -0.0005906800000000 ] - [ -0.0000221100000000, 0.0003127600000000, 0.0007033500000000 ] - [ 0.0001509000000000, 0.0009050900000000, 0.0001373500000000 ] - [ 0.0000000000000000, -0.0007516700000000, -0.0005411000000000 ] - [ 0.0000000000000000, 0.0000548200000000, -0.0015949100000000 ] - [ 0.0000000000000000, 0.0005837300000000, 0.0000562400000000 ] - [ 0.0000000000000000, -0.0002013400000000, 0.0001071200000000 ] - [ 0.0000221100000000, 0.0003127600000000, 0.0007033500000000 ] - [ -0.0001509000000000, 0.0009050900000000, 0.0001373500000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0162756500000000, 0.0017853400000000, 0.0048305500000000 ] - [ -0.0000524700000000, -0.0001668600000000, 0.0001359200000000 ] - [ 0.0002341700000000, 0.0002003700000000, 0.0001484600000000 ] - [ 0.0000882400000000, 0.0008545700000000, 0.0006833400000000 ] - [ -0.0000294800000000, -0.0002295800000000, 0.0001384500000000 ] - [ -0.0000539400000000, -0.0000934200000000, 0.0003995400000000 ] - [ 0.0014201900000000, -0.0009095400000000, 0.0004790700000000 ] - [ 0.0001141700000000, -0.0007791200000000, -0.0007235600000000 ] - [ -0.0001098000000000, -0.0004545100000000, -0.0003835700000000 ] - [ -0.0033781100000000, 0.0034674300000000, 0.0031001500000000 ] - [ 0.0034102400000000, -0.0000817100000000, 0.0134127400000000 ] - [ 0.0000285600000000, -0.0013378200000000, 0.0009110000000000 ] - [ 0.0000692300000000, 0.0005061300000000, -0.0003153900000000 ] - [ 0.0000988600000000, 0.0009868100000000, -0.0001279000000000 ] - [ 0.0017194600000000, 0.0005461300000000, -0.0002497500000000 ] - [ -0.0000647700000000, 0.0000363200000000, -0.0004729000000000 ] - [ 0.1397879900000000, 0.1147897600000000, -0.0591103400000000 ] - [ 0.0001482100000000, -0.0000133700000000, -0.0001791700000000 ] - [ 0.0018522400000000, 0.0003096200000000, -0.0003437500000000 ] - [ 0.0008154300000000, -0.0005088600000000, -0.0002872400000000 ] - [ 0.0383243500000000, -0.0031148400000000, -0.0383406100000000 ] - [ 0.0003670800000000, 0.0002381800000000, 0.0002484500000000 ] - [ -0.0022944400000000, 0.0004288400000000, 0.0017824000000000 ] - [ -0.0003854800000000, 0.0002878000000000, 0.0002506500000000 ] - [ 0.0002506100000000, -0.0003254700000000, 0.0004475300000000 ] - [ 0.0002960400000000, -0.0007205200000000, 0.0017503900000000 ] - [ -0.0000271400000000, -0.0008726100000000, -0.0000103700000000 ] - [ -0.0002220200000000, -0.0011936900000000, -0.0001556700000000 ] - [ -0.0000091000000000, 0.0008270600000000, 0.0014160600000000 ] - [ 0.0000047500000000, 0.0006588600000000, 0.0006171200000000 ] - [ 0.0001956800000000, 0.0001088300000000, -0.0000634400000000 ] - [ 0.0005756700000000, 0.0005458700000000, 0.0002963600000000 ] - [ -0.0002446100000000, -0.0003173000000000, 0.0004625000000000 ] - [ -0.0002365300000000, -0.0005127900000000, 0.0011328000000000 ] - [ -0.0005915300000000, 0.0001071000000000, -0.0005632700000000 ] - [ -0.0038848700000000, 0.0009760400000000, -0.0006674100000000 ] - [ -0.0005698900000000, 0.0001041100000000, 0.0001449200000000 ] - [ -0.0001762100000000, 0.0010098700000000, -0.0001561700000000 ] - [ -0.0043708300000000, 0.0034774300000000, -0.0034097000000000 ] - [ -0.0001116700000000, 0.0000272100000000, -0.0001293000000000 ] - [ 0.0000811500000000, 0.0001457600000000, 0.0008662900000000 ] - [ -0.0000018400000000, 0.0005160700000000, 0.0004888900000000 ] - [ -0.0002856000000000, -0.0000149000000000, -0.0004126100000000 ] - [ 0.0001065800000000, 0.0000921600000000, -0.0005358000000000 ] - [ -0.0002218000000000, 0.0001362900000000, -0.0000702500000000 ] - [ -0.0007241100000000, 0.0006255800000000, 0.0003248000000000 ] - [ 0.0006081100000000, -0.0010997000000000, -0.0008181600000000 ] - [ -0.0004629200000000, 0.0011513100000000, 0.0004627800000000 ] - [ 0.0011024500000000, -0.0009717100000000, 0.0004912900000000 ] - [ 0.0001405000000000, 0.0005304900000000, 0.0000019200000000 ] - [ 0.0000058800000000, -0.0009060600000000, -0.0000474300000000 ] - [ 0.0001293900000000, -0.0008623700000000, -0.0001086300000000 ] - [ -0.0018254200000000, 0.0003300900000000, -0.0004894600000000 ] - [ -0.0007430300000000, -0.0005578600000000, -0.0002673200000000 ] - [ -0.0007000700000000, -0.0018503800000000, 0.0017711600000000 ] - [ -0.0001526000000000, -0.0001707000000000, 0.0004653600000000 ] - [ 0.0005740900000000, 0.0001093200000000, -0.0005555000000000 ] - [ 0.0026073600000000, 0.0009248000000000, -0.0014002200000000 ] - [ -0.0005773000000000, -0.0005525900000000, 0.0003830900000000 ] - [ -0.0001326900000000, 0.0005427800000000, 0.0000001900000000 ] - [ -0.2233903200000000, -0.1343144300000000, 0.1085093300000000 ] - [ -0.0005268500000000, -0.0003653500000000, -0.0000537800000000 ] - [ -0.0013414900000000, 0.0003914100000000, -0.0002202200000000 ] - [ -0.0007640700000000, -0.0010754600000000, 0.0000997600000000 ] - [ -0.0000766400000000, -0.0002229600000000, -0.0012023900000000 ] - [ -0.0000073200000000, -0.0004134700000000, -0.0005165600000000 ] - [ -0.0011285600000000, 0.0004300000000000, -0.0004615200000000 ] - [ -0.0032932900000000, 0.0005190300000000, -0.0018170200000000 ] - [ 0.0011040700000000, 0.0003940600000000, -0.0004685000000000 ] - [ 0.0043520500000000, 0.0012367500000000, -0.0041324300000000 ] - [ 0.0018582900000000, 0.0059271500000000, 0.0012884100000000 ] - [ 0.0003045200000000, -0.0008925400000000, -0.0002573600000000 ] - [ 0.0216320200000000, 0.0183735600000000, -0.0215248700000000 ] - [ -0.0001714900000000, -0.0008747800000000, -0.0006714900000000 ] - [ -0.0001649300000000, -0.0025376500000000, -0.0019564600000000 ] - [ -0.0000244400000000, -0.0004812000000000, -0.0002734400000000 ] - [ 0.0111704900000000, -0.0020221700000000, 0.0014549200000000 ] - [ 0.0004965800000000, -0.0004197000000000, -0.0000640400000000 ] - [ -0.0000629100000000, -0.0002279100000000, 0.0006084700000000 ] - [ -0.0009198600000000, -0.0006154200000000, -0.0003694300000000 ] - [ 0.0011673000000000, 0.0003550400000000, 0.0007192900000000 ] - [ 0.0007937300000000, -0.0010861300000000, 0.0000272000000000 ] - [ 0.0036204500000000, -0.0038883200000000, 0.0055844100000000 ] - [ -0.0000099900000000, 0.0007955900000000, 0.0008762500000000 ] - [ 0.0000620800000000, 0.0004632500000000, -0.0001023000000000 ] - [ 0.0002720900000000, 0.0003750200000000, -0.0013717500000000 ] - [ 0.0003877600000000, -0.0001472700000000, -0.0013889700000000 ] - [ -0.0003250900000000, 0.0000794900000000, -0.0001054800000000 ] - [ -0.0000573100000000, 0.0004879000000000, -0.0001723900000000 ] - [ -0.0002019300000000, 0.0002390200000000, -0.0008727300000000 ] - [ -0.0045762600000000, -0.0035658500000000, -0.0086544800000000 ] - [ 0.0004234200000000, 0.0000919100000000, -0.0001758100000000 ] - [ -0.0016607400000000, 0.0006056000000000, 0.0002063500000000 ] - [ 0.0000449000000000, 0.0009648200000000, 0.0000248900000000 ] - [ 0.0000180100000000, 0.0003512000000000, 0.0004943300000000 ] - [ 0.0004339000000000, -0.0004630800000000, -0.0005342300000000 ] - [ 0.0003196200000000, 0.0014137200000000, -0.0008133500000000 ] - [ 0.0003695800000000, -0.0006846100000000, -0.0002439700000000 ] - [ 0.0010665400000000, 0.0008506500000000, 0.0008428800000000 ] - [ 0.0000140200000000, 0.0011871000000000, 0.0000392200000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0154874300000000, -0.0022712000000000, -0.0033744700000000 ] - [ 0.0000523300000000, -0.0007470900000000, 0.0005427800000000 ] - [ -0.0002403100000000, 0.0007135000000000, 0.0005346800000000 ] - [ -0.0000872800000000, 0.0000418300000000, -0.0000048400000000 ] - [ 0.0000278500000000, 0.0001801400000000, 0.0003652700000000 ] - [ 0.0000526300000000, 0.0000281800000000, 0.0001136900000000 ] - [ -0.0014999200000000, 0.0010062800000000, 0.0000346400000000 ] - [ -0.0001155900000000, 0.0008305700000000, 0.0012360100000000 ] - [ 0.0001108800000000, 0.0017518100000000, -0.0007235300000000 ] - [ 0.0035294300000000, -0.0022080200000000, -0.0041969700000000 ] - [ -0.0033729600000000, -0.0012083500000000, -0.0144046400000000 ] - [ -0.0000269500000000, 0.0000220100000000, -0.0020427500000000 ] - [ 0.0014145800000000, 0.0005109900000000, -0.0003543000000000 ] - [ 0.0013900900000000, 0.0000259000000000, -0.0005479700000000 ] - [ -0.0023898200000000, -0.0008129400000000, -0.0005468700000000 ] - [ -0.0005703400000000, -0.0002932400000000, -0.0003168300000000 ] - [ -0.1449357100000000, -0.1228965300000000, 0.0646213200000000 ] - [ -0.0005150600000000, -0.0003010000000000, 0.0000583600000000 ] - [ -0.0003566300000000, -0.0013191600000000, -0.0003518900000000 ] - [ 0.0006636000000000, -0.0005111500000000, -0.0003858900000000 ] - [ -0.0386340800000000, 0.0044902300000000, 0.0410195200000000 ] - [ 0.0001720900000000, 0.0002810600000000, 0.0004790000000000 ] - [ 0.0017417600000000, 0.0001067900000000, -0.0010181900000000 ] - [ -0.0001548200000000, 0.0002310400000000, 0.0004762700000000 ] - [ 0.0002889100000000, -0.0001946900000000, 0.0002770600000000 ] - [ 0.0002433700000000, 0.0001977900000000, -0.0010179400000000 ] - [ 0.0003097400000000, 0.0000200800000000, 0.0000463500000000 ] - [ 0.0005017000000000, 0.0003327200000000, 0.0001921700000000 ] - [ 0.0000088600000000, 0.0005229500000000, -0.0004837800000000 ] - [ -0.0000052200000000, 0.0006897100000000, 0.0003114100000000 ] - [ 0.0001664400000000, 0.0002011600000000, -0.0000590300000000 ] - [ -0.0002190500000000, -0.0002412600000000, -0.0004242800000000 ] - [ -0.0002959600000000, -0.0002034700000000, 0.0002615400000000 ] - [ -0.0003036700000000, -0.0000085300000000, -0.0004046200000000 ] - [ -0.0000416800000000, 0.0001468200000000, -0.0002299700000000 ] - [ 0.0032469100000000, -0.0007177300000000, -0.0001241100000000 ] - [ -0.0009037000000000, 0.0009199300000000, -0.0008144900000000 ] - [ -0.0013112300000000, 0.0000018500000000, -0.0005185600000000 ] - [ 0.0047165200000000, -0.0037426500000000, 0.0032456900000000 ] - [ 0.0004778600000000, -0.0003420700000000, 0.0000086900000000 ] - [ -0.0000841800000000, 0.0006752000000000, 0.0002847900000000 ] - [ 0.0000012700000000, 0.0002966800000000, 0.0006690500000000 ] - [ 0.0009137800000000, -0.0002352500000000, -0.0003735600000000 ] - [ 0.0005271100000000, -0.0003502200000000, -0.0002533500000000 ] - [ -0.0001414500000000, 0.0001734400000000, -0.0000517600000000 ] - [ 0.0003702400000000, -0.0003229000000000, -0.0004519800000000 ] - [ -0.0006072200000000, 0.0002823800000000, 0.0019665500000000 ] - [ 0.0004644800000000, -0.0019600300000000, 0.0006900700000000 ] - [ -0.0008306100000000, 0.0018624000000000, -0.0004628000000000 ] - [ 0.0001439100000000, 0.0003143400000000, 0.0000374400000000 ] - [ -0.0002864600000000, 0.0000490300000000, 0.0000814900000000 ] - [ -0.0004113700000000, 0.0000050700000000, 0.0001459700000000 ] - [ 0.0003361500000000, -0.0013396600000000, -0.0001883000000000 ] - [ -0.0007370200000000, -0.0004623500000000, -0.0004058800000000 ] - [ 0.0006993900000000, 0.0004899000000000, -0.0008305900000000 ] - [ 0.0001531000000000, -0.0011767800000000, 0.0004737600000000 ] - [ 0.0000576200000000, 0.0001446300000000, -0.0002372300000000 ] - [ -0.0019687200000000, -0.0006661900000000, 0.0006110300000000 ] - [ 0.0002962300000000, 0.0014165900000000, -0.0003425200000000 ] - [ -0.0001526700000000, 0.0003023000000000, 0.0000389800000000 ] - [ 0.2281640800000000, 0.1400055500000000, -0.1175383900000000 ] - [ 0.0004307400000000, -0.0003241500000000, -0.0001902400000000 ] - [ 0.0007649800000000, -0.0018189800000000, 0.0001353000000000 ] - [ 0.0001777400000000, -0.0003094700000000, -0.0001882300000000 ] - [ 0.0000786700000000, -0.0003820000000000, 0.0003636400000000 ] - [ 0.0000069900000000, -0.0001806500000000, -0.0003231400000000 ] - [ -0.0002780300000000, -0.0004036300000000, -0.0000878400000000 ] - [ 0.0018818900000000, -0.0004956400000000, 0.0012561500000000 ] - [ 0.0002995000000000, -0.0003714100000000, -0.0000802800000000 ] - [ -0.0029473900000000, -0.0012123400000000, 0.0035620700000000 ] - [ -0.0018524700000000, -0.0052849200000000, -0.0021134800000000 ] - [ -0.0003063800000000, 0.0014916800000000, -0.0005865400000000 ] - [ -0.0216323000000000, -0.0186700700000000, 0.0228421100000000 ] - [ 0.0001706600000000, 0.0007078500000000, 0.0020294400000000 ] - [ 0.0001595600000000, 0.0014827500000000, 0.0022839200000000 ] - [ 0.0000232500000000, -0.0005410400000000, 0.0006155700000000 ] - [ -0.0109570700000000, 0.0013075400000000, -0.0016776400000000 ] - [ -0.0004018100000000, -0.0002686900000000, -0.0001787800000000 ] - [ 0.0000632900000000, 0.0002380300000000, -0.0002071300000000 ] - [ 0.0009420400000000, 0.0006258800000000, 0.0007833300000000 ] - [ -0.0005835000000000, -0.0017578000000000, -0.0008164000000000 ] - [ -0.0002107400000000, -0.0002983600000000, -0.0001135000000000 ] - [ -0.0036298300000000, 0.0038633600000000, -0.0051468900000000 ] - [ 0.0000094900000000, -0.0007920500000000, -0.0004628700000000 ] - [ -0.0001582100000000, 0.0002321200000000, -0.0001395400000000 ] - [ -0.0003726300000000, 0.0003312500000000, 0.0011303400000000 ] - [ -0.0018180700000000, 0.0001069600000000, 0.0008094500000000 ] - [ -0.0010792500000000, -0.0000920900000000, -0.0004520200000000 ] - [ 0.0001529500000000, 0.0002067800000000, -0.0000665500000000 ] - [ 0.0002979500000000, 0.0004629900000000, 0.0006337500000000 ] - [ 0.0058710900000000, 0.0036714500000000, 0.0083810300000000 ] - [ 0.0009791500000000, -0.0001035400000000, -0.0003797700000000 ] - [ 0.0022630300000000, 0.0007948700000000, -0.0002574800000000 ] - [ 0.0005417400000000, 0.0004359200000000, -0.0001122800000000 ] - [ -0.0000191500000000, -0.0001670700000000, 0.0008447300000000 ] - [ -0.0004644400000000, 0.0006595100000000, 0.0019076600000000 ] - [ -0.0003243200000000, -0.0003754100000000, 0.0011378700000000 ] - [ -0.0003844600000000, 0.0017365700000000, 0.0005718000000000 ] - [ -0.0016497600000000, 0.0005395400000000, -0.0009218100000000 ] - [ -0.0006007000000000, 0.0002158700000000, -0.0001270100000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064072300000000, 0.0100499600000000, 0.0038401200000000 ] - [ -0.0000289900000000, -0.0026568800000000, 0.0004437700000000 ] - [ 0.0000186500000000, 0.0009292000000000, 0.0017366100000000 ] - [ 0.0000507600000000, -0.0004342700000000, 0.0003676100000000 ] - [ -0.0002074600000000, 0.0011261400000000, -0.0001622300000000 ] - [ -0.0000457700000000, -0.0010035600000000, 0.0004408500000000 ] - [ 0.0006784200000000, 0.0025571600000000, 0.0005566600000000 ] - [ -0.0002373800000000, -0.0020541900000000, -0.0005708100000000 ] - [ 0.0001953100000000, -0.0019185700000000, 0.0008911100000000 ] - [ 0.0061745900000000, -0.0012560200000000, -0.0015502200000000 ] - [ 0.0030694300000000, 0.0017900400000000, 0.0110633200000000 ] - [ 0.0002581000000000, -0.0021846300000000, -0.0026775000000000 ] - [ 0.0009690700000000, 0.0006178100000000, 0.0002280500000000 ] - [ 0.0013294200000000, 0.0000189800000000, -0.0005456000000000 ] - [ -0.0016569100000000, -0.0006478000000000, -0.0009188900000000 ] - [ -0.0005777800000000, -0.0005167600000000, -0.0002483200000000 ] - [ 0.1007558500000000, 0.1225407000000000, -0.0402600100000000 ] - [ -0.0007673900000000, -0.0009587500000000, 0.0003692800000000 ] - [ 0.0026740600000000, 0.0012116300000000, -0.0013455700000000 ] - [ 0.0001166300000000, -0.0011701100000000, -0.0001607200000000 ] - [ 0.0049344600000000, 0.0733785400000000, 0.0851153300000000 ] - [ 0.0003546500000000, -0.0001866600000000, 0.0000021500000000 ] - [ -0.0001946100000000, 0.0011992800000000, 0.0009933200000000 ] - [ -0.0003356400000000, -0.0002627300000000, -0.0000147300000000 ] - [ 0.0002805100000000, -0.0001531900000000, 0.0001400300000000 ] - [ 0.0002211200000000, -0.0007336300000000, 0.0017415900000000 ] - [ 0.0001719600000000, -0.0000722100000000, -0.0003780000000000 ] - [ -0.0001839500000000, -0.0018278700000000, -0.0000846700000000 ] - [ 0.0000132700000000, 0.0008656500000000, 0.0013443300000000 ] - [ 0.0000033900000000, 0.0005334100000000, 0.0001502100000000 ] - [ 0.0002086400000000, 0.0001498300000000, 0.0000874600000000 ] - [ 0.0000139700000000, 0.0000084800000000, -0.0002147600000000 ] - [ -0.0002542400000000, -0.0002114100000000, 0.0000669000000000 ] - [ -0.0001763200000000, -0.0005978800000000, 0.0012683600000000 ] - [ -0.0004377200000000, -0.0000448500000000, -0.0006995200000000 ] - [ 0.0001585300000000, -0.0000052400000000, -0.0007293200000000 ] - [ -0.0008124200000000, 0.0003627500000000, 0.0004008100000000 ] - [ -0.0011866300000000, -0.0000206000000000, -0.0005513600000000 ] - [ -0.0024847400000000, 0.0030419200000000, -0.0027911600000000 ] - [ 0.0007266400000000, -0.0010398900000000, 0.0002967900000000 ] - [ -0.0001139000000000, 0.0009245100000000, 0.0002579600000000 ] - [ -0.0000018500000000, -0.0001888300000000, 0.0010249100000000 ] - [ 0.0000930200000000, 0.0001105400000000, -0.0003696300000000 ] - [ 0.0005319100000000, -0.0005607400000000, -0.0001648000000000 ] - [ -0.0002439500000000, 0.0001616600000000, 0.0001002500000000 ] - [ 0.0001178300000000, -0.0000410800000000, -0.0001821700000000 ] - [ 0.0009496600000000, -0.0018202000000000, -0.0012599800000000 ] - [ 0.0006935700000000, -0.0013405600000000, 0.0009292400000000 ] - [ -0.0008071000000000, 0.0041993800000000, 0.0007148400000000 ] - [ 0.0004240000000000, -0.0007718500000000, 0.0001809800000000 ] - [ 0.0000437900000000, -0.0008869500000000, -0.0003502000000000 ] - [ 0.0001037400000000, -0.0015879400000000, 0.0000145700000000 ] - [ -0.0018217000000000, 0.0007595700000000, -0.0006790500000000 ] - [ -0.0000630100000000, -0.0011991600000000, -0.0001416400000000 ] - [ -0.0003232900000000, -0.0016501900000000, 0.0023258300000000 ] - [ 0.0003492000000000, -0.0011541800000000, -0.0000865300000000 ] - [ 0.0003746700000000, -0.0000603300000000, -0.0006375500000000 ] - [ 0.0002437300000000, 0.0001761800000000, 0.0003233900000000 ] - [ 0.0002659000000000, 0.0024970800000000, -0.0002109200000000 ] - [ -0.0004416500000000, -0.0008082400000000, 0.0001787100000000 ] - [ -0.1337284400000000, -0.2210842700000000, -0.0525624700000000 ] - [ -0.0000687400000000, 0.0010407000000000, -0.0002674200000000 ] - [ 0.0001746800000000, -0.0026340700000000, -0.0022612700000000 ] - [ -0.0003107200000000, 0.0004629500000000, 0.0002175600000000 ] - [ 0.0000840600000000, -0.0011792600000000, -0.0010666700000000 ] - [ -0.0000059300000000, 0.0004894000000000, -0.0004302000000000 ] - [ -0.0009501400000000, 0.0005337300000000, 0.0002807900000000 ] - [ -0.0014991400000000, 0.0008119200000000, -0.0020839900000000 ] - [ 0.0007074900000000, 0.0001250600000000, 0.0002707300000000 ] - [ 0.0016978400000000, 0.0016590800000000, -0.0038196800000000 ] - [ 0.0022652900000000, 0.0058953900000000, 0.0017637700000000 ] - [ -0.0005251800000000, 0.0017222000000000, -0.0003948300000000 ] - [ 0.0201153500000000, 0.0080859200000000, -0.0170495500000000 ] - [ 0.0001980200000000, 0.0017940300000000, 0.0020494800000000 ] - [ -0.0006082700000000, -0.0039123500000000, -0.0016468000000000 ] - [ -0.0000925300000000, 0.0010675400000000, 0.0008576700000000 ] - [ 0.0017103600000000, -0.0049768300000000, 0.0016078500000000 ] - [ 0.0001234400000000, 0.0011630300000000, -0.0002213400000000 ] - [ 0.0000438700000000, 0.0008234800000000, -0.0005494400000000 ] - [ 0.0008326400000000, 0.0000655000000000, 0.0006625900000000 ] - [ -0.0005214500000000, -0.0026617300000000, -0.0020554000000000 ] - [ 0.0002339600000000, 0.0005172100000000, 0.0002525400000000 ] - [ -0.0029563600000000, 0.0001043500000000, -0.0027206600000000 ] - [ -0.0000109100000000, 0.0015041300000000, 0.0011412800000000 ] - [ -0.0001621700000000, 0.0000876400000000, -0.0003049300000000 ] - [ -0.0000699100000000, 0.0011858300000000, -0.0008959000000000 ] - [ -0.0020887600000000, -0.0017311300000000, -0.0006833600000000 ] - [ -0.0005230700000000, 0.0014432100000000, -0.0004599200000000 ] - [ 0.0001858900000000, 0.0000958200000000, -0.0002274800000000 ] - [ -0.0000656800000000, 0.0009441100000000, -0.0005856500000000 ] - [ -0.0035125700000000, -0.0003813100000000, 0.0153895500000000 ] - [ 0.0004230800000000, 0.0013595300000000, -0.0003690800000000 ] - [ -0.0003677200000000, 0.0003881000000000, 0.0048902500000000 ] - [ 0.0004820000000000, 0.0020509800000000, -0.0002271600000000 ] - [ -0.0000035000000000, 0.0006837700000000, -0.0001898400000000 ] - [ -0.0011269900000000, 0.0005141900000000, 0.0020770700000000 ] - [ -0.0001465500000000, 0.0020515200000000, -0.0016848400000000 ] - [ -0.0006433300000000, 0.0012374700000000, 0.0008969600000000 ] - [ 0.0005803300000000, -0.0007552200000000, 0.0009914700000000 ] - [ -0.0004415200000000, 0.0022259600000000, -0.0002012000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0063456000000000, -0.0110121100000000, -0.0030725000000000 ] - [ 0.0000297000000000, 0.0017512000000000, 0.0002309100000000 ] - [ -0.0000195600000000, -0.0000165800000000, -0.0010532700000000 ] - [ -0.0000495200000000, 0.0013295100000000, 0.0003123000000000 ] - [ 0.0002047400000000, -0.0011759400000000, 0.0006673600000000 ] - [ 0.0000447800000000, 0.0009387400000000, 0.0000719800000000 ] - [ -0.0007623500000000, -0.0023983000000000, -0.0000572700000000 ] - [ 0.0002432100000000, 0.0021094200000000, 0.0010845500000000 ] - [ -0.0001921700000000, 0.0032137200000000, -0.0019972700000000 ] - [ -0.0060618900000000, 0.0024970100000000, 0.0004485000000000 ] - [ -0.0030367400000000, -0.0030741100000000, -0.0120424700000000 ] - [ -0.0002558800000000, 0.0008703200000000, 0.0015567500000000 ] - [ 0.0005130100000000, 0.0004024300000000, -0.0008958800000000 ] - [ 0.0001580800000000, 0.0009945900000000, -0.0001293000000000 ] - [ 0.0009894000000000, 0.0003787500000000, 0.0001225800000000 ] - [ -0.0000562300000000, 0.0002612300000000, -0.0005427800000000 ] - [ -0.1077129000000000, -0.1249477500000000, 0.0434931900000000 ] - [ 0.0004034800000000, 0.0006476800000000, -0.0004914100000000 ] - [ -0.0011767300000000, -0.0022195700000000, 0.0006547800000000 ] - [ 0.0013644300000000, 0.0001519000000000, -0.0005126700000000 ] - [ -0.0047464400000000, -0.0714516000000000, -0.0863126800000000 ] - [ 0.0001852300000000, 0.0007073800000000, 0.0007260200000000 ] - [ -0.0003470000000000, -0.0006734900000000, -0.0002625200000000 ] - [ -0.0002042300000000, 0.0007827800000000, 0.0007440900000000 ] - [ 0.0002594600000000, -0.0003661600000000, 0.0005846800000000 ] - [ 0.0003188300000000, 0.0002102300000000, -0.0010076000000000 ] - [ 0.0001109100000000, -0.0007776900000000, 0.0004135500000000 ] - [ 0.0004626700000000, 0.0009646700000000, 0.0001201900000000 ] - [ -0.0000131700000000, 0.0004850700000000, -0.0004100100000000 ] - [ -0.0000035600000000, 0.0008152600000000, 0.0007780300000000 ] - [ 0.0001548900000000, 0.0001614500000000, -0.0002089100000000 ] - [ 0.0003435300000000, 0.0002965600000000, 0.0000874800000000 ] - [ -0.0002859500000000, -0.0003086000000000, 0.0006567900000000 ] - [ -0.0003639900000000, 0.0000765800000000, -0.0005397000000000 ] - [ -0.0001973000000000, 0.0003000800000000, -0.0000952600000000 ] - [ -0.0008077000000000, 0.0002719300000000, -0.0000637700000000 ] - [ -0.0006653600000000, 0.0006560800000000, -0.0010662200000000 ] - [ -0.0002992200000000, 0.0010344600000000, -0.0001214200000000 ] - [ 0.0028240800000000, -0.0033354000000000, 0.0026580200000000 ] - [ -0.0003646600000000, 0.0007283100000000, -0.0004202500000000 ] - [ 0.0001118900000000, -0.0001016200000000, 0.0008914300000000 ] - [ 0.0000015800000000, 0.0010021100000000, 0.0001329000000000 ] - [ 0.0005382300000000, -0.0003637800000000, -0.0004201000000000 ] - [ 0.0001009200000000, 0.0003042100000000, -0.0006249800000000 ] - [ -0.0001199200000000, 0.0001492600000000, -0.0002217900000000 ] - [ -0.0004729000000000, 0.0003444600000000, 0.0000553600000000 ] - [ -0.0009400300000000, 0.0010046600000000, 0.0024061600000000 ] - [ -0.0007103300000000, 0.0005348700000000, 0.0002118700000000 ] - [ 0.0010830700000000, -0.0033070600000000, -0.0006785900000000 ] - [ -0.0001395000000000, 0.0016179700000000, -0.0001415600000000 ] - [ -0.0003247300000000, 0.0000304900000000, 0.0003885900000000 ] - [ -0.0003841400000000, 0.0007292100000000, 0.0000206100000000 ] - [ 0.0003325800000000, -0.0017691100000000, 0.0000032000000000 ] - [ -0.0014183200000000, 0.0001807200000000, -0.0005317700000000 ] - [ 0.0003219300000000, 0.0002932000000000, -0.0013828900000000 ] - [ -0.0003571400000000, -0.0001882400000000, 0.0010357300000000 ] - [ 0.0002595800000000, 0.0003158600000000, -0.0001562700000000 ] - [ 0.0003971200000000, 0.0000859200000000, -0.0011283200000000 ] - [ -0.0005471900000000, -0.0016289300000000, 0.0002474300000000 ] - [ 0.0001570800000000, 0.0016553800000000, -0.0001393300000000 ] - [ 0.1405159400000000, 0.2206316800000000, 0.0505709000000000 ] - [ -0.0000288200000000, -0.0017354600000000, 0.0000245000000000 ] - [ -0.0007612200000000, 0.0012193300000000, 0.0021539100000000 ] - [ -0.0002764700000000, -0.0018479000000000, -0.0003078200000000 ] - [ -0.0000827900000000, 0.0005715900000000, 0.0002275100000000 ] - [ 0.0000059300000000, -0.0010812700000000, -0.0004088200000000 ] - [ -0.0004586800000000, -0.0005064900000000, -0.0008332100000000 ] - [ 0.0000767300000000, -0.0007835400000000, 0.0015182400000000 ] - [ 0.0006981000000000, -0.0001028400000000, -0.0008210100000000 ] - [ -0.0002768100000000, -0.0016330600000000, 0.0032421700000000 ] - [ -0.0022164400000000, -0.0052124100000000, -0.0025781600000000 ] - [ 0.0005384300000000, -0.0011332500000000, -0.0004457400000000 ] - [ -0.0201010100000000, -0.0081750500000000, 0.0183043000000000 ] - [ -0.0001962500000000, -0.0019725800000000, -0.0007034900000000 ] - [ 0.0006035400000000, 0.0028587200000000, 0.0019740700000000 ] - [ 0.0000910100000000, -0.0020932400000000, -0.0005187800000000 ] - [ -0.0016163000000000, 0.0042579500000000, -0.0018449900000000 ] - [ -0.0000264000000000, -0.0018553500000000, -0.0000207300000000 ] - [ -0.0000433700000000, -0.0008158100000000, 0.0009532500000000 ] - [ -0.0008125900000000, -0.0000525100000000, -0.0002496000000000 ] - [ 0.0011039600000000, 0.0012526800000000, 0.0019547000000000 ] - [ 0.0003498000000000, -0.0019019700000000, -0.0003408400000000 ] - [ 0.0029857400000000, -0.0001153100000000, 0.0031669700000000 ] - [ 0.0000101000000000, -0.0014991300000000, -0.0007260100000000 ] - [ 0.0000668700000000, 0.0006076600000000, 0.0000633500000000 ] - [ -0.0000289700000000, -0.0004776300000000, 0.0006530100000000 ] - [ 0.0006676700000000, 0.0017021800000000, 0.0001223300000000 ] - [ -0.0008817700000000, -0.0014569300000000, -0.0000995300000000 ] - [ -0.0000914600000000, 0.0005983300000000, -0.0000117100000000 ] - [ 0.0001612100000000, -0.0002408400000000, 0.0003466100000000 ] - [ 0.0048665400000000, 0.0005105400000000, -0.0157706600000000 ] - [ 0.0009796100000000, -0.0013738300000000, -0.0001872300000000 ] - [ 0.0009574400000000, 0.0010246900000000, -0.0049125000000000 ] - [ 0.0001032600000000, -0.0006502700000000, 0.0001422400000000 ] - [ 0.0000030500000000, -0.0004987700000000, 0.0015287300000000 ] - [ 0.0011054100000000, -0.0003181600000000, -0.0007112100000000 ] - [ 0.0001433700000000, -0.0010115100000000, 0.0020069200000000 ] - [ 0.0006373000000000, -0.0001809600000000, -0.0005789000000000 ] - [ -0.0011612000000000, 0.0021434800000000, -0.0010750200000000 ] - [ -0.0001424900000000, -0.0008224000000000, 0.0001159700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0066139300000000, 0.0005399600000000, 0.0179471000000000 ] - [ 0.0000032200000000, -0.0000485900000000, 0.0009736400000000 ] - [ -0.0007588800000000, 0.0011743600000000, -0.0015028000000000 ] - [ -0.0000475600000000, -0.0008713500000000, -0.0008093200000000 ] - [ -0.0004906900000000, 0.0006756300000000, -0.0027164400000000 ] - [ -0.0000049300000000, -0.0000971100000000, -0.0005902100000000 ] - [ -0.0004708500000000, 0.0005724500000000, 0.0041710400000000 ] - [ -0.0001500000000000, 0.0008179400000000, 0.0021745900000000 ] - [ 0.0000408900000000, 0.0016380900000000, -0.0016023000000000 ] - [ 0.0176825700000000, -0.0098134300000000, -0.0030327500000000 ] - [ -0.0003465300000000, 0.0008068000000000, -0.0109095500000000 ] - [ 0.0007822100000000, -0.0014848300000000, 0.0009823100000000 ] - [ 0.0007258800000000, 0.0007895300000000, -0.0003133200000000 ] - [ 0.0020727300000000, -0.0004687100000000, -0.0007884000000000 ] - [ -0.0057618400000000, -0.0024128700000000, -0.0019601500000000 ] - [ -0.0003236400000000, -0.0000062000000000, -0.0004157000000000 ] - [ -0.0777847800000000, -0.0652333300000000, 0.0833206900000000 ] - [ -0.0002181200000000, -0.0001861100000000, 0.0000275400000000 ] - [ 0.0023019700000000, 0.0001157600000000, -0.0023729200000000 ] - [ 0.0008988400000000, -0.0003398500000000, -0.0004347900000000 ] - [ -0.0252257400000000, 0.1050397400000000, 0.2484685000000000 ] - [ 0.0001765300000000, 0.0003804700000000, 0.0008524000000000 ] - [ 0.0005674100000000, 0.0009159400000000, 0.0029744700000000 ] - [ -0.0001831100000000, 0.0003816700000000, 0.0008305200000000 ] - [ 0.0003597300000000, -0.0002531500000000, -0.0000764700000000 ] - [ 0.0005198400000000, 0.0006432700000000, -0.0022512900000000 ] - [ -0.0000291800000000, -0.0013068300000000, 0.0000240200000000 ] - [ 0.0004847400000000, 0.0010419800000000, 0.0001380200000000 ] - [ 0.0000617400000000, 0.0003279400000000, -0.0020467700000000 ] - [ 0.0000032100000000, 0.0005993100000000, -0.0000733800000000 ] - [ -0.0000706700000000, -0.0000004800000000, -0.0003916800000000 ] - [ -0.0012074400000000, -0.0011603000000000, -0.0013675500000000 ] - [ -0.0003418500000000, -0.0003780800000000, -0.0004167500000000 ] - [ -0.0005400300000000, 0.0005316800000000, -0.0019773300000000 ] - [ -0.0002842100000000, 0.0000328100000000, -0.0003606000000000 ] - [ -0.0024459600000000, 0.0002229600000000, -0.0007450700000000 ] - [ 0.0005456600000000, 0.0017710600000000, -0.0002719000000000 ] - [ -0.0017508100000000, -0.0006169100000000, -0.0006271900000000 ] - [ 0.0025946700000000, -0.0028637100000000, 0.0026636300000000 ] - [ 0.0002640300000000, -0.0001843700000000, 0.0000510200000000 ] - [ -0.0003270100000000, 0.0013892700000000, -0.0006796900000000 ] - [ 0.0000023100000000, 0.0005510600000000, 0.0003594300000000 ] - [ 0.0005085300000000, -0.0002447500000000, -0.0004462500000000 ] - [ 0.0002933100000000, -0.0000999200000000, -0.0003953600000000 ] - [ 0.0000465300000000, -0.0000505500000000, -0.0003250100000000 ] - [ 0.0018505100000000, -0.0015172100000000, -0.0013476800000000 ] - [ -0.0002401700000000, -0.0004213700000000, 0.0007320100000000 ] - [ -0.0001292200000000, 0.0015613100000000, 0.0020788600000000 ] - [ -0.0011256800000000, 0.0049802900000000, -0.0019232700000000 ] - [ 0.0001850500000000, 0.0001300000000000, 0.0000545700000000 ] - [ 0.0005997000000000, -0.0036567600000000, 0.0004922200000000 ] - [ -0.0004573400000000, 0.0009278100000000, 0.0001393300000000 ] - [ -0.0000043200000000, -0.0010308000000000, -0.0003347400000000 ] - [ -0.0008898600000000, -0.0003205000000000, -0.0004279000000000 ] - [ 0.0004140400000000, 0.0000482600000000, 0.0016394200000000 ] - [ 0.0000300800000000, -0.0011822900000000, 0.0029728500000000 ] - [ 0.0000591100000000, -0.0001108500000000, -0.0002899700000000 ] - [ 0.0010398800000000, 0.0014227200000000, -0.0017548600000000 ] - [ 0.0001817100000000, 0.0017730200000000, -0.0003246200000000 ] - [ -0.0001725400000000, 0.0001694000000000, 0.0000406100000000 ] - [ 0.1119165300000000, -0.0461247000000000, -0.4052107200000000 ] - [ 0.0000199000000000, -0.0004916500000000, -0.0005536200000000 ] - [ 0.0005862600000000, -0.0048747500000000, 0.0014701200000000 ] - [ 0.0004676200000000, 0.0002255200000000, -0.0002535900000000 ] - [ 0.0002935900000000, -0.0007375900000000, 0.0022051500000000 ] - [ -0.0000065700000000, -0.0002001400000000, 0.0001603200000000 ] - [ -0.0014831700000000, 0.0018938200000000, -0.0000493800000000 ] - [ -0.0002142300000000, -0.0019318900000000, 0.0021858800000000 ] - [ 0.0007298600000000, 0.0005801800000000, -0.0002372500000000 ] - [ 0.0003755800000000, -0.0023479300000000, 0.0033679300000000 ] - [ 0.0006758400000000, 0.0007496400000000, -0.0029466800000000 ] - [ -0.0000072900000000, -0.0007049200000000, -0.0027975900000000 ] - [ -0.0189463600000000, -0.0138919000000000, 0.0080581400000000 ] - [ -0.0001925100000000, -0.0004389200000000, -0.0004521700000000 ] - [ -0.0010712100000000, -0.0001781000000000, 0.0028729800000000 ] - [ -0.0001580500000000, -0.0003473500000000, 0.0002935000000000 ] - [ -0.0015151900000000, 0.0013691900000000, -0.0045907600000000 ] - [ -0.0000099300000000, -0.0004455000000000, -0.0005779300000000 ] - [ 0.0001070900000000, -0.0003306300000000, 0.0004510900000000 ] - [ 0.0030205000000000, 0.0015492700000000, 0.0021891300000000 ] - [ 0.0001560000000000, -0.0018124400000000, -0.0001520300000000 ] - [ -0.0006944900000000, 0.0002206000000000, -0.0000983800000000 ] - [ 0.0059094400000000, -0.0044547800000000, 0.0042490200000000 ] - [ 0.0001314700000000, 0.0000896400000000, -0.0000471500000000 ] - [ -0.0000292500000000, 0.0005340400000000, 0.0005137200000000 ] - [ -0.0012988900000000, 0.0011256900000000, 0.0026383600000000 ] - [ -0.0040039100000000, -0.0005421600000000, -0.0013068000000000 ] - [ -0.0007723000000000, -0.0001763300000000, -0.0003764900000000 ] - [ 0.0001005500000000, 0.0004594900000000, 0.0010580500000000 ] - [ 0.0008003100000000, 0.0008165800000000, 0.0022590300000000 ] - [ -0.0103904900000000, 0.0196532000000000, 0.0408379700000000 ] - [ 0.0007344800000000, -0.0001161300000000, -0.0003948500000000 ] - [ 0.0008219400000000, 0.0069180700000000, 0.0101966800000000 ] - [ 0.0004844000000000, -0.0002781500000000, 0.0000838300000000 ] - [ -0.0000054600000000, 0.0000829600000000, 0.0013548400000000 ] - [ -0.0037103500000000, 0.0030935300000000, 0.0065660100000000 ] - [ -0.0005684200000000, -0.0006977800000000, -0.0001673800000000 ] - [ -0.0018081400000000, 0.0046703400000000, -0.0011910100000000 ] - [ -0.0000478900000000, 0.0018229700000000, 0.0005160400000000 ] - [ -0.0005248600000000, -0.0003422600000000, 0.0000712400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0060613500000000, -0.0012497300000000, -0.0169991500000000 ] - [ -0.0000031400000000, -0.0008597000000000, -0.0002949100000000 ] - [ 0.0007696300000000, -0.0002716100000000, 0.0021896400000000 ] - [ 0.0000499400000000, 0.0017744500000000, 0.0014902400000000 ] - [ 0.0004827200000000, -0.0007282400000000, 0.0032225000000000 ] - [ 0.0000037500000000, 0.0000345400000000, 0.0011051500000000 ] - [ 0.0005131600000000, -0.0005621800000000, -0.0036755100000000 ] - [ 0.0001504100000000, -0.0007657200000000, -0.0016677700000000 ] - [ -0.0000416000000000, -0.0003510600000000, 0.0004904400000000 ] - [ -0.0175948000000000, 0.0110910100000000, 0.0019249400000000 ] - [ 0.0003977400000000, -0.0020886300000000, 0.0099471800000000 ] - [ -0.0007756100000000, 0.0001675900000000, -0.0020965600000000 ] - [ 0.0007513800000000, 0.0002260600000000, -0.0003597800000000 ] - [ -0.0005878400000000, 0.0014843600000000, 0.0001140800000000 ] - [ 0.0051164600000000, 0.0021524000000000, 0.0011684500000000 ] - [ -0.0003077500000000, -0.0002492600000000, -0.0003767300000000 ] - [ 0.0751593300000000, 0.0629134600000000, -0.0843102300000000 ] - [ -0.0001451600000000, -0.0001240600000000, -0.0001498300000000 ] - [ -0.0007950600000000, -0.0011222500000000, 0.0016734400000000 ] - [ 0.0005832500000000, -0.0006778000000000, -0.0002386700000000 ] - [ 0.0293630100000000, -0.1146287400000000, -0.2667320900000000 ] - [ 0.0003637500000000, 0.0001399300000000, -0.0001274400000000 ] - [ -0.0011209500000000, -0.0003883600000000, -0.0022485900000000 ] - [ -0.0003576500000000, 0.0001387300000000, -0.0001064400000000 ] - [ 0.0001797800000000, -0.0002686800000000, 0.0008060300000000 ] - [ 0.0000204900000000, -0.0011670400000000, 0.0029889500000000 ] - [ 0.0003124800000000, 0.0004538600000000, 0.0000135000000000 ] - [ -0.0002053900000000, -0.0019032900000000, -0.0001017700000000 ] - [ -0.0000617500000000, 0.0010227100000000, 0.0029852600000000 ] - [ -0.0000032400000000, 0.0007499800000000, 0.0010061800000000 ] - [ 0.0004310700000000, 0.0003077500000000, 0.0002688000000000 ] - [ 0.0015687800000000, 0.0014695100000000, 0.0012437600000000 ] - [ -0.0001967400000000, -0.0001453800000000, 0.0011456600000000 ] - [ -0.0000001100000000, -0.0010536100000000, 0.0027083500000000 ] - [ -0.0003464800000000, 0.0002209700000000, -0.0004305100000000 ] - [ 0.0017886400000000, 0.0000321100000000, -0.0000508900000000 ] - [ -0.0020385800000000, -0.0007702500000000, -0.0003921100000000 ] - [ 0.0002668100000000, 0.0016331400000000, -0.0000470500000000 ] - [ -0.0022593500000000, 0.0025812800000000, -0.0028081000000000 ] - [ 0.0001001900000000, -0.0001262500000000, -0.0001725800000000 ] - [ 0.0003262000000000, -0.0005691800000000, 0.0018325600000000 ] - [ -0.0000024000000000, 0.0002651400000000, 0.0007956300000000 ] - [ 0.0001195800000000, -0.0000054500000000, -0.0003417700000000 ] - [ 0.0003386800000000, -0.0001546000000000, -0.0003974900000000 ] - [ -0.0004092100000000, 0.0003593400000000, 0.0002019800000000 ] - [ -0.0022117400000000, 0.0018264100000000, 0.0012236900000000 ] - [ 0.0002355000000000, -0.0003968600000000, 0.0004302700000000 ] - [ 0.0001279900000000, -0.0023687800000000, -0.0009176500000000 ] - [ 0.0013971600000000, -0.0040898400000000, 0.0019862200000000 ] - [ 0.0000989100000000, 0.0007189500000000, -0.0000160600000000 ] - [ -0.0008806200000000, 0.0027916300000000, -0.0004446400000000 ] - [ 0.0001766100000000, -0.0017856500000000, -0.0001022200000000 ] - [ -0.0014837000000000, 0.0000204900000000, -0.0003410300000000 ] - [ -0.0005906900000000, -0.0006982200000000, -0.0002450200000000 ] - [ -0.0004217900000000, -0.0014123400000000, -0.0007191900000000 ] - [ -0.0000299200000000, -0.0001664000000000, -0.0020427600000000 ] - [ 0.0005695900000000, 0.0003639500000000, -0.0005003800000000 ] - [ -0.0004000300000000, -0.0011489000000000, 0.0009481400000000 ] - [ -0.0004644500000000, -0.0009154000000000, 0.0003650600000000 ] - [ -0.0001114000000000, 0.0006803200000000, -0.0000022500000000 ] - [ -0.1141601900000000, 0.0573737200000000, 0.4248480300000000 ] - [ -0.0001180300000000, -0.0002025400000000, 0.0003115600000000 ] - [ -0.0011712100000000, 0.0034886200000000, -0.0016067000000000 ] - [ -0.0010531300000000, -0.0016165900000000, 0.0001669800000000 ] - [ -0.0002935500000000, 0.0001307100000000, -0.0030507000000000 ] - [ 0.0000065800000000, -0.0004000200000000, -0.0010018200000000 ] - [ 0.0000738200000000, -0.0018589900000000, -0.0005080000000000 ] - [ -0.0012089000000000, 0.0019557500000000, -0.0027568400000000 ] - [ 0.0006724000000000, -0.0005572200000000, -0.0003177000000000 ] - [ 0.0010582700000000, 0.0023776300000000, -0.0039581700000000 ] - [ -0.0006885800000000, -0.0001754900000000, 0.0021090900000000 ] - [ 0.0000078900000000, 0.0013026600000000, 0.0019546300000000 ] - [ 0.0190555800000000, 0.0137906400000000, -0.0069511400000000 ] - [ 0.0001909500000000, 0.0002617900000000, 0.0017922100000000 ] - [ 0.0010608300000000, -0.0008819300000000, -0.0025551800000000 ] - [ 0.0001563000000000, -0.0006770200000000, 0.0000431700000000 ] - [ 0.0016186600000000, -0.0020853400000000, 0.0043732900000000 ] - [ 0.0001066600000000, -0.0002473800000000, 0.0003373500000000 ] - [ -0.0001088500000000, 0.0003407300000000, -0.0000420400000000 ] - [ -0.0030129200000000, -0.0015441900000000, -0.0017842500000000 ] - [ 0.0004288500000000, 0.0004193600000000, 0.0000698700000000 ] - [ 0.0012792000000000, -0.0016108800000000, 0.0000135500000000 ] - [ -0.0058245000000000, 0.0043868500000000, -0.0037862800000000 ] - [ -0.0001305000000000, -0.0000909300000000, 0.0004507600000000 ] - [ -0.0000670300000000, 0.0001658100000000, -0.0007583200000000 ] - [ 0.0012025700000000, -0.0004245500000000, -0.0028868400000000 ] - [ 0.0025972700000000, 0.0005116800000000, 0.0007451800000000 ] - [ -0.0006267300000000, 0.0001641700000000, -0.0001776500000000 ] - [ -0.0000044300000000, 0.0002418500000000, -0.0013028900000000 ] - [ -0.0007051300000000, -0.0001174800000000, -0.0025024300000000 ] - [ 0.0117559500000000, -0.0197989600000000, -0.0416623200000000 ] - [ 0.0006654600000000, 0.0001039800000000, -0.0001579100000000 ] - [ -0.0002191300000000, -0.0054270300000000, -0.0101146900000000 ] - [ 0.0000991400000000, 0.0016778100000000, -0.0001708000000000 ] - [ 0.0000063600000000, 0.0001044000000000, -0.0000161100000000 ] - [ 0.0037035300000000, -0.0029111000000000, -0.0052320800000000 ] - [ 0.0005764200000000, 0.0017474900000000, 0.0005011500000000 ] - [ 0.0018065200000000, -0.0036393800000000, 0.0015294900000000 ] - [ -0.0005326800000000, -0.0004302700000000, -0.0006046400000000 ] - [ -0.0000582400000000, 0.0017450700000000, -0.0001597700000000 ]- atom: 63 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003038200000000, 0.0000046100000000, 0.0001076900000000 ] - [ 0.0000534400000000, -0.0005247800000000, -0.0000262000000000 ] - [ 0.0153898600000000, -0.0009264300000000, 0.0118285900000000 ] - [ -0.0000562100000000, 0.0000192700000000, 0.0007410600000000 ] - [ -0.0004228100000000, -0.0000217500000000, 0.0012204300000000 ] - [ 0.0000123200000000, -0.0003596400000000, 0.0006580400000000 ] - [ 0.0005315800000000, 0.0010485500000000, 0.0017301300000000 ] - [ -0.0000078000000000, -0.0002306500000000, -0.0000947800000000 ] - [ 0.0036359200000000, -0.0128086600000000, 0.0088091100000000 ] - [ -0.0056556800000000, 0.0019903200000000, 0.0006800900000000 ] - [ -0.0000094200000000, -0.0018213300000000, -0.0007678800000000 ] - [ 0.0001350200000000, -0.0001269800000000, 0.0005310600000000 ] - [ -0.0054128200000000, 0.0070426900000000, 0.0026007200000000 ] - [ 0.0007115800000000, 0.0004455500000000, -0.0003131600000000 ] - [ 0.0014956300000000, -0.0006600800000000, 0.0005594300000000 ] - [ 0.0013986000000000, 0.0010424400000000, 0.0002030400000000 ] - [ 0.0001268900000000, -0.0003560600000000, -0.0000599500000000 ] - [ 0.0003898400000000, 0.0002730200000000, -0.0004455200000000 ] - [ 0.0010025300000000, -0.0004306600000000, -0.0002993900000000 ] - [ 0.0009145200000000, -0.0003781200000000, -0.0003771500000000 ] - [ 0.0009059800000000, -0.0001207100000000, -0.0011677200000000 ] - [ 0.0004830300000000, -0.0000794900000000, -0.0004658800000000 ] - [ -0.0005937400000000, 0.0000497900000000, -0.0001024100000000 ] - [ -0.0005054400000000, -0.0002341500000000, -0.0008368000000000 ] - [ 0.0003685000000000, -0.0002453600000000, 0.0002951700000000 ] - [ 0.0001969900000000, -0.0003983000000000, 0.0005641200000000 ] - [ -0.0000078800000000, -0.0003500500000000, 0.0001427900000000 ] - [ 0.0000849700000000, -0.0006423200000000, -0.0000249300000000 ] - [ 0.0005853100000000, 0.0011136400000000, -0.0013562600000000 ] - [ 0.0000068900000000, 0.0006742500000000, 0.0006932900000000 ] - [ 0.0014991000000000, 0.0004899800000000, 0.0009821700000000 ] - [ 0.0003719400000000, 0.0001715900000000, 0.0000745600000000 ] - [ -0.0005904300000000, -0.0001674900000000, 0.0006286100000000 ] - [ -0.0002007000000000, -0.0003950400000000, 0.0005567800000000 ] - [ -0.0006205900000000, 0.0002543700000000, -0.0005007200000000 ] - [ -0.0003586400000000, 0.0000995200000000, -0.0003903400000000 ] - [ 0.2033492600000000, 0.0858490800000000, 0.0645732900000000 ] - [ -0.0007610100000000, 0.0005595400000000, -0.0003471500000000 ] - [ 0.0002837100000000, -0.0005257400000000, 0.0000978000000000 ] - [ -0.0004490400000000, 0.0003233900000000, -0.0004725000000000 ] - [ -0.0003400500000000, -0.0012762800000000, 0.0007314600000000 ] - [ -0.0000007000000000, 0.0010274900000000, 0.0001722100000000 ] - [ -0.0001312400000000, -0.0005563600000000, -0.0002256200000000 ] - [ -0.0019391900000000, 0.0006157200000000, 0.0006027100000000 ] - [ -0.0014896700000000, 0.0009876800000000, 0.0007990600000000 ] - [ -0.0004381200000000, 0.0001998500000000, 0.0000552900000000 ] - [ 0.0000196900000000, -0.0006725200000000, 0.0002633500000000 ] - [ -0.0000250900000000, -0.0006080900000000, 0.0004339600000000 ] - [ 0.0641034400000000, -0.0598571500000000, 0.0169467600000000 ] - [ 0.0003654100000000, -0.0004199900000000, 0.0002218000000000 ] - [ -0.0000054600000000, -0.0003501900000000, 0.0001063000000000 ] - [ -0.0000846200000000, -0.0006394400000000, -0.0000280800000000 ] - [ -0.0009674300000000, -0.0004608600000000, -0.0002577100000000 ] - [ -0.0009153700000000, -0.0003753600000000, -0.0003827000000000 ] - [ 0.0001893500000000, 0.0005603300000000, -0.0041161500000000 ] - [ -0.0000229000000000, -0.0006660300000000, 0.0001536100000000 ] - [ 0.0005823900000000, 0.0002293100000000, -0.0004879400000000 ] - [ 0.0003474200000000, 0.0001091800000000, -0.0004123000000000 ] - [ -0.0012610300000000, -0.0015013300000000, 0.0001733000000000 ] - [ -0.0005379500000000, -0.0011563100000000, 0.0004004600000000 ] - [ -0.0010985100000000, 0.0001145700000000, 0.0007442900000000 ] - [ -0.0005205000000000, -0.0003633900000000, 0.0006393700000000 ] - [ -0.3260518400000000, -0.0374702400000000, -0.1154523000000000 ] - [ -0.0004997300000000, -0.0000394300000000, -0.0001414000000000 ] - [ 0.0011750600000000, 0.0021261100000000, 0.0049932400000000 ] - [ 0.0000157500000000, -0.0007330700000000, -0.0004494300000000 ] - [ -0.0009096700000000, -0.0001499400000000, -0.0004973100000000 ] - [ -0.0009008000000000, 0.0003844600000000, -0.0003742800000000 ] - [ 0.0008582800000000, -0.0002492300000000, -0.0003532400000000 ] - [ 0.0009013000000000, 0.0003777500000000, -0.0003630900000000 ] - [ 0.0001284900000000, -0.0005115900000000, 0.0023955700000000 ] - [ 0.0000203100000000, 0.0004425900000000, -0.0001131900000000 ] - [ -0.0001769900000000, 0.0004041200000000, 0.0008626700000000 ] - [ -0.0000799300000000, -0.0016554600000000, 0.0001311300000000 ] - [ -0.0000481700000000, 0.0000547900000000, 0.0013498600000000 ] - [ -0.0000100400000000, -0.0009373200000000, -0.0002158200000000 ] - [ 0.0009236200000000, 0.0004617300000000, 0.0000150200000000 ] - [ 0.0005512700000000, -0.0002880800000000, 0.0008650800000000 ] - [ 0.0012591500000000, -0.0042717600000000, -0.0000361100000000 ] - [ -0.0007785600000000, 0.0010951600000000, -0.0007774600000000 ] - [ 0.0162390800000000, -0.0048545800000000, -0.0025837900000000 ] - [ 0.0007787100000000, 0.0005363200000000, -0.0002748200000000 ] - [ 0.0000483400000000, 0.0001607100000000, 0.0001991300000000 ] - [ 0.0000132600000000, -0.0000100500000000, 0.0005368600000000 ] - [ 0.0013056000000000, -0.0005211600000000, 0.0001169200000000 ] - [ 0.0002555900000000, 0.0005004200000000, -0.0003529400000000 ] - [ 0.0010141100000000, 0.0012457300000000, -0.0001108400000000 ] - [ 0.0028115400000000, 0.0047061500000000, -0.0012908500000000 ] - [ -0.0019079300000000, -0.0003175200000000, -0.0006401800000000 ] - [ -0.0001976100000000, 0.0005379900000000, -0.0003111500000000 ] - [ -0.0003419200000000, -0.0128378700000000, 0.0013994600000000 ] - [ -0.0019599600000000, 0.0019993400000000, -0.0005823600000000 ] - [ -0.0001930200000000, 0.0006666300000000, -0.0002837600000000 ] - [ 0.0000916400000000, 0.0007752400000000, -0.0000419600000000 ] - [ -0.0000755900000000, 0.0007968800000000, -0.0027057500000000 ] - [ 0.0005113000000000, 0.0000373800000000, 0.0000703900000000 ] - [ 0.0303265600000000, 0.0311222700000000, 0.0085393900000000 ] - [ 0.0009181100000000, 0.0003238500000000, 0.0002552300000000 ] - [ 0.0002745100000000, 0.0007223700000000, -0.0005150800000000 ] - [ -0.0000970900000000, 0.0007806200000000, -0.0000254800000000 ]- atom: 63 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003103300000000, -0.0009071600000000, 0.0005812900000000 ] - [ -0.0000525600000000, -0.0003856500000000, 0.0007094400000000 ] - [ -0.0159476800000000, 0.0022032400000000, -0.0119581100000000 ] - [ 0.0000587400000000, 0.0008803500000000, -0.0000690800000000 ] - [ 0.0004223900000000, -0.0000269400000000, -0.0006897600000000 ] - [ -0.0000119500000000, 0.0002968700000000, -0.0001445600000000 ] - [ -0.0005435100000000, -0.0009802400000000, -0.0012090000000000 ] - [ 0.0000083800000000, 0.0002863100000000, 0.0006123300000000 ] - [ -0.0036890100000000, 0.0142201600000000, -0.0100086200000000 ] - [ 0.0057984100000000, -0.0006954000000000, -0.0018702300000000 ] - [ 0.0000103200000000, 0.0005231100000000, -0.0003391000000000 ] - [ -0.0001338100000000, -0.0011918800000000, -0.0016454700000000 ] - [ 0.0069054500000000, -0.0060799300000000, -0.0033078000000000 ] - [ 0.0007855600000000, 0.0005629800000000, -0.0003665700000000 ] - [ -0.0021628500000000, 0.0003955200000000, -0.0013652000000000 ] - [ -0.0020391100000000, -0.0013292600000000, -0.0009994300000000 ] - [ -0.0004966700000000, 0.0000449000000000, -0.0000596700000000 ] - [ -0.0007544500000000, -0.0005852300000000, 0.0003241300000000 ] - [ 0.0004820700000000, -0.0005841100000000, -0.0003741300000000 ] - [ 0.0005669000000000, -0.0006403400000000, -0.0002959300000000 ] - [ -0.0003685600000000, 0.0006538400000000, 0.0019307600000000 ] - [ 0.0000572600000000, 0.0005984700000000, 0.0011897900000000 ] - [ 0.0000576200000000, 0.0004761400000000, 0.0008330600000000 ] - [ -0.0000335200000000, 0.0007550900000000, 0.0015650600000000 ] - [ 0.0001710100000000, -0.0002775100000000, 0.0004381000000000 ] - [ 0.0003438200000000, -0.0001217400000000, 0.0001611500000000 ] - [ 0.0002925100000000, -0.0005034100000000, -0.0001048600000000 ] - [ 0.0001989400000000, -0.0002102800000000, 0.0000635000000000 ] - [ -0.0005839700000000, 0.0002320700000000, 0.0022902600000000 ] - [ -0.0000062700000000, 0.0006746100000000, 0.0002391500000000 ] - [ -0.0011450200000000, -0.0001926300000000, -0.0010965500000000 ] - [ -0.0000128600000000, 0.0001347600000000, -0.0002019700000000 ] - [ 0.0000483400000000, -0.0003592900000000, 0.0001030400000000 ] - [ -0.0003389200000000, -0.0001246900000000, 0.0001676900000000 ] - [ -0.0000082700000000, -0.0000011900000000, -0.0002892900000000 ] - [ -0.0002732900000000, 0.0001564000000000, -0.0004009200000000 ] - [ -0.1937751200000000, -0.0755776000000000, -0.0596952300000000 ] - [ -0.0007302200000000, 0.0004478400000000, -0.0003301200000000 ] - [ 0.0000794000000000, 0.0002178300000000, -0.0002202000000000 ] - [ 0.0008170100000000, -0.0006366100000000, 0.0003525700000000 ] - [ 0.0003390300000000, 0.0021058500000000, 0.0004225000000000 ] - [ 0.0000010700000000, -0.0002255600000000, 0.0009923500000000 ] - [ 0.0007667000000000, 0.0003058700000000, -0.0005666300000000 ] - [ 0.0025937600000000, -0.0008759600000000, -0.0014073900000000 ] - [ 0.0011321600000000, -0.0006838700000000, -0.0009239100000000 ] - [ 0.0000828800000000, 0.0001050600000000, -0.0001826600000000 ] - [ -0.0000194300000000, -0.0001391400000000, 0.0008947100000000 ] - [ 0.0000262900000000, -0.0002045400000000, 0.0007240400000000 ] - [ -0.0648997700000000, 0.0610618200000000, -0.0164821700000000 ] - [ -0.0000799900000000, 0.0012653900000000, -0.0001835300000000 ] - [ -0.0002778700000000, -0.0005030100000000, -0.0000682300000000 ] - [ -0.0001978700000000, -0.0002136100000000, 0.0000665700000000 ] - [ -0.0005164100000000, -0.0005538600000000, -0.0004163300000000 ] - [ -0.0005643800000000, -0.0006434700000000, -0.0002902300000000 ] - [ -0.0001928000000000, -0.0019153300000000, 0.0050720400000000 ] - [ 0.0000240400000000, -0.0006856600000000, 0.0007889000000000 ] - [ 0.0000478500000000, 0.0000241900000000, -0.0003019900000000 ] - [ 0.0002861200000000, 0.0001467300000000, -0.0003783000000000 ] - [ 0.0009830200000000, 0.0023800900000000, -0.0001409200000000 ] - [ 0.0002566900000000, 0.0020087700000000, -0.0003641800000000 ] - [ 0.0010125400000000, -0.0008178900000000, -0.0010136600000000 ] - [ 0.0004262500000000, -0.0003271500000000, -0.0008804500000000 ] - [ 0.3164543300000000, 0.0256769300000000, 0.1102177600000000 ] - [ -0.0000800000000000, -0.0013460500000000, 0.0000561500000000 ] - [ -0.0011680300000000, -0.0027469800000000, -0.0058674300000000 ] - [ -0.0000149800000000, 0.0001459500000000, -0.0003952500000000 ] - [ -0.0004924000000000, 0.0001754000000000, -0.0000623500000000 ] - [ -0.0005006400000000, -0.0003652700000000, -0.0001825800000000 ] - [ 0.0005457700000000, 0.0002748100000000, -0.0002050100000000 ] - [ 0.0005018000000000, -0.0003590300000000, -0.0001919600000000 ] - [ -0.0001259100000000, 0.0011124000000000, -0.0032521500000000 ] - [ -0.0000197900000000, 0.0001594000000000, -0.0007365500000000 ] - [ 0.0001809400000000, -0.0005883400000000, 0.0004764100000000 ] - [ 0.0000798300000000, 0.0014797300000000, 0.0012100000000000 ] - [ 0.0000491300000000, -0.0010950800000000, -0.0010221100000000 ] - [ 0.0000110100000000, -0.0000913600000000, 0.0005502300000000 ] - [ -0.0008309600000000, -0.0011607900000000, -0.0002583600000000 ] - [ -0.0004569500000000, -0.0004040100000000, -0.0011085500000000 ] - [ -0.0012946200000000, 0.0043385000000000, 0.0004380000000000 ] - [ 0.0007956000000000, -0.0010908000000000, 0.0011996000000000 ] - [ -0.0159332800000000, 0.0034966600000000, 0.0025174800000000 ] - [ -0.0002043700000000, -0.0019256600000000, 0.0001937600000000 ] - [ -0.0000487900000000, -0.0001731600000000, 0.0002088500000000 ] - [ -0.0000124100000000, 0.0000044400000000, -0.0001313800000000 ] - [ -0.0014077400000000, 0.0012196900000000, -0.0003663900000000 ] - [ -0.0003549500000000, 0.0001991500000000, 0.0001164600000000 ] - [ -0.0024472600000000, -0.0012932000000000, -0.0004420400000000 ] - [ -0.0042241600000000, -0.0047391500000000, 0.0007488600000000 ] - [ 0.0020118300000000, 0.0010065100000000, 0.0004024000000000 ] - [ 0.0002958600000000, 0.0001596900000000, 0.0000754200000000 ] - [ 0.0015294100000000, 0.0130613600000000, -0.0019829800000000 ] - [ 0.0033820500000000, -0.0020146100000000, 0.0000349900000000 ] - [ 0.0007768800000000, 0.0007272700000000, 0.0001912400000000 ] - [ 0.0004948800000000, 0.0006215400000000, -0.0000459800000000 ] - [ 0.0000833200000000, -0.0006082000000000, 0.0040702300000000 ] - [ -0.0005247800000000, 0.0001486700000000, 0.0013026100000000 ] - [ -0.0302927400000000, -0.0300059000000000, -0.0080803400000000 ] - [ -0.0009471100000000, 0.0007476900000000, 0.0000824100000000 ] - [ -0.0008583000000000, 0.0006719800000000, 0.0004224900000000 ] - [ -0.0004891500000000, 0.0006156900000000, -0.0000640300000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007407100000000, 0.0014929700000000, 0.0007003600000000 ] - [ -0.0000101700000000, -0.0018512300000000, 0.0002462200000000 ] - [ -0.0031263100000000, 0.0150071600000000, -0.0038589600000000 ] - [ -0.0000476700000000, -0.0024412300000000, -0.0003537500000000 ] - [ 0.0000587300000000, 0.0022126400000000, -0.0007511900000000 ] - [ -0.0000127900000000, -0.0015877900000000, 0.0005853000000000 ] - [ -0.0001224500000000, 0.0043511600000000, 0.0004118900000000 ] - [ -0.0001302600000000, -0.0014807900000000, 0.0005914600000000 ] - [ -0.0003267800000000, -0.0111065700000000, 0.0053032200000000 ] - [ 0.0179555300000000, -0.0065448500000000, -0.0087989900000000 ] - [ -0.0000060500000000, -0.0007544600000000, -0.0002341900000000 ] - [ 0.0003896900000000, -0.0014779100000000, -0.0008884900000000 ] - [ -0.0031737100000000, 0.0052857900000000, 0.0019756600000000 ] - [ 0.0033838100000000, -0.0013818900000000, -0.0013838200000000 ] - [ -0.0046989300000000, -0.0023518100000000, -0.0023101100000000 ] - [ -0.0012077300000000, -0.0028366800000000, -0.0008290000000000 ] - [ -0.0010316100000000, -0.0004632700000000, 0.0004368200000000 ] - [ -0.0002032600000000, -0.0003271100000000, -0.0000702600000000 ] - [ 0.0011462500000000, -0.0000236800000000, -0.0004546200000000 ] - [ 0.0004040500000000, -0.0008737200000000, -0.0002520800000000 ] - [ -0.0001633300000000, 0.0019628900000000, 0.0064445400000000 ] - [ 0.0005463400000000, -0.0006346500000000, -0.0012951300000000 ] - [ 0.0001399400000000, 0.0011549800000000, 0.0025026300000000 ] - [ -0.0005568200000000, -0.0006512800000000, -0.0012933700000000 ] - [ 0.0003016100000000, -0.0002607300000000, 0.0007110500000000 ] - [ 0.0002646100000000, -0.0002675400000000, 0.0000046600000000 ] - [ 0.0002890500000000, 0.0001868200000000, -0.0000678300000000 ] - [ 0.0000214200000000, -0.0010243700000000, -0.0000209400000000 ] - [ 0.0006458500000000, 0.0009679800000000, -0.0011854200000000 ] - [ 0.0000171300000000, 0.0006949700000000, 0.0008219600000000 ] - [ -0.0002349600000000, -0.0000801300000000, 0.0016395600000000 ] - [ -0.0008697300000000, -0.0009753800000000, -0.0010948700000000 ] - [ 0.0004752400000000, -0.0007887200000000, 0.0016864400000000 ] - [ -0.0002644100000000, -0.0002703900000000, 0.0000066900000000 ] - [ -0.0003394800000000, 0.0000839200000000, -0.0004537400000000 ] - [ -0.0002720200000000, 0.0001395400000000, -0.0004047900000000 ] - [ 0.1123685700000000, 0.1069546400000000, 0.0344203800000000 ] - [ -0.0026255600000000, -0.0014760900000000, -0.0010248600000000 ] - [ -0.0000613100000000, 0.0001439400000000, -0.0001216500000000 ] - [ 0.0002193200000000, -0.0003447900000000, -0.0000703900000000 ] - [ -0.0007292100000000, 0.0001726100000000, -0.0005736000000000 ] - [ -0.0000696200000000, -0.0016742500000000, 0.0024053100000000 ] - [ 0.0002180400000000, -0.0004518700000000, -0.0003537500000000 ] - [ 0.0018960300000000, -0.0000928900000000, -0.0015581100000000 ] - [ -0.0010958000000000, 0.0010295200000000, 0.0008580600000000 ] - [ 0.0011697900000000, -0.0011063000000000, -0.0010216500000000 ] - [ -0.0000079400000000, -0.0008392900000000, 0.0001969800000000 ] - [ 0.0000755600000000, -0.0003176700000000, 0.0007860100000000 ] - [ -0.0831866100000000, 0.2754618500000000, -0.0214209600000000 ] - [ 0.0007873500000000, -0.0025312700000000, 0.0004283600000000 ] - [ -0.0003156500000000, 0.0003345800000000, 0.0000445800000000 ] - [ -0.0000214200000000, -0.0010266600000000, -0.0000171700000000 ] - [ -0.0011776300000000, -0.0000251200000000, -0.0005577400000000 ] - [ -0.0003919100000000, -0.0008716700000000, -0.0002487600000000 ] - [ 0.0003716600000000, 0.0006233400000000, -0.0034222700000000 ] - [ 0.0000790900000000, -0.0012643000000000, 0.0023413800000000 ] - [ 0.0002240300000000, 0.0000407800000000, -0.0004062800000000 ] - [ 0.0003197300000000, 0.0001121500000000, -0.0003410200000000 ] - [ -0.0002798300000000, 0.0036391900000000, -0.0004093200000000 ] - [ -0.0007738400000000, -0.0027053900000000, 0.0004390500000000 ] - [ 0.0010631200000000, -0.0022770900000000, -0.0042989500000000 ] - [ -0.0004294700000000, 0.0008068300000000, 0.0008001600000000 ] - [ -0.0384881500000000, -0.4519062000000000, -0.0061560100000000 ] - [ 0.0003616500000000, 0.0025981700000000, 0.0001373100000000 ] - [ 0.0019389700000000, -0.0005267000000000, 0.0048052000000000 ] - [ 0.0000057000000000, 0.0017335200000000, -0.0015095000000000 ] - [ -0.0009007600000000, 0.0002042200000000, -0.0012169700000000 ] - [ -0.0007764200000000, 0.0002949900000000, -0.0001287400000000 ] - [ 0.0006016600000000, -0.0001145500000000, -0.0003700300000000 ] - [ 0.0007857200000000, 0.0003136800000000, -0.0001645000000000 ] - [ -0.0003295300000000, -0.0008913200000000, 0.0021387800000000 ] - [ -0.0000709300000000, 0.0010325300000000, -0.0016685600000000 ] - [ 0.0004780300000000, 0.0001254000000000, 0.0004111300000000 ] - [ -0.0000610100000000, 0.0002085000000000, 0.0006207900000000 ] - [ -0.0000214200000000, -0.0008166900000000, 0.0011634200000000 ] - [ -0.0000512000000000, 0.0000749000000000, 0.0000036700000000 ] - [ -0.0010128000000000, -0.0023046800000000, -0.0012348000000000 ] - [ 0.0004401500000000, 0.0008598500000000, 0.0007928400000000 ] - [ -0.0048829600000000, 0.0071752700000000, -0.0014441200000000 ] - [ 0.0024253600000000, 0.0020868300000000, 0.0018298400000000 ] - [ 0.0044872800000000, -0.0083540900000000, -0.0015342900000000 ] - [ -0.0009414300000000, 0.0028944800000000, 0.0004092000000000 ] - [ -0.0001624000000000, -0.0001733900000000, 0.0000042100000000 ] - [ 0.0000705200000000, 0.0004329000000000, 0.0004368100000000 ] - [ -0.0002022800000000, -0.0011012600000000, -0.0012454100000000 ] - [ -0.0005332400000000, 0.0018704000000000, 0.0009238200000000 ] - [ -0.0042896800000000, -0.0016857200000000, -0.0008529600000000 ] - [ 0.0003201700000000, 0.0048645600000000, 0.0001233400000000 ] - [ -0.0000471400000000, 0.0000257700000000, -0.0062980500000000 ] - [ 0.0003118600000000, 0.0016966800000000, 0.0008582800000000 ] - [ -0.0202726400000000, 0.0423487700000000, -0.0066466800000000 ] - [ 0.0001735700000000, 0.0038693600000000, 0.0002590600000000 ] - [ 0.0002628500000000, -0.0004029300000000, 0.0001756700000000 ] - [ 0.0003697600000000, 0.0014620500000000, -0.0001694100000000 ] - [ 0.0007233300000000, 0.0012930300000000, -0.0020423700000000 ] - [ -0.0019358900000000, 0.0018046000000000, 0.0046636900000000 ] - [ 0.0282024100000000, 0.0147354800000000, 0.0077467900000000 ] - [ -0.0038938200000000, 0.0076530500000000, -0.0001402800000000 ] - [ -0.0003180800000000, -0.0002451900000000, 0.0005534600000000 ] - [ -0.0003751500000000, 0.0014642600000000, -0.0001752800000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007412900000000, -0.0024060000000000, -0.0000199700000000 ] - [ 0.0000099600000000, 0.0009472800000000, 0.0004367000000000 ] - [ 0.0031718300000000, -0.0142790100000000, 0.0045449900000000 ] - [ 0.0000502300000000, 0.0033527100000000, 0.0010297100000000 ] - [ -0.0000635200000000, -0.0022762100000000, 0.0012745100000000 ] - [ 0.0000124100000000, 0.0015310000000000, -0.0000714200000000 ] - [ 0.0001611300000000, -0.0043170800000000, 0.0000618400000000 ] - [ 0.0001312700000000, 0.0015426800000000, -0.0000764900000000 ] - [ 0.0002677200000000, 0.0125273700000000, -0.0065116200000000 ] - [ -0.0178537800000000, 0.0078417300000000, 0.0076300300000000 ] - [ 0.0000070100000000, -0.0005440200000000, -0.0008791100000000 ] - [ -0.0003880300000000, 0.0001679100000000, -0.0002217200000000 ] - [ 0.0046869500000000, -0.0042826000000000, -0.0026601400000000 ] - [ -0.0018954400000000, 0.0023951000000000, 0.0007077700000000 ] - [ 0.0040414200000000, 0.0021077900000000, 0.0015046200000000 ] - [ 0.0005647100000000, 0.0025470400000000, 0.0000323000000000 ] - [ 0.0006690200000000, 0.0001550400000000, -0.0005612800000000 ] - [ -0.0001600000000000, 0.0000166200000000, -0.0000525300000000 ] - [ 0.0003347700000000, -0.0009948600000000, -0.0002180100000000 ] - [ 0.0010782900000000, -0.0001433500000000, -0.0004210800000000 ] - [ 0.0006925900000000, -0.0014249200000000, -0.0057073500000000 ] - [ -0.0000074800000000, 0.0011555100000000, 0.0020223600000000 ] - [ -0.0006768300000000, -0.0006332700000000, -0.0017747300000000 ] - [ 0.0000182100000000, 0.0011751500000000, 0.0020268800000000 ] - [ 0.0002389300000000, -0.0002614200000000, 0.0000171500000000 ] - [ 0.0002757200000000, -0.0002525500000000, 0.0007218400000000 ] - [ -0.0000063100000000, -0.0010425300000000, 0.0001066400000000 ] - [ 0.0002625100000000, 0.0001741700000000, 0.0000597900000000 ] - [ -0.0006558300000000, 0.0003789700000000, 0.0021330400000000 ] - [ -0.0000170600000000, 0.0006546800000000, 0.0001120200000000 ] - [ 0.0005850200000000, 0.0003833000000000, -0.0017530500000000 ] - [ 0.0012307600000000, 0.0012854800000000, 0.0009715300000000 ] - [ -0.0010164400000000, 0.0002602000000000, -0.0009628200000000 ] - [ -0.0002756800000000, -0.0002499100000000, 0.0007205400000000 ] - [ -0.0002919500000000, 0.0001702500000000, -0.0003371300000000 ] - [ -0.0003604000000000, 0.0001155900000000, -0.0003867600000000 ] - [ -0.1085754800000000, -0.1054653400000000, -0.0333194500000000 ] - [ 0.0011383400000000, 0.0024889800000000, 0.0003493600000000 ] - [ 0.0004254400000000, -0.0004525500000000, -0.0000020700000000 ] - [ 0.0001454200000000, 0.0000342500000000, -0.0000512700000000 ] - [ 0.0007431200000000, 0.0006693800000000, 0.0017432500000000 ] - [ 0.0000684800000000, 0.0024768300000000, -0.0012399100000000 ] - [ 0.0004258300000000, 0.0002029600000000, -0.0004413500000000 ] - [ -0.0012417500000000, -0.0001611700000000, 0.0007502500000000 ] - [ 0.0007372700000000, -0.0007216200000000, -0.0009836400000000 ] - [ -0.0015307600000000, 0.0014160400000000, 0.0008982900000000 ] - [ 0.0000076700000000, 0.0000269600000000, 0.0009611200000000 ] - [ -0.0000754000000000, -0.0004965300000000, 0.0003701000000000 ] - [ 0.0918163900000000, -0.2973237300000000, 0.0240117900000000 ] - [ -0.0005041200000000, 0.0033851900000000, -0.0003911400000000 ] - [ 0.0000333100000000, -0.0011910600000000, -0.0000059100000000 ] - [ -0.0002623500000000, 0.0001763500000000, 0.0000559700000000 ] - [ -0.0003026200000000, -0.0009939700000000, -0.0001145000000000 ] - [ -0.0010901200000000, -0.0001456300000000, -0.0004243400000000 ] - [ -0.0003766900000000, -0.0019827000000000, 0.0043827600000000 ] - [ -0.0000789000000000, -0.0000857300000000, -0.0014039700000000 ] - [ 0.0004072800000000, 0.0002135900000000, -0.0003844500000000 ] - [ 0.0003127100000000, 0.0001431900000000, -0.0004504200000000 ] - [ 0.0000203600000000, -0.0028009000000000, 0.0004477700000000 ] - [ 0.0004931900000000, 0.0035670100000000, -0.0004039400000000 ] - [ -0.0011489100000000, 0.0015751700000000, 0.0040639200000000 ] - [ 0.0003360700000000, -0.0015031700000000, -0.0010409800000000 ] - [ 0.0241852500000000, 0.4732693800000000, 0.0017990700000000 ] - [ -0.0009461900000000, -0.0039938400000000, -0.0002233200000000 ] - [ -0.0019712000000000, -0.0000761300000000, -0.0057274200000000 ] - [ -0.0000051900000000, -0.0023229400000000, 0.0006633700000000 ] - [ -0.0005038800000000, -0.0001804100000000, 0.0006587000000000 ] - [ -0.0006262100000000, -0.0002763200000000, -0.0004282000000000 ] - [ 0.0008027900000000, 0.0001374700000000, -0.0001852400000000 ] - [ 0.0006170200000000, -0.0002958300000000, -0.0003905500000000 ] - [ 0.0003328100000000, 0.0014966000000000, -0.0029962600000000 ] - [ 0.0000712800000000, -0.0004328900000000, 0.0008249500000000 ] - [ -0.0004790300000000, -0.0003116500000000, 0.0009323600000000 ] - [ 0.0000595200000000, -0.0003927100000000, 0.0007206500000000 ] - [ 0.0000223200000000, -0.0002223700000000, -0.0008433700000000 ] - [ 0.0000511500000000, -0.0011091500000000, 0.0003296500000000 ] - [ 0.0011021800000000, 0.0016088900000000, 0.0009960700000000 ] - [ -0.0003471500000000, -0.0015584900000000, -0.0010377800000000 ] - [ 0.0047956600000000, -0.0070645400000000, 0.0018206700000000 ] - [ -0.0024190900000000, -0.0020995300000000, -0.0014113500000000 ] - [ -0.0038613000000000, 0.0070096300000000, 0.0014464000000000 ] - [ 0.0015207500000000, -0.0042955400000000, -0.0004924600000000 ] - [ 0.0001628000000000, 0.0001644100000000, 0.0004048600000000 ] - [ -0.0000701400000000, -0.0004387200000000, -0.0000309000000000 ] - [ 0.0001077400000000, 0.0017981700000000, 0.0010081100000000 ] - [ 0.0004361300000000, -0.0011781400000000, -0.0011641000000000 ] - [ 0.0028726700000000, 0.0016645500000000, 0.0002968900000000 ] - [ -0.0017532400000000, -0.0049203900000000, -0.0006641800000000 ] - [ 0.0001435800000000, 0.0006628500000000, 0.0060473300000000 ] - [ -0.0002147300000000, -0.0010044600000000, -0.0010989500000000 ] - [ 0.0217171900000000, -0.0426061300000000, 0.0062206900000000 ] - [ 0.0012592000000000, -0.0038990200000000, -0.0008080500000000 ] - [ 0.0003237000000000, 0.0018011600000000, -0.0002651000000000 ] - [ 0.0002171800000000, -0.0000694300000000, 0.0000811600000000 ] - [ -0.0007140800000000, -0.0011140100000000, 0.0034086100000000 ] - [ 0.0019333700000000, -0.0016246000000000, -0.0033133700000000 ] - [ -0.0282296400000000, -0.0139044200000000, -0.0073796300000000 ] - [ 0.0038836900000000, -0.0066226200000000, 0.0004844600000000 ] - [ -0.0002693500000000, 0.0016431800000000, -0.0006455900000000 ] - [ -0.0002117500000000, -0.0000716000000000, 0.0000855100000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001962700000000, -0.0000286900000000, -0.0021205700000000 ] - [ 0.0000359500000000, -0.0006805400000000, -0.0000831700000000 ] - [ 0.0061357400000000, -0.0012102000000000, 0.0156780500000000 ] - [ -0.0000311400000000, 0.0000812500000000, 0.0006872300000000 ] - [ 0.0016590600000000, -0.0006936300000000, -0.0024293100000000 ] - [ 0.0000334600000000, 0.0000741700000000, 0.0000430600000000 ] - [ 0.0009455400000000, 0.0000874200000000, 0.0034383400000000 ] - [ -0.0000231100000000, -0.0000620800000000, 0.0004323500000000 ] - [ 0.0023724200000000, -0.0032729400000000, 0.0056913500000000 ] - [ -0.0015008100000000, -0.0001717600000000, 0.0016870100000000 ] - [ 0.0000049400000000, -0.0016327500000000, -0.0029760500000000 ] - [ -0.0010185800000000, 0.0000647900000000, -0.0041213100000000 ] - [ -0.0004672900000000, 0.0025505900000000, 0.0008867500000000 ] - [ 0.0006452800000000, 0.0005298300000000, -0.0002125100000000 ] - [ 0.0005472500000000, -0.0003681300000000, 0.0003446500000000 ] - [ 0.0004470700000000, 0.0004707500000000, 0.0003179200000000 ] - [ 0.0010850500000000, 0.0007395100000000, -0.0007490800000000 ] - [ -0.0004616300000000, -0.0004478700000000, 0.0000860300000000 ] - [ 0.0008510600000000, -0.0003157300000000, -0.0008999600000000 ] - [ 0.0007160500000000, -0.0005247600000000, -0.0004263900000000 ] - [ -0.0002328100000000, 0.0022917600000000, 0.0010641200000000 ] - [ 0.0002769000000000, 0.0002102200000000, 0.0006342300000000 ] - [ -0.0002594500000000, 0.0006884800000000, 0.0016720300000000 ] - [ -0.0002695200000000, 0.0001237000000000, 0.0004663900000000 ] - [ 0.0003385400000000, 0.0002089800000000, -0.0009126100000000 ] - [ 0.0002570100000000, -0.0003180500000000, 0.0000968200000000 ] - [ 0.0002964500000000, -0.0002514600000000, -0.0005231700000000 ] - [ 0.0001077900000000, -0.0005601600000000, -0.0000586000000000 ] - [ 0.0007451600000000, 0.0007727600000000, -0.0025049900000000 ] - [ -0.0000302600000000, 0.0007008800000000, 0.0000734000000000 ] - [ 0.0024649600000000, 0.0028954400000000, 0.0004155600000000 ] - [ 0.0002292600000000, -0.0000059800000000, -0.0000306500000000 ] - [ -0.0015543800000000, 0.0001538100000000, -0.0036124500000000 ] - [ -0.0002610200000000, -0.0003137400000000, 0.0000918000000000 ] - [ -0.0005002700000000, 0.0001811900000000, -0.0006997900000000 ] - [ -0.0004935500000000, 0.0001126400000000, -0.0006234400000000 ] - [ 0.0642691300000000, 0.0271465000000000, 0.0387476200000000 ] - [ -0.0006563100000000, 0.0005814500000000, -0.0002478800000000 ] - [ -0.0003190300000000, 0.0005937400000000, -0.0006576900000000 ] - [ 0.0003399200000000, -0.0004554800000000, 0.0000080700000000 ] - [ -0.0004706600000000, -0.0015097900000000, 0.0017043800000000 ] - [ -0.0000630700000000, 0.0008887100000000, 0.0004597600000000 ] - [ -0.0002291600000000, -0.0001277800000000, 0.0000612600000000 ] - [ -0.0010095200000000, -0.0000117700000000, 0.0004407100000000 ] - [ -0.0005496600000000, 0.0007280500000000, 0.0004783600000000 ] - [ -0.0002404300000000, 0.0000314900000000, -0.0000507800000000 ] - [ 0.0001488900000000, -0.0011827800000000, -0.0001762800000000 ] - [ -0.0000148400000000, -0.0003861400000000, 0.0003960700000000 ] - [ 0.0176281200000000, -0.0184218800000000, 0.0230622200000000 ] - [ 0.0001966100000000, 0.0002363000000000, 0.0001404900000000 ] - [ -0.0002089000000000, -0.0004739200000000, -0.0006052000000000 ] - [ -0.0001103900000000, -0.0005514700000000, -0.0000586000000000 ] - [ -0.0008947500000000, -0.0002266400000000, -0.0009114900000000 ] - [ -0.0007451100000000, -0.0005312900000000, -0.0004331500000000 ] - [ -0.0002951900000000, -0.0011193500000000, 0.0003198900000000 ] - [ 0.0000053000000000, -0.0006512200000000, 0.0005710700000000 ] - [ 0.0008103500000000, 0.0003220700000000, -0.0007948500000000 ] - [ 0.0004700700000000, 0.0001236100000000, -0.0006421500000000 ] - [ -0.0002388300000000, 0.0001988800000000, 0.0005704900000000 ] - [ -0.0002838100000000, -0.0001061500000000, 0.0002371200000000 ] - [ -0.0002270600000000, -0.0025738900000000, 0.0014228000000000 ] - [ 0.0000977600000000, -0.0000835500000000, -0.0003341000000000 ] - [ -0.1118042800000000, -0.0062895000000000, -0.0848978100000000 ] - [ -0.0003891400000000, -0.0005169300000000, -0.0003153300000000 ] - [ 0.0031931600000000, 0.0033841900000000, 0.0049308600000000 ] - [ 0.0000533900000000, -0.0006102400000000, -0.0001962700000000 ] - [ 0.0000231800000000, -0.0011773700000000, 0.0028457700000000 ] - [ -0.0007185000000000, 0.0001678800000000, 0.0003293800000000 ] - [ 0.0006642700000000, -0.0004250700000000, 0.0011011000000000 ] - [ 0.0007130200000000, 0.0001717300000000, 0.0003565400000000 ] - [ -0.0004556800000000, 0.0008195800000000, 0.0005591200000000 ] - [ 0.0000039600000000, 0.0003207400000000, -0.0003235200000000 ] - [ -0.0002346300000000, -0.0008300200000000, 0.0023787100000000 ] - [ 0.0004732400000000, 0.0014027000000000, 0.0030118400000000 ] - [ -0.0000267700000000, 0.0002108600000000, 0.0025046100000000 ] - [ 0.0001220400000000, -0.0004101700000000, 0.0010740200000000 ] - [ -0.0007223500000000, -0.0023593500000000, -0.0002356900000000 ] - [ -0.0000239900000000, -0.0000494400000000, -0.0001806600000000 ] - [ 0.0012505400000000, -0.0021014100000000, -0.0013212900000000 ] - [ -0.0001986100000000, 0.0009912200000000, -0.0010505600000000 ] - [ 0.0028440600000000, -0.0021846200000000, -0.0033597200000000 ] - [ 0.0005229800000000, -0.0002475500000000, -0.0003900500000000 ] - [ 0.0000704900000000, -0.0001050500000000, 0.0009743500000000 ] - [ -0.0001949900000000, 0.0002401900000000, 0.0009681000000000 ] - [ 0.0008320700000000, -0.0006832900000000, 0.0004417200000000 ] - [ 0.0000342400000000, 0.0005045700000000, -0.0000019600000000 ] - [ -0.0003423400000000, -0.0001060700000000, -0.0014737900000000 ] - [ 0.0004128100000000, 0.0017109700000000, -0.0015816900000000 ] - [ -0.0001843200000000, -0.0045209500000000, 0.0099787600000000 ] - [ -0.0000195300000000, 0.0005313400000000, 0.0000092900000000 ] - [ 0.0029956700000000, -0.0063154800000000, -0.0057132600000000 ] - [ -0.0000830600000000, 0.0004592300000000, -0.0012816700000000 ] - [ 0.0005322300000000, 0.0004765800000000, 0.0018381800000000 ] - [ 0.0002926900000000, 0.0008229100000000, 0.0002044100000000 ] - [ -0.0011909000000000, -0.0012957300000000, -0.0022821800000000 ] - [ 0.0002050400000000, 0.0005344900000000, -0.0006914600000000 ] - [ 0.0116402100000000, 0.0117667600000000, -0.0048313100000000 ] - [ 0.0004439200000000, 0.0002690100000000, -0.0001521400000000 ] - [ -0.0007629300000000, 0.0000982300000000, 0.0020198000000000 ] - [ -0.0002755000000000, 0.0008276500000000, 0.0002226000000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001951900000000, -0.0008746000000000, 0.0027994900000000 ] - [ -0.0000352900000000, -0.0002279000000000, 0.0007676700000000 ] - [ -0.0069693900000000, 0.0024381900000000, -0.0155608500000000 ] - [ 0.0000323900000000, 0.0008232000000000, -0.0000167400000000 ] - [ -0.0016734400000000, 0.0006424600000000, 0.0029552100000000 ] - [ -0.0000338300000000, -0.0001329000000000, 0.0004664200000000 ] - [ -0.0010242800000000, 0.0000097200000000, -0.0027279800000000 ] - [ 0.0000227800000000, 0.0001214100000000, 0.0000884500000000 ] - [ -0.0024076700000000, 0.0046859000000000, -0.0068992800000000 ] - [ 0.0016053300000000, 0.0014534400000000, -0.0028648700000000 ] - [ -0.0000046200000000, 0.0003362400000000, 0.0018635100000000 ] - [ 0.0010223600000000, -0.0013864700000000, 0.0030017000000000 ] - [ 0.0019751500000000, -0.0015536600000000, -0.0015641200000000 ] - [ 0.0008471000000000, 0.0004813700000000, -0.0004652300000000 ] - [ -0.0012056600000000, 0.0001091600000000, -0.0011518000000000 ] - [ -0.0010846100000000, -0.0007391300000000, -0.0011124000000000 ] - [ -0.0014371400000000, -0.0010474200000000, 0.0006277500000000 ] - [ 0.0000936000000000, 0.0001341000000000, -0.0002046800000000 ] - [ 0.0006323900000000, -0.0006989700000000, 0.0002257100000000 ] - [ 0.0007649700000000, -0.0004931700000000, -0.0002468500000000 ] - [ 0.0007656500000000, -0.0017363300000000, -0.0002944900000000 ] - [ 0.0002611600000000, 0.0003135700000000, 0.0001000500000000 ] - [ -0.0002793300000000, -0.0001629000000000, -0.0009302300000000 ] - [ -0.0002681500000000, 0.0004005600000000, 0.0002707700000000 ] - [ 0.0002017300000000, -0.0007304000000000, 0.0016384500000000 ] - [ 0.0002835300000000, -0.0002006600000000, 0.0006257200000000 ] - [ -0.0000127800000000, -0.0006044800000000, 0.0005584400000000 ] - [ 0.0001756800000000, -0.0002906400000000, 0.0000972600000000 ] - [ -0.0007481400000000, 0.0005737900000000, 0.0034380600000000 ] - [ 0.0000303900000000, 0.0006475300000000, 0.0008543500000000 ] - [ -0.0021148200000000, -0.0026006200000000, -0.0005481500000000 ] - [ 0.0001285700000000, 0.0003128000000000, -0.0000965600000000 ] - [ 0.0010170500000000, -0.0006631000000000, 0.0043467600000000 ] - [ -0.0002795400000000, -0.0002052300000000, 0.0006313500000000 ] - [ -0.0001283600000000, 0.0000714000000000, -0.0000905900000000 ] - [ -0.0001392200000000, 0.0001434700000000, -0.0001676900000000 ] - [ -0.0659571900000000, -0.0257968400000000, -0.0411497300000000 ] - [ -0.0008332300000000, 0.0004289500000000, -0.0004284600000000 ] - [ 0.0006816000000000, -0.0009006700000000, 0.0005353200000000 ] - [ 0.0000287100000000, 0.0001401700000000, -0.0001267200000000 ] - [ 0.0004741800000000, 0.0023393000000000, -0.0005535200000000 ] - [ 0.0000632100000000, -0.0000760200000000, 0.0006957300000000 ] - [ 0.0008646300000000, -0.0001263900000000, -0.0008551400000000 ] - [ 0.0016510300000000, -0.0002461200000000, -0.0012370600000000 ] - [ 0.0001939600000000, -0.0004249900000000, -0.0006083800000000 ] - [ -0.0001168600000000, 0.0002750200000000, -0.0000759200000000 ] - [ -0.0001470200000000, 0.0003662000000000, 0.0013323200000000 ] - [ 0.0000148600000000, -0.0004232600000000, 0.0007633100000000 ] - [ -0.0184101400000000, 0.0216139900000000, -0.0239731700000000 ] - [ 0.0000855600000000, 0.0006202900000000, -0.0001034800000000 ] - [ -0.0000749800000000, -0.0003797600000000, 0.0006431900000000 ] - [ -0.0001731600000000, -0.0002993300000000, 0.0000971600000000 ] - [ -0.0005903900000000, -0.0007872400000000, 0.0002364600000000 ] - [ -0.0007359100000000, -0.0004867300000000, -0.0002400900000000 ] - [ 0.0002887600000000, -0.0002476000000000, 0.0006537700000000 ] - [ -0.0000050000000000, -0.0006993200000000, 0.0003708200000000 ] - [ -0.0001826900000000, -0.0000693500000000, 0.0000053400000000 ] - [ 0.0001623100000000, 0.0001328100000000, -0.0001491300000000 ] - [ -0.0000431500000000, 0.0006527500000000, -0.0005351900000000 ] - [ 0.0000030800000000, 0.0009679100000000, -0.0002014700000000 ] - [ 0.0001289200000000, 0.0018418600000000, -0.0016554000000000 ] - [ -0.0001905600000000, -0.0006096600000000, 0.0000845200000000 ] - [ 0.1136889300000000, 0.0017248600000000, 0.0881526900000000 ] - [ -0.0001907100000000, -0.0008773700000000, 0.0002297500000000 ] - [ -0.0032372600000000, -0.0040198900000000, -0.0058163100000000 ] - [ -0.0000534700000000, 0.0000143300000000, -0.0006404000000000 ] - [ -0.0014272300000000, 0.0012055200000000, -0.0034101700000000 ] - [ -0.0006825400000000, -0.0001508100000000, -0.0008833100000000 ] - [ 0.0007368500000000, 0.0004505100000000, -0.0016520700000000 ] - [ 0.0006882700000000, -0.0001552800000000, -0.0009088300000000 ] - [ 0.0004514100000000, -0.0002048300000000, -0.0014236500000000 ] - [ -0.0000039000000000, 0.0002769400000000, -0.0005260800000000 ] - [ 0.0002315600000000, 0.0006410500000000, -0.0010349700000000 ] - [ -0.0004715200000000, -0.0015694200000000, -0.0016675400000000 ] - [ 0.0000272200000000, -0.0012503800000000, -0.0021745000000000 ] - [ -0.0001225200000000, -0.0006155400000000, -0.0007347300000000 ] - [ 0.0008129500000000, 0.0016513100000000, -0.0000154100000000 ] - [ 0.0001158600000000, -0.0006429300000000, -0.0000697000000000 ] - [ -0.0012624900000000, 0.0021316700000000, 0.0017283300000000 ] - [ 0.0002102000000000, -0.0009884400000000, 0.0014729800000000 ] - [ -0.0022587500000000, 0.0007955000000000, 0.0032890900000000 ] - [ 0.0000513100000000, -0.0011503800000000, 0.0003074300000000 ] - [ -0.0000697000000000, 0.0000925400000000, -0.0005667600000000 ] - [ 0.0001953200000000, -0.0002414100000000, -0.0005652800000000 ] - [ -0.0009342100000000, 0.0013858900000000, -0.0006775600000000 ] - [ -0.0001333900000000, 0.0001913400000000, -0.0002327500000000 ] - [ -0.0010789500000000, 0.0000810700000000, 0.0009148200000000 ] - [ -0.0018342800000000, -0.0017598000000000, 0.0010351200000000 ] - [ 0.0002800700000000, 0.0052837400000000, -0.0103324600000000 ] - [ 0.0001183800000000, 0.0001653800000000, -0.0002444200000000 ] - [ -0.0016986700000000, 0.0065030800000000, 0.0051124500000000 ] - [ 0.0015044400000000, -0.0004916800000000, 0.0007313300000000 ] - [ 0.0000527900000000, 0.0009184000000000, -0.0019262500000000 ] - [ 0.0002941100000000, 0.0005724900000000, -0.0002914200000000 ] - [ 0.0011957700000000, 0.0014804100000000, 0.0036565000000000 ] - [ -0.0002125500000000, -0.0003494400000000, 0.0020604200000000 ] - [ -0.0117753500000000, -0.0109095100000000, 0.0050942300000000 ] - [ -0.0004635200000000, 0.0007903100000000, 0.0004880500000000 ] - [ 0.0001780600000000, 0.0012975200000000, -0.0021074600000000 ] - [ -0.0003117700000000, 0.0005675400000000, -0.0003108300000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000206300000000, -0.0004520100000000, 0.0003421800000000 ] - [ -0.0000236500000000, -0.0004530100000000, 0.0003406200000000 ] - [ 0.0054467100000000, 0.0004685700000000, 0.0003414800000000 ] - [ 0.0003905200000000, 0.0004473400000000, 0.0003301900000000 ] - [ -0.0059368600000000, -0.0000509800000000, 0.0002719000000000 ] - [ -0.0001921400000000, -0.0000278600000000, 0.0002574100000000 ] - [ 0.0005167400000000, 0.0000297700000000, 0.0002578500000000 ] - [ 0.0000223800000000, 0.0000279600000000, 0.0002576300000000 ] - [ -0.0000665300000000, 0.0006546300000000, -0.0005597600000000 ] - [ -0.0026047000000000, 0.0006542500000000, -0.0005770800000000 ] - [ 0.0003810100000000, -0.0007009600000000, -0.0005576900000000 ] - [ 0.0004539800000000, -0.0006559800000000, -0.0005549700000000 ] - [ -0.0004862200000000, 0.0012349300000000, -0.0004211100000000 ] - [ 0.0007031000000000, 0.0005095800000000, -0.0003099700000000 ] - [ 0.0002020100000000, 0.0009066100000000, -0.0013352900000000 ] - [ -0.0002706800000000, -0.0002132300000000, -0.0004096700000000 ] - [ -0.0001021700000000, -0.0001262000000000, -0.0001095900000000 ] - [ -0.0001748000000000, -0.0001490100000000, -0.0000580200000000 ] - [ 0.0008834900000000, -0.0004095200000000, 0.0001604300000000 ] - [ 0.0007664900000000, -0.0004940400000000, -0.0003398900000000 ] - [ 0.0002972800000000, 0.0001797600000000, 0.0000213100000000 ] - [ 0.0002713600000000, 0.0002618800000000, 0.0003671000000000 ] - [ -0.0002427200000000, 0.0003396300000000, 0.0007021500000000 ] - [ -0.0002684600000000, 0.0002592500000000, 0.0003599200000000 ] - [ 0.0005504700000000, -0.0002956400000000, -0.0003789800000000 ] - [ 0.0002773800000000, -0.0005553800000000, 0.0000373900000000 ] - [ 0.0000849800000000, -0.0005548900000000, -0.0001017200000000 ] - [ 0.0001102200000000, -0.0005115400000000, 0.0000020600000000 ] - [ 0.0112452000000000, 0.0012732300000000, 0.0018505700000000 ] - [ 0.0000322300000000, 0.0006746700000000, 0.0004659200000000 ] - [ -0.0006422000000000, 0.0000382800000000, -0.0007437700000000 ] - [ -0.0004265300000000, 0.0004743100000000, -0.0002977200000000 ] - [ 0.0000085500000000, -0.0002278300000000, 0.0011060900000000 ] - [ -0.0002630200000000, 0.0000371900000000, 0.0006979200000000 ] - [ -0.0003852400000000, 0.0001519600000000, -0.0004262400000000 ] - [ -0.0004190000000000, 0.0001589100000000, -0.0004695200000000 ] - [ -0.0019624800000000, -0.0002147100000000, -0.0002552700000000 ] - [ -0.0007756500000000, 0.0005089900000000, -0.0003637300000000 ] - [ 0.0002567400000000, -0.0001810400000000, -0.0000158200000000 ] - [ 0.0001884500000000, -0.0001612900000000, -0.0000643300000000 ] - [ 0.0093548400000000, 0.0020242000000000, -0.0000323200000000 ] - [ 0.0000278200000000, 0.0004079700000000, 0.0005767200000000 ] - [ 0.0008111300000000, -0.0011419900000000, 0.0005466000000000 ] - [ 0.0003611500000000, -0.0000410900000000, -0.0003816900000000 ] - [ -0.0010071300000000, 0.0002688600000000, 0.0006221300000000 ] - [ -0.0007913300000000, -0.0001552800000000, 0.0001758600000000 ] - [ 0.0000097700000000, -0.0004063500000000, 0.0005784900000000 ] - [ -0.0000203500000000, -0.0004073800000000, 0.0005777000000000 ] - [ -0.0002266700000000, 0.0009305200000000, -0.0014328200000000 ] - [ 0.0001358100000000, 0.0004420500000000, 0.0000163800000000 ] - [ -0.0001977500000000, -0.0002999600000000, 0.0001402900000000 ] - [ -0.0001723200000000, -0.0003429300000000, 0.0000355000000000 ] - [ -0.0006230000000000, -0.0005905500000000, -0.0008336000000000 ] - [ -0.0007162500000000, -0.0005226800000000, -0.0003336200000000 ] - [ -0.0000394700000000, -0.0006742500000000, 0.0004650600000000 ] - [ -0.0000115500000000, -0.0006743100000000, 0.0004646900000000 ] - [ 0.0002460600000000, 0.0001019900000000, -0.0003643000000000 ] - [ 0.0002159900000000, 0.0000973900000000, -0.0003210500000000 ] - [ -0.0005132300000000, -0.0000846500000000, 0.0014740600000000 ] - [ -0.0001469400000000, 0.0004098000000000, 0.0000210900000000 ] - [ -0.0001261200000000, -0.0002634600000000, 0.0001745100000000 ] - [ -0.0000553900000000, -0.0003531700000000, -0.0001280700000000 ] - [ 0.0008760000000000, 0.0012594200000000, 0.0031743900000000 ] - [ -0.0002788000000000, -0.0006910600000000, 0.0000100100000000 ] - [ -0.0170077100000000, -0.0025667400000000, -0.0012681800000000 ] - [ -0.0000613400000000, -0.0003003700000000, -0.0004191300000000 ] - [ -0.0008407900000000, 0.0001371100000000, -0.0007248400000000 ] - [ -0.0009002400000000, 0.0000062100000000, -0.0006569700000000 ] - [ 0.0005627500000000, -0.0001136700000000, 0.0001681600000000 ] - [ 0.0005117900000000, 0.0000240200000000, 0.0000942300000000 ] - [ -0.0000245300000000, 0.0002987900000000, -0.0004208300000000 ] - [ 0.0000200600000000, 0.0002999100000000, -0.0004197400000000 ] - [ -0.0000010700000000, -0.0000849900000000, 0.0006786200000000 ] - [ -0.0000796000000000, -0.0000908000000000, 0.0006717800000000 ] - [ -0.0047730700000000, -0.0004837400000000, 0.0002528400000000 ] - [ -0.0000748400000000, -0.0005161500000000, 0.0001670300000000 ] - [ -0.0000285200000000, -0.0004306500000000, -0.0004131800000000 ] - [ 0.0000409200000000, -0.0003408300000000, -0.0001142400000000 ] - [ -0.0002977300000000, 0.0000020500000000, 0.0002052400000000 ] - [ -0.0041276000000000, 0.0000259300000000, 0.0001730500000000 ] - [ 0.0014677800000000, -0.0026505200000000, -0.0032553500000000 ] - [ 0.0003096300000000, -0.0007019000000000, -0.0000962300000000 ] - [ 0.0001152900000000, -0.0000056500000000, 0.0002044300000000 ] - [ 0.0000838100000000, -0.0000028100000000, 0.0002032900000000 ] - [ 0.0018123300000000, -0.0018844400000000, 0.0005625400000000 ] - [ 0.0002584200000000, 0.0008750400000000, -0.0001300700000000 ] - [ 0.0001042700000000, 0.0008221600000000, -0.0010212700000000 ] - [ -0.0006551600000000, 0.0000484200000000, -0.0002421700000000 ] - [ 0.0018990000000000, 0.0025968600000000, -0.0008021800000000 ] - [ 0.0003517800000000, -0.0001893200000000, -0.0001135200000000 ] - [ 0.0014944600000000, -0.0008437800000000, 0.0004744900000000 ] - [ 0.0007468200000000, -0.0000690500000000, -0.0003117000000000 ] - [ 0.0004113000000000, 0.0003631000000000, 0.0004039900000000 ] - [ 0.0003127200000000, 0.0006269800000000, -0.0000478300000000 ] - [ 0.0007259800000000, 0.0000915600000000, 0.0006737500000000 ] - [ 0.0017526700000000, 0.0000850000000000, 0.0006814800000000 ] - [ 0.0010449400000000, 0.0005144800000000, 0.0001684100000000 ] - [ 0.0002953900000000, 0.0005133000000000, 0.0001716700000000 ] - [ -0.0001563500000000, 0.0010256800000000, -0.0005028500000000 ] - [ -0.0002726700000000, 0.0007691000000000, -0.0000407400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0005208200000000, 0.0007162500000000 ] - [ 0.0000000000000000, -0.0012991700000000, 0.0004057900000000 ] - [ 0.0000000000000000, 0.0272802100000000, 0.0062035100000000 ] - [ 0.0000000000000000, -0.0047281200000000, -0.0012651400000000 ] - [ 0.0000000000000000, 0.0028740000000000, 0.0008080500000000 ] - [ 0.0000000000000000, -0.0014690300000000, 0.0002764800000000 ] - [ 0.0000000000000000, 0.0005318000000000, -0.0006304900000000 ] - [ 0.0000000000000000, -0.0009867200000000, 0.0010674200000000 ] - [ 0.0000000000000000, -0.0010615800000000, -0.0026278800000000 ] - [ 0.0000000000000000, 0.0000773200000000, -0.0000672700000000 ] - [ 0.0000000000000000, -0.0027397700000000, -0.0029951700000000 ] - [ 0.0000000000000000, -0.0028647100000000, 0.0002891700000000 ] - [ 0.0014870800000000, -0.0001752600000000, -0.0002970500000000 ] - [ 0.0006507700000000, 0.0001655000000000, -0.0002788500000000 ] - [ 0.0044903300000000, 0.0027295400000000, 0.0017632800000000 ] - [ -0.0009136800000000, -0.0005093500000000, -0.0007010300000000 ] - [ 0.0001470700000000, 0.0001614200000000, -0.0002321500000000 ] - [ -0.0005038400000000, -0.0005402400000000, 0.0001782000000000 ] - [ 0.0023117600000000, 0.0009728000000000, -0.0000220400000000 ] - [ 0.0002768400000000, -0.0009701800000000, -0.0002029700000000 ] - [ 0.0000949400000000, 0.0008147700000000, 0.0012719400000000 ] - [ 0.0003458200000000, -0.0000622100000000, -0.0001665600000000 ] - [ -0.0000949400000000, 0.0008147700000000, 0.0012719400000000 ] - [ -0.0003458200000000, -0.0000622100000000, -0.0001665600000000 ] - [ 0.0000138900000000, -0.0009848200000000, 0.0026083600000000 ] - [ 0.0000871400000000, -0.0004797300000000, -0.0005117100000000 ] - [ 0.0003694400000000, -0.0000204200000000, 0.0003955300000000 ] - [ -0.0000140300000000, -0.0009969000000000, -0.0000812100000000 ] - [ 0.0000000000000000, 0.0683991700000000, 0.0486765300000000 ] - [ 0.0000000000000000, 0.0004133600000000, 0.0002384800000000 ] - [ -0.0014501900000000, -0.0005376700000000, -0.0021233200000000 ] - [ 0.0008794400000000, -0.0001516400000000, -0.0001919300000000 ] - [ -0.0000138900000000, -0.0009848200000000, 0.0026083600000000 ] - [ -0.0000871400000000, -0.0004797300000000, -0.0005117100000000 ] - [ 0.0001182000000000, -0.0001445900000000, -0.0001899900000000 ] - [ -0.0007137300000000, 0.0003702700000000, -0.0005250200000000 ] - [ -0.0014870800000000, -0.0001752600000000, -0.0002970500000000 ] - [ -0.0006507700000000, 0.0001655000000000, -0.0002788500000000 ] - [ -0.0001470700000000, 0.0001614200000000, -0.0002321500000000 ] - [ 0.0005038400000000, -0.0005402400000000, 0.0001782000000000 ] - [ 0.0000000000000000, 0.2868504100000000, -0.1108240400000000 ] - [ 0.0000000000000000, -0.0005263100000000, 0.0010166600000000 ] - [ -0.0044903300000000, 0.0027295400000000, 0.0017632800000000 ] - [ 0.0009136800000000, -0.0005093500000000, -0.0007010300000000 ] - [ 0.0014501900000000, -0.0005376700000000, -0.0021233200000000 ] - [ -0.0008794400000000, -0.0001516400000000, -0.0001919300000000 ] - [ 0.0000000000000000, -0.0004846100000000, 0.0006284800000000 ] - [ 0.0000000000000000, -0.0002982800000000, 0.0006324500000000 ] - [ -0.0005680000000000, 0.0033056700000000, -0.0006857200000000 ] - [ 0.0003444300000000, -0.0011027200000000, 0.0001753600000000 ] - [ -0.0003694400000000, -0.0000204200000000, 0.0003955300000000 ] - [ 0.0000140300000000, -0.0009969000000000, -0.0000812100000000 ] - [ -0.0023117600000000, 0.0009728000000000, -0.0000220400000000 ] - [ -0.0002768400000000, -0.0009701800000000, -0.0002029700000000 ] - [ 0.0000000000000000, -0.0005784400000000, 0.0000008600000000 ] - [ 0.0000000000000000, -0.0008006700000000, 0.0009024800000000 ] - [ -0.0001182000000000, -0.0001445900000000, -0.0001899900000000 ] - [ 0.0007137300000000, 0.0003702700000000, -0.0005250200000000 ] - [ 0.0005680000000000, 0.0033056700000000, -0.0006857200000000 ] - [ -0.0003444300000000, -0.0011027200000000, 0.0001753600000000 ] - [ 0.0000324500000000, -0.0012275400000000, -0.0005482900000000 ] - [ -0.0001633900000000, 0.0004416000000000, -0.0000192400000000 ] - [ 0.0021596400000000, -0.0009154200000000, 0.0036753800000000 ] - [ -0.0007361700000000, 0.0013402900000000, -0.0003571600000000 ] - [ 0.0000000000000000, -0.4069385900000000, 0.0597668200000000 ] - [ 0.0000000000000000, 0.0010038200000000, -0.0004150900000000 ] - [ -0.0008125500000000, 0.0008696500000000, -0.0018455200000000 ] - [ -0.0009710900000000, 0.0001291000000000, 0.0004786900000000 ] - [ 0.0008125500000000, 0.0008696500000000, -0.0018455200000000 ] - [ 0.0009710900000000, 0.0001291000000000, 0.0004786900000000 ] - [ 0.0000000000000000, 0.0000747300000000, -0.0001909000000000 ] - [ 0.0000000000000000, 0.0004946700000000, -0.0007442200000000 ] - [ 0.0000000000000000, -0.0002271000000000, 0.0011834900000000 ] - [ 0.0000000000000000, 0.0006723800000000, -0.0000460900000000 ] - [ 0.0000000000000000, -0.0054624500000000, 0.0088736300000000 ] - [ 0.0000000000000000, 0.0006842500000000, 0.0002491700000000 ] - [ -0.0000324500000000, -0.0012275400000000, -0.0005482900000000 ] - [ 0.0001633900000000, 0.0004416000000000, -0.0000192400000000 ] - [ 0.0000000000000000, 0.0016183900000000, 0.0009312300000000 ] - [ 0.0000000000000000, 0.0143680500000000, -0.0178689000000000 ] - [ -0.0021596400000000, -0.0009154200000000, 0.0036753800000000 ] - [ 0.0007361700000000, 0.0013402900000000, -0.0003571600000000 ] - [ 0.0000000000000000, -0.0005664700000000, 0.0002522100000000 ] - [ 0.0000000000000000, 0.0005620200000000, -0.0000789200000000 ] - [ -0.0056894600000000, 0.0059385500000000, -0.0005888800000000 ] - [ 0.0011474200000000, 0.0017730000000000, 0.0008835700000000 ] - [ 0.0009884500000000, -0.0025213800000000, -0.0014492000000000 ] - [ -0.0003296000000000, 0.0015491400000000, 0.0004595200000000 ] - [ 0.0056894600000000, 0.0059385500000000, -0.0005888800000000 ] - [ -0.0011474200000000, 0.0017730000000000, 0.0008835700000000 ] - [ -0.0009884500000000, -0.0025213800000000, -0.0014492000000000 ] - [ 0.0003296000000000, 0.0015491400000000, 0.0004595200000000 ] - [ -0.0005286900000000, -0.0005110600000000, -0.0005557300000000 ] - [ 0.0004355100000000, 0.0014360300000000, -0.0000666100000000 ] - [ 0.0000000000000000, 0.0022752600000000, 0.0026928900000000 ] - [ 0.0000000000000000, -0.0002947200000000, 0.0007682100000000 ] - [ 0.0000000000000000, 0.0015455600000000, 0.0007792600000000 ] - [ 0.0000000000000000, 0.0007880500000000, -0.0001046500000000 ] - [ 0.0005286900000000, -0.0005110600000000, -0.0005557300000000 ] - [ -0.0004355100000000, 0.0014360300000000, -0.0000666100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0014189200000000, -0.0000463600000000 ] - [ 0.0000000000000000, 0.0003871800000000, 0.0002731300000000 ] - [ 0.0000000000000000, -0.0246756800000000, -0.0046102800000000 ] - [ 0.0000000000000000, 0.0056051600000000, 0.0019169200000000 ] - [ 0.0000000000000000, -0.0029176100000000, -0.0002767700000000 ] - [ 0.0000000000000000, 0.0014036200000000, 0.0002434600000000 ] - [ 0.0000000000000000, -0.0004688900000000, 0.0011254200000000 ] - [ 0.0000000000000000, 0.0010346200000000, -0.0005549000000000 ] - [ 0.0000000000000000, 0.0023505100000000, 0.0015026100000000 ] - [ 0.0000000000000000, 0.0012377000000000, -0.0010580100000000 ] - [ 0.0000000000000000, 0.0012588500000000, 0.0018702800000000 ] - [ 0.0000000000000000, 0.0015466700000000, -0.0014002200000000 ] - [ 0.0000051000000000, 0.0011858300000000, -0.0003785100000000 ] - [ 0.0008282300000000, 0.0008513200000000, -0.0003943600000000 ] - [ -0.0050741800000000, -0.0029422200000000, -0.0025414900000000 ] - [ 0.0002751700000000, 0.0002506900000000, -0.0000937200000000 ] - [ -0.0004973000000000, -0.0004614600000000, 0.0000994600000000 ] - [ 0.0001384000000000, 0.0002274100000000, -0.0002991400000000 ] - [ -0.0007901800000000, -0.0019558000000000, -0.0006599300000000 ] - [ 0.0012012100000000, -0.0000509500000000, -0.0004685100000000 ] - [ 0.0004448800000000, -0.0002933200000000, -0.0005515700000000 ] - [ 0.0001952300000000, 0.0005796100000000, 0.0008859300000000 ] - [ -0.0004448800000000, -0.0002933200000000, -0.0005515700000000 ] - [ -0.0001952300000000, 0.0005796100000000, 0.0008859300000000 ] - [ 0.0005252900000000, 0.0004603200000000, -0.0018656400000000 ] - [ 0.0004549000000000, -0.0000403500000000, 0.0012561800000000 ] - [ -0.0000816600000000, -0.0008189800000000, -0.0003536400000000 ] - [ 0.0002940500000000, 0.0001318900000000, 0.0001172500000000 ] - [ 0.0000000000000000, -0.0660700800000000, -0.0464779000000000 ] - [ 0.0000000000000000, 0.0009348600000000, 0.0006950400000000 ] - [ 0.0018090100000000, 0.0008505200000000, 0.0019881800000000 ] - [ -0.0005166500000000, 0.0004674600000000, 0.0000688300000000 ] - [ -0.0005252900000000, 0.0004603200000000, -0.0018656400000000 ] - [ -0.0004549000000000, -0.0000403500000000, 0.0012561800000000 ] - [ -0.0007496300000000, 0.0003992400000000, -0.0006005800000000 ] - [ 0.0000733500000000, -0.0001134800000000, -0.0002685800000000 ] - [ -0.0000051000000000, 0.0011858300000000, -0.0003785100000000 ] - [ -0.0008282300000000, 0.0008513200000000, -0.0003943600000000 ] - [ 0.0004973000000000, -0.0004614600000000, 0.0000994600000000 ] - [ -0.0001384000000000, 0.0002274100000000, -0.0002991400000000 ] - [ 0.0000000000000000, -0.3034660600000000, 0.1248795500000000 ] - [ 0.0000000000000000, 0.0013343400000000, 0.0001422600000000 ] - [ 0.0050741800000000, -0.0029422200000000, -0.0025414900000000 ] - [ -0.0002751700000000, 0.0002506900000000, -0.0000937200000000 ] - [ -0.0018090100000000, 0.0008505200000000, 0.0019881800000000 ] - [ 0.0005166500000000, 0.0004674600000000, 0.0000688300000000 ] - [ 0.0000000000000000, -0.0003297900000000, 0.0005268600000000 ] - [ 0.0000000000000000, -0.0005193700000000, 0.0005199500000000 ] - [ 0.0008280800000000, -0.0024387700000000, 0.0007053000000000 ] - [ -0.0000596000000000, 0.0019422400000000, -0.0001364500000000 ] - [ 0.0000816600000000, -0.0008189800000000, -0.0003536400000000 ] - [ -0.0002940500000000, 0.0001318900000000, 0.0001172500000000 ] - [ 0.0007901800000000, -0.0019558000000000, -0.0006599300000000 ] - [ -0.0012012100000000, -0.0000509500000000, -0.0004685100000000 ] - [ 0.0000000000000000, -0.0007689200000000, 0.0009199100000000 ] - [ 0.0000000000000000, -0.0005476600000000, 0.0000245100000000 ] - [ 0.0007496300000000, 0.0003992400000000, -0.0006005800000000 ] - [ -0.0000733500000000, -0.0001134800000000, -0.0002685800000000 ] - [ -0.0008280800000000, -0.0024387700000000, 0.0007053000000000 ] - [ 0.0000596000000000, 0.0019422400000000, -0.0001364500000000 ] - [ -0.0001304100000000, 0.0005234100000000, 0.0003200500000000 ] - [ 0.0000677200000000, -0.0011291300000000, -0.0002178600000000 ] - [ -0.0027144400000000, -0.0004642000000000, -0.0037249800000000 ] - [ 0.0001419300000000, -0.0027177000000000, 0.0002692500000000 ] - [ 0.0000000000000000, 0.4206738600000000, -0.0760745600000000 ] - [ 0.0000000000000000, -0.0015936500000000, -0.0004261800000000 ] - [ -0.0005924100000000, -0.0008469000000000, 0.0012766200000000 ] - [ -0.0004536500000000, -0.0000764000000000, -0.0010440000000000 ] - [ 0.0005924100000000, -0.0008469000000000, 0.0012766200000000 ] - [ 0.0004536500000000, -0.0000764000000000, -0.0010440000000000 ] - [ 0.0000000000000000, 0.0005185800000000, -0.0006402800000000 ] - [ 0.0000000000000000, 0.0001071200000000, -0.0000916800000000 ] - [ 0.0000000000000000, 0.0000718900000000, 0.0002156900000000 ] - [ 0.0000000000000000, -0.0008491300000000, 0.0013890200000000 ] - [ 0.0000000000000000, 0.0046116300000000, -0.0081900800000000 ] - [ 0.0000000000000000, -0.0017134200000000, 0.0000834900000000 ] - [ 0.0001304100000000, 0.0005234100000000, 0.0003200500000000 ] - [ -0.0000677200000000, -0.0011291300000000, -0.0002178600000000 ] - [ 0.0000000000000000, -0.0016011500000000, -0.0005182600000000 ] - [ 0.0000000000000000, -0.0143457100000000, 0.0182704300000000 ] - [ 0.0027144400000000, -0.0004642000000000, -0.0037249800000000 ] - [ -0.0001419300000000, -0.0027177000000000, 0.0002692500000000 ] - [ 0.0000000000000000, 0.0005569500000000, 0.0001658400000000 ] - [ 0.0000000000000000, -0.0005638300000000, 0.0004869400000000 ] - [ 0.0055195300000000, -0.0051654500000000, 0.0003349300000000 ] - [ -0.0012402800000000, -0.0010825000000000, -0.0011284200000000 ] - [ -0.0023845400000000, 0.0024748900000000, 0.0008977900000000 ] - [ -0.0010727700000000, -0.0015577200000000, -0.0010082200000000 ] - [ -0.0055195300000000, -0.0051654500000000, 0.0003349300000000 ] - [ 0.0012402800000000, -0.0010825000000000, -0.0011284200000000 ] - [ 0.0023845400000000, 0.0024748900000000, 0.0008977900000000 ] - [ 0.0010727700000000, -0.0015577200000000, -0.0010082200000000 ] - [ 0.0010951700000000, 0.0018781500000000, 0.0004686100000000 ] - [ 0.0001517600000000, -0.0000302900000000, -0.0000245100000000 ] - [ 0.0000000000000000, -0.0020775300000000, -0.0013337100000000 ] - [ 0.0000000000000000, 0.0004714400000000, 0.0005835800000000 ] - [ 0.0000000000000000, -0.0004938700000000, -0.0004350400000000 ] - [ 0.0000000000000000, 0.0002415900000000, 0.0004427900000000 ] - [ -0.0010951700000000, 0.0018781500000000, 0.0004686100000000 ] - [ -0.0001517600000000, -0.0000302900000000, -0.0000245100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002540800000000, -0.0022801800000000 ] - [ 0.0000000000000000, -0.0006384400000000, -0.0005503600000000 ] - [ 0.0000000000000000, 0.0047396600000000, 0.0160344600000000 ] - [ 0.0000000000000000, 0.0037267900000000, 0.0033472000000000 ] - [ 0.0000000000000000, -0.0001159400000000, 0.0027647000000000 ] - [ 0.0000000000000000, -0.0001148900000000, 0.0010201900000000 ] - [ 0.0000000000000000, -0.0002236600000000, -0.0025190500000000 ] - [ 0.0000000000000000, -0.0002018300000000, -0.0015174400000000 ] - [ 0.0000000000000000, -0.0014237600000000, 0.0018964300000000 ] - [ 0.0000000000000000, 0.0042021000000000, 0.0019922400000000 ] - [ 0.0000000000000000, -0.0198248500000000, -0.0063058700000000 ] - [ 0.0000000000000000, 0.0003511500000000, -0.0021302900000000 ] - [ 0.0029955200000000, -0.0013798200000000, 0.0000788600000000 ] - [ 0.0005950500000000, 0.0009129100000000, -0.0002617300000000 ] - [ -0.0038159500000000, -0.0002242100000000, -0.0030772900000000 ] - [ -0.0004265900000000, -0.0002983600000000, -0.0004118400000000 ] - [ 0.0014987800000000, 0.0010993100000000, -0.0015799600000000 ] - [ 0.0000156600000000, -0.0000027600000000, -0.0002819300000000 ] - [ 0.0053324900000000, 0.0029710500000000, -0.0017245900000000 ] - [ 0.0006019400000000, -0.0006417900000000, -0.0002751300000000 ] - [ 0.0005422400000000, -0.0002644400000000, -0.0018461100000000 ] - [ 0.0003733400000000, 0.0001061600000000, -0.0001625400000000 ] - [ -0.0005422400000000, -0.0002644400000000, -0.0018461100000000 ] - [ -0.0003733400000000, 0.0001061600000000, -0.0001625400000000 ] - [ -0.0000863000000000, 0.0002615800000000, 0.0005939500000000 ] - [ -0.0001281300000000, -0.0012334300000000, 0.0024513100000000 ] - [ 0.0004810900000000, 0.0008530100000000, -0.0000432200000000 ] - [ -0.0002893100000000, -0.0021489900000000, -0.0003346900000000 ] - [ 0.0000000000000000, 0.0776629600000000, 0.2962920800000000 ] - [ 0.0000000000000000, 0.0007592500000000, 0.0010609000000000 ] - [ 0.0009418200000000, 0.0004225400000000, 0.0010324500000000 ] - [ 0.0006993100000000, 0.0007932500000000, 0.0008059300000000 ] - [ 0.0000863000000000, 0.0002615800000000, 0.0005939500000000 ] - [ 0.0001281300000000, -0.0012334300000000, 0.0024513100000000 ] - [ -0.0005662600000000, 0.0002978900000000, -0.0005409600000000 ] - [ -0.0011483600000000, 0.0002026600000000, -0.0007490800000000 ] - [ -0.0029955200000000, -0.0013798200000000, 0.0000788600000000 ] - [ -0.0005950500000000, 0.0009129100000000, -0.0002617300000000 ] - [ -0.0014987800000000, 0.0010993100000000, -0.0015799600000000 ] - [ -0.0000156600000000, -0.0000027600000000, -0.0002819300000000 ] - [ 0.0000000000000000, -0.1533409800000000, 0.1224518400000000 ] - [ 0.0000000000000000, 0.0001185500000000, 0.0010230300000000 ] - [ 0.0038159500000000, -0.0002242100000000, -0.0030772900000000 ] - [ 0.0004265900000000, -0.0002983600000000, -0.0004118400000000 ] - [ -0.0009418200000000, 0.0004225400000000, 0.0010324500000000 ] - [ -0.0006993100000000, 0.0007932500000000, 0.0008059300000000 ] - [ 0.0000000000000000, -0.0005642600000000, 0.0001949900000000 ] - [ 0.0000000000000000, -0.0010429100000000, -0.0001764600000000 ] - [ -0.0017373200000000, 0.0011200400000000, -0.0020768500000000 ] - [ 0.0002055100000000, 0.0006812000000000, 0.0000402200000000 ] - [ -0.0004810900000000, 0.0008530100000000, -0.0000432200000000 ] - [ 0.0002893100000000, -0.0021489900000000, -0.0003346900000000 ] - [ -0.0053324900000000, 0.0029710500000000, -0.0017245900000000 ] - [ -0.0006019400000000, -0.0006417900000000, -0.0002751300000000 ] - [ 0.0000000000000000, -0.0006191800000000, -0.0007403000000000 ] - [ 0.0000000000000000, -0.0004313100000000, -0.0007814400000000 ] - [ 0.0005662600000000, 0.0002978900000000, -0.0005409600000000 ] - [ 0.0011483600000000, 0.0002026600000000, -0.0007490800000000 ] - [ 0.0017373200000000, 0.0011200400000000, -0.0020768500000000 ] - [ -0.0002055100000000, 0.0006812000000000, 0.0000402200000000 ] - [ -0.0008314300000000, -0.0010000800000000, 0.0025083300000000 ] - [ -0.0001448500000000, -0.0003583500000000, 0.0004600300000000 ] - [ 0.0051680300000000, 0.0045968700000000, 0.0053535100000000 ] - [ -0.0003209900000000, -0.0017782700000000, 0.0001779200000000 ] - [ 0.0000000000000000, 0.0736607400000000, -0.4866876600000000 ] - [ 0.0000000000000000, -0.0002946600000000, -0.0012445100000000 ] - [ -0.0005293100000000, -0.0010224700000000, -0.0000676700000000 ] - [ -0.0029483800000000, 0.0037874800000000, -0.0006403600000000 ] - [ 0.0005293100000000, -0.0010224700000000, -0.0000676700000000 ] - [ 0.0029483800000000, 0.0037874800000000, -0.0006403600000000 ] - [ 0.0000000000000000, 0.0000744800000000, 0.0010469200000000 ] - [ 0.0000000000000000, 0.0006261400000000, 0.0008922100000000 ] - [ 0.0000000000000000, 0.0026601700000000, 0.0074698200000000 ] - [ 0.0000000000000000, -0.0001069100000000, 0.0016822600000000 ] - [ 0.0000000000000000, 0.0147168300000000, 0.0423282300000000 ] - [ 0.0000000000000000, -0.0007056000000000, 0.0000008200000000 ] - [ 0.0008314300000000, -0.0010000800000000, 0.0025083300000000 ] - [ 0.0001448500000000, -0.0003583500000000, 0.0004600300000000 ] - [ 0.0000000000000000, 0.0008664900000000, -0.0002219500000000 ] - [ 0.0000000000000000, -0.0176614600000000, 0.0103984300000000 ] - [ -0.0051680300000000, 0.0045968700000000, 0.0053535100000000 ] - [ 0.0003209900000000, -0.0017782700000000, 0.0001779200000000 ] - [ 0.0000000000000000, 0.0000558700000000, 0.0012025800000000 ] - [ 0.0000000000000000, -0.0000792600000000, 0.0006135700000000 ] - [ 0.0016482200000000, -0.0018189600000000, -0.0026309100000000 ] - [ 0.0001202700000000, 0.0003235400000000, -0.0024941600000000 ] - [ -0.0031113200000000, -0.0006633800000000, 0.0013800000000000 ] - [ -0.0006712300000000, 0.0003394100000000, -0.0003330200000000 ] - [ -0.0016482200000000, -0.0018189600000000, -0.0026309100000000 ] - [ -0.0001202700000000, 0.0003235400000000, -0.0024941600000000 ] - [ 0.0031113200000000, -0.0006633800000000, 0.0013800000000000 ] - [ 0.0006712300000000, 0.0003394100000000, -0.0003330200000000 ] - [ -0.0025350600000000, -0.0018747400000000, 0.0009438200000000 ] - [ -0.0000186900000000, 0.0019460400000000, 0.0000566800000000 ] - [ 0.0000000000000000, -0.0002751200000000, -0.0010848400000000 ] - [ 0.0000000000000000, -0.0006452500000000, -0.0014977600000000 ] - [ 0.0000000000000000, 0.0033698800000000, 0.0007440800000000 ] - [ 0.0000000000000000, -0.0010364700000000, 0.0005791500000000 ] - [ 0.0025350600000000, -0.0018747400000000, 0.0009438200000000 ] - [ 0.0000186900000000, 0.0019460400000000, 0.0000566800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006453700000000, 0.0029628500000000 ] - [ 0.0000000000000000, -0.0002716100000000, 0.0012312600000000 ] - [ 0.0000000000000000, -0.0036564500000000, -0.0154588100000000 ] - [ 0.0000000000000000, -0.0028546200000000, -0.0026893700000000 ] - [ 0.0000000000000000, 0.0000586500000000, -0.0022523000000000 ] - [ 0.0000000000000000, 0.0000514800000000, -0.0005049000000000 ] - [ 0.0000000000000000, 0.0002833900000000, 0.0030252600000000 ] - [ 0.0000000000000000, 0.0002551700000000, 0.0020359200000000 ] - [ 0.0000000000000000, 0.0027133700000000, -0.0030158900000000 ] - [ 0.0000000000000000, -0.0028918200000000, -0.0031115400000000 ] - [ 0.0000000000000000, 0.0184255000000000, 0.0051833700000000 ] - [ 0.0000000000000000, -0.0016728400000000, 0.0010187100000000 ] - [ -0.0015059000000000, 0.0023944200000000, -0.0007462800000000 ] - [ 0.0008846000000000, 0.0001035300000000, -0.0004104300000000 ] - [ 0.0032261200000000, 0.0000044800000000, 0.0022989400000000 ] - [ -0.0002053500000000, 0.0000415400000000, -0.0003795800000000 ] - [ -0.0018546000000000, -0.0014030800000000, 0.0014536700000000 ] - [ -0.0003802500000000, -0.0003092200000000, 0.0001614400000000 ] - [ -0.0038298500000000, -0.0039708700000000, 0.0010595900000000 ] - [ 0.0008787200000000, -0.0003770200000000, -0.0003970900000000 ] - [ -0.0000032000000000, 0.0007874600000000, 0.0025751500000000 ] - [ 0.0001669300000000, 0.0004133600000000, 0.0008882500000000 ] - [ 0.0000032000000000, 0.0007874600000000, 0.0025751500000000 ] - [ -0.0001669300000000, 0.0004133600000000, 0.0008882500000000 ] - [ 0.0006360700000000, -0.0007981500000000, 0.0001369900000000 ] - [ 0.0006690400000000, 0.0007147200000000, -0.0017228300000000 ] - [ -0.0001957800000000, -0.0017058700000000, 0.0000860300000000 ] - [ 0.0005712600000000, 0.0012928700000000, 0.0003729700000000 ] - [ 0.0000000000000000, -0.0834127500000000, -0.3203964700000000 ] - [ 0.0000000000000000, 0.0005891700000000, -0.0001297600000000 ] - [ -0.0005856500000000, -0.0001156500000000, -0.0011574300000000 ] - [ -0.0003333600000000, -0.0004815600000000, -0.0009289400000000 ] - [ -0.0006360700000000, -0.0007981500000000, 0.0001369900000000 ] - [ -0.0006690400000000, 0.0007147200000000, -0.0017228300000000 ] - [ -0.0000635300000000, -0.0000443200000000, -0.0002495400000000 ] - [ 0.0005125400000000, 0.0000547800000000, -0.0000429700000000 ] - [ 0.0015059000000000, 0.0023944200000000, -0.0007462800000000 ] - [ -0.0008846000000000, 0.0001035300000000, -0.0004104300000000 ] - [ 0.0018546000000000, -0.0014030800000000, 0.0014536700000000 ] - [ 0.0003802500000000, -0.0003092200000000, 0.0001614400000000 ] - [ 0.0000000000000000, 0.1483178800000000, -0.1215895800000000 ] - [ 0.0000000000000000, 0.0006950900000000, 0.0001334200000000 ] - [ -0.0032261200000000, 0.0000044800000000, 0.0022989400000000 ] - [ 0.0002053500000000, 0.0000415400000000, -0.0003795800000000 ] - [ 0.0005856500000000, -0.0001156500000000, -0.0011574300000000 ] - [ 0.0003333600000000, -0.0004815600000000, -0.0009289400000000 ] - [ 0.0000000000000000, -0.0002527900000000, 0.0009603000000000 ] - [ 0.0000000000000000, 0.0002280100000000, 0.0013323200000000 ] - [ 0.0019987300000000, -0.0002546300000000, 0.0020986500000000 ] - [ 0.0000785500000000, 0.0001628500000000, -0.0000005800000000 ] - [ 0.0001957800000000, -0.0017058700000000, 0.0000860300000000 ] - [ -0.0005712600000000, 0.0012928700000000, 0.0003729700000000 ] - [ 0.0038298500000000, -0.0039708700000000, 0.0010595900000000 ] - [ -0.0008787200000000, -0.0003770200000000, -0.0003970900000000 ] - [ 0.0000000000000000, -0.0007292700000000, 0.0016692900000000 ] - [ 0.0000000000000000, -0.0009178100000000, 0.0017140900000000 ] - [ 0.0000635300000000, -0.0000443200000000, -0.0002495400000000 ] - [ -0.0005125400000000, 0.0000547800000000, -0.0000429700000000 ] - [ -0.0019987300000000, -0.0002546300000000, 0.0020986500000000 ] - [ -0.0000785500000000, 0.0001628500000000, -0.0000005800000000 ] - [ 0.0007341100000000, 0.0002973400000000, -0.0027469600000000 ] - [ 0.0000483000000000, -0.0003332200000000, -0.0007006800000000 ] - [ -0.0056950600000000, -0.0059358500000000, -0.0053930000000000 ] - [ -0.0002694100000000, 0.0003960100000000, -0.0002665900000000 ] - [ 0.0000000000000000, -0.0616154600000000, 0.5114471900000001 ] - [ 0.0000000000000000, -0.0003014400000000, 0.0004057600000000 ] - [ -0.0008719300000000, 0.0010498000000000, -0.0004910800000000 ] - [ 0.0015415400000000, -0.0037643900000000, 0.0000851500000000 ] - [ 0.0008719300000000, 0.0010498000000000, -0.0004910800000000 ] - [ -0.0015415400000000, -0.0037643900000000, 0.0000851500000000 ] - [ 0.0000000000000000, 0.0005259300000000, -0.0018846100000000 ] - [ 0.0000000000000000, -0.0000242000000000, -0.0017324200000000 ] - [ 0.0000000000000000, -0.0028357600000000, -0.0061273800000000 ] - [ 0.0000000000000000, -0.0000689400000000, -0.0003404400000000 ] - [ 0.0000000000000000, -0.0157486900000000, -0.0422578600000000 ] - [ 0.0000000000000000, -0.0003197000000000, 0.0003367600000000 ] - [ -0.0007341100000000, 0.0002973400000000, -0.0027469600000000 ] - [ -0.0000483000000000, -0.0003332200000000, -0.0007006800000000 ] - [ 0.0000000000000000, -0.0008633700000000, 0.0006270800000000 ] - [ 0.0000000000000000, 0.0176903000000000, -0.0100895800000000 ] - [ 0.0056950600000000, -0.0059358500000000, -0.0053930000000000 ] - [ 0.0002694100000000, 0.0003960100000000, -0.0002665900000000 ] - [ 0.0000000000000000, -0.0000660800000000, -0.0007928200000000 ] - [ 0.0000000000000000, 0.0000798700000000, -0.0002078800000000 ] - [ -0.0017558100000000, 0.0025228400000000, 0.0024253900000000 ] - [ -0.0002110400000000, 0.0003743800000000, 0.0022577500000000 ] - [ 0.0017207600000000, 0.0006230300000000, -0.0019336400000000 ] - [ -0.0007271500000000, -0.0003501200000000, -0.0002188600000000 ] - [ 0.0017558100000000, 0.0025228400000000, 0.0024253900000000 ] - [ 0.0002110400000000, 0.0003743800000000, 0.0022577500000000 ] - [ -0.0017207600000000, 0.0006230300000000, -0.0019336400000000 ] - [ 0.0007271500000000, -0.0003501200000000, -0.0002188600000000 ] - [ 0.0031113800000000, 0.0032599800000000, -0.0010368800000000 ] - [ 0.0006043500000000, -0.0005469300000000, -0.0001444000000000 ] - [ 0.0000000000000000, 0.0004668600000000, 0.0024341200000000 ] - [ 0.0000000000000000, 0.0008206600000000, 0.0028435100000000 ] - [ 0.0000000000000000, -0.0023213400000000, -0.0004025900000000 ] - [ 0.0000000000000000, 0.0020640100000000, -0.0002414600000000 ] - [ -0.0031113800000000, 0.0032599800000000, -0.0010368800000000 ] - [ -0.0006043500000000, -0.0005469300000000, -0.0001444000000000 ]- atom: 67 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024642900000000, 0.0009909500000000, 0.0014832600000000 ] - [ 0.0001158800000000, -0.0052821600000000, 0.0021166300000000 ] - [ 0.0018416300000000, 0.0002187900000000, 0.0002329600000000 ] - [ -0.0000123200000000, 0.0012115900000000, 0.0006035000000000 ] - [ -0.0018268600000000, 0.0006552900000000, -0.0007987900000000 ] - [ -0.0005861100000000, -0.0008708500000000, 0.0001983800000000 ] - [ 0.0003933500000000, -0.0012245500000000, -0.0004302500000000 ] - [ 0.0000503800000000, 0.0005489800000000, -0.0000220500000000 ] - [ -0.0000746300000000, -0.0004936400000000, -0.0010508200000000 ] - [ -0.0001594000000000, 0.0011251000000000, -0.0008540600000000 ] - [ 0.0004046000000000, 0.0009307100000000, -0.0003199200000000 ] - [ 0.1643887500000000, -0.0786158000000000, 0.0446256600000000 ] - [ 0.0005418700000000, 0.0005764800000000, -0.0002441400000000 ] - [ 0.0005953800000000, 0.0006358000000000, -0.0003471600000000 ] - [ -0.0002268100000000, -0.0000527100000000, -0.0003912100000000 ] - [ -0.0001746200000000, -0.0002186700000000, -0.0004809700000000 ] - [ 0.0000999800000000, 0.0000810300000000, 0.0000163000000000 ] - [ 0.0036538900000000, 0.0016138300000000, -0.0013594200000000 ] - [ 0.0046812500000000, -0.0003229500000000, -0.0016451200000000 ] - [ 0.0051711600000000, 0.0012434200000000, -0.0015349500000000 ] - [ 0.0001908500000000, 0.0003374900000000, 0.0006253000000000 ] - [ 0.0003225400000000, 0.0000674500000000, 0.0000243400000000 ] - [ -0.0003073200000000, 0.0002878200000000, 0.0003954900000000 ] - [ -0.0002781200000000, 0.0000285100000000, -0.0001780900000000 ] - [ -0.0008484600000000, -0.0023538700000000, 0.0059600700000000 ] - [ 0.0002438600000000, -0.0000560900000000, 0.0003663800000000 ] - [ -0.0020907400000000, -0.0063405400000000, -0.0012056600000000 ] - [ 0.0004304900000000, 0.0004230900000000, 0.0002143700000000 ] - [ 0.0000965100000000, 0.0005814700000000, 0.0003722300000000 ] - [ 0.0002995000000000, 0.0012680200000000, 0.0040278700000000 ] - [ -0.0011312100000000, -0.0001513900000000, -0.0018356900000000 ] - [ 0.0003589300000000, 0.0002754200000000, 0.0000427300000000 ] - [ 0.0112010400000000, 0.0027272100000000, -0.0092513800000000 ] - [ -0.0002462400000000, -0.0000691700000000, 0.0002700700000000 ] - [ -0.0136545100000000, 0.0083412900000000, -0.0090894300000000 ] - [ -0.0006328500000000, 0.0002208200000000, -0.0005261900000000 ] - [ -0.0007433000000000, 0.0004919100000000, -0.0004448300000000 ] - [ -0.0006007600000000, 0.0006355400000000, -0.0003444300000000 ] - [ 0.0001804700000000, -0.0002024200000000, -0.0000937700000000 ] - [ -0.0046764200000000, 0.0024045700000000, -0.0017267500000000 ] - [ -0.0000590400000000, 0.0005651400000000, 0.0004453600000000 ] - [ 0.0001386900000000, -0.0001360900000000, 0.0009464000000000 ] - [ 0.0002707200000000, -0.0000736600000000, -0.0004133300000000 ] - [ 0.0003131400000000, -0.0001356800000000, -0.0003535300000000 ] - [ -0.0012454900000000, 0.0006816900000000, 0.0003228000000000 ] - [ -0.0003468700000000, 0.0002705100000000, 0.0000234000000000 ] - [ -0.0010736000000000, 0.0022971900000000, 0.0034542000000000 ] - [ -0.0000054100000000, -0.0000554000000000, 0.0007819400000000 ] - [ 0.0001348500000000, 0.0005589200000000, 0.0000044800000000 ] - [ 0.0002198000000000, 0.0003140700000000, 0.0000614600000000 ] - [ 0.0045943300000000, 0.0169686300000000, 0.0032943400000000 ] - [ -0.0002998600000000, 0.0000417800000000, 0.0000827300000000 ] - [ -0.0000686700000000, -0.0011596600000000, -0.0000863300000000 ] - [ -0.0057573100000000, 0.0019764700000000, -0.0021913300000000 ] - [ 0.0001848700000000, -0.0009827400000000, 0.0015869200000000 ] - [ 0.0000001200000000, -0.0006128400000000, 0.0003399300000000 ] - [ -0.0186586900000000, -0.0128589600000000, 0.0135234900000000 ] - [ 0.0004635100000000, 0.0005842200000000, -0.0004353200000000 ] - [ -0.0001790500000000, 0.0003864500000000, -0.0000422500000000 ] - [ -0.0002155200000000, 0.0003300700000000, 0.0000573300000000 ] - [ -0.0004747700000000, -0.0005956400000000, -0.0008981400000000 ] - [ -0.0026361800000000, -0.0011344100000000, 0.0003689000000000 ] - [ -0.0004987500000000, -0.0008953700000000, 0.0006741600000000 ] - [ -0.0004915500000000, -0.0007738200000000, -0.0000624800000000 ] - [ -0.0001377900000000, -0.0004081300000000, -0.0002507100000000 ] - [ -0.0001929900000000, -0.0005617600000000, -0.0026608100000000 ] - [ -0.2186304000000000, 0.0949936100000000, -0.0486834100000000 ] - [ -0.0007784000000000, -0.0006029000000000, -0.0001995500000000 ] - [ 0.0305549500000000, -0.0027588400000000, 0.0027252400000000 ] - [ 0.0005537300000000, -0.0008750000000000, -0.0002432700000000 ] - [ 0.0007939300000000, -0.0013960600000000, -0.0028451400000000 ] - [ 0.0000453100000000, -0.0000678100000000, -0.0003927100000000 ] - [ -0.0001922500000000, -0.0004959200000000, 0.0005700200000000 ] - [ 0.0014595500000000, -0.0058557800000000, 0.0123181600000000 ] - [ -0.0020718400000000, -0.0016575600000000, 0.0005203700000000 ] - [ 0.0022135800000000, -0.0143677600000000, -0.0007870100000000 ] - [ 0.0004515900000000, -0.0003563300000000, -0.0001519900000000 ] - [ 0.0037043400000000, -0.0013338100000000, 0.0002105400000000 ] - [ -0.0004154400000000, 0.0004936400000000, 0.0001541200000000 ] - [ -0.0000190200000000, -0.0002198900000000, 0.0002617000000000 ] - [ 0.0004475500000000, -0.0005986900000000, -0.0000073500000000 ] - [ 0.0004881900000000, -0.0007841100000000, -0.0000555100000000 ] - [ 0.0005133700000000, -0.0008059300000000, 0.0001051800000000 ] - [ 0.0435622900000000, 0.0166867100000000, -0.0177811500000000 ] - [ 0.0010541000000000, 0.0017197600000000, -0.0034025900000000 ] - [ 0.0003277400000000, 0.0001727500000000, -0.0001954600000000 ] - [ -0.0006470900000000, -0.0001074300000000, -0.0002393500000000 ] - [ -0.0003618300000000, 0.0004598100000000, 0.0002062300000000 ] - [ -0.0052417500000000, -0.0037942300000000, 0.0108100900000000 ] - [ -0.0002293300000000, 0.0000741500000000, -0.0001570800000000 ] - [ 0.0007777700000000, -0.0002877600000000, -0.0004170200000000 ] - [ 0.0004280000000000, 0.0003623300000000, 0.0000090600000000 ] - [ -0.0007236700000000, -0.0202580900000000, -0.0023869200000000 ] - [ -0.0023768300000000, 0.0001617100000000, 0.0007504800000000 ] - [ 0.0010383000000000, 0.0005258000000000, 0.0011835800000000 ] - [ -0.0000089000000000, -0.0003094700000000, 0.0008007500000000 ] - [ 0.0000858200000000, 0.0009448400000000, -0.0004028600000000 ] - [ 0.0000282800000000, 0.0001550600000000, 0.0003405900000000 ] - [ 0.0014349100000000, 0.0042545400000000, 0.0003252600000000 ] - [ 0.0032276000000000, -0.0003300500000000, 0.0010829500000000 ]- atom: 67 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024908200000000, -0.0018878900000000, -0.0008194500000000 ] - [ -0.0001041600000000, 0.0043378900000000, -0.0014230800000000 ] - [ -0.0018809500000000, 0.0006808600000000, 0.0004653700000000 ] - [ 0.0000132000000000, -0.0003099800000000, 0.0000745500000000 ] - [ 0.0018523100000000, -0.0007153500000000, 0.0013084700000000 ] - [ 0.0005900100000000, 0.0008054100000000, 0.0003050700000000 ] - [ -0.0004000200000000, 0.0012878500000000, 0.0009461200000000 ] - [ -0.0000507000000000, -0.0004954000000000, 0.0005386400000000 ] - [ 0.0000755700000000, 0.0018068700000000, -0.0000455800000000 ] - [ 0.0001624300000000, 0.0001742900000000, -0.0002566700000000 ] - [ -0.0004060400000000, -0.0022537600000000, -0.0007998600000000 ] - [ -0.1718479500000000, 0.0827644600000000, -0.0490013400000000 ] - [ 0.0009406000000000, 0.0004408900000000, -0.0004288800000000 ] - [ 0.0008904700000000, 0.0003782300000000, -0.0003271000000000 ] - [ -0.0004042100000000, -0.0002026600000000, -0.0003997100000000 ] - [ -0.0004526200000000, -0.0000320900000000, -0.0003062000000000 ] - [ -0.0004636800000000, -0.0003921500000000, -0.0001406600000000 ] - [ -0.0040264900000000, -0.0019247400000000, 0.0012340800000000 ] - [ -0.0032229000000000, -0.0007336200000000, 0.0009747100000000 ] - [ -0.0037034700000000, -0.0022546400000000, 0.0008646300000000 ] - [ 0.0003493400000000, 0.0001839000000000, 0.0001028300000000 ] - [ 0.0002164100000000, 0.0004564200000000, 0.0007130200000000 ] - [ -0.0002317100000000, 0.0002344200000000, 0.0003359300000000 ] - [ -0.0002590000000000, 0.0004943800000000, 0.0009155700000000 ] - [ 0.0013832500000000, 0.0018588700000000, -0.0052964900000000 ] - [ 0.0002954500000000, -0.0004681200000000, 0.0003634800000000 ] - [ 0.0023782700000000, 0.0055602000000000, 0.0012543900000000 ] - [ -0.0001466900000000, -0.0012865100000000, -0.0001761800000000 ] - [ -0.0000985000000000, 0.0007655300000000, 0.0005595900000000 ] - [ -0.0003040800000000, 0.0000834300000000, -0.0031085000000000 ] - [ 0.0015383400000000, 0.0005029500000000, 0.0017091200000000 ] - [ 0.0000006000000000, 0.0000302700000000, -0.0001676400000000 ] - [ -0.0115311800000000, -0.0033607600000000, 0.0102491300000000 ] - [ -0.0002931800000000, -0.0004550200000000, 0.0004606800000000 ] - [ 0.0130876000000000, -0.0081399700000000, 0.0083559700000000 ] - [ 0.0000051000000000, 0.0000325300000000, -0.0002644400000000 ] - [ -0.0007366500000000, 0.0005265400000000, -0.0002238700000000 ] - [ -0.0008843000000000, 0.0003791500000000, -0.0003295400000000 ] - [ 0.0001796500000000, -0.0001053300000000, -0.0000303100000000 ] - [ 0.0050365200000000, -0.0027157800000000, 0.0016049000000000 ] - [ 0.0000600600000000, 0.0002485600000000, 0.0007119400000000 ] - [ -0.0001418000000000, 0.0009580500000000, 0.0002074100000000 ] - [ 0.0003593200000000, -0.0001815700000000, -0.0003769400000000 ] - [ 0.0003118600000000, -0.0001170700000000, -0.0004360200000000 ] - [ 0.0008928700000000, -0.0003776200000000, -0.0004543400000000 ] - [ -0.0000131900000000, 0.0000352600000000, -0.0001481000000000 ] - [ 0.0010862400000000, -0.0030803900000000, -0.0022723700000000 ] - [ 0.0000054200000000, -0.0007648100000000, 0.0003699400000000 ] - [ 0.0001485100000000, 0.0002909500000000, 0.0000345600000000 ] - [ 0.0000625000000000, 0.0005411700000000, -0.0000231300000000 ] - [ -0.0046174700000000, -0.0178626800000000, -0.0032293000000000 ] - [ 0.0000176200000000, -0.0009037800000000, -0.0000451900000000 ] - [ -0.0014290700000000, 0.0001499800000000, -0.0005928500000000 ] - [ 0.0042784800000000, -0.0029940000000000, 0.0015185400000000 ] - [ -0.0001855500000000, -0.0003682900000000, -0.0006462200000000 ] - [ -0.0000001400000000, -0.0007373500000000, 0.0005951700000000 ] - [ 0.0193909000000000, 0.0130797300000000, -0.0142377300000000 ] - [ 0.0001652700000000, -0.0003342600000000, -0.0003560100000000 ] - [ -0.0001041400000000, 0.0004653100000000, 0.0000816500000000 ] - [ -0.0000664700000000, 0.0005267400000000, -0.0000193000000000 ] - [ 0.0003786000000000, -0.0001019800000000, 0.0006606200000000 ] - [ 0.0025417300000000, 0.0004445400000000, -0.0006249900000000 ] - [ -0.0000824200000000, -0.0004966100000000, -0.0007771100000000 ] - [ -0.0000912600000000, -0.0006221200000000, -0.0000263900000000 ] - [ 0.0001413200000000, -0.0001883600000000, -0.0005926100000000 ] - [ 0.0001964000000000, -0.0000445100000000, 0.0018293200000000 ] - [ 0.2243675000000000, -0.1011498100000000, 0.0519810600000000 ] - [ -0.0006213800000000, 0.0006297300000000, -0.0003544600000000 ] - [ -0.0298090000000000, 0.0028055100000000, -0.0033060600000000 ] - [ 0.0008479500000000, 0.0009044900000000, -0.0003091000000000 ] - [ -0.0008037000000000, 0.0019752000000000, 0.0019866700000000 ] - [ -0.0000450800000000, 0.0006761200000000, -0.0004496200000000 ] - [ 0.0001932900000000, 0.0003197300000000, 0.0007727000000000 ] - [ -0.0014346600000000, 0.0057399400000000, -0.0111499500000000 ] - [ 0.0020876100000000, 0.0006417600000000, -0.0001775000000000 ] - [ -0.0021950600000000, 0.0135518000000000, 0.0011599700000000 ] - [ -0.0003543800000000, -0.0003447500000000, -0.0000929000000000 ] - [ -0.0035962200000000, 0.0006434800000000, -0.0004709200000000 ] - [ 0.0004222200000000, -0.0004985800000000, 0.0002414900000000 ] - [ 0.0000193100000000, 0.0002277200000000, 0.0001413300000000 ] - [ 0.0001376100000000, -0.0007983400000000, -0.0000811800000000 ] - [ 0.0000915500000000, -0.0006130300000000, -0.0000315500000000 ] - [ -0.0005184900000000, 0.0008075900000000, 0.0003033500000000 ] - [ -0.0430000000000000, -0.0162241900000000, 0.0176514100000000 ] - [ -0.0011502100000000, -0.0010381300000000, 0.0032003600000000 ] - [ -0.0004247900000000, 0.0005300800000000, -0.0000473400000000 ] - [ -0.0007528100000000, 0.0000904800000000, -0.0003157700000000 ] - [ -0.0010401600000000, -0.0004851400000000, -0.0007705400000000 ] - [ 0.0052059600000000, 0.0045817300000000, -0.0113313200000000 ] - [ 0.0003254800000000, 0.0006291100000000, -0.0000854200000000 ] - [ 0.0006205800000000, 0.0002746200000000, -0.0001355300000000 ] - [ 0.0009719400000000, -0.0003856800000000, -0.0005687400000000 ] - [ 0.0011523500000000, 0.0217249300000000, 0.0023043900000000 ] - [ 0.0029673900000000, 0.0012463100000000, -0.0008380000000000 ] - [ -0.0010640100000000, -0.0003639100000000, 0.0001447400000000 ] - [ 0.0000086300000000, 0.0004944900000000, 0.0005378400000000 ] - [ -0.0000882500000000, 0.0000803500000000, 0.0007328800000000 ] - [ -0.0000283800000000, 0.0008784500000000, -0.0000058200000000 ] - [ -0.0020269600000000, -0.0029104400000000, -0.0004121100000000 ] - [ -0.0038088400000000, 0.0017419200000000, -0.0011656600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042831300000000, -0.0016206400000000, -0.0047110800000000 ] - [ 0.0002334200000000, -0.0022631300000000, 0.0024663900000000 ] - [ -0.0019627200000000, 0.0008635200000000, 0.0026178500000000 ] - [ -0.0000442600000000, -0.0012463400000000, -0.0004421700000000 ] - [ 0.0024843200000000, -0.0014026900000000, 0.0029691200000000 ] - [ -0.0001658100000000, -0.0006557000000000, -0.0015903900000000 ] - [ -0.0005609700000000, 0.0014949700000000, 0.0000677900000000 ] - [ -0.0000924900000000, -0.0012546900000000, 0.0007434400000000 ] - [ 0.0001560000000000, 0.0030746700000000, 0.0009507300000000 ] - [ 0.0002276000000000, -0.0012297300000000, 0.0000658800000000 ] - [ -0.0005891800000000, -0.0071759700000000, -0.0018001200000000 ] - [ -0.0804076800000000, 0.0870074200000000, -0.0296592800000000 ] - [ 0.0004260500000000, 0.0008800500000000, -0.0001392900000000 ] - [ 0.0011776900000000, 0.0000777600000000, -0.0004146700000000 ] - [ -0.0005311000000000, -0.0003903400000000, -0.0003720200000000 ] - [ -0.0001097900000000, 0.0002765700000000, -0.0002256800000000 ] - [ -0.0006772400000000, -0.0008111700000000, -0.0003630600000000 ] - [ -0.0016901300000000, -0.0014159900000000, 0.0016065000000000 ] - [ -0.0059081800000000, -0.0045962300000000, 0.0019174700000000 ] - [ -0.0034001600000000, -0.0045396300000000, 0.0012475300000000 ] - [ 0.0005099500000000, 0.0000301100000000, -0.0003446900000000 ] - [ 0.0000956800000000, 0.0007450100000000, 0.0016756000000000 ] - [ -0.0003065500000000, 0.0001102800000000, 0.0000658400000000 ] - [ -0.0000445100000000, 0.0007988900000000, 0.0019627500000000 ] - [ 0.0000936200000000, 0.0010047300000000, -0.0013379800000000 ] - [ 0.0002029300000000, -0.0009979100000000, 0.0009319000000000 ] - [ 0.0003147700000000, 0.0026104700000000, 0.0002930100000000 ] - [ -0.0005896400000000, -0.0036283000000000, -0.0003926600000000 ] - [ -0.0001763300000000, 0.0003403000000000, 0.0010637800000000 ] - [ -0.0000711000000000, -0.0001036600000000, -0.0050953100000000 ] - [ 0.0030778400000000, 0.0036900400000000, 0.0002190600000000 ] - [ -0.0003952400000000, -0.0005328000000000, -0.0004937900000000 ] - [ 0.0017702200000000, 0.0046159300000000, 0.0137741900000000 ] - [ -0.0002059400000000, -0.0009665400000000, 0.0009628000000000 ] - [ -0.0018132200000000, 0.0030133300000000, -0.0037616700000000 ] - [ 0.0005366200000000, -0.0004579900000000, -0.0000590300000000 ] - [ -0.0002134400000000, 0.0009626300000000, 0.0001013000000000 ] - [ -0.0011593700000000, 0.0000873400000000, -0.0004105300000000 ] - [ 0.0002068400000000, -0.0003343600000000, -0.0001752200000000 ] - [ 0.0024495400000000, -0.0023964300000000, 0.0013359900000000 ] - [ 0.0000707500000000, -0.0004683900000000, 0.0012074500000000 ] - [ 0.0000398900000000, 0.0018851000000000, -0.0002902000000000 ] - [ 0.0004629100000000, -0.0003640000000000, -0.0003449400000000 ] - [ -0.0000338600000000, 0.0001708500000000, -0.0003216000000000 ] - [ -0.0004278800000000, 0.0009427000000000, 0.0003984400000000 ] - [ 0.0004510000000000, -0.0005720200000000, -0.0005095200000000 ] - [ 0.0007463500000000, 0.0027406500000000, 0.0018908000000000 ] - [ -0.0000003100000000, -0.0016958700000000, -0.0002170000000000 ] - [ 0.0002231000000000, -0.0000434800000000, 0.0001862500000000 ] - [ 0.0000323300000000, 0.0006883900000000, -0.0001187800000000 ] - [ 0.0104857400000000, -0.0155428500000000, -0.0018771600000000 ] - [ 0.0005122200000000, -0.0034116400000000, -0.0004007800000000 ] - [ -0.0013298200000000, -0.0009456100000000, -0.0003961100000000 ] - [ 0.0065470600000000, -0.0046339000000000, 0.0030097000000000 ] - [ -0.0001535000000000, -0.0006363400000000, 0.0001059500000000 ] - [ 0.0000004400000000, -0.0008084500000000, 0.0010251200000000 ] - [ -0.0083260500000000, 0.0102550400000000, 0.0007298600000000 ] - [ -0.0002654700000000, -0.0011455800000000, -0.0002301000000000 ] - [ -0.0001751200000000, 0.0001242100000000, 0.0002599000000000 ] - [ -0.0000366500000000, 0.0006812200000000, -0.0000974400000000 ] - [ 0.0003677200000000, 0.0001735800000000, 0.0017484600000000 ] - [ 0.0004572800000000, 0.0004423100000000, -0.0020613100000000 ] - [ -0.0004542700000000, -0.0005020300000000, -0.0012376300000000 ] - [ 0.0000835800000000, -0.0004137600000000, 0.0001163000000000 ] - [ 0.0001260500000000, 0.0005619200000000, -0.0014529800000000 ] - [ -0.0000078900000000, -0.0001996800000000, 0.0033654900000000 ] - [ 0.0984703300000000, -0.1310682300000000, 0.0420151800000000 ] - [ -0.0013160400000000, 0.0033195200000000, -0.0004746000000000 ] - [ 0.0035152900000000, -0.0112637500000000, 0.0025222400000000 ] - [ 0.0015888200000000, 0.0035705800000000, -0.0004916500000000 ] - [ -0.0008327500000000, -0.0021892000000000, 0.0002242600000000 ] - [ -0.0000584600000000, 0.0018498000000000, -0.0007679800000000 ] - [ 0.0003090100000000, 0.0014994700000000, 0.0012763500000000 ] - [ -0.0059958100000000, -0.0020755500000000, -0.0084074700000000 ] - [ 0.0032251300000000, 0.0046620900000000, -0.0000101000000000 ] - [ -0.0178445000000000, 0.0174279300000000, -0.0001820700000000 ] - [ -0.0003338600000000, -0.0002317700000000, 0.0004462100000000 ] - [ -0.0011726700000000, 0.0012903300000000, -0.0024768200000000 ] - [ 0.0004020100000000, -0.0015738400000000, 0.0000935100000000 ] - [ 0.0000419400000000, 0.0009976600000000, -0.0000364200000000 ] - [ 0.0005540500000000, -0.0008209900000000, -0.0004818300000000 ] - [ -0.0000780300000000, -0.0003950000000000, 0.0001215800000000 ] - [ -0.0009472900000000, 0.0027735900000000, 0.0006507700000000 ] - [ 0.0159683400000000, -0.0022521800000000, -0.0050463900000000 ] - [ 0.0000832000000000, -0.0013626500000000, 0.0003964900000000 ] - [ -0.0001350700000000, 0.0017972400000000, 0.0000505700000000 ] - [ -0.0006002500000000, 0.0006718500000000, -0.0002282900000000 ] - [ -0.0011736600000000, -0.0011635400000000, -0.0015321100000000 ] - [ -0.0035807600000000, -0.0000512800000000, -0.0198332400000000 ] - [ 0.0001464500000000, 0.0017133500000000, -0.0000088300000000 ] - [ 0.0004183700000000, 0.0009119400000000, 0.0000858200000000 ] - [ 0.0010756600000000, -0.0010553900000000, -0.0012603300000000 ] - [ -0.0124616900000000, 0.0426596400000000, 0.0062776600000000 ] - [ 0.0023025800000000, 0.0045814100000000, -0.0005214100000000 ] - [ -0.0013290800000000, -0.0025255400000000, -0.0007148700000000 ] - [ -0.0000222200000000, 0.0016466300000000, 0.0005100100000000 ] - [ -0.0001118900000000, -0.0007192300000000, 0.0002025000000000 ] - [ -0.0000422500000000, 0.0017984000000000, -0.0003966300000000 ] - [ -0.0015588200000000, -0.0009643500000000, 0.0000488000000000 ] - [ -0.0050328700000000, 0.0055949300000000, -0.0017893600000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043128100000000, 0.0007058100000000, 0.0054256400000000 ] - [ -0.0002410700000000, 0.0013929400000000, -0.0017811000000000 ] - [ 0.0019521100000000, 0.0000303900000000, -0.0019291200000000 ] - [ 0.0000449900000000, 0.0021523500000000, 0.0011149800000000 ] - [ -0.0024956100000000, 0.0013327200000000, -0.0024810100000000 ] - [ 0.0001645000000000, 0.0006038900000000, 0.0021008500000000 ] - [ 0.0005620900000000, -0.0014457600000000, 0.0004472700000000 ] - [ 0.0000933400000000, 0.0013232400000000, -0.0002276400000000 ] - [ -0.0001569200000000, -0.0017688800000000, -0.0020603200000000 ] - [ -0.0002280600000000, 0.0025392000000000, -0.0011850800000000 ] - [ 0.0005980000000000, 0.0058844000000000, 0.0006947400000000 ] - [ 0.0779051000000000, -0.0878292900000000, 0.0275294200000000 ] - [ 0.0010584200000000, 0.0001345900000000, -0.0005348900000000 ] - [ 0.0003042600000000, 0.0009399800000000, -0.0002592800000000 ] - [ -0.0001014100000000, 0.0001355000000000, -0.0004202500000000 ] - [ -0.0005236200000000, -0.0005313000000000, -0.0005669800000000 ] - [ 0.0003158100000000, 0.0005033800000000, 0.0002452100000000 ] - [ 0.0013401000000000, 0.0011169300000000, -0.0017334700000000 ] - [ 0.0074235300000000, 0.0035983800000000, -0.0026003900000000 ] - [ 0.0048663900000000, 0.0035020400000000, -0.0019142100000000 ] - [ 0.0000285200000000, 0.0004913500000000, 0.0010761500000000 ] - [ 0.0004436100000000, -0.0002244800000000, -0.0009523000000000 ] - [ -0.0002331800000000, 0.0004110400000000, 0.0006632100000000 ] - [ -0.0004949400000000, -0.0002813700000000, -0.0012429200000000 ] - [ 0.0004411200000000, -0.0015417500000000, 0.0020989600000000 ] - [ 0.0003378200000000, 0.0004767600000000, -0.0002078000000000 ] - [ -0.0000384400000000, -0.0035058400000000, -0.0002602900000000 ] - [ 0.0008745000000000, 0.0027812100000000, 0.0004319500000000 ] - [ 0.0001772500000000, 0.0010078900000000, -0.0001402800000000 ] - [ 0.0000655600000000, 0.0014559200000000, 0.0059992100000000 ] - [ -0.0026963800000000, -0.0033677900000000, -0.0003250200000000 ] - [ 0.0007570100000000, 0.0008419800000000, 0.0003701500000000 ] - [ -0.0022486500000000, -0.0052782500000000, -0.0130393000000000 ] - [ -0.0003348900000000, 0.0004461000000000, -0.0002397800000000 ] - [ 0.0011678900000000, -0.0027514500000000, 0.0029561800000000 ] - [ -0.0011735900000000, 0.0007133600000000, -0.0007354700000000 ] - [ -0.0012701300000000, 0.0000528500000000, -0.0007745200000000 ] - [ -0.0003224100000000, 0.0009306500000000, -0.0002633200000000 ] - [ 0.0001583500000000, 0.0000227800000000, 0.0000550400000000 ] - [ -0.0021019100000000, 0.0020953500000000, -0.0014708900000000 ] - [ -0.0000707200000000, 0.0012853100000000, -0.0000531000000000 ] - [ -0.0000400400000000, -0.0010628200000000, 0.0014435300000000 ] - [ 0.0001698300000000, 0.0001088200000000, -0.0004472500000000 ] - [ 0.0006670700000000, -0.0004260700000000, -0.0004711700000000 ] - [ 0.0000639100000000, -0.0006321200000000, -0.0005194900000000 ] - [ -0.0008127400000000, 0.0008811600000000, 0.0003857400000000 ] - [ -0.0007449300000000, -0.0035735700000000, -0.0007473400000000 ] - [ 0.0000004600000000, 0.0008865900000000, 0.0013786900000000 ] - [ 0.0000612000000000, 0.0008914600000000, -0.0001480500000000 ] - [ 0.0002495200000000, 0.0001680000000000, 0.0001551500000000 ] - [ -0.0108361100000000, 0.0145818100000000, 0.0017501900000000 ] - [ -0.0007957000000000, 0.0025621600000000, 0.0004390500000000 ] - [ -0.0001422300000000, -0.0000744900000000, -0.0002753900000000 ] - [ -0.0079808900000000, 0.0035974800000000, -0.0036513200000000 ] - [ 0.0001535300000000, -0.0007117900000000, 0.0008224100000000 ] - [ -0.0000005300000000, -0.0005397200000000, -0.0000935500000000 ] - [ 0.0091618500000000, -0.0098801100000000, -0.0016696700000000 ] - [ 0.0008996100000000, 0.0014090900000000, -0.0005626000000000 ] - [ -0.0001089700000000, 0.0007252200000000, -0.0002223800000000 ] - [ -0.0002451300000000, 0.0001757700000000, 0.0001334300000000 ] - [ -0.0004657600000000, -0.0008684000000000, -0.0020052200000000 ] - [ -0.0005566600000000, -0.0011520200000000, 0.0018277400000000 ] - [ -0.0001306100000000, -0.0008871900000000, 0.0011454700000000 ] - [ -0.0006681500000000, -0.0009842200000000, -0.0002026900000000 ] - [ -0.0001244100000000, -0.0011571500000000, 0.0006185500000000 ] - [ 0.0000102500000000, -0.0004035900000000, -0.0041866900000000 ] - [ -0.0976104900000000, 0.1315208700000000, -0.0411233100000000 ] - [ -0.0000858600000000, -0.0033054700000000, -0.0000795400000000 ] - [ -0.0020459600000000, 0.0112604400000000, -0.0030526500000000 ] - [ -0.0001891700000000, -0.0035579400000000, -0.0000609700000000 ] - [ 0.0008336400000000, 0.0028064000000000, -0.0010621100000000 ] - [ 0.0000590700000000, -0.0012583000000000, -0.0000784800000000 ] - [ -0.0003121300000000, -0.0016846100000000, 0.0000584700000000 ] - [ 0.0059485700000000, 0.0018306100000000, 0.0096788800000000 ] - [ -0.0032494300000000, -0.0057058700000000, 0.0003534500000000 ] - [ 0.0174758100000000, -0.0180924300000000, 0.0005701600000000 ] - [ 0.0004313500000000, -0.0004604900000000, -0.0006919600000000 ] - [ 0.0012755300000000, -0.0020001100000000, 0.0022501200000000 ] - [ -0.0004010800000000, 0.0015771100000000, 0.0003171000000000 ] - [ -0.0000421600000000, -0.0009928600000000, 0.0004467700000000 ] - [ 0.0000308500000000, -0.0005697500000000, 0.0003943000000000 ] - [ 0.0006621000000000, -0.0010033000000000, -0.0002063900000000 ] - [ 0.0009571200000000, -0.0028006400000000, -0.0002429900000000 ] - [ -0.0159397900000000, 0.0021499300000000, 0.0054767900000000 ] - [ -0.0001708300000000, 0.0020724900000000, -0.0006574800000000 ] - [ 0.0000364900000000, -0.0011015000000000, -0.0002898600000000 ] - [ -0.0008023900000000, -0.0006919700000000, -0.0003261700000000 ] - [ -0.0002291400000000, 0.0011423700000000, 0.0009809900000000 ] - [ 0.0036562100000000, 0.0008451500000000, 0.0196160100000000 ] - [ -0.0000480300000000, -0.0010185000000000, -0.0002294100000000 ] - [ 0.0009847000000000, -0.0009315200000000, -0.0006415200000000 ] - [ 0.0003281600000000, 0.0010336700000000, 0.0007089800000000 ] - [ 0.0134429700000000, -0.0423071400000000, -0.0065417900000000 ] - [ -0.0017063600000000, -0.0031877300000000, 0.0004279800000000 ] - [ 0.0013253900000000, 0.0027006400000000, 0.0020513400000000 ] - [ 0.0000219000000000, -0.0014661800000000, 0.0008353300000000 ] - [ 0.0001115500000000, 0.0017534200000000, 0.0001338600000000 ] - [ 0.0000426000000000, -0.0007682300000000, 0.0007331500000000 ] - [ 0.0009816000000000, 0.0023862100000000, -0.0001366400000000 ] - [ 0.0044073000000000, -0.0041912300000000, 0.0016802200000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006086100000000, -0.0015493400000000, 0.0008427400000000 ] - [ -0.0003827100000000, 0.0025407400000000, 0.0013411200000000 ] - [ 0.0049049500000000, 0.0024618900000000, -0.0042248200000000 ] - [ -0.0000237700000000, 0.0002743800000000, -0.0002893300000000 ] - [ -0.0018000900000000, 0.0023462300000000, 0.0017154700000000 ] - [ -0.0004459600000000, -0.0010280400000000, 0.0011192100000000 ] - [ -0.0001209400000000, -0.0021436700000000, -0.0023265900000000 ] - [ 0.0001322800000000, 0.0012305500000000, -0.0004304700000000 ] - [ -0.0002578700000000, -0.0004606300000000, -0.0060362500000000 ] - [ -0.0001878200000000, 0.0011302200000000, -0.0018039700000000 ] - [ -0.0001051300000000, -0.0003068400000000, 0.0006086500000000 ] - [ 0.0483870300000000, -0.0297289900000000, 0.0572027100000000 ] - [ 0.0006495100000000, 0.0004922700000000, -0.0006296200000000 ] - [ 0.0006701300000000, 0.0005785100000000, -0.0004865300000000 ] - [ -0.0003892500000000, -0.0000564400000000, -0.0005794800000000 ] - [ -0.0008640500000000, -0.0005927500000000, -0.0012126800000000 ] - [ -0.0003163100000000, -0.0003313100000000, 0.0001006400000000 ] - [ 0.0030800600000000, 0.0027145800000000, -0.0023580600000000 ] - [ -0.0005250300000000, -0.0005008900000000, 0.0004923600000000 ] - [ 0.0003292000000000, -0.0005572700000000, 0.0004103700000000 ] - [ 0.0003551800000000, 0.0001240200000000, -0.0003179100000000 ] - [ 0.0004438400000000, -0.0003813800000000, -0.0017954900000000 ] - [ -0.0003550600000000, 0.0000889300000000, -0.0002016200000000 ] - [ -0.0004735100000000, -0.0006143800000000, -0.0022709400000000 ] - [ 0.0012025500000000, -0.0010086300000000, 0.0026978500000000 ] - [ 0.0002285100000000, -0.0003004200000000, 0.0007733200000000 ] - [ -0.0001898600000000, -0.0010226300000000, 0.0003963900000000 ] - [ 0.0001717900000000, -0.0000565200000000, 0.0001308600000000 ] - [ 0.0001136600000000, 0.0012087300000000, 0.0014657200000000 ] - [ 0.0005542400000000, 0.0000139100000000, 0.0014458700000000 ] - [ -0.0057653500000000, -0.0051767800000000, -0.0022647000000000 ] - [ 0.0002155800000000, 0.0002318100000000, -0.0000969900000000 ] - [ -0.0072810400000000, 0.0102009300000000, -0.0146130000000000 ] - [ -0.0002363400000000, -0.0003112700000000, 0.0007379900000000 ] - [ 0.0011275700000000, -0.0029249800000000, 0.0026601800000000 ] - [ -0.0001960500000000, 0.0001938700000000, -0.0001649000000000 ] - [ -0.0012539300000000, 0.0002261000000000, -0.0012356900000000 ] - [ -0.0006888900000000, 0.0005635100000000, -0.0004826400000000 ] - [ 0.0002987500000000, -0.0002867400000000, 0.0001228100000000 ] - [ -0.0058191100000000, 0.0044832500000000, -0.0027812000000000 ] - [ -0.0001162100000000, 0.0009424600000000, -0.0000624000000000 ] - [ 0.0003167600000000, -0.0001726200000000, 0.0001367800000000 ] - [ 0.0004394600000000, -0.0000881700000000, -0.0006040700000000 ] - [ 0.0011990000000000, -0.0003884300000000, -0.0009302900000000 ] - [ -0.0005043500000000, -0.0000518500000000, -0.0003199400000000 ] - [ -0.0001784200000000, 0.0002237700000000, -0.0001303800000000 ] - [ 0.0009661500000000, -0.0015583200000000, -0.0004125100000000 ] - [ 0.0000151900000000, -0.0001898700000000, 0.0008923500000000 ] - [ -0.0000000900000000, 0.0011379200000000, -0.0001920900000000 ] - [ 0.0001874200000000, 0.0001587600000000, -0.0002041300000000 ] - [ 0.0021992300000000, -0.0016743500000000, 0.0099888200000000 ] - [ -0.0001817300000000, -0.0000944100000000, 0.0000907500000000 ] - [ -0.0007474300000000, -0.0005977500000000, 0.0000145600000000 ] - [ 0.0006632500000000, -0.0007769900000000, 0.0003439300000000 ] - [ -0.0000987300000000, -0.0004587400000000, -0.0013916800000000 ] - [ -0.0000137500000000, -0.0004621100000000, -0.0000872100000000 ] - [ 0.0090232200000000, 0.0015929300000000, 0.0086897700000000 ] - [ 0.0002357700000000, 0.0000987600000000, -0.0002107000000000 ] - [ -0.0001416800000000, 0.0005410100000000, -0.0001876800000000 ] - [ -0.0001792900000000, 0.0001844600000000, -0.0002315000000000 ] - [ -0.0002352200000000, 0.0002079200000000, 0.0001123900000000 ] - [ -0.0015813400000000, -0.0021480700000000, 0.0023556500000000 ] - [ -0.0005086700000000, -0.0016417900000000, 0.0030973900000000 ] - [ -0.0003879500000000, -0.0005474800000000, 0.0005632700000000 ] - [ -0.0004482500000000, -0.0018688700000000, -0.0002116300000000 ] - [ -0.0003765000000000, 0.0004610200000000, -0.0007951000000000 ] - [ -0.0509016400000000, 0.0416311300000000, -0.0936503600000000 ] - [ -0.0006240500000000, -0.0001890400000000, -0.0007571400000000 ] - [ -0.0022909500000000, 0.0027932500000000, -0.0088455800000000 ] - [ 0.0006682900000000, -0.0002075900000000, -0.0007993000000000 ] - [ -0.0007437500000000, 0.0014787200000000, 0.0012437600000000 ] - [ 0.0000353800000000, -0.0004354000000000, -0.0004733200000000 ] - [ 0.0000281100000000, -0.0001290100000000, -0.0001434500000000 ] - [ 0.0159008800000000, -0.0120509900000000, 0.0117958200000000 ] - [ 0.0004857600000000, -0.0007647700000000, -0.0010289600000000 ] - [ -0.0040754500000000, 0.0028512000000000, -0.0080911500000000 ] - [ 0.0002419500000000, 0.0001963700000000, -0.0000776000000000 ] - [ 0.0038820500000000, -0.0038704100000000, 0.0035428000000000 ] - [ -0.0009500100000000, 0.0009860800000000, 0.0019025900000000 ] - [ -0.0000151200000000, -0.0004349800000000, 0.0007707400000000 ] - [ 0.0003645100000000, -0.0007918200000000, 0.0013349000000000 ] - [ 0.0003788300000000, -0.0005837000000000, 0.0005898500000000 ] - [ -0.0001161600000000, -0.0000445500000000, -0.0003023700000000 ] - [ -0.0166102300000000, -0.0051212500000000, -0.0003748600000000 ] - [ -0.0011495300000000, 0.0007550100000000, -0.0011593500000000 ] - [ 0.0001257400000000, 0.0005280800000000, -0.0002233200000000 ] - [ -0.0006637500000000, -0.0000601200000000, 0.0003144800000000 ] - [ -0.0002114500000000, 0.0012498500000000, 0.0024709600000000 ] - [ 0.0086669900000000, -0.0154670900000000, 0.0416485500000000 ] - [ -0.0000532200000000, 0.0004392600000000, -0.0002428200000000 ] - [ 0.0008432500000000, -0.0003757300000000, 0.0003900200000000 ] - [ 0.0004116000000000, 0.0009775800000000, 0.0019329100000000 ] - [ -0.0014194500000000, 0.0071889700000000, -0.0054421500000000 ] - [ 0.0005932700000000, 0.0001569400000000, -0.0010472600000000 ] - [ 0.0029543700000000, 0.0030401800000000, 0.0047251900000000 ] - [ -0.0000199100000000, -0.0002840200000000, 0.0015298000000000 ] - [ 0.0002999600000000, 0.0003576200000000, 0.0022157900000000 ] - [ 0.0000471500000000, 0.0000104800000000, 0.0008629800000000 ] - [ -0.0001237100000000, 0.0012827300000000, -0.0012403400000000 ] - [ -0.0013009100000000, 0.0002933500000000, -0.0013475600000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005979500000000, 0.0006416600000000, -0.0001808600000000 ] - [ 0.0003787200000000, -0.0034282600000000, -0.0006840900000000 ] - [ -0.0048609400000000, -0.0015445500000000, 0.0048833100000000 ] - [ 0.0000244100000000, 0.0006335000000000, 0.0009733900000000 ] - [ 0.0017806200000000, -0.0023841700000000, -0.0011788200000000 ] - [ 0.0004405200000000, 0.0009612300000000, -0.0005907600000000 ] - [ 0.0001252600000000, 0.0022108900000000, 0.0028389600000000 ] - [ -0.0001323000000000, -0.0011725300000000, 0.0009400300000000 ] - [ 0.0002547000000000, 0.0017584300000000, 0.0048971500000000 ] - [ 0.0001868500000000, 0.0001823400000000, 0.0006872100000000 ] - [ 0.0001046700000000, -0.0010001900000000, -0.0017313600000000 ] - [ -0.0486622200000000, 0.0285655800000000, -0.0576679500000000 ] - [ 0.0008328000000000, 0.0005245700000000, -0.0000450200000000 ] - [ 0.0008130700000000, 0.0004381000000000, -0.0001873600000000 ] - [ -0.0002429200000000, -0.0001974000000000, -0.0002125700000000 ] - [ 0.0002305600000000, 0.0003343800000000, 0.0004179100000000 ] - [ -0.0000449800000000, 0.0000234000000000, -0.0002261700000000 ] - [ -0.0034502500000000, -0.0030296700000000, 0.0022380800000000 ] - [ 0.0019865300000000, -0.0005240400000000, -0.0011570000000000 ] - [ 0.0011787600000000, -0.0004402300000000, -0.0010936700000000 ] - [ 0.0001851700000000, 0.0003973100000000, 0.0010411200000000 ] - [ 0.0000970600000000, 0.0008997100000000, 0.0025145400000000 ] - [ -0.0001851900000000, 0.0004321400000000, 0.0009260500000000 ] - [ -0.0000671200000000, 0.0011321700000000, 0.0029895100000000 ] - [ -0.0006620600000000, 0.0004745000000000, -0.0019306900000000 ] - [ 0.0003103400000000, -0.0002200300000000, -0.0000409600000000 ] - [ 0.0004650600000000, 0.0001406400000000, -0.0003629400000000 ] - [ 0.0001133700000000, -0.0007864200000000, -0.0000914700000000 ] - [ -0.0001130000000000, 0.0001442700000000, -0.0005209700000000 ] - [ -0.0005485300000000, 0.0013348700000000, -0.0004779900000000 ] - [ 0.0060927700000000, 0.0054454500000000, 0.0021467300000000 ] - [ 0.0001492700000000, 0.0000800800000000, -0.0000237100000000 ] - [ 0.0065554500000000, -0.0106999200000000, 0.0155130000000000 ] - [ -0.0003026100000000, -0.0002097900000000, -0.0000056300000000 ] - [ -0.0017654700000000, 0.0031898200000000, -0.0034523800000000 ] - [ -0.0004371600000000, 0.0000626600000000, -0.0006259300000000 ] - [ -0.0002347100000000, 0.0007886500000000, 0.0005538400000000 ] - [ -0.0007943900000000, 0.0004533100000000, -0.0001912800000000 ] - [ 0.0000618800000000, -0.0000205000000000, -0.0002476600000000 ] - [ 0.0062148400000000, -0.0048132800000000, 0.0026663200000000 ] - [ 0.0001152600000000, -0.0001229500000000, 0.0012144600000000 ] - [ -0.0003144100000000, 0.0009798700000000, 0.0010198100000000 ] - [ 0.0001929900000000, -0.0001661900000000, -0.0001879600000000 ] - [ -0.0005630400000000, 0.0001324500000000, 0.0001385500000000 ] - [ 0.0001341800000000, 0.0003631000000000, 0.0001999400000000 ] - [ -0.0001867700000000, 0.0000884400000000, 0.0000095300000000 ] - [ -0.0009728500000000, 0.0007225600000000, 0.0015480800000000 ] - [ -0.0000153400000000, -0.0006265700000000, 0.0002605800000000 ] - [ 0.0002808300000000, -0.0002755000000000, 0.0002284900000000 ] - [ 0.0000964700000000, 0.0006903800000000, 0.0002431800000000 ] - [ -0.0024042800000000, 0.0006786000000000, -0.0098657400000000 ] - [ -0.0001019500000000, -0.0007522000000000, -0.0000520600000000 ] - [ -0.0007343800000000, -0.0004216400000000, -0.0006855900000000 ] - [ -0.0021795900000000, -0.0002193200000000, -0.0010367100000000 ] - [ 0.0000983100000000, -0.0008886600000000, 0.0023147500000000 ] - [ 0.0000138200000000, -0.0008867100000000, 0.0010136100000000 ] - [ -0.0082122300000000, -0.0012425400000000, -0.0095602700000000 ] - [ 0.0003978000000000, 0.0001558700000000, -0.0005805700000000 ] - [ -0.0001405300000000, 0.0003154500000000, 0.0002246800000000 ] - [ -0.0001045800000000, 0.0006650400000000, 0.0002704600000000 ] - [ 0.0001398900000000, -0.0009053500000000, -0.0003455000000000 ] - [ 0.0014926400000000, 0.0014542600000000, -0.0025873900000000 ] - [ -0.0000748500000000, 0.0002353900000000, -0.0031609000000000 ] - [ -0.0001972200000000, -0.0008458500000000, -0.0006511700000000 ] - [ 0.0004436400000000, 0.0012560700000000, -0.0006334700000000 ] - [ 0.0003736000000000, -0.0010590500000000, -0.0000679900000000 ] - [ 0.0497023100000000, -0.0415124200000000, 0.0913057100000000 ] - [ -0.0007764300000000, 0.0002049100000000, 0.0002007900000000 ] - [ 0.0037386900000000, -0.0027816200000000, 0.0082873100000000 ] - [ 0.0007322200000000, 0.0002216100000000, 0.0002437800000000 ] - [ 0.0007515000000000, -0.0008676400000000, -0.0020698900000000 ] - [ -0.0000347400000000, 0.0010348300000000, -0.0003599800000000 ] - [ -0.0000280200000000, -0.0000540200000000, 0.0014906900000000 ] - [ -0.0161648300000000, 0.0120640800000000, -0.0106681100000000 ] - [ -0.0004777300000000, -0.0002606700000000, 0.0013557400000000 ] - [ 0.0041246200000000, -0.0039209100000000, 0.0084138200000000 ] - [ -0.0001472700000000, -0.0008947600000000, -0.0001579700000000 ] - [ -0.0038134000000000, 0.0031914700000000, -0.0037833100000000 ] - [ 0.0009420900000000, -0.0009694300000000, -0.0014902500000000 ] - [ 0.0000149000000000, 0.0004385100000000, -0.0003602700000000 ] - [ 0.0002164000000000, -0.0006062200000000, -0.0014195300000000 ] - [ 0.0002060700000000, -0.0008095300000000, -0.0006763500000000 ] - [ 0.0001136100000000, 0.0000361500000000, 0.0007174100000000 ] - [ 0.0166416200000000, 0.0051112600000000, 0.0008782100000000 ] - [ 0.0010505400000000, -0.0000532900000000, 0.0008943000000000 ] - [ -0.0002198400000000, 0.0001655500000000, -0.0000238200000000 ] - [ -0.0007391600000000, 0.0000379600000000, -0.0008664100000000 ] - [ -0.0011877400000000, -0.0012619100000000, -0.0030146800000000 ] - [ -0.0083732900000000, 0.0156939200000000, -0.0408606800000000 ] - [ 0.0001482000000000, 0.0002546700000000, -0.0000039100000000 ] - [ 0.0005612300000000, 0.0003514900000000, -0.0009393500000000 ] - [ 0.0009887200000000, -0.0009907500000000, -0.0024783600000000 ] - [ 0.0019654300000000, -0.0056809900000000, 0.0053813400000000 ] - [ -0.0000223500000000, 0.0012236100000000, 0.0009637200000000 ] - [ -0.0029294600000000, -0.0028344500000000, -0.0033674000000000 ] - [ 0.0000194100000000, 0.0004614200000000, -0.0001865400000000 ] - [ -0.0002973000000000, 0.0006734100000000, -0.0018682800000000 ] - [ -0.0000466300000000, 0.0010168500000000, -0.0005226700000000 ] - [ -0.0004567000000000, 0.0001322000000000, 0.0011464600000000 ] - [ 0.0007390500000000, 0.0010810700000000, 0.0012677600000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0076319300000000, -0.0004629300000000, 0.0003180700000000 ] - [ -0.0006900000000000, -0.0004496600000000, 0.0003330200000000 ] - [ 0.0002657500000000, 0.0004555900000000, 0.0003454700000000 ] - [ 0.0010691600000000, 0.0004511500000000, 0.0003429800000000 ] - [ -0.0003910400000000, -0.0000247600000000, 0.0002546100000000 ] - [ -0.0008159100000000, -0.0000286700000000, 0.0002546100000000 ] - [ 0.0030621400000000, 0.0000156600000000, 0.0002534600000000 ] - [ 0.0012007700000000, 0.0000383800000000, 0.0002567400000000 ] - [ 0.0000625300000000, 0.0006440000000000, -0.0005502100000000 ] - [ -0.0036819400000000, 0.0006559400000000, -0.0005428600000000 ] - [ 0.0401485400000000, -0.0005242400000000, -0.0012289800000000 ] - [ 0.0004223200000000, -0.0006500300000000, -0.0005615500000000 ] - [ 0.0005542000000000, 0.0007274900000000, -0.0003933300000000 ] - [ 0.0006975000000000, 0.0004675800000000, -0.0002737000000000 ] - [ 0.0002881900000000, 0.0000799100000000, -0.0001937800000000 ] - [ -0.0003237600000000, -0.0001414800000000, -0.0004084300000000 ] - [ -0.0037452300000000, -0.0110455500000000, 0.0141161900000000 ] - [ -0.0002245800000000, -0.0001486600000000, 0.0000061700000000 ] - [ 0.0013430200000000, -0.0008958500000000, -0.0015270900000000 ] - [ 0.0013234700000000, -0.0001164400000000, -0.0005069100000000 ] - [ 0.0007409100000000, 0.0035750500000000, 0.0050230600000000 ] - [ 0.0002765500000000, 0.0002380400000000, 0.0003181700000000 ] - [ 0.0001897300000000, -0.0030363800000000, -0.0043024700000000 ] - [ -0.0002650600000000, 0.0002753300000000, 0.0003934500000000 ] - [ 0.0002871100000000, -0.0002366000000000, 0.0004041800000000 ] - [ 0.0004461500000000, -0.0017508200000000, 0.0053227800000000 ] - [ 0.0003204300000000, 0.0001147100000000, -0.0000152000000000 ] - [ -0.0007109500000000, -0.0032665600000000, -0.0006050900000000 ] - [ -0.0003696700000000, 0.0006769500000000, 0.0004889500000000 ] - [ 0.0000606600000000, 0.0006736700000000, 0.0004631900000000 ] - [ 0.0001627600000000, 0.0001394000000000, -0.0000559000000000 ] - [ -0.0006321700000000, -0.0003948100000000, -0.0004067200000000 ] - [ -0.0002537200000000, -0.0002759700000000, 0.0003065800000000 ] - [ -0.0000980900000000, 0.0012285600000000, -0.0045996600000000 ] - [ -0.0003835300000000, 0.0001074900000000, -0.0004375900000000 ] - [ -0.0046665900000000, 0.0013013500000000, -0.0004827400000000 ] - [ -0.0009227300000000, 0.0002891000000000, -0.0002781000000000 ] - [ -0.0007738200000000, 0.0005548000000000, -0.0003973600000000 ] - [ -0.0035811000000000, 0.0108482300000000, -0.0141876300000000 ] - [ 0.0001459700000000, -0.0001716500000000, -0.0001274700000000 ] - [ 0.0001725500000000, 0.0003983700000000, 0.0005816200000000 ] - [ -0.0000388300000000, 0.0004021400000000, 0.0005794300000000 ] - [ 0.0009228400000000, -0.0003346300000000, -0.0005993100000000 ] - [ 0.0003172300000000, -0.0001170800000000, -0.0003894400000000 ] - [ -0.0002098800000000, 0.0001812600000000, -0.0000624000000000 ] - [ -0.0010104000000000, 0.0007199500000000, 0.0002919100000000 ] - [ 0.0002553600000000, -0.0004048400000000, 0.0005753800000000 ] - [ -0.0020022600000000, -0.0004001200000000, 0.0005761600000000 ] - [ 0.0002464700000000, 0.0001238900000000, 0.0004606900000000 ] - [ 0.0001415700000000, 0.0004259600000000, 0.0000257300000000 ] - [ 0.0000344600000000, -0.0009565500000000, 0.0000498900000000 ] - [ -0.0009902600000000, 0.0024030200000000, 0.0006344100000000 ] - [ -0.0001708400000000, -0.0001011100000000, 0.0008368300000000 ] - [ -0.0001500000000000, -0.0009043800000000, -0.0001659600000000 ] - [ -0.0002759500000000, -0.0006766300000000, 0.0004651500000000 ] - [ -0.0003563600000000, -0.0006728900000000, 0.0004662400000000 ] - [ 0.0002589300000000, 0.0001502500000000, -0.0003626900000000 ] - [ -0.0040078500000000, -0.0010244700000000, -0.0003471900000000 ] - [ -0.0000406500000000, 0.0007197000000000, -0.0004192200000000 ] - [ -0.0001449100000000, 0.0004162800000000, 0.0000104600000000 ] - [ 0.0217556500000000, 0.0199814500000000, -0.0192750200000000 ] - [ -0.0002128800000000, -0.0001271700000000, -0.0003043100000000 ] - [ -0.0004921200000000, -0.0002092100000000, -0.0002846700000000 ] - [ -0.0003951200000000, -0.0007485800000000, 0.0004259800000000 ] - [ -0.0000007200000000, -0.0002919000000000, -0.0004375300000000 ] - [ -0.0000791800000000, -0.0002885500000000, -0.0004182000000000 ] - [ -0.0009015900000000, 0.0003325700000000, -0.0002544000000000 ] - [ 0.0007218800000000, -0.0059853700000000, 0.0158087300000000 ] - [ 0.0005170200000000, -0.0002891400000000, -0.0003094300000000 ] - [ 0.0021732400000000, 0.0059590500000000, -0.0162546000000000 ] - [ 0.0007264600000000, 0.0002966900000000, -0.0004129900000000 ] - [ 0.0017530500000000, 0.0002856600000000, -0.0004170000000000 ] - [ -0.0669094000000000, -0.0006565400000000, 0.0015802800000000 ] - [ 0.0000234400000000, -0.0000884500000000, 0.0006988600000000 ] - [ -0.0068493000000000, -0.0005602200000000, 0.0001135400000000 ] - [ -0.0006072800000000, -0.0005298000000000, 0.0001627900000000 ] - [ 0.0215117400000000, -0.0202388800000000, 0.0187295300000000 ] - [ -0.0001293500000000, -0.0005194000000000, 0.0000800000000000 ] - [ -0.0000233500000000, 0.0000149500000000, 0.0002115500000000 ] - [ -0.0008919000000000, 0.0000134300000000, 0.0002075100000000 ] - [ 0.0001335800000000, -0.0011665400000000, 0.0001823600000000 ] - [ 0.0002340600000000, -0.0006285900000000, -0.0005182500000000 ] - [ 0.0058757500000000, -0.0000242100000000, 0.0002326800000000 ] - [ 0.0001427800000000, -0.0000118200000000, 0.0002156600000000 ] - [ -0.0000213700000000, 0.0003256100000000, -0.0001199900000000 ] - [ 0.0004097100000000, 0.0014400300000000, -0.0038237900000000 ] - [ 0.0003426100000000, 0.0012988800000000, 0.0026472500000000 ] - [ -0.0007167000000000, 0.0000013000000000, -0.0003044800000000 ] - [ 0.0000589500000000, 0.0003189000000000, -0.0001080100000000 ] - [ 0.0004892100000000, -0.0007925100000000, 0.0035902100000000 ] - [ 0.0017605900000000, -0.0013550900000000, -0.0032358100000000 ] - [ 0.0007005400000000, -0.0000425400000000, -0.0002642800000000 ] - [ 0.0002209400000000, 0.0014031000000000, 0.0011558000000000 ] - [ 0.0008287000000000, -0.0012398300000000, -0.0002529200000000 ] - [ 0.0000008100000000, 0.0000906000000000, 0.0006915200000000 ] - [ 0.0014285900000000, 0.0000866700000000, 0.0006857600000000 ] - [ 0.0001635000000000, 0.0005362500000000, 0.0001583600000000 ] - [ 0.0005740200000000, 0.0005291900000000, 0.0001578100000000 ] - [ -0.0003810100000000, -0.0000349100000000, -0.0012315800000000 ] - [ 0.0002072100000000, 0.0026294500000000, 0.0001644800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0003919600000000, -0.0043075500000000 ] - [ 0.0000000000000000, -0.0018744100000000, 0.0004063100000000 ] - [ 0.0000000000000000, -0.0007449900000000, 0.0007665500000000 ] - [ 0.0000000000000000, 0.0010117200000000, 0.0004894700000000 ] - [ 0.0000000000000000, 0.0005323500000000, -0.0003449300000000 ] - [ 0.0000000000000000, -0.0009914800000000, 0.0007647600000000 ] - [ 0.0000000000000000, -0.0032763400000000, 0.0016819100000000 ] - [ 0.0000000000000000, -0.0002143800000000, -0.0017303700000000 ] - [ 0.0000000000000000, -0.0023538200000000, -0.0001224300000000 ] - [ 0.0000000000000000, 0.0056375800000000, 0.0011644200000000 ] - [ 0.0000000000000000, 0.0413098500000000, -0.0253088600000000 ] - [ 0.0000000000000000, -0.0036686500000000, -0.0008520000000000 ] - [ 0.0012990000000000, -0.0000496000000000, -0.0002181100000000 ] - [ -0.0002586600000000, 0.0012765000000000, -0.0000968600000000 ] - [ 0.0005265000000000, 0.0005982900000000, -0.0001270800000000 ] - [ -0.0006419300000000, -0.0005726800000000, -0.0004259800000000 ] - [ -0.0101345200000000, 0.0030192400000000, 0.0084706600000000 ] - [ -0.0008424900000000, -0.0012094200000000, 0.0005195200000000 ] - [ -0.0006420400000000, -0.0013519700000000, -0.0012068500000000 ] - [ -0.0000470300000000, -0.0014129700000000, 0.0000659300000000 ] - [ 0.0017202000000000, 0.0035494400000000, 0.0045473300000000 ] - [ 0.0005141100000000, -0.0003448000000000, -0.0004284400000000 ] - [ -0.0017202000000000, 0.0035494400000000, 0.0045473300000000 ] - [ -0.0005141100000000, -0.0003448000000000, -0.0004284400000000 ] - [ 0.0002374100000000, -0.0005368200000000, 0.0004787400000000 ] - [ 0.0005187100000000, -0.0016789500000000, 0.0040804500000000 ] - [ -0.0002244500000000, -0.0019107500000000, -0.0002858200000000 ] - [ -0.0007156500000000, -0.0024710800000000, 0.0001380100000000 ] - [ 0.0000000000000000, 0.0004409500000000, -0.0033677500000000 ] - [ 0.0000000000000000, 0.0004995800000000, 0.0002823100000000 ] - [ -0.0001693000000000, -0.0002413700000000, -0.0002528200000000 ] - [ 0.0011954900000000, 0.0012111300000000, 0.0007303500000000 ] - [ -0.0002374100000000, -0.0005368200000000, 0.0004787400000000 ] - [ -0.0005187100000000, -0.0016789500000000, 0.0040804500000000 ] - [ -0.0000258400000000, -0.0002870100000000, -0.0003799900000000 ] - [ -0.0029333900000000, 0.0019702300000000, -0.0016586000000000 ] - [ -0.0012990000000000, -0.0000496000000000, -0.0002181100000000 ] - [ 0.0002586600000000, 0.0012765000000000, -0.0000968600000000 ] - [ 0.0101345200000000, 0.0030192400000000, 0.0084706600000000 ] - [ 0.0008424900000000, -0.0012094200000000, 0.0005195200000000 ] - [ 0.0000000000000000, 0.0015034500000000, 0.0003588300000000 ] - [ 0.0000000000000000, -0.0002377800000000, 0.0009386200000000 ] - [ -0.0005265000000000, 0.0005982900000000, -0.0001270800000000 ] - [ 0.0006419300000000, -0.0005726800000000, -0.0004259800000000 ] - [ 0.0001693000000000, -0.0002413700000000, -0.0002528200000000 ] - [ -0.0011954900000000, 0.0012111300000000, 0.0007303500000000 ] - [ 0.0000000000000000, -0.0015377000000000, -0.0002732500000000 ] - [ 0.0000000000000000, 0.0005722900000000, 0.0005431800000000 ] - [ 0.0000655000000000, 0.0007636500000000, 0.0002957800000000 ] - [ 0.0005068900000000, -0.0007754900000000, 0.0000728800000000 ] - [ 0.0002244500000000, -0.0019107500000000, -0.0002858200000000 ] - [ 0.0007156500000000, -0.0024710800000000, 0.0001380100000000 ] - [ 0.0006420400000000, -0.0013519700000000, -0.0012068500000000 ] - [ 0.0000470300000000, -0.0014129700000000, 0.0000659300000000 ] - [ 0.0000000000000000, -0.0013199900000000, 0.0013743300000000 ] - [ 0.0000000000000000, -0.0002148800000000, -0.0006814000000000 ] - [ 0.0000258400000000, -0.0002870100000000, -0.0003799900000000 ] - [ 0.0029333900000000, 0.0019702300000000, -0.0016586000000000 ] - [ -0.0000655000000000, 0.0007636500000000, 0.0002957800000000 ] - [ -0.0005068900000000, -0.0007754900000000, 0.0000728800000000 ] - [ 0.0185827400000000, 0.0078085300000000, -0.0140261700000000 ] - [ -0.0008374100000000, 0.0015344900000000, -0.0004674700000000 ] - [ 0.0002025400000000, -0.0004778200000000, -0.0007809500000000 ] - [ -0.0018581100000000, -0.0003953800000000, 0.0014334200000000 ] - [ 0.0000000000000000, -0.0004466900000000, 0.0023206800000000 ] - [ 0.0000000000000000, 0.0004648900000000, -0.0004405500000000 ] - [ -0.0011109100000000, 0.0016024100000000, -0.0003145300000000 ] - [ -0.0064747900000000, -0.0019086600000000, -0.0123001500000000 ] - [ 0.0011109100000000, 0.0016024100000000, -0.0003145300000000 ] - [ 0.0064747900000000, -0.0019086600000000, -0.0123001500000000 ] - [ 0.0000000000000000, 0.0024758800000000, -0.0000484700000000 ] - [ 0.0000000000000000, -0.0000833600000000, 0.0003157400000000 ] - [ 0.0000000000000000, -0.0588507900000000, 0.0420405900000000 ] - [ 0.0000000000000000, 0.0018275100000000, 0.0006641300000000 ] - [ 0.0000000000000000, -0.0039530400000000, 0.0156366200000000 ] - [ 0.0000000000000000, 0.0016276700000000, 0.0004397100000000 ] - [ -0.0185827400000000, 0.0078085300000000, -0.0140261700000000 ] - [ 0.0008374100000000, 0.0015344900000000, -0.0004674700000000 ] - [ 0.0000000000000000, 0.0010866800000000, -0.0000356700000000 ] - [ 0.0000000000000000, -0.0018144600000000, 0.0000057800000000 ] - [ -0.0002025400000000, -0.0004778200000000, -0.0007809500000000 ] - [ 0.0018581100000000, -0.0003953800000000, 0.0014334200000000 ] - [ 0.0000000000000000, -0.0035425300000000, 0.0026264600000000 ] - [ 0.0000000000000000, 0.0015224500000000, 0.0004046100000000 ] - [ -0.0003059900000000, 0.0009362600000000, -0.0001098100000000 ] - [ 0.0005163300000000, 0.0007635000000000, -0.0031302900000000 ] - [ -0.0011481400000000, -0.0026238500000000, -0.0032186200000000 ] - [ -0.0003012200000000, 0.0015430300000000, 0.0000935100000000 ] - [ 0.0003059900000000, 0.0009362600000000, -0.0001098100000000 ] - [ -0.0005163300000000, 0.0007635000000000, -0.0031302900000000 ] - [ 0.0011481400000000, -0.0026238500000000, -0.0032186200000000 ] - [ 0.0003012200000000, 0.0015430300000000, 0.0000935100000000 ] - [ 0.0009921100000000, 0.0018949100000000, 0.0013500400000000 ] - [ 0.0002396700000000, 0.0024172700000000, -0.0004826900000000 ] - [ 0.0000000000000000, 0.0012296600000000, 0.0005920000000000 ] - [ 0.0000000000000000, -0.0019811600000000, -0.0010264500000000 ] - [ 0.0000000000000000, 0.0025163200000000, -0.0007577600000000 ] - [ 0.0000000000000000, -0.0020409500000000, 0.0007496500000000 ] - [ -0.0009921100000000, 0.0018949100000000, 0.0013500400000000 ] - [ -0.0002396700000000, 0.0024172700000000, -0.0004826900000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0005065200000000, 0.0049783500000000 ] - [ 0.0000000000000000, 0.0009696800000000, 0.0002638600000000 ] - [ 0.0000000000000000, 0.0016570700000000, -0.0000801700000000 ] - [ 0.0000000000000000, -0.0001114000000000, 0.0002071100000000 ] - [ 0.0000000000000000, -0.0005883600000000, 0.0008615000000000 ] - [ 0.0000000000000000, 0.0009282700000000, -0.0002480200000000 ] - [ 0.0000000000000000, 0.0033314200000000, -0.0011593500000000 ] - [ 0.0000000000000000, 0.0002222900000000, 0.0022242200000000 ] - [ 0.0000000000000000, 0.0036671100000000, -0.0009855200000000 ] - [ 0.0000000000000000, -0.0043352500000000, -0.0022637300000000 ] - [ 0.0000000000000000, -0.0423352400000000, 0.0231854100000000 ] - [ 0.0000000000000000, 0.0023618500000000, -0.0002714000000000 ] - [ 0.0001823500000000, 0.0010675800000000, -0.0004545800000000 ] - [ 0.0017442700000000, -0.0002613100000000, -0.0005756100000000 ] - [ -0.0011596000000000, -0.0008546100000000, -0.0006620800000000 ] - [ 0.0000098100000000, 0.0003186300000000, -0.0003649600000000 ] - [ 0.0098814500000000, -0.0032370600000000, -0.0086597500000000 ] - [ 0.0004806100000000, 0.0009025800000000, -0.0006447300000000 ] - [ 0.0021437100000000, 0.0003509800000000, 0.0005152300000000 ] - [ 0.0015270800000000, 0.0003956500000000, -0.0007403600000000 ] - [ -0.0011658800000000, -0.0030308200000000, -0.0038286700000000 ] - [ 0.0000242200000000, 0.0008679300000000, 0.0011558500000000 ] - [ 0.0011658800000000, -0.0030308200000000, -0.0038286700000000 ] - [ -0.0000242200000000, 0.0008679300000000, 0.0011558500000000 ] - [ 0.0003023300000000, 0.0000174600000000, 0.0002474200000000 ] - [ 0.0000175800000000, 0.0011556900000000, -0.0033316700000000 ] - [ 0.0005087800000000, 0.0010622600000000, 0.0003233700000000 ] - [ 0.0009978300000000, 0.0016016100000000, -0.0001129000000000 ] - [ 0.0000000000000000, 0.0009073500000000, 0.0043216800000000 ] - [ 0.0000000000000000, 0.0008486200000000, 0.0006499600000000 ] - [ 0.0005346000000000, 0.0005535800000000, 0.0001324900000000 ] - [ -0.0008266900000000, -0.0008961200000000, -0.0008491500000000 ] - [ -0.0003023300000000, 0.0000174600000000, 0.0002474200000000 ] - [ -0.0000175800000000, 0.0011556900000000, -0.0033316700000000 ] - [ -0.0006082800000000, 0.0005431200000000, -0.0004129500000000 ] - [ 0.0022865500000000, -0.0017119000000000, 0.0008655300000000 ] - [ -0.0001823500000000, 0.0010675800000000, -0.0004545800000000 ] - [ -0.0017442700000000, -0.0002613100000000, -0.0005756100000000 ] - [ -0.0098814500000000, -0.0032370600000000, -0.0086597500000000 ] - [ -0.0004806100000000, 0.0009025800000000, -0.0006447300000000 ] - [ 0.0000000000000000, -0.0006953800000000, 0.0008009500000000 ] - [ 0.0000000000000000, 0.0010527100000000, 0.0002188600000000 ] - [ 0.0011596000000000, -0.0008546100000000, -0.0006620800000000 ] - [ -0.0000098100000000, 0.0003186300000000, -0.0003649600000000 ] - [ -0.0005346000000000, 0.0005535800000000, 0.0001324900000000 ] - [ 0.0008266900000000, -0.0008961200000000, -0.0008491500000000 ] - [ 0.0000000000000000, 0.0007239700000000, 0.0014280500000000 ] - [ 0.0000000000000000, -0.0013961500000000, 0.0006031900000000 ] - [ 0.0002185800000000, 0.0000872400000000, -0.0002560000000000 ] - [ -0.0002254500000000, 0.0016316600000000, -0.0000335900000000 ] - [ -0.0005087800000000, 0.0010622600000000, 0.0003233700000000 ] - [ -0.0009978300000000, 0.0016016100000000, -0.0001129000000000 ] - [ -0.0021437100000000, 0.0003509800000000, 0.0005152300000000 ] - [ -0.0015270800000000, 0.0003956500000000, -0.0007403600000000 ] - [ 0.0000000000000000, -0.0000282700000000, -0.0004454300000000 ] - [ 0.0000000000000000, -0.0011334600000000, 0.0016133500000000 ] - [ 0.0006082800000000, 0.0005431200000000, -0.0004129500000000 ] - [ -0.0022865500000000, -0.0017119000000000, 0.0008655300000000 ] - [ -0.0002185800000000, 0.0000872400000000, -0.0002560000000000 ] - [ 0.0002254500000000, 0.0016316600000000, -0.0000335900000000 ] - [ -0.0184601700000000, -0.0084521800000000, 0.0136577500000000 ] - [ 0.0007459300000000, -0.0022342300000000, 0.0002328700000000 ] - [ -0.0007901800000000, -0.0009162000000000, 0.0006899200000000 ] - [ 0.0012804900000000, -0.0009984800000000, -0.0015379700000000 ] - [ 0.0000000000000000, -0.0001488200000000, -0.0031754500000000 ] - [ 0.0000000000000000, -0.0010613400000000, -0.0004035100000000 ] - [ -0.0002927800000000, -0.0015829000000000, -0.0002385700000000 ] - [ 0.0051207400000000, 0.0019959600000000, 0.0118132800000000 ] - [ 0.0002927800000000, -0.0015829000000000, -0.0002385700000000 ] - [ -0.0051207400000000, 0.0019959600000000, 0.0118132800000000 ] - [ 0.0000000000000000, -0.0018779000000000, -0.0007889100000000 ] - [ 0.0000000000000000, 0.0006870700000000, -0.0011498100000000 ] - [ 0.0000000000000000, 0.0580320000000000, -0.0394920800000000 ] - [ 0.0000000000000000, -0.0020141600000000, 0.0006857700000000 ] - [ 0.0000000000000000, 0.0028897100000000, -0.0152130400000000 ] - [ 0.0000000000000000, -0.0026600200000000, -0.0001024700000000 ] - [ 0.0184601700000000, -0.0084521800000000, 0.0136577500000000 ] - [ -0.0007459300000000, -0.0022342300000000, 0.0002328700000000 ] - [ 0.0000000000000000, -0.0010807900000000, 0.0004438900000000 ] - [ 0.0000000000000000, 0.0018269600000000, 0.0003993600000000 ] - [ 0.0007901800000000, -0.0009162000000000, 0.0006899200000000 ] - [ -0.0012804900000000, -0.0009984800000000, -0.0015379700000000 ] - [ 0.0000000000000000, 0.0035321900000000, -0.0022063500000000 ] - [ 0.0000000000000000, -0.0015302300000000, 0.0000106600000000 ] - [ 0.0002121800000000, -0.0002444300000000, -0.0001325500000000 ] - [ -0.0006063200000000, -0.0000660400000000, 0.0028724800000000 ] - [ -0.0002553600000000, 0.0026031400000000, 0.0026573600000000 ] - [ -0.0011041900000000, -0.0015686100000000, -0.0006508500000000 ] - [ -0.0002121800000000, -0.0002444300000000, -0.0001325500000000 ] - [ 0.0006063200000000, -0.0000660400000000, 0.0028724800000000 ] - [ 0.0002553600000000, 0.0026031400000000, 0.0026573600000000 ] - [ 0.0011041900000000, -0.0015686100000000, -0.0006508500000000 ] - [ -0.0004144500000000, -0.0005112700000000, -0.0014265000000000 ] - [ 0.0003467100000000, -0.0010104700000000, 0.0004025900000000 ] - [ 0.0000000000000000, -0.0010488800000000, 0.0007474900000000 ] - [ 0.0000000000000000, 0.0021608100000000, 0.0023594900000000 ] - [ 0.0000000000000000, -0.0014847300000000, 0.0010934900000000 ] - [ 0.0000000000000000, 0.0030809400000000, -0.0004167800000000 ] - [ 0.0004144500000000, -0.0005112700000000, -0.0014265000000000 ] - [ -0.0003467100000000, -0.0010104700000000, 0.0004025900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0003276600000000, 0.0098959200000000 ] - [ 0.0000000000000000, 0.0003596700000000, 0.0037341200000000 ] - [ 0.0000000000000000, -0.0008776100000000, -0.0024535700000000 ] - [ 0.0000000000000000, 0.0013923300000000, -0.0035455600000000 ] - [ 0.0000000000000000, -0.0009647600000000, -0.0008604800000000 ] - [ 0.0000000000000000, 0.0015544000000000, -0.0007976200000000 ] - [ 0.0000000000000000, 0.0035180800000000, -0.0002930500000000 ] - [ 0.0000000000000000, -0.0032835000000000, -0.0010448000000000 ] - [ 0.0000000000000000, 0.0010778900000000, -0.0033621400000000 ] - [ 0.0000000000000000, -0.0019089300000000, -0.0067573600000000 ] - [ 0.0000000000000000, -0.0275968300000000, 0.2598368100000000 ] - [ 0.0000000000000000, -0.0001380500000000, 0.0032017700000000 ] - [ 0.0006490200000000, 0.0006604500000000, -0.0007004600000000 ] - [ 0.0008024900000000, 0.0003481900000000, -0.0007762900000000 ] - [ -0.0013284400000000, -0.0004755100000000, -0.0016086300000000 ] - [ -0.0005165200000000, -0.0001424200000000, -0.0007360100000000 ] - [ 0.0170726900000000, 0.0120752800000000, 0.0007279700000000 ] - [ -0.0005909800000000, -0.0007420100000000, 0.0006697200000000 ] - [ -0.0051554500000000, -0.0049594900000000, 0.0024023600000000 ] - [ 0.0015486000000000, 0.0002855800000000, -0.0004036000000000 ] - [ 0.0006468400000000, -0.0010645100000000, -0.0044281600000000 ] - [ 0.0004012200000000, -0.0000111200000000, -0.0001680300000000 ] - [ -0.0006468400000000, -0.0010645100000000, -0.0044281600000000 ] - [ -0.0004012200000000, -0.0000111200000000, -0.0001680300000000 ] - [ 0.0003457800000000, -0.0005426000000000, 0.0005102100000000 ] - [ 0.0004512500000000, 0.0021671300000000, -0.0067355900000000 ] - [ -0.0000869700000000, -0.0014134500000000, 0.0002208000000000 ] - [ 0.0016151300000000, 0.0051098400000000, 0.0019579600000000 ] - [ 0.0000000000000000, -0.0003314900000000, -0.0080355900000000 ] - [ 0.0000000000000000, 0.0009095500000000, 0.0002791600000000 ] - [ -0.0003188700000000, -0.0002228900000000, -0.0006134500000000 ] - [ -0.0014999300000000, -0.0011563500000000, -0.0014813800000000 ] - [ -0.0003457800000000, -0.0005426000000000, 0.0005102100000000 ] - [ -0.0004512500000000, 0.0021671300000000, -0.0067355900000000 ] - [ 0.0000190400000000, 0.0000980700000000, -0.0000457800000000 ] - [ 0.0045950800000000, -0.0020995900000000, 0.0024854900000000 ] - [ -0.0006490200000000, 0.0006604500000000, -0.0007004600000000 ] - [ -0.0008024900000000, 0.0003481900000000, -0.0007762900000000 ] - [ -0.0170726900000000, 0.0120752800000000, 0.0007279700000000 ] - [ 0.0005909800000000, -0.0007420100000000, 0.0006697200000000 ] - [ 0.0000000000000000, 0.0021029100000000, -0.0009511000000000 ] - [ 0.0000000000000000, 0.0008710800000000, -0.0001246000000000 ] - [ 0.0013284400000000, -0.0004755100000000, -0.0016086300000000 ] - [ 0.0005165200000000, -0.0001424200000000, -0.0007360100000000 ] - [ 0.0003188700000000, -0.0002228900000000, -0.0006134500000000 ] - [ 0.0014999300000000, -0.0011563500000000, -0.0014813800000000 ] - [ 0.0000000000000000, 0.0002361500000000, 0.0018036700000000 ] - [ 0.0000000000000000, 0.0004212000000000, 0.0028600400000000 ] - [ -0.0000923300000000, 0.0009378500000000, -0.0008790200000000 ] - [ 0.0003231400000000, 0.0002107200000000, -0.0002932000000000 ] - [ 0.0000869700000000, -0.0014134500000000, 0.0002208000000000 ] - [ -0.0016151300000000, 0.0051098400000000, 0.0019579600000000 ] - [ 0.0051554500000000, -0.0049594900000000, 0.0024023600000000 ] - [ -0.0015486000000000, 0.0002855800000000, -0.0004036000000000 ] - [ 0.0000000000000000, -0.0000185900000000, -0.0000267900000000 ] - [ 0.0000000000000000, -0.0010567200000000, 0.0006904600000000 ] - [ -0.0000190400000000, 0.0000980700000000, -0.0000457800000000 ] - [ -0.0045950800000000, -0.0020995900000000, 0.0024854900000000 ] - [ 0.0000923300000000, 0.0009378500000000, -0.0008790200000000 ] - [ -0.0003231400000000, 0.0002107200000000, -0.0002932000000000 ] - [ -0.0221972800000000, -0.0179936200000000, 0.0074712100000000 ] - [ -0.0013947500000000, 0.0010279700000000, -0.0012425200000000 ] - [ -0.0000989100000000, -0.0009589200000000, 0.0016672500000000 ] - [ -0.0008317900000000, -0.0007465500000000, 0.0022999100000000 ] - [ 0.0000000000000000, 0.0001853300000000, 0.0064077200000000 ] - [ 0.0000000000000000, -0.0010221100000000, 0.0005929600000000 ] - [ -0.0008007500000000, 0.0006175200000000, -0.0010949600000000 ] - [ 0.0111773900000000, -0.0091354500000000, 0.0110882200000000 ] - [ 0.0008007500000000, 0.0006175200000000, -0.0010949600000000 ] - [ -0.0111773900000000, -0.0091354500000000, 0.0110882200000000 ] - [ 0.0000000000000000, -0.0017174800000000, -0.0021822500000000 ] - [ 0.0000000000000000, 0.0002138200000000, -0.0025917400000000 ] - [ 0.0000000000000000, 0.0417905600000000, -0.3128557400000000 ] - [ 0.0000000000000000, -0.0001046600000000, -0.0018786000000000 ] - [ 0.0000000000000000, 0.0137775400000000, 0.0179472900000000 ] - [ 0.0000000000000000, -0.0019112500000000, -0.0004349100000000 ] - [ 0.0221972800000000, -0.0179936200000000, 0.0074712100000000 ] - [ 0.0013947500000000, 0.0010279700000000, -0.0012425200000000 ] - [ 0.0000000000000000, -0.0002384700000000, 0.0012185300000000 ] - [ 0.0000000000000000, -0.0001460800000000, 0.0029612400000000 ] - [ 0.0000989100000000, -0.0009589200000000, 0.0016672500000000 ] - [ 0.0008317900000000, -0.0007465500000000, 0.0022999100000000 ] - [ 0.0000000000000000, 0.0030993100000000, -0.0054230400000000 ] - [ 0.0000000000000000, -0.0006533900000000, -0.0011032300000000 ] - [ -0.0002232200000000, 0.0012109100000000, 0.0005665400000000 ] - [ -0.0012711200000000, -0.0010512100000000, 0.0058010000000000 ] - [ -0.0001799600000000, 0.0013829100000000, 0.0037859700000000 ] - [ -0.0005680700000000, 0.0001528100000000, 0.0005831600000000 ] - [ 0.0002232200000000, 0.0012109100000000, 0.0005665400000000 ] - [ 0.0012711200000000, -0.0010512100000000, 0.0058010000000000 ] - [ 0.0001799600000000, 0.0013829100000000, 0.0037859700000000 ] - [ 0.0005680700000000, 0.0001528100000000, 0.0005831600000000 ] - [ 0.0036915800000000, 0.0034292200000000, -0.0030294400000000 ] - [ 0.0009076900000000, -0.0033063100000000, -0.0014250000000000 ] - [ 0.0000000000000000, 0.0001689200000000, 0.0026300800000000 ] - [ 0.0000000000000000, 0.0017894500000000, 0.0050683300000000 ] - [ 0.0000000000000000, -0.0002170800000000, 0.0012411200000000 ] - [ 0.0000000000000000, 0.0010062600000000, 0.0012004400000000 ] - [ -0.0036915800000000, 0.0034292200000000, -0.0030294400000000 ] - [ -0.0009076900000000, -0.0033063100000000, -0.0014250000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0012060600000000, -0.0091709400000000 ] - [ 0.0000000000000000, -0.0012670400000000, -0.0030392700000000 ] - [ 0.0000000000000000, 0.0017788300000000, 0.0031151100000000 ] - [ 0.0000000000000000, -0.0004807300000000, 0.0042054300000000 ] - [ 0.0000000000000000, 0.0008993400000000, 0.0013739600000000 ] - [ 0.0000000000000000, -0.0016026100000000, 0.0013057900000000 ] - [ 0.0000000000000000, -0.0034364200000000, 0.0007957800000000 ] - [ 0.0000000000000000, 0.0033286200000000, 0.0015310300000000 ] - [ 0.0000000000000000, 0.0002352300000000, 0.0022327200000000 ] - [ 0.0000000000000000, 0.0031976000000000, 0.0056090600000000 ] - [ 0.0000000000000000, 0.0239960900000000, -0.2454272100000000 ] - [ 0.0000000000000000, -0.0011627400000000, -0.0043000000000000 ] - [ 0.0008314000000000, 0.0003584400000000, 0.0000250800000000 ] - [ 0.0006804500000000, 0.0006684500000000, 0.0001010900000000 ] - [ 0.0006847700000000, 0.0002164300000000, 0.0008125500000000 ] - [ -0.0001178900000000, -0.0001123500000000, -0.0000578900000000 ] - [ -0.0173841800000000, -0.0123297100000000, -0.0011667800000000 ] - [ 0.0002264400000000, 0.0004339300000000, -0.0007909500000000 ] - [ 0.0065909600000000, 0.0039155400000000, -0.0030322500000000 ] - [ -0.0000612600000000, -0.0012980100000000, -0.0002706700000000 ] - [ -0.0001300400000000, 0.0015444200000000, 0.0051184600000000 ] - [ 0.0001379100000000, 0.0005326500000000, 0.0008952000000000 ] - [ 0.0001300400000000, 0.0015444200000000, 0.0051184600000000 ] - [ -0.0001379100000000, 0.0005326500000000, 0.0008952000000000 ] - [ 0.0001950200000000, 0.0000201100000000, 0.0002180800000000 ] - [ 0.0000813700000000, -0.0026708400000000, 0.0073968800000000 ] - [ 0.0003713400000000, 0.0005629100000000, -0.0001810500000000 ] - [ -0.0013243300000000, -0.0059199800000000, -0.0018964700000000 ] - [ 0.0000000000000000, 0.0016831000000000, 0.0088824500000000 ] - [ 0.0000000000000000, 0.0004412000000000, 0.0006531700000000 ] - [ 0.0006800000000000, 0.0005317800000000, 0.0004887500000000 ] - [ 0.0018559500000000, 0.0014616400000000, 0.0013508400000000 ] - [ -0.0001950200000000, 0.0000201100000000, 0.0002180800000000 ] - [ -0.0000813700000000, -0.0026708400000000, 0.0073968800000000 ] - [ -0.0006524900000000, 0.0001585300000000, -0.0007454300000000 ] - [ -0.0051938900000000, 0.0023270000000000, -0.0032354300000000 ] - [ -0.0008314000000000, 0.0003584400000000, 0.0000250800000000 ] - [ -0.0006804500000000, 0.0006684500000000, 0.0001010900000000 ] - [ 0.0173841800000000, -0.0123297100000000, -0.0011667800000000 ] - [ -0.0002264400000000, 0.0004339300000000, -0.0007909500000000 ] - [ 0.0000000000000000, -0.0012833100000000, 0.0021007100000000 ] - [ 0.0000000000000000, -0.0000511800000000, 0.0012752600000000 ] - [ -0.0006847700000000, 0.0002164300000000, 0.0008125500000000 ] - [ 0.0001178900000000, -0.0001123500000000, -0.0000578900000000 ] - [ -0.0006800000000000, 0.0005317800000000, 0.0004887500000000 ] - [ -0.0018559500000000, 0.0014616400000000, 0.0013508400000000 ] - [ 0.0000000000000000, -0.0010450400000000, -0.0006411100000000 ] - [ 0.0000000000000000, -0.0012388900000000, -0.0016965900000000 ] - [ 0.0003741300000000, -0.0000845100000000, 0.0009121300000000 ] - [ -0.0000400800000000, 0.0006399600000000, 0.0003319400000000 ] - [ -0.0003713400000000, 0.0005629100000000, -0.0001810500000000 ] - [ 0.0013243300000000, -0.0059199800000000, -0.0018964700000000 ] - [ -0.0065909600000000, 0.0039155400000000, -0.0030322500000000 ] - [ 0.0000612600000000, -0.0012980100000000, -0.0002706700000000 ] - [ 0.0000000000000000, -0.0013263800000000, 0.0009533200000000 ] - [ 0.0000000000000000, -0.0002930800000000, 0.0002363500000000 ] - [ 0.0006524900000000, 0.0001585300000000, -0.0007454300000000 ] - [ 0.0051938900000000, 0.0023270000000000, -0.0032354300000000 ] - [ -0.0003741300000000, -0.0000845100000000, 0.0009121300000000 ] - [ 0.0000400800000000, 0.0006399600000000, 0.0003319400000000 ] - [ 0.0221652400000000, 0.0173574000000000, -0.0075380000000000 ] - [ 0.0013042600000000, -0.0017240200000000, 0.0010004300000000 ] - [ -0.0004877600000000, -0.0004354200000000, -0.0017428900000000 ] - [ 0.0002432500000000, -0.0006447400000000, -0.0023759600000000 ] - [ 0.0000000000000000, -0.0007762800000000, -0.0071877200000000 ] - [ 0.0000000000000000, 0.0004169900000000, -0.0014281400000000 ] - [ -0.0006012200000000, -0.0005970200000000, 0.0005364200000000 ] - [ -0.0122930200000000, 0.0089553400000000, -0.0113781800000000 ] - [ 0.0006012200000000, -0.0005970200000000, 0.0005364200000000 ] - [ 0.0122930200000000, 0.0089553400000000, -0.0113781800000000 ] - [ 0.0000000000000000, 0.0023058900000000, 0.0013352800000000 ] - [ 0.0000000000000000, 0.0003931000000000, 0.0017476500000000 ] - [ 0.0000000000000000, -0.0398039600000000, 0.2980097600000000 ] - [ 0.0000000000000000, -0.0000830700000000, 0.0032124900000000 ] - [ 0.0000000000000000, -0.0144770900000000, -0.0172184000000000 ] - [ 0.0000000000000000, 0.0008682100000000, 0.0007687300000000 ] - [ -0.0221652400000000, 0.0173574000000000, -0.0075380000000000 ] - [ -0.0013042600000000, -0.0017240200000000, 0.0010004300000000 ] - [ 0.0000000000000000, 0.0002436100000000, -0.0007991500000000 ] - [ 0.0000000000000000, 0.0001555000000000, -0.0025338700000000 ] - [ 0.0004877600000000, -0.0004354200000000, -0.0017428900000000 ] - [ -0.0002432500000000, -0.0006447400000000, -0.0023759600000000 ] - [ 0.0000000000000000, -0.0030724400000000, 0.0057793200000000 ] - [ 0.0000000000000000, 0.0006387300000000, 0.0015129200000000 ] - [ 0.0001275000000000, -0.0005129000000000, -0.0008029300000000 ] - [ 0.0011717900000000, 0.0017316700000000, -0.0059939700000000 ] - [ -0.0012223900000000, -0.0013876900000000, -0.0043084900000000 ] - [ -0.0008349000000000, -0.0001751800000000, -0.0011356500000000 ] - [ -0.0001275000000000, -0.0005129000000000, -0.0008029300000000 ] - [ -0.0011717900000000, 0.0017316700000000, -0.0059939700000000 ] - [ 0.0012223900000000, -0.0013876900000000, -0.0043084900000000 ] - [ 0.0008349000000000, -0.0001751800000000, -0.0011356500000000 ] - [ -0.0030774100000000, -0.0020249100000000, 0.0029078200000000 ] - [ -0.0003164400000000, 0.0046682500000000, 0.0013256700000000 ] - [ 0.0000000000000000, 0.0000128100000000, -0.0012739100000000 ] - [ 0.0000000000000000, -0.0015976900000000, -0.0037006600000000 ] - [ 0.0000000000000000, 0.0012445000000000, -0.0008984700000000 ] - [ 0.0000000000000000, 0.0000303400000000, -0.0008575600000000 ] - [ 0.0030774100000000, -0.0020249100000000, 0.0029078200000000 ] - [ 0.0003164400000000, 0.0046682500000000, 0.0013256700000000 ]- atom: 75 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0073453000000000, -0.0004333000000000, 0.0003647300000000 ] - [ -0.0011186400000000, -0.0004601000000000, 0.0003384200000000 ] - [ 0.0001291100000000, 0.0004649700000000, 0.0003357300000000 ] - [ 0.0007772500000000, 0.0004498700000000, 0.0003391600000000 ] - [ -0.0045779500000000, -0.0000279500000000, 0.0002331100000000 ] - [ -0.0008422600000000, -0.0000333500000000, 0.0002581400000000 ] - [ 0.0006155000000000, 0.0000331000000000, 0.0002613200000000 ] - [ 0.0001575000000000, 0.0000223700000000, 0.0002531300000000 ] - [ -0.0000640000000000, 0.0006485100000000, -0.0005604600000000 ] - [ -0.0002353200000000, 0.0006558800000000, -0.0005622900000000 ] - [ 0.0374633000000000, -0.0000955500000000, -0.0003588000000000 ] - [ 0.0038485900000000, -0.0006735700000000, -0.0005498300000000 ] - [ 0.0007623900000000, 0.0004976200000000, -0.0003295600000000 ] - [ 0.0006983100000000, 0.0005251100000000, -0.0002948500000000 ] - [ -0.0002465800000000, -0.0001295800000000, -0.0004201800000000 ] - [ -0.0003020900000000, -0.0001259900000000, -0.0004018900000000 ] - [ 0.0003625300000000, 0.0005822200000000, 0.0005390200000000 ] - [ -0.0000737600000000, -0.0000811900000000, -0.0000320900000000 ] - [ -0.0063868900000000, -0.0183885600000000, 0.0046440200000000 ] - [ 0.0017200300000000, -0.0000383500000000, -0.0006688900000000 ] - [ 0.0001237900000000, 0.0003521800000000, 0.0007456700000000 ] - [ 0.0002403000000000, 0.0002746700000000, 0.0004215800000000 ] - [ -0.0004150200000000, 0.0001691800000000, -0.0000188300000000 ] - [ -0.0003004800000000, 0.0002439800000000, 0.0003033100000000 ] - [ 0.0003686500000000, -0.0000062700000000, 0.0009753200000000 ] - [ 0.0001618500000000, -0.0013006300000000, 0.0032318500000000 ] - [ 0.0045440400000000, 0.0043907500000000, 0.0020242400000000 ] - [ -0.0011864700000000, -0.0052836900000000, -0.0012974700000000 ] - [ 0.0088830300000000, 0.0007297700000000, 0.0004961000000000 ] - [ 0.0000733000000000, 0.0006730000000000, 0.0004621600000000 ] - [ -0.0000281200000000, 0.0000814400000000, -0.0001374700000000 ] - [ -0.0004202800000000, -0.0000899700000000, -0.0003936500000000 ] - [ -0.0001719900000000, -0.0005171000000000, -0.0002568900000000 ] - [ -0.0003746800000000, 0.0007729600000000, -0.0024888600000000 ] - [ -0.0008831500000000, 0.0004130300000000, -0.0006027400000000 ] - [ -0.0038979000000000, 0.0004245800000000, -0.0021994500000000 ] - [ -0.0007178800000000, 0.0005207500000000, -0.0003450000000000 ] - [ -0.0007830100000000, 0.0004919200000000, -0.0003789400000000 ] - [ 0.0006953800000000, -0.0008690900000000, -0.0006757200000000 ] - [ 0.0002948500000000, -0.0002361800000000, -0.0000858800000000 ] - [ 0.0001271800000000, 0.0003999800000000, 0.0005793600000000 ] - [ -0.0000111100000000, 0.0004057500000000, 0.0005778500000000 ] - [ 0.0003837000000000, -0.0001251900000000, -0.0003714200000000 ] - [ 0.0003329700000000, -0.0001310500000000, -0.0003915300000000 ] - [ -0.0003872600000000, 0.0002232500000000, 0.0000109500000000 ] - [ -0.0007878000000000, 0.0004042700000000, 0.0002728900000000 ] - [ -0.0004579700000000, -0.0004117200000000, 0.0005796400000000 ] - [ -0.0003301600000000, -0.0004047200000000, 0.0005786100000000 ] - [ 0.0001592600000000, 0.0003840700000000, 0.0000895600000000 ] - [ 0.0001329300000000, 0.0004586700000000, 0.0000267700000000 ] - [ 0.0043078000000000, -0.0052480800000000, -0.0020106200000000 ] - [ -0.0014705800000000, 0.0044144900000000, 0.0013340100000000 ] - [ -0.0081096900000000, 0.0173706500000000, -0.0054596500000000 ] - [ 0.0002501800000000, -0.0009872800000000, 0.0000001400000000 ] - [ 0.0002966300000000, -0.0006739600000000, 0.0004710800000000 ] - [ 0.0000522200000000, -0.0006745100000000, 0.0004640900000000 ] - [ -0.0002529600000000, -0.0001655600000000, -0.0001888800000000 ] - [ -0.0032451500000000, -0.0001429300000000, 0.0014001000000000 ] - [ -0.0001250900000000, 0.0004725000000000, -0.0000515700000000 ] - [ -0.0001515900000000, 0.0003879600000000, 0.0000114900000000 ] - [ -0.0002183700000000, -0.0009634400000000, -0.0011864100000000 ] - [ -0.0000722600000000, -0.0004335600000000, -0.0002793600000000 ] - [ -0.0003443600000000, -0.0007218600000000, -0.0000724000000000 ] - [ -0.0003055100000000, -0.0007460600000000, 0.0000795500000000 ] - [ -0.0047728300000000, -0.0003261400000000, -0.0004879400000000 ] - [ -0.0000748900000000, -0.0002958800000000, -0.0004178200000000 ] - [ -0.0027872800000000, 0.0032630600000000, 0.0002050000000000 ] - [ 0.0014869500000000, -0.0177200300000000, -0.0043781400000000 ] - [ -0.0013716900000000, -0.0032117000000000, -0.0007576400000000 ] - [ 0.0029220900000000, 0.0175969300000000, 0.0038234500000000 ] - [ 0.0010451700000000, 0.0003020300000000, -0.0004337000000000 ] - [ 0.0002953500000000, 0.0002987000000000, -0.0004197900000000 ] - [ -0.0068495700000000, -0.0000823700000000, 0.0007068500000000 ] - [ -0.0006077200000000, -0.0000861800000000, 0.0006671100000000 ] - [ -0.0792015200000000, -0.0015461100000000, 0.0003996800000000 ] - [ -0.0016559200000000, -0.0005029400000000, 0.0001681800000000 ] - [ -0.0001065900000000, 0.0002493900000000, 0.0009461100000000 ] - [ 0.0000247200000000, -0.0002506400000000, 0.0000351400000000 ] - [ -0.0000480700000000, 0.0000052200000000, 0.0002063500000000 ] - [ -0.0002288800000000, 0.0000060900000000, 0.0002036200000000 ] - [ 0.0002469100000000, -0.0006783700000000, -0.0000178400000000 ] - [ 0.0002839500000000, -0.0006438500000000, -0.0001644100000000 ] - [ 0.0043755000000000, -0.0000245100000000, 0.0002120400000000 ] - [ 0.0008200700000000, 0.0000033400000000, 0.0002041700000000 ] - [ 0.0002753600000000, 0.0004942900000000, -0.0006872900000000 ] - [ 0.0003318400000000, 0.0009887200000000, -0.0019327100000000 ] - [ -0.0006137900000000, 0.0000983800000000, 0.0000200500000000 ] - [ -0.0006728100000000, 0.0000344300000000, -0.0002307300000000 ] - [ 0.0003682200000000, 0.0002032500000000, 0.0004578500000000 ] - [ 0.0004222500000000, -0.0002912800000000, 0.0016820600000000 ] - [ 0.0007885500000000, -0.0001244000000000, -0.0005765400000000 ] - [ 0.0007299000000000, -0.0000502800000000, -0.0003240500000000 ] - [ 0.0308721200000000, 0.0291917000000000, -0.0118760500000000 ] - [ 0.0012298400000000, -0.0031848600000000, -0.0004990400000000 ] - [ 0.0001631400000000, 0.0000959200000000, 0.0006763500000000 ] - [ 0.0005736200000000, 0.0000867200000000, 0.0006767800000000 ] - [ -0.0000297200000000, 0.0005191400000000, 0.0001630100000000 ] - [ 0.0000589200000000, 0.0005155800000000, 0.0001690400000000 ] - [ 0.0297503100000000, -0.0272450600000000, 0.0115412700000000 ] - [ 0.0006355500000000, 0.0045926100000000, 0.0004080800000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0072901800000000, 0.0075347200000000 ] - [ 0.0000000000000000, -0.0034680800000000, -0.0012871300000000 ] - [ 0.0000000000000000, -0.0015108900000000, -0.0021660500000000 ] - [ 0.0000000000000000, 0.0001283100000000, 0.0019426300000000 ] - [ 0.0000000000000000, 0.0023893800000000, -0.0037636600000000 ] - [ 0.0000000000000000, -0.0021563000000000, 0.0017128400000000 ] - [ 0.0000000000000000, 0.0007292100000000, 0.0013058600000000 ] - [ 0.0000000000000000, -0.0017964000000000, -0.0014940400000000 ] - [ 0.0000000000000000, -0.0016429900000000, -0.0011640700000000 ] - [ 0.0000000000000000, 0.0029384300000000, -0.0006562200000000 ] - [ 0.0000000000000000, 0.1845200800000000, 0.0716695600000000 ] - [ 0.0000000000000000, -0.0087638000000000, 0.0009698600000000 ] - [ 0.0010371400000000, 0.0002457100000000, -0.0004982700000000 ] - [ 0.0005407500000000, 0.0006539500000000, -0.0002517000000000 ] - [ -0.0003199000000000, 0.0002443200000000, -0.0007196200000000 ] - [ -0.0006251200000000, -0.0004536100000000, -0.0004984000000000 ] - [ 0.0036206300000000, 0.0037668900000000, -0.0020011900000000 ] - [ -0.0009965900000000, -0.0011887400000000, 0.0004722900000000 ] - [ -0.0195279100000000, -0.0016962800000000, 0.0068036900000000 ] - [ -0.0016146800000000, -0.0024629300000000, 0.0005889300000000 ] - [ 0.0001636300000000, 0.0003638300000000, 0.0002307300000000 ] - [ 0.0004431600000000, -0.0001279700000000, -0.0002518000000000 ] - [ -0.0001636300000000, 0.0003638300000000, 0.0002307300000000 ] - [ -0.0004431600000000, -0.0001279700000000, -0.0002518000000000 ] - [ 0.0004174400000000, -0.0012378900000000, 0.0000585800000000 ] - [ -0.0005062300000000, -0.0020713300000000, 0.0062524900000000 ] - [ -0.0013878300000000, -0.0063459100000000, -0.0007396800000000 ] - [ -0.0015787400000000, -0.0086008100000000, -0.0017137800000000 ] - [ 0.0000000000000000, 0.0092308000000000, -0.0142963400000000 ] - [ 0.0000000000000000, 0.0001908800000000, 0.0001595100000000 ] - [ -0.0008980500000000, -0.0008446000000000, -0.0008898500000000 ] - [ 0.0014298300000000, 0.0014312100000000, 0.0009641700000000 ] - [ -0.0004174400000000, -0.0012378900000000, 0.0000585800000000 ] - [ 0.0005062300000000, -0.0020713300000000, 0.0062524900000000 ] - [ 0.0007103000000000, -0.0010745400000000, 0.0000112600000000 ] - [ -0.0052692900000000, 0.0035372700000000, -0.0025656700000000 ] - [ -0.0010371400000000, 0.0002457100000000, -0.0004982700000000 ] - [ -0.0005407500000000, 0.0006539500000000, -0.0002517000000000 ] - [ -0.0036206300000000, 0.0037668900000000, -0.0020011900000000 ] - [ 0.0009965900000000, -0.0011887400000000, 0.0004722900000000 ] - [ 0.0000000000000000, 0.0039014900000000, 0.0010258700000000 ] - [ 0.0000000000000000, -0.0004206700000000, 0.0009980000000000 ] - [ 0.0003199000000000, 0.0002443200000000, -0.0007196200000000 ] - [ 0.0006251200000000, -0.0004536100000000, -0.0004984000000000 ] - [ 0.0008980500000000, -0.0008446000000000, -0.0008898500000000 ] - [ -0.0014298300000000, 0.0014312100000000, 0.0009641700000000 ] - [ 0.0000000000000000, -0.0017420700000000, 0.0006408100000000 ] - [ 0.0000000000000000, -0.0002813100000000, -0.0001394300000000 ] - [ -0.0002132800000000, 0.0014940700000000, -0.0005582500000000 ] - [ 0.0003828300000000, -0.0005778400000000, 0.0001651700000000 ] - [ 0.0013878300000000, -0.0063459100000000, -0.0007396800000000 ] - [ 0.0015787400000000, -0.0086008100000000, -0.0017137800000000 ] - [ 0.0195279100000000, -0.0016962800000000, 0.0068036900000000 ] - [ 0.0016146800000000, -0.0024629300000000, 0.0005889300000000 ] - [ 0.0000000000000000, -0.0005279400000000, 0.0017168900000000 ] - [ 0.0000000000000000, -0.0005272700000000, -0.0007947900000000 ] - [ -0.0007103000000000, -0.0010745400000000, 0.0000112600000000 ] - [ 0.0052692900000000, 0.0035372700000000, -0.0025656700000000 ] - [ 0.0002132800000000, 0.0014940700000000, -0.0005582500000000 ] - [ -0.0003828300000000, -0.0005778400000000, 0.0001651700000000 ] - [ -0.0020558600000000, -0.0037285000000000, 0.0002306000000000 ] - [ -0.0000197200000000, 0.0012303600000000, 0.0000422900000000 ] - [ 0.0002779200000000, -0.0009972600000000, 0.0006826700000000 ] - [ -0.0007177200000000, -0.0001053300000000, 0.0000607500000000 ] - [ 0.0000000000000000, -0.0054056300000000, 0.0147105600000000 ] - [ 0.0000000000000000, 0.0008981400000000, -0.0006113400000000 ] - [ -0.0018483500000000, 0.0051809500000000, -0.0005289300000000 ] - [ -0.0144867100000000, 0.0175582600000000, 0.0030680500000000 ] - [ 0.0018483500000000, 0.0051809500000000, -0.0005289300000000 ] - [ 0.0144867100000000, 0.0175582600000000, 0.0030680500000000 ] - [ 0.0000000000000000, 0.0013193100000000, -0.0032640100000000 ] - [ 0.0000000000000000, 0.0005705800000000, 0.0011233800000000 ] - [ 0.0000000000000000, -0.0034793900000000, 0.0146964100000000 ] - [ 0.0000000000000000, 0.0020485600000000, -0.0007184400000000 ] - [ 0.0000000000000000, -0.2452752400000000, -0.0847486000000000 ] - [ 0.0000000000000000, 0.0047718000000000, 0.0002805400000000 ] - [ 0.0020558600000000, -0.0037285000000000, 0.0002306000000000 ] - [ 0.0000197200000000, 0.0012303600000000, 0.0000422900000000 ] - [ 0.0000000000000000, 0.0010724000000000, 0.0003887700000000 ] - [ 0.0000000000000000, -0.0022606300000000, 0.0010464000000000 ] - [ -0.0002779200000000, -0.0009972600000000, 0.0006826700000000 ] - [ 0.0007177200000000, -0.0001053300000000, 0.0000607500000000 ] - [ 0.0000000000000000, -0.0061404800000000, 0.0029774500000000 ] - [ 0.0000000000000000, 0.0027656500000000, -0.0001756300000000 ] - [ -0.0009422500000000, 0.0018739900000000, 0.0011008200000000 ] - [ 0.0011599600000000, 0.0010552200000000, -0.0042561500000000 ] - [ -0.0011328800000000, -0.0012428500000000, -0.0001198500000000 ] - [ -0.0003410100000000, 0.0012704600000000, 0.0002254200000000 ] - [ 0.0009422500000000, 0.0018739900000000, 0.0011008200000000 ] - [ -0.0011599600000000, 0.0010552200000000, -0.0042561500000000 ] - [ 0.0011328800000000, -0.0012428500000000, -0.0001198500000000 ] - [ 0.0003410100000000, 0.0012704600000000, 0.0002254200000000 ] - [ 0.0309944200000000, 0.0149843700000000, -0.0114349000000000 ] - [ 0.0000862000000000, 0.0078003000000000, 0.0002132600000000 ] - [ 0.0000000000000000, 0.0020847600000000, 0.0013996900000000 ] - [ 0.0000000000000000, -0.0024619300000000, 0.0001848200000000 ] - [ 0.0000000000000000, 0.0017500000000000, -0.0005529100000000 ] - [ 0.0000000000000000, -0.0006084200000000, 0.0010617900000000 ] - [ -0.0309944200000000, 0.0149843700000000, -0.0114349000000000 ] - [ -0.0000862000000000, 0.0078003000000000, 0.0002132600000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0082164100000000, -0.0068746700000000 ] - [ 0.0000000000000000, 0.0025782700000000, 0.0019809100000000 ] - [ 0.0000000000000000, 0.0024546600000000, 0.0028522000000000 ] - [ 0.0000000000000000, 0.0007742400000000, -0.0012790500000000 ] - [ 0.0000000000000000, -0.0024447600000000, 0.0042816700000000 ] - [ 0.0000000000000000, 0.0021099600000000, -0.0012111500000000 ] - [ 0.0000000000000000, -0.0006696300000000, -0.0007893000000000 ] - [ 0.0000000000000000, 0.0018607200000000, 0.0020168200000000 ] - [ 0.0000000000000000, 0.0029613900000000, 0.0000472800000000 ] - [ 0.0000000000000000, -0.0016487100000000, -0.0004613800000000 ] - [ 0.0000000000000000, -0.1955102800000000, -0.0784938900000000 ] - [ 0.0000000000000000, 0.0074863600000000, -0.0020861800000000 ] - [ 0.0004402700000000, 0.0007756300000000, -0.0001745800000000 ] - [ 0.0009424700000000, 0.0003616500000000, -0.0004229900000000 ] - [ -0.0003123700000000, -0.0005026500000000, -0.0000703500000000 ] - [ -0.0000084700000000, 0.0001987800000000, -0.0002950800000000 ] - [ -0.0039933000000000, -0.0040925600000000, 0.0018762100000000 ] - [ 0.0006348800000000, 0.0008807700000000, -0.0005949100000000 ] - [ 0.0210903000000000, 0.0009638800000000, -0.0074873000000000 ] - [ 0.0031068700000000, 0.0014549200000000, -0.0012664500000000 ] - [ 0.0003764400000000, 0.0001556700000000, 0.0004960200000000 ] - [ 0.0000962300000000, 0.0006495900000000, 0.0009808200000000 ] - [ -0.0003764400000000, 0.0001556700000000, 0.0004960200000000 ] - [ -0.0000962300000000, 0.0006495900000000, 0.0009808200000000 ] - [ 0.0001252000000000, 0.0007181100000000, 0.0006635100000000 ] - [ 0.0010505800000000, 0.0015606400000000, -0.0055812500000000 ] - [ 0.0017114700000000, 0.0055089900000000, 0.0007927200000000 ] - [ 0.0018696100000000, 0.0078416700000000, 0.0017727600000000 ] - [ 0.0000000000000000, -0.0076374600000000, 0.0153750200000000 ] - [ 0.0000000000000000, 0.0011601200000000, 0.0007702900000000 ] - [ 0.0012663700000000, 0.0011598700000000, 0.0007713700000000 ] - [ -0.0010738700000000, -0.0011318400000000, -0.0010941500000000 ] - [ -0.0001252000000000, 0.0007181100000000, 0.0006635100000000 ] - [ -0.0010505800000000, 0.0015606400000000, -0.0055812500000000 ] - [ -0.0013481900000000, 0.0013348800000000, -0.0008055500000000 ] - [ 0.0046714000000000, -0.0033216600000000, 0.0017917100000000 ] - [ -0.0004402700000000, 0.0007756300000000, -0.0001745800000000 ] - [ -0.0009424700000000, 0.0003616500000000, -0.0004229900000000 ] - [ 0.0039933000000000, -0.0040925600000000, 0.0018762100000000 ] - [ -0.0006348800000000, 0.0008807700000000, -0.0005949100000000 ] - [ 0.0000000000000000, -0.0031226000000000, 0.0001624900000000 ] - [ 0.0000000000000000, 0.0012409300000000, 0.0001533000000000 ] - [ 0.0003123700000000, -0.0005026500000000, -0.0000703500000000 ] - [ 0.0000084700000000, 0.0001987800000000, -0.0002950800000000 ] - [ -0.0012663700000000, 0.0011598700000000, 0.0007713700000000 ] - [ 0.0010738700000000, -0.0011318400000000, -0.0010941500000000 ] - [ 0.0000000000000000, 0.0009317300000000, 0.0005162500000000 ] - [ 0.0000000000000000, -0.0005353900000000, 0.0013020900000000 ] - [ 0.0005000600000000, -0.0006470500000000, 0.0006012600000000 ] - [ -0.0001001300000000, 0.0014323900000000, -0.0001283700000000 ] - [ -0.0017114700000000, 0.0055089900000000, 0.0007927200000000 ] - [ -0.0018696100000000, 0.0078416700000000, 0.0017727600000000 ] - [ -0.0210903000000000, 0.0009638800000000, -0.0074873000000000 ] - [ -0.0031068700000000, 0.0014549200000000, -0.0012664500000000 ] - [ 0.0000000000000000, -0.0008207200000000, -0.0007888200000000 ] - [ 0.0000000000000000, -0.0008230900000000, 0.0017348400000000 ] - [ 0.0013481900000000, 0.0013348800000000, -0.0008055500000000 ] - [ -0.0046714000000000, -0.0033216600000000, 0.0017917100000000 ] - [ -0.0005000600000000, -0.0006470500000000, 0.0006012600000000 ] - [ 0.0001001300000000, 0.0014323900000000, -0.0001283700000000 ] - [ 0.0019682300000000, 0.0030476000000000, -0.0004732000000000 ] - [ -0.0000768400000000, -0.0019290800000000, -0.0002871900000000 ] - [ -0.0008730500000000, -0.0004012500000000, -0.0007806700000000 ] - [ 0.0001303400000000, -0.0012887700000000, -0.0001458000000000 ] - [ 0.0000000000000000, 0.0046714200000000, -0.0157482400000000 ] - [ 0.0000000000000000, -0.0015014800000000, -0.0002239700000000 ] - [ 0.0004532700000000, -0.0051836100000000, -0.0000262100000000 ] - [ 0.0134345100000000, -0.0179621700000000, -0.0037069400000000 ] - [ -0.0004532700000000, -0.0051836100000000, -0.0000262100000000 ] - [ -0.0134345100000000, -0.0179621700000000, -0.0037069400000000 ] - [ 0.0000000000000000, -0.0007227800000000, 0.0024263800000000 ] - [ 0.0000000000000000, 0.0000275400000000, -0.0019771400000000 ] - [ 0.0000000000000000, 0.0033623400000000, -0.0135509400000000 ] - [ 0.0000000000000000, -0.0022389900000000, 0.0020645700000000 ] - [ 0.0000000000000000, 0.2541613100000000, 0.0914545900000000 ] - [ 0.0000000000000000, -0.0058306100000000, 0.0000540700000000 ] - [ -0.0019682300000000, 0.0030476000000000, -0.0004732000000000 ] - [ 0.0000768400000000, -0.0019290800000000, -0.0002871900000000 ] - [ 0.0000000000000000, -0.0010732800000000, 0.0000240000000000 ] - [ 0.0000000000000000, 0.0022845900000000, -0.0006449000000000 ] - [ 0.0008730500000000, -0.0004012500000000, -0.0007806700000000 ] - [ -0.0001303400000000, -0.0012887700000000, -0.0001458000000000 ] - [ 0.0000000000000000, 0.0061850600000000, -0.0025934200000000 ] - [ 0.0000000000000000, -0.0027838800000000, 0.0005847400000000 ] - [ 0.0008493700000000, -0.0011904100000000, -0.0013408900000000 ] - [ -0.0012599300000000, -0.0003638400000000, 0.0040536900000000 ] - [ -0.0002686400000000, 0.0012269300000000, -0.0004373700000000 ] - [ -0.0010662100000000, -0.0012983600000000, -0.0007827400000000 ] - [ -0.0008493700000000, -0.0011904100000000, -0.0013408900000000 ] - [ 0.0012599300000000, -0.0003638400000000, 0.0040536900000000 ] - [ 0.0002686400000000, 0.0012269300000000, -0.0004373700000000 ] - [ 0.0010662100000000, -0.0012983600000000, -0.0007827400000000 ] - [ -0.0301305100000000, -0.0136559400000000, 0.0112383400000000 ] - [ 0.0005087900000000, -0.0064764400000000, -0.0003086500000000 ] - [ 0.0000000000000000, -0.0019131400000000, -0.0000555100000000 ] - [ 0.0000000000000000, 0.0026610900000000, 0.0011662800000000 ] - [ 0.0000000000000000, -0.0007243900000000, 0.0008884100000000 ] - [ 0.0000000000000000, 0.0016532500000000, -0.0007331400000000 ] - [ 0.0301305100000000, -0.0136559400000000, 0.0112383400000000 ] - [ -0.0005087900000000, -0.0064764400000000, -0.0003086500000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000437200000000, 0.0000862000000000 ] - [ 0.0000000000000000, -0.0007941200000000, 0.0006477100000000 ] - [ 0.0000000000000000, -0.0065643000000000, -0.0028417800000000 ] - [ 0.0000000000000000, 0.0020601400000000, -0.0000399300000000 ] - [ 0.0000000000000000, -0.0014578700000000, 0.0025645900000000 ] - [ 0.0000000000000000, -0.0000494700000000, 0.0008254500000000 ] - [ 0.0000000000000000, 0.0009523600000000, -0.0015557000000000 ] - [ 0.0000000000000000, -0.0020970700000000, -0.0017862300000000 ] - [ 0.0000000000000000, -0.0002839600000000, -0.0017927900000000 ] - [ 0.0000000000000000, 0.0018061600000000, -0.0026494600000000 ] - [ 0.0000000000000000, 0.0772048800000000, 0.0803528600000000 ] - [ 0.0000000000000000, -0.0013040600000000, 0.0002728500000000 ] - [ 0.0014165100000000, -0.0000836200000000, -0.0005936900000000 ] - [ 0.0005625400000000, 0.0007000900000000, -0.0004320800000000 ] - [ -0.0014938400000000, -0.0000521700000000, -0.0016340300000000 ] - [ -0.0005943300000000, -0.0002978800000000, -0.0006256400000000 ] - [ 0.0040471200000000, 0.0028136400000000, -0.0028556000000000 ] - [ -0.0003233100000000, -0.0003813600000000, 0.0001067800000000 ] - [ 0.0023039500000000, 0.0031894700000000, 0.0127576700000000 ] - [ 0.0005751300000000, -0.0007248800000000, -0.0001499800000000 ] - [ 0.0005215600000000, -0.0002971300000000, -0.0018730800000000 ] - [ 0.0004013300000000, -0.0000142700000000, -0.0003451000000000 ] - [ -0.0005215600000000, -0.0002971300000000, -0.0018730800000000 ] - [ -0.0004013300000000, -0.0000142700000000, -0.0003451000000000 ] - [ 0.0002670600000000, -0.0009465200000000, 0.0018422500000000 ] - [ 0.0006363300000000, 0.0001909700000000, 0.0024529000000000 ] - [ 0.0018865400000000, 0.0007175800000000, 0.0006140900000000 ] - [ -0.0001079400000000, -0.0006885500000000, -0.0001902500000000 ] - [ 0.0000000000000000, -0.0083647400000000, -0.0175366800000000 ] - [ 0.0000000000000000, 0.0006922100000000, 0.0008663000000000 ] - [ -0.0005328600000000, -0.0003564900000000, -0.0007082000000000 ] - [ 0.0000461500000000, 0.0007137200000000, -0.0000309400000000 ] - [ -0.0002670600000000, -0.0009465200000000, 0.0018422500000000 ] - [ -0.0006363300000000, 0.0001909700000000, 0.0024529000000000 ] - [ -0.0000686300000000, 0.0001206400000000, -0.0002106300000000 ] - [ -0.0005560500000000, 0.0000242800000000, 0.0001067800000000 ] - [ -0.0014165100000000, -0.0000836200000000, -0.0005936900000000 ] - [ -0.0005625400000000, 0.0007000900000000, -0.0004320800000000 ] - [ -0.0040471200000000, 0.0028136400000000, -0.0028556000000000 ] - [ 0.0003233100000000, -0.0003813600000000, 0.0001067800000000 ] - [ 0.0000000000000000, 0.0068171700000000, -0.0019209300000000 ] - [ 0.0000000000000000, 0.0001261600000000, 0.0006128900000000 ] - [ 0.0014938400000000, -0.0000521700000000, -0.0016340300000000 ] - [ 0.0005943300000000, -0.0002978800000000, -0.0006256400000000 ] - [ 0.0005328600000000, -0.0003564900000000, -0.0007082000000000 ] - [ -0.0000461500000000, 0.0007137200000000, -0.0000309400000000 ] - [ 0.0000000000000000, -0.0002129200000000, 0.0006883500000000 ] - [ 0.0000000000000000, -0.0006003700000000, 0.0006326600000000 ] - [ -0.0004951000000000, 0.0008450600000000, -0.0010438800000000 ] - [ 0.0002741000000000, 0.0001447100000000, -0.0000451900000000 ] - [ -0.0018865400000000, 0.0007175800000000, 0.0006140900000000 ] - [ 0.0001079400000000, -0.0006885500000000, -0.0001902500000000 ] - [ -0.0023039500000000, 0.0031894700000000, 0.0127576700000000 ] - [ -0.0005751300000000, -0.0007248800000000, -0.0001499800000000 ] - [ 0.0000000000000000, -0.0004989200000000, -0.0004607000000000 ] - [ 0.0000000000000000, -0.0006081900000000, -0.0004489400000000 ] - [ 0.0000686300000000, 0.0001206400000000, -0.0002106300000000 ] - [ 0.0005560500000000, 0.0000242800000000, 0.0001067800000000 ] - [ 0.0004951000000000, 0.0008450600000000, -0.0010438800000000 ] - [ -0.0002741000000000, 0.0001447100000000, -0.0000451900000000 ] - [ -0.0021635500000000, -0.0021540700000000, 0.0025989900000000 ] - [ -0.0004913900000000, 0.0003384000000000, 0.0000083600000000 ] - [ 0.0009016800000000, 0.0003117900000000, 0.0023066800000000 ] - [ -0.0006748000000000, -0.0008616400000000, 0.0008597700000000 ] - [ 0.0000000000000000, 0.0083840800000000, 0.0424339400000000 ] - [ 0.0000000000000000, -0.0002163100000000, -0.0005929600000000 ] - [ -0.0003492100000000, -0.0001777400000000, -0.0014749700000000 ] - [ -0.0016789600000000, -0.0003348400000000, -0.0085140000000000 ] - [ 0.0003492100000000, -0.0001777400000000, -0.0014749700000000 ] - [ 0.0016789600000000, -0.0003348400000000, -0.0085140000000000 ] - [ 0.0000000000000000, -0.0003101400000000, 0.0001652700000000 ] - [ 0.0000000000000000, 0.0005760000000000, -0.0000030100000000 ] - [ 0.0000000000000000, 0.0151639100000000, 0.0180549900000000 ] - [ 0.0000000000000000, 0.0001805700000000, 0.0000724100000000 ] - [ 0.0000000000000000, -0.0875504400000000, -0.1212528600000000 ] - [ 0.0000000000000000, -0.0004002400000000, -0.0002682100000000 ] - [ 0.0021635500000000, -0.0021540700000000, 0.0025989900000000 ] - [ 0.0004913900000000, 0.0003384000000000, 0.0000083600000000 ] - [ 0.0000000000000000, 0.0006624900000000, 0.0007182600000000 ] - [ 0.0000000000000000, -0.0033209000000000, 0.0035009700000000 ] - [ -0.0009016800000000, 0.0003117900000000, 0.0023066800000000 ] - [ 0.0006748000000000, -0.0008616400000000, 0.0008597700000000 ] - [ 0.0000000000000000, 0.0002930400000000, -0.0005120800000000 ] - [ 0.0000000000000000, 0.0000325900000000, -0.0001684500000000 ] - [ -0.0010286700000000, 0.0022011400000000, -0.0004615100000000 ] - [ -0.0004564200000000, -0.0003900100000000, -0.0014943700000000 ] - [ -0.0012728000000000, -0.0000458300000000, 0.0017679600000000 ] - [ -0.0005269400000000, 0.0005567800000000, 0.0004173800000000 ] - [ 0.0010286700000000, 0.0022011400000000, -0.0004615100000000 ] - [ 0.0004564200000000, -0.0003900100000000, -0.0014943700000000 ] - [ 0.0012728000000000, -0.0000458300000000, 0.0017679600000000 ] - [ 0.0005269400000000, 0.0005567800000000, 0.0004173800000000 ] - [ -0.0080703000000000, -0.0069122100000000, -0.0049624900000000 ] - [ 0.0002031000000000, 0.0010252700000000, -0.0003623100000000 ] - [ 0.0000000000000000, 0.0010192100000000, 0.0017398100000000 ] - [ 0.0000000000000000, -0.0004970100000000, 0.0016943700000000 ] - [ 0.0000000000000000, 0.0012408300000000, 0.0010815900000000 ] - [ 0.0000000000000000, -0.0003857700000000, 0.0011559600000000 ] - [ 0.0080703000000000, -0.0069122100000000, -0.0049624900000000 ] - [ -0.0002031000000000, 0.0010252700000000, -0.0003623100000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0008824400000000, 0.0005411000000000 ] - [ 0.0000000000000000, -0.0001146100000000, 0.0000143200000000 ] - [ 0.0000000000000000, 0.0074020500000000, 0.0035079700000000 ] - [ 0.0000000000000000, -0.0011422900000000, 0.0007313000000000 ] - [ 0.0000000000000000, 0.0013891700000000, -0.0020152000000000 ] - [ 0.0000000000000000, -0.0000129800000000, -0.0002986400000000 ] - [ 0.0000000000000000, -0.0009014300000000, 0.0020557500000000 ] - [ 0.0000000000000000, 0.0021766900000000, 0.0023013700000000 ] - [ 0.0000000000000000, 0.0015847100000000, 0.0006783800000000 ] - [ 0.0000000000000000, -0.0004813200000000, 0.0015398400000000 ] - [ 0.0000000000000000, -0.0806077100000000, -0.0815066800000000 ] - [ 0.0000000000000000, -0.0000065100000000, -0.0014010400000000 ] - [ 0.0000738200000000, 0.0010936600000000, -0.0000813000000000 ] - [ 0.0009192600000000, 0.0003186200000000, -0.0002411400000000 ] - [ 0.0008520600000000, -0.0002003900000000, 0.0008336800000000 ] - [ -0.0000410100000000, 0.0000410900000000, -0.0001679100000000 ] - [ -0.0044273500000000, -0.0031364000000000, 0.0027390600000000 ] - [ -0.0000381500000000, 0.0000738600000000, -0.0002328700000000 ] - [ -0.0005834200000000, -0.0040341200000000, -0.0134511200000000 ] - [ 0.0009003800000000, -0.0002965200000000, -0.0005210900000000 ] - [ 0.0000193300000000, 0.0008156800000000, 0.0025918800000000 ] - [ 0.0001389000000000, 0.0005343200000000, 0.0010668500000000 ] - [ -0.0000193300000000, 0.0008156800000000, 0.0025918800000000 ] - [ -0.0001389000000000, 0.0005343200000000, 0.0010668500000000 ] - [ 0.0002727600000000, 0.0004198000000000, -0.0011004200000000 ] - [ -0.0000977600000000, -0.0007154800000000, -0.0016930200000000 ] - [ -0.0015798800000000, -0.0015401300000000, -0.0005583200000000 ] - [ 0.0003824500000000, -0.0002008700000000, 0.0002179600000000 ] - [ 0.0000000000000000, 0.0095664800000000, 0.0186020900000000 ] - [ 0.0000000000000000, 0.0006567300000000, 0.0000724000000000 ] - [ 0.0008932000000000, 0.0006648300000000, 0.0005833800000000 ] - [ 0.0003208100000000, -0.0003954600000000, -0.0000865400000000 ] - [ -0.0002727600000000, 0.0004198000000000, -0.0011004200000000 ] - [ 0.0000977600000000, -0.0007154800000000, -0.0016930200000000 ] - [ -0.0005638500000000, 0.0001359900000000, -0.0005812100000000 ] - [ -0.0000945400000000, 0.0002404100000000, -0.0009094000000000 ] - [ -0.0000738200000000, 0.0010936600000000, -0.0000813000000000 ] - [ -0.0009192600000000, 0.0003186200000000, -0.0002411400000000 ] - [ 0.0044273500000000, -0.0031364000000000, 0.0027390600000000 ] - [ 0.0000381500000000, 0.0000738600000000, -0.0002328700000000 ] - [ 0.0000000000000000, -0.0059665900000000, 0.0030704500000000 ] - [ 0.0000000000000000, 0.0006853500000000, 0.0005451800000000 ] - [ -0.0008520600000000, -0.0002003900000000, 0.0008336800000000 ] - [ 0.0000410100000000, 0.0000410900000000, -0.0001679100000000 ] - [ -0.0008932000000000, 0.0006648300000000, 0.0005833800000000 ] - [ -0.0003208100000000, -0.0003954600000000, -0.0000865400000000 ] - [ 0.0000000000000000, -0.0005999900000000, 0.0004626200000000 ] - [ 0.0000000000000000, -0.0002232000000000, 0.0005102500000000 ] - [ 0.0007709600000000, 0.0000088200000000, 0.0010731000000000 ] - [ 0.0000087000000000, 0.0007079600000000, 0.0000838700000000 ] - [ 0.0015798800000000, -0.0015401300000000, -0.0005583200000000 ] - [ -0.0003824500000000, -0.0002008700000000, 0.0002179600000000 ] - [ 0.0005834200000000, -0.0040341200000000, -0.0134511200000000 ] - [ -0.0009003800000000, -0.0002965200000000, -0.0005210900000000 ] - [ 0.0000000000000000, -0.0008504100000000, 0.0013781300000000 ] - [ 0.0000000000000000, -0.0007389500000000, 0.0013722500000000 ] - [ 0.0005638500000000, 0.0001359900000000, -0.0005812100000000 ] - [ 0.0000945400000000, 0.0002404100000000, -0.0009094000000000 ] - [ -0.0007709600000000, 0.0000088200000000, 0.0010731000000000 ] - [ -0.0000087000000000, 0.0007079600000000, 0.0000838700000000 ] - [ 0.0020787800000000, 0.0014686600000000, -0.0028284400000000 ] - [ 0.0003994000000000, -0.0010371700000000, -0.0002403200000000 ] - [ -0.0014730600000000, -0.0016927200000000, -0.0023755200000000 ] - [ 0.0000897000000000, -0.0005348200000000, -0.0009507700000000 ] - [ 0.0000000000000000, -0.0086778900000000, -0.0421616200000000 ] - [ 0.0000000000000000, -0.0003801200000000, -0.0002545400000000 ] - [ -0.0010479500000000, 0.0001877500000000, 0.0009094300000000 ] - [ 0.0002658100000000, 0.0004188700000000, 0.0079898300000000 ] - [ 0.0010479500000000, 0.0001877500000000, 0.0009094300000000 ] - [ -0.0002658100000000, 0.0004188700000000, 0.0079898300000000 ] - [ 0.0000000000000000, 0.0009056500000000, -0.0009823500000000 ] - [ 0.0000000000000000, 0.0000290400000000, -0.0008227800000000 ] - [ 0.0000000000000000, -0.0156889700000000, -0.0171060800000000 ] - [ 0.0000000000000000, -0.0003627400000000, 0.0012805600000000 ] - [ 0.0000000000000000, 0.0885383500000000, 0.1205345100000000 ] - [ 0.0000000000000000, -0.0006301200000000, 0.0006003000000000 ] - [ -0.0020787800000000, 0.0014686600000000, -0.0028284400000000 ] - [ -0.0003994000000000, -0.0010371700000000, -0.0002403200000000 ] - [ 0.0000000000000000, -0.0006516200000000, -0.0003106700000000 ] - [ 0.0000000000000000, 0.0032954000000000, -0.0030712200000000 ] - [ 0.0014730600000000, -0.0016927200000000, -0.0023755200000000 ] - [ -0.0000897000000000, -0.0005348200000000, -0.0009507700000000 ] - [ 0.0000000000000000, -0.0003064500000000, 0.0009430400000000 ] - [ 0.0000000000000000, -0.0000364200000000, 0.0005770400000000 ] - [ 0.0009249900000000, -0.0014938600000000, 0.0002102900000000 ] - [ 0.0003623200000000, 0.0010811400000000, 0.0012295600000000 ] - [ -0.0001393400000000, 0.0000207400000000, -0.0023172600000000 ] - [ -0.0008765700000000, -0.0005754600000000, -0.0009697900000000 ] - [ -0.0009249900000000, -0.0014938600000000, 0.0002102900000000 ] - [ -0.0003623200000000, 0.0010811400000000, 0.0012295600000000 ] - [ 0.0001393400000000, 0.0000207400000000, -0.0023172600000000 ] - [ 0.0008765700000000, -0.0005754600000000, -0.0009697900000000 ] - [ 0.0085531000000000, 0.0082129700000000, 0.0049605600000000 ] - [ 0.0003786800000000, 0.0003984500000000, 0.0002765000000000 ] - [ 0.0000000000000000, -0.0008308400000000, -0.0003955800000000 ] - [ 0.0000000000000000, 0.0006706400000000, -0.0003586600000000 ] - [ 0.0000000000000000, -0.0001983900000000, -0.0007374800000000 ] - [ 0.0000000000000000, 0.0014113400000000, -0.0008153700000000 ] - [ -0.0085531000000000, 0.0082129700000000, 0.0049605600000000 ] - [ -0.0003786800000000, 0.0003984500000000, 0.0002765000000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001050700000000, -0.0004521000000000, 0.0003397600000000 ] - [ -0.0009561400000000, -0.0004511700000000, 0.0003446100000000 ] - [ 0.0112293300000000, 0.0005300500000000, 0.0004001900000000 ] - [ 0.0007926500000000, 0.0004564800000000, 0.0003389600000000 ] - [ -0.0010888400000000, -0.0000265400000000, 0.0002583800000000 ] - [ -0.0003387600000000, -0.0000314000000000, 0.0002582500000000 ] - [ 0.0009571200000000, 0.0000324700000000, 0.0002493100000000 ] - [ 0.0008158400000000, 0.0000327400000000, 0.0002581800000000 ] - [ -0.0311894400000000, 0.0005388400000000, -0.0006430900000000 ] - [ -0.0010390300000000, 0.0006627000000000, -0.0005581600000000 ] - [ 0.0000334500000000, -0.0006501700000000, -0.0005562700000000 ] - [ 0.0011852400000000, -0.0006601700000000, -0.0005533800000000 ] - [ -0.0011092100000000, 0.0003140500000000, 0.0005235300000000 ] - [ 0.0000674500000000, 0.0010170300000000, -0.0001613800000000 ] - [ -0.0001644700000000, -0.0001113700000000, -0.0003303100000000 ] - [ 0.1967994600000000, 0.0778139700000000, 0.1123329500000000 ] - [ -0.0001435300000000, -0.0001357100000000, -0.0000687800000000 ] - [ 0.0005085100000000, 0.0003613500000000, -0.0003309200000000 ] - [ 0.0007965200000000, -0.0004465500000000, -0.0003329500000000 ] - [ 0.0008063700000000, -0.0004973900000000, -0.0003956800000000 ] - [ 0.0002520700000000, 0.0003009500000000, 0.0002079300000000 ] - [ 0.0015783000000000, -0.0010186800000000, -0.0042722500000000 ] - [ -0.0002873800000000, 0.0002216800000000, 0.0005190800000000 ] - [ 0.0010461600000000, 0.0015479400000000, 0.0050306800000000 ] - [ 0.0010401500000000, 0.0005208500000000, -0.0010434500000000 ] - [ 0.0002840100000000, -0.0002532200000000, 0.0003388800000000 ] - [ 0.0001224300000000, -0.0005288700000000, -0.0001280500000000 ] - [ 0.0001545400000000, -0.0003781900000000, 0.0000156200000000 ] - [ 0.0000143100000000, 0.0006752600000000, 0.0004664800000000 ] - [ -0.0000538900000000, 0.0006701900000000, 0.0004617700000000 ] - [ -0.0030310600000000, -0.0003423900000000, 0.0002972100000000 ] - [ 0.0001477100000000, 0.0001018600000000, -0.0000244900000000 ] - [ 0.0005080600000000, -0.0010522300000000, 0.0017763000000000 ] - [ -0.0002557300000000, -0.0002670600000000, 0.0003882900000000 ] - [ -0.0005177600000000, 0.0001781200000000, -0.0004344200000000 ] - [ -0.0003231700000000, 0.0001284200000000, -0.0003937200000000 ] - [ -0.0026163000000000, 0.0007102900000000, -0.0012117300000000 ] - [ -0.0014112500000000, 0.0000046200000000, -0.0005111700000000 ] - [ 0.0002170000000000, -0.0001708300000000, -0.0000556800000000 ] - [ 0.0008777400000000, -0.0006772100000000, 0.0002117600000000 ] - [ 0.0000094600000000, 0.0004089900000000, 0.0005776100000000 ] - [ 0.0099068300000000, 0.0004561300000000, 0.0005752200000000 ] - [ 0.0004650400000000, -0.0001404500000000, -0.0004605700000000 ] - [ 0.1869556000000000, -0.0713619200000000, -0.1040749400000000 ] - [ -0.0033616000000000, 0.0006584000000000, -0.0003975200000000 ] - [ -0.0002165500000000, 0.0002096800000000, -0.0000974500000000 ] - [ -0.0001143300000000, -0.0004092200000000, 0.0005773400000000 ] - [ 0.0000312100000000, -0.0004071500000000, 0.0005779300000000 ] - [ 0.0001774100000000, 0.0018628500000000, 0.0001874600000000 ] - [ 0.0014817500000000, -0.0032332100000000, 0.0006618300000000 ] - [ -0.0001600500000000, -0.0003266500000000, 0.0001666300000000 ] - [ -0.0001289200000000, -0.0004720100000000, 0.0000232000000000 ] - [ -0.0006878700000000, -0.0005681900000000, -0.0003407600000000 ] - [ -0.0006763700000000, -0.0005192000000000, -0.0002773300000000 ] - [ -0.0001636100000000, -0.0006753300000000, 0.0004662200000000 ] - [ -0.0000682600000000, -0.0006737700000000, 0.0004661600000000 ] - [ 0.0001108600000000, 0.0000745700000000, -0.0003550100000000 ] - [ 0.0003093400000000, 0.0001274500000000, -0.0003976000000000 ] - [ -0.0001019400000000, -0.0010007300000000, -0.0001479100000000 ] - [ 0.0012130500000000, 0.0041134000000000, -0.0006341600000000 ] - [ -0.0001117000000000, -0.0003058500000000, -0.0000121700000000 ] - [ -0.0009767100000000, 0.0004731500000000, 0.0028867300000000 ] - [ 0.0009874200000000, -0.0055628700000000, 0.0012179000000000 ] - [ -0.0010756800000000, 0.0017144600000000, -0.0002458300000000 ] - [ -0.0002976900000000, -0.0002993000000000, -0.0004202600000000 ] - [ -0.0041273700000000, -0.0003428600000000, -0.0003957000000000 ] - [ -0.0011208400000000, 0.0004158500000000, -0.0012278600000000 ] - [ -0.0007192700000000, 0.0000508800000000, -0.0002929700000000 ] - [ 0.0002835000000000, -0.0003876800000000, 0.0006652900000000 ] - [ 0.0006809600000000, -0.0000333300000000, -0.0002619000000000 ] - [ 0.0001154100000000, 0.0003033900000000, -0.0004206300000000 ] - [ 0.0000837300000000, 0.0003008600000000, -0.0004216200000000 ] - [ -0.0000237400000000, -0.0000934700000000, 0.0006723000000000 ] - [ -0.0008919000000000, -0.0000857900000000, 0.0006688400000000 ] - [ -0.0000477600000000, -0.0005179300000000, 0.0001669100000000 ] - [ -0.0002285600000000, -0.0005126000000000, 0.0001699800000000 ] - [ -0.0000145000000000, -0.0003933500000000, -0.0002279400000000 ] - [ -0.0008858700000000, -0.0011713000000000, -0.0031458600000000 ] - [ -0.4695708100000000, -0.0068325800000000, -0.0089889600000000 ] - [ -0.0002840700000000, 0.0000004000000000, 0.0002044100000000 ] - [ 0.0015655600000000, 0.0041152900000000, -0.0012942200000000 ] - [ -0.0004967200000000, -0.0031292900000000, 0.0001631700000000 ] - [ 0.0000191800000000, -0.0000065200000000, 0.0002044200000000 ] - [ 0.0003986400000000, -0.0000008600000000, 0.0002016400000000 ] - [ 0.0035794300000000, 0.0033037600000000, 0.0057123300000000 ] - [ -0.0000566400000000, 0.0003566600000000, 0.0000100600000000 ] - [ -0.0001862500000000, 0.0009357700000000, -0.0003916700000000 ] - [ 0.0425606000000000, -0.0158758300000000, -0.0168252600000000 ] - [ 0.0036693800000000, -0.0026382500000000, -0.0060202300000000 ] - [ 0.0000374700000000, 0.0003362200000000, -0.0002518800000000 ] - [ 0.0012187400000000, -0.0009684400000000, -0.0001610800000000 ] - [ 0.0439972000000000, 0.0160321700000000, 0.0164272200000000 ] - [ 0.0003396100000000, 0.0005356500000000, -0.0001138200000000 ] - [ 0.0003037300000000, 0.0007677300000000, 0.0001509000000000 ] - [ 0.0058757900000000, 0.0001033800000000, 0.0006897100000000 ] - [ 0.0001424100000000, 0.0000883700000000, 0.0006724400000000 ] - [ 0.0043758800000000, 0.0005364400000000, 0.0001727500000000 ] - [ 0.0008200400000000, 0.0005083100000000, 0.0001697400000000 ] - [ -0.0002431900000000, 0.0008607500000000, 0.0000255000000000 ] - [ -0.0002798000000000, 0.0006264000000000, -0.0002409900000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0006607800000000, 0.0006286300000000 ] - [ 0.0000000000000000, -0.0004054200000000, -0.0000676000000000 ] - [ 0.0000000000000000, 0.0116106300000000, -0.0004258400000000 ] - [ 0.0000000000000000, -0.0047488300000000, -0.0008524600000000 ] - [ 0.0000000000000000, -0.0009348100000000, -0.0003057600000000 ] - [ 0.0000000000000000, -0.0002313400000000, 0.0009906400000000 ] - [ 0.0000000000000000, -0.0005063700000000, 0.0035837700000000 ] - [ 0.0000000000000000, -0.0009396600000000, -0.0006265400000000 ] - [ 0.0000000000000000, 0.0156256100000000, 0.0073652700000000 ] - [ 0.0000000000000000, -0.0029443200000000, -0.0011411000000000 ] - [ 0.0000000000000000, -0.0025883700000000, -0.0003989500000000 ] - [ 0.0000000000000000, 0.0033064400000000, -0.0000670600000000 ] - [ -0.0024309200000000, 0.0019427600000000, 0.0007504500000000 ] - [ 0.0019866300000000, -0.0006035700000000, -0.0007500200000000 ] - [ -0.0007813100000000, -0.0006681100000000, -0.0005454200000000 ] - [ 0.0621286000000000, 0.0638911300000000, 0.0610430400000000 ] - [ -0.0005897800000000, -0.0007077200000000, 0.0002701000000000 ] - [ 0.0003922000000000, 0.0005251800000000, -0.0004528900000000 ] - [ 0.0005361900000000, -0.0007354200000000, -0.0003012900000000 ] - [ 0.0005734800000000, -0.0005802200000000, -0.0001310600000000 ] - [ 0.0003185200000000, -0.0000297700000000, 0.0003337200000000 ] - [ 0.0009329100000000, -0.0002697300000000, -0.0016829100000000 ] - [ -0.0003185200000000, -0.0000297700000000, 0.0003337200000000 ] - [ -0.0009329100000000, -0.0002697300000000, -0.0016829100000000 ] - [ 0.0009376200000000, 0.0007377800000000, -0.0013726100000000 ] - [ 0.0001911900000000, -0.0006716700000000, 0.0010240500000000 ] - [ 0.0002294100000000, 0.0001124200000000, 0.0000536400000000 ] - [ 0.0000162900000000, -0.0010634000000000, -0.0000147600000000 ] - [ 0.0000000000000000, 0.0005400500000000, -0.0004664900000000 ] - [ 0.0000000000000000, 0.0045125100000000, 0.0050430800000000 ] - [ 0.0025609400000000, 0.0017374500000000, 0.0005142800000000 ] - [ -0.0005084200000000, -0.0005288700000000, -0.0006254100000000 ] - [ -0.0009376200000000, 0.0007377800000000, -0.0013726100000000 ] - [ -0.0001911900000000, -0.0006716700000000, 0.0010240500000000 ] - [ -0.0006100800000000, 0.0004365300000000, -0.0004783400000000 ] - [ -0.0000699500000000, -0.0001287800000000, -0.0003443400000000 ] - [ 0.0024309200000000, 0.0019427600000000, 0.0007504500000000 ] - [ -0.0019866300000000, -0.0006035700000000, -0.0007500200000000 ] - [ 0.0005897800000000, -0.0007077200000000, 0.0002701000000000 ] - [ -0.0003922000000000, 0.0005251800000000, -0.0004528900000000 ] - [ 0.0000000000000000, -0.0005126600000000, 0.0010754600000000 ] - [ 0.0000000000000000, -0.0058713200000000, 0.0157087000000000 ] - [ 0.0007813100000000, -0.0006681100000000, -0.0005454200000000 ] - [ -0.0621286000000000, 0.0638911300000000, 0.0610430400000000 ] - [ -0.0025609400000000, 0.0017374500000000, 0.0005142800000000 ] - [ 0.0005084200000000, -0.0005288700000000, -0.0006254100000000 ] - [ 0.0000000000000000, 0.0001309500000000, 0.0007865300000000 ] - [ 0.0000000000000000, -0.0008689000000000, 0.0003534700000000 ] - [ -0.0001016000000000, -0.0028616200000000, 0.0001628900000000 ] - [ -0.0005027100000000, -0.0012441600000000, -0.0003803100000000 ] - [ -0.0002294100000000, 0.0001124200000000, 0.0000536400000000 ] - [ -0.0000162900000000, -0.0010634000000000, -0.0000147600000000 ] - [ -0.0005361900000000, -0.0007354200000000, -0.0003012900000000 ] - [ -0.0005734800000000, -0.0005802200000000, -0.0001310600000000 ] - [ 0.0000000000000000, -0.0003792900000000, 0.0002204500000000 ] - [ 0.0000000000000000, -0.0008673800000000, 0.0005588400000000 ] - [ 0.0006100800000000, 0.0004365300000000, -0.0004783400000000 ] - [ 0.0000699500000000, -0.0001287800000000, -0.0003443400000000 ] - [ 0.0001016000000000, -0.0028616200000000, 0.0001628900000000 ] - [ 0.0005027100000000, -0.0012441600000000, -0.0003803100000000 ] - [ -0.0002797400000000, 0.0004692900000000, -0.0004545600000000 ] - [ -0.0006605300000000, -0.0002952100000000, 0.0014106600000000 ] - [ -0.0045696900000000, 0.0063841200000000, -0.0021482400000000 ] - [ 0.0008120000000000, 0.0013826700000000, 0.0009523600000000 ] - [ 0.0000000000000000, 0.0013060700000000, 0.0004436100000000 ] - [ 0.0000000000000000, 0.0141590000000000, -0.0182687200000000 ] - [ -0.0002033400000000, -0.0015635800000000, 0.0006978300000000 ] - [ -0.0009231700000000, 0.0010042700000000, -0.0007134700000000 ] - [ 0.0002033400000000, -0.0015635800000000, 0.0006978300000000 ] - [ 0.0009231700000000, 0.0010042700000000, -0.0007134700000000 ] - [ 0.0000000000000000, -0.0002575300000000, -0.0004826200000000 ] - [ 0.0000000000000000, 0.0008629900000000, -0.0003403200000000 ] - [ 0.0000000000000000, 0.0009893400000000, 0.0004299900000000 ] - [ 0.0000000000000000, -0.0019082700000000, 0.0005119100000000 ] - [ 0.0000000000000000, 0.0005553500000000, 0.0008238600000000 ] - [ 0.0000000000000000, -0.0027921300000000, -0.0031523900000000 ] - [ 0.0002797400000000, 0.0004692900000000, -0.0004545600000000 ] - [ 0.0006605300000000, -0.0002952100000000, 0.0014106600000000 ] - [ 0.0000000000000000, -0.1658597300000000, -0.1420946600000000 ] - [ 0.0000000000000000, 0.0015927100000000, 0.0002587600000000 ] - [ 0.0045696900000000, 0.0063841200000000, -0.0021482400000000 ] - [ -0.0008120000000000, 0.0013826700000000, 0.0009523600000000 ] - [ 0.0000000000000000, 0.0006784300000000, 0.0001843900000000 ] - [ 0.0000000000000000, -0.0007805800000000, 0.0002997700000000 ] - [ 0.0038070900000000, 0.0004540700000000, 0.0042800900000000 ] - [ -0.0008431200000000, 0.0018535600000000, -0.0002119200000000 ] - [ 0.0001055200000000, 0.0027715400000000, -0.0002328400000000 ] - [ -0.0170773900000000, -0.0022504400000000, 0.0048247500000000 ] - [ -0.0038070900000000, 0.0004540700000000, 0.0042800900000000 ] - [ 0.0008431200000000, 0.0018535600000000, -0.0002119200000000 ] - [ -0.0001055200000000, 0.0027715400000000, -0.0002328400000000 ] - [ 0.0170773900000000, -0.0022504400000000, 0.0048247500000000 ] - [ 0.0004580000000000, 0.0005302900000000, 0.0000522100000000 ] - [ 0.0002846800000000, 0.0011352600000000, -0.0002880200000000 ] - [ 0.0000000000000000, -0.0034269900000000, -0.0023884600000000 ] - [ 0.0000000000000000, 0.0016162500000000, 0.0013185100000000 ] - [ 0.0000000000000000, -0.0056173000000000, -0.0001283200000000 ] - [ 0.0000000000000000, 0.0032835300000000, 0.0001383800000000 ] - [ -0.0004580000000000, 0.0005302900000000, 0.0000522100000000 ] - [ -0.0002846800000000, 0.0011352600000000, -0.0002880200000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0002467000000000, 0.0000544700000000 ] - [ 0.0000000000000000, -0.0004930200000000, 0.0007649200000000 ] - [ 0.0000000000000000, -0.0120138400000000, 0.0004639300000000 ] - [ 0.0000000000000000, 0.0056298700000000, 0.0015122500000000 ] - [ 0.0000000000000000, 0.0008798300000000, 0.0008230500000000 ] - [ 0.0000000000000000, 0.0001781500000000, -0.0004792200000000 ] - [ 0.0000000000000000, 0.0005614400000000, -0.0030872300000000 ] - [ 0.0000000000000000, 0.0010080400000000, 0.0011405300000000 ] - [ 0.0000000000000000, -0.0145502200000000, -0.0086166800000000 ] - [ 0.0000000000000000, 0.0042670300000000, 0.0000196300000000 ] - [ 0.0000000000000000, 0.0012829400000000, -0.0007081700000000 ] - [ 0.0000000000000000, -0.0046079800000000, -0.0010245600000000 ] - [ 0.0039394700000000, -0.0009399200000000, -0.0014352500000000 ] - [ -0.0005055300000000, 0.0016262700000000, 0.0000765800000000 ] - [ 0.0001485600000000, 0.0004150300000000, -0.0002471300000000 ] - [ -0.0613071900000000, -0.0658549700000000, -0.0609212900000000 ] - [ 0.0002270100000000, 0.0003990500000000, -0.0003924300000000 ] - [ -0.0007644300000000, -0.0008429400000000, 0.0003371900000000 ] - [ 0.0009459700000000, -0.0002813000000000, -0.0003715000000000 ] - [ 0.0009045600000000, -0.0004390800000000, -0.0005383500000000 ] - [ 0.0002211700000000, 0.0005514900000000, 0.0003910500000000 ] - [ -0.0004100700000000, 0.0008064500000000, 0.0024590600000000 ] - [ -0.0002211700000000, 0.0005514900000000, 0.0003910500000000 ] - [ 0.0004100700000000, 0.0008064500000000, 0.0024590600000000 ] - [ -0.0003987200000000, -0.0012612900000000, 0.0021053200000000 ] - [ 0.0003491800000000, 0.0001498800000000, -0.0002943800000000 ] - [ 0.0000538100000000, -0.0009654800000000, -0.0000142200000000 ] - [ 0.0002676000000000, 0.0002136500000000, 0.0000544400000000 ] - [ 0.0000000000000000, 0.0008092500000000, 0.0014023300000000 ] - [ 0.0000000000000000, -0.0031074500000000, -0.0041009900000000 ] - [ -0.0022266800000000, -0.0014406900000000, -0.0006396000000000 ] - [ 0.0008699200000000, 0.0008395400000000, 0.0005007100000000 ] - [ 0.0003987200000000, -0.0012612900000000, 0.0021053200000000 ] - [ -0.0003491800000000, 0.0001498800000000, -0.0002943800000000 ] - [ -0.0000186900000000, -0.0001829600000000, -0.0003109300000000 ] - [ -0.0005628000000000, 0.0003847600000000, -0.0004468700000000 ] - [ -0.0039394700000000, -0.0009399200000000, -0.0014352500000000 ] - [ 0.0005055300000000, 0.0016262700000000, 0.0000765800000000 ] - [ -0.0002270100000000, 0.0003990500000000, -0.0003924300000000 ] - [ 0.0007644300000000, -0.0008429400000000, 0.0003371900000000 ] - [ 0.0000000000000000, 0.0013316800000000, 0.0000767500000000 ] - [ 0.0000000000000000, 0.0068552800000000, -0.0144173500000000 ] - [ -0.0001485600000000, 0.0004150300000000, -0.0002471300000000 ] - [ 0.0613071900000000, -0.0658549700000000, -0.0609212900000000 ] - [ 0.0022266800000000, -0.0014406900000000, -0.0006396000000000 ] - [ -0.0008699200000000, 0.0008395400000000, 0.0005007100000000 ] - [ 0.0000000000000000, -0.0009466800000000, 0.0003714500000000 ] - [ 0.0000000000000000, 0.0000567500000000, 0.0008045500000000 ] - [ 0.0003926900000000, 0.0037212400000000, -0.0001254700000000 ] - [ 0.0007529700000000, 0.0021404600000000, 0.0004036300000000 ] - [ -0.0000538100000000, -0.0009654800000000, -0.0000142200000000 ] - [ -0.0002676000000000, 0.0002136500000000, 0.0000544400000000 ] - [ -0.0009459700000000, -0.0002813000000000, -0.0003715000000000 ] - [ -0.0009045600000000, -0.0004390800000000, -0.0005383500000000 ] - [ 0.0000000000000000, -0.0009739800000000, 0.0007210400000000 ] - [ 0.0000000000000000, -0.0004783800000000, 0.0003710400000000 ] - [ 0.0000186900000000, -0.0001829600000000, -0.0003109300000000 ] - [ 0.0005628000000000, 0.0003847600000000, -0.0004468700000000 ] - [ -0.0003926900000000, 0.0037212400000000, -0.0001254700000000 ] - [ -0.0007529700000000, 0.0021404600000000, 0.0004036300000000 ] - [ 0.0001841900000000, -0.0011643000000000, 0.0002147700000000 ] - [ 0.0005794000000000, -0.0004087900000000, -0.0016853200000000 ] - [ 0.0040385200000000, -0.0078529200000000, 0.0020866100000000 ] - [ -0.0013789800000000, -0.0028014400000000, -0.0010271300000000 ] - [ 0.0000000000000000, -0.0019104500000000, -0.0012858400000000 ] - [ 0.0000000000000000, -0.0145476800000000, 0.0170882900000000 ] - [ -0.0011983200000000, 0.0015872500000000, -0.0012610000000000 ] - [ -0.0004777500000000, -0.0009839300000000, 0.0001554900000000 ] - [ 0.0011983200000000, 0.0015872500000000, -0.0012610000000000 ] - [ 0.0004777500000000, -0.0009839300000000, 0.0001554900000000 ] - [ 0.0000000000000000, 0.0008633000000000, -0.0003660900000000 ] - [ 0.0000000000000000, -0.0002682000000000, -0.0005028500000000 ] - [ 0.0000000000000000, -0.0011742500000000, 0.0009105100000000 ] - [ 0.0000000000000000, 0.0017344200000000, 0.0008128200000000 ] - [ 0.0000000000000000, -0.0015897300000000, -0.0004923200000000 ] - [ 0.0000000000000000, 0.0017503600000000, 0.0034614500000000 ] - [ -0.0001841900000000, -0.0011643000000000, 0.0002147700000000 ] - [ -0.0005794000000000, -0.0004087900000000, -0.0016853200000000 ] - [ 0.0000000000000000, 0.1706175700000000, 0.1416979700000000 ] - [ 0.0000000000000000, -0.0015922100000000, 0.0001553000000000 ] - [ -0.0040385200000000, -0.0078529200000000, 0.0020866100000000 ] - [ 0.0013789800000000, -0.0028014400000000, -0.0010271300000000 ] - [ 0.0000000000000000, -0.0006888700000000, 0.0002250000000000 ] - [ 0.0000000000000000, 0.0007787100000000, 0.0001023500000000 ] - [ -0.0039473500000000, 0.0002337400000000, -0.0045585600000000 ] - [ 0.0007423500000000, -0.0011541400000000, -0.0000280800000000 ] - [ -0.0015106200000000, -0.0028025100000000, -0.0003177000000000 ] - [ 0.0158301400000000, 0.0021484200000000, -0.0054135100000000 ] - [ 0.0039473500000000, 0.0002337400000000, -0.0045585600000000 ] - [ -0.0007423500000000, -0.0011541400000000, -0.0000280800000000 ] - [ 0.0015106200000000, -0.0028025100000000, -0.0003177000000000 ] - [ -0.0158301400000000, 0.0021484200000000, -0.0054135100000000 ] - [ 0.0001277600000000, 0.0008655000000000, -0.0001432700000000 ] - [ 0.0003041400000000, 0.0002586200000000, 0.0001942500000000 ] - [ 0.0000000000000000, 0.0036456700000000, 0.0037871200000000 ] - [ 0.0000000000000000, -0.0014357900000000, 0.0000315100000000 ] - [ 0.0000000000000000, 0.0067100100000000, 0.0004666900000000 ] - [ 0.0000000000000000, -0.0022642600000000, 0.0002021400000000 ] - [ -0.0001277600000000, 0.0008655000000000, -0.0001432700000000 ] - [ -0.0003041400000000, 0.0002586200000000, 0.0001942500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002822100000000, -0.0008542800000000 ] - [ 0.0000000000000000, -0.0008767400000000, -0.0013685700000000 ] - [ 0.0000000000000000, 0.0042853200000000, 0.0093363100000000 ] - [ 0.0000000000000000, 0.0036864100000000, 0.0037451400000000 ] - [ 0.0000000000000000, -0.0010839600000000, 0.0001168500000000 ] - [ 0.0000000000000000, 0.0001836800000000, 0.0001221700000000 ] - [ 0.0000000000000000, 0.0019215000000000, -0.0012611600000000 ] - [ 0.0000000000000000, -0.0006914300000000, -0.0000402800000000 ] - [ 0.0000000000000000, 0.0133406400000000, 0.0116426200000000 ] - [ 0.0000000000000000, 0.0006813200000000, 0.0012285200000000 ] - [ 0.0000000000000000, -0.0005083800000000, -0.0020250200000000 ] - [ 0.0000000000000000, -0.0016082700000000, -0.0045445500000000 ] - [ 0.0001128700000000, 0.0012652600000000, 0.0004803400000000 ] - [ 0.0007921400000000, 0.0002726200000000, -0.0003868600000000 ] - [ -0.0000886300000000, -0.0000598600000000, -0.0001955300000000 ] - [ 0.0867156000000000, 0.0604926500000000, 0.0980635700000000 ] - [ 0.0000921300000000, 0.0002028600000000, -0.0003889700000000 ] - [ 0.0004037900000000, 0.0003018300000000, -0.0008260300000000 ] - [ 0.0007018900000000, -0.0005218200000000, -0.0005371700000000 ] - [ 0.0012991600000000, -0.0001088100000000, -0.0008072800000000 ] - [ 0.0002565100000000, 0.0004262200000000, 0.0007135900000000 ] - [ 0.0007034200000000, -0.0007083700000000, -0.0021382000000000 ] - [ -0.0002565100000000, 0.0004262200000000, 0.0007135900000000 ] - [ -0.0007034200000000, -0.0007083700000000, -0.0021382000000000 ] - [ 0.0004320300000000, 0.0001607900000000, -0.0014107400000000 ] - [ 0.0002719900000000, -0.0000531600000000, -0.0000885400000000 ] - [ 0.0000680500000000, -0.0007808200000000, -0.0003652000000000 ] - [ 0.0001614500000000, -0.0003042400000000, -0.0001112700000000 ] - [ 0.0000000000000000, 0.0005243600000000, 0.0001857900000000 ] - [ 0.0000000000000000, -0.0010033100000000, -0.0037670100000000 ] - [ 0.0031165500000000, 0.0011076100000000, 0.0008229500000000 ] - [ 0.0005863000000000, 0.0003672100000000, 0.0004406400000000 ] - [ -0.0004320300000000, 0.0001607900000000, -0.0014107400000000 ] - [ -0.0002719900000000, -0.0000531600000000, -0.0000885400000000 ] - [ -0.0008063400000000, 0.0002942900000000, -0.0007763200000000 ] - [ -0.0004730900000000, 0.0001630600000000, -0.0005696100000000 ] - [ -0.0001128700000000, 0.0012652600000000, 0.0004803400000000 ] - [ -0.0007921400000000, 0.0002726200000000, -0.0003868600000000 ] - [ -0.0000921300000000, 0.0002028600000000, -0.0003889700000000 ] - [ -0.0004037900000000, 0.0003018300000000, -0.0008260300000000 ] - [ 0.0000000000000000, 0.0002089500000000, 0.0010549400000000 ] - [ 0.0000000000000000, 0.0151090900000000, -0.0042250200000000 ] - [ 0.0000886300000000, -0.0000598600000000, -0.0001955300000000 ] - [ -0.0867156000000000, 0.0604926500000000, 0.0980635700000000 ] - [ -0.0031165500000000, 0.0011076100000000, 0.0008229500000000 ] - [ -0.0005863000000000, 0.0003672100000000, 0.0004406400000000 ] - [ 0.0000000000000000, -0.0007557100000000, -0.0000147500000000 ] - [ 0.0000000000000000, -0.0005564400000000, 0.0002841000000000 ] - [ 0.0002366600000000, 0.0010434300000000, -0.0002397900000000 ] - [ 0.0014316600000000, -0.0024786300000000, 0.0012645400000000 ] - [ -0.0000680500000000, -0.0007808200000000, -0.0003652000000000 ] - [ -0.0001614500000000, -0.0003042400000000, -0.0001112700000000 ] - [ -0.0007018900000000, -0.0005218200000000, -0.0005371700000000 ] - [ -0.0012991600000000, -0.0001088100000000, -0.0008072800000000 ] - [ 0.0000000000000000, -0.0004072400000000, -0.0002882900000000 ] - [ 0.0000000000000000, -0.0007939600000000, 0.0004491800000000 ] - [ 0.0008063400000000, 0.0002942900000000, -0.0007763200000000 ] - [ 0.0004730900000000, 0.0001630600000000, -0.0005696100000000 ] - [ -0.0002366600000000, 0.0010434300000000, -0.0002397900000000 ] - [ -0.0014316600000000, -0.0024786300000000, 0.0012645400000000 ] - [ 0.0003632100000000, -0.0011088800000000, 0.0001238500000000 ] - [ -0.0006169900000000, 0.0001037900000000, 0.0018516000000000 ] - [ -0.0005194900000000, -0.0023267000000000, -0.0015670500000000 ] - [ -0.0012721400000000, 0.0009087800000000, -0.0013014100000000 ] - [ 0.0000000000000000, 0.0004174700000000, -0.0008444500000000 ] - [ 0.0000000000000000, -0.0182399200000000, 0.0098031200000000 ] - [ -0.0007381200000000, -0.0001007600000000, 0.0014198000000000 ] - [ -0.0006334300000000, -0.0002334100000000, 0.0002919000000000 ] - [ 0.0007381200000000, -0.0001007600000000, 0.0014198000000000 ] - [ 0.0006334300000000, -0.0002334100000000, 0.0002919000000000 ] - [ 0.0000000000000000, 0.0002639100000000, 0.0005741100000000 ] - [ 0.0000000000000000, 0.0005862200000000, -0.0000114900000000 ] - [ 0.0000000000000000, -0.0003346000000000, 0.0016810400000000 ] - [ 0.0000000000000000, -0.0002836000000000, 0.0034184800000000 ] - [ 0.0000000000000000, -0.0003321300000000, 0.0006854000000000 ] - [ 0.0000000000000000, 0.0003368100000000, 0.0034567000000000 ] - [ -0.0003632100000000, -0.0011088800000000, 0.0001238500000000 ] - [ 0.0006169900000000, 0.0001037900000000, 0.0018516000000000 ] - [ 0.0000000000000000, -0.1443140900000000, -0.2176060000000000 ] - [ 0.0000000000000000, 0.0000541000000000, -0.0004232300000000 ] - [ 0.0005194900000000, -0.0023267000000000, -0.0015670500000000 ] - [ 0.0012721400000000, 0.0009087800000000, -0.0013014100000000 ] - [ 0.0000000000000000, 0.0000152700000000, 0.0007171900000000 ] - [ 0.0000000000000000, -0.0000988300000000, 0.0011216900000000 ] - [ 0.0052848200000000, 0.0032727200000000, 0.0038647400000000 ] - [ 0.0006206000000000, -0.0005815600000000, -0.0003713000000000 ] - [ -0.0007957900000000, -0.0004576300000000, -0.0007840100000000 ] - [ -0.0183489600000000, 0.0052421700000000, -0.0009443000000000 ] - [ -0.0052848200000000, 0.0032727200000000, 0.0038647400000000 ] - [ -0.0006206000000000, -0.0005815600000000, -0.0003713000000000 ] - [ 0.0007957900000000, -0.0004576300000000, -0.0007840100000000 ] - [ 0.0183489600000000, 0.0052421700000000, -0.0009443000000000 ] - [ 0.0002918200000000, 0.0008998900000000, 0.0007262300000000 ] - [ -0.0000460000000000, 0.0004676900000000, 0.0007210400000000 ] - [ 0.0000000000000000, -0.0023117400000000, -0.0049093800000000 ] - [ 0.0000000000000000, -0.0001065200000000, -0.0006352000000000 ] - [ 0.0000000000000000, -0.0022492100000000, -0.0005554900000000 ] - [ 0.0000000000000000, 0.0008868100000000, -0.0001995400000000 ] - [ -0.0002918200000000, 0.0008998900000000, 0.0007262300000000 ] - [ 0.0000460000000000, 0.0004676900000000, 0.0007210400000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0006218200000000, 0.0015333800000000 ] - [ 0.0000000000000000, -0.0000246500000000, 0.0020608000000000 ] - [ 0.0000000000000000, -0.0035856100000000, -0.0086667600000000 ] - [ 0.0000000000000000, -0.0027804300000000, -0.0030861700000000 ] - [ 0.0000000000000000, 0.0010316100000000, 0.0003967900000000 ] - [ 0.0000000000000000, -0.0002412300000000, 0.0003889300000000 ] - [ 0.0000000000000000, -0.0018279400000000, 0.0017580800000000 ] - [ 0.0000000000000000, 0.0007573200000000, 0.0005629500000000 ] - [ 0.0000000000000000, -0.0122211300000000, -0.0129078500000000 ] - [ 0.0000000000000000, 0.0006404900000000, -0.0023503400000000 ] - [ 0.0000000000000000, -0.0007940400000000, 0.0009108400000000 ] - [ 0.0000000000000000, 0.0002946000000000, 0.0034334500000000 ] - [ 0.0013886100000000, -0.0002565800000000, -0.0011590900000000 ] - [ 0.0006868300000000, 0.0007499200000000, -0.0002853700000000 ] - [ -0.0005401600000000, -0.0001921700000000, -0.0005944300000000 ] - [ -0.0833666900000000, -0.0582723800000000, -0.0990815500000000 ] - [ -0.0004516700000000, -0.0005063300000000, 0.0002633100000000 ] - [ -0.0007759900000000, -0.0006204500000000, 0.0007049900000000 ] - [ 0.0007841200000000, -0.0004919300000000, -0.0001376700000000 ] - [ 0.0001831200000000, -0.0009083700000000, 0.0001351900000000 ] - [ 0.0002818600000000, 0.0000983300000000, 0.0000223200000000 ] - [ -0.0001855800000000, 0.0012389500000000, 0.0029122000000000 ] - [ -0.0002818600000000, 0.0000983300000000, 0.0000223200000000 ] - [ 0.0001855800000000, 0.0012389500000000, 0.0029122000000000 ] - [ 0.0001052800000000, -0.0006854700000000, 0.0021438800000000 ] - [ 0.0002678200000000, -0.0004690000000000, 0.0008180000000000 ] - [ 0.0002146500000000, -0.0000749600000000, 0.0004035600000000 ] - [ 0.0001212700000000, -0.0005490900000000, 0.0001504500000000 ] - [ 0.0000000000000000, 0.0008262400000000, 0.0007497300000000 ] - [ 0.0000000000000000, 0.0023397300000000, 0.0047028000000000 ] - [ -0.0027781300000000, -0.0008075100000000, -0.0009465500000000 ] - [ -0.0002257400000000, -0.0000586100000000, -0.0005659000000000 ] - [ -0.0001052800000000, -0.0006854700000000, 0.0021438800000000 ] - [ -0.0002678200000000, -0.0004690000000000, 0.0008180000000000 ] - [ 0.0001805900000000, -0.0000425900000000, -0.0000120400000000 ] - [ -0.0001574100000000, 0.0000917300000000, -0.0002207500000000 ] - [ -0.0013886100000000, -0.0002565800000000, -0.0011590900000000 ] - [ -0.0006868300000000, 0.0007499200000000, -0.0002853700000000 ] - [ 0.0004516700000000, -0.0005063300000000, 0.0002633100000000 ] - [ 0.0007759900000000, -0.0006204500000000, 0.0007049900000000 ] - [ 0.0000000000000000, 0.0006116700000000, 0.0000966700000000 ] - [ 0.0000000000000000, -0.0143213300000000, 0.0052293300000000 ] - [ 0.0005401600000000, -0.0001921700000000, -0.0005944300000000 ] - [ 0.0833666900000000, -0.0582723800000000, -0.0990815500000000 ] - [ 0.0027781300000000, -0.0008075100000000, -0.0009465500000000 ] - [ 0.0002257400000000, -0.0000586100000000, -0.0005659000000000 ] - [ 0.0000000000000000, -0.0000627900000000, 0.0011704200000000 ] - [ 0.0000000000000000, -0.0002567900000000, 0.0008731900000000 ] - [ 0.0000432300000000, -0.0001890900000000, 0.0002756200000000 ] - [ -0.0011627000000000, 0.0033685800000000, -0.0012341400000000 ] - [ -0.0002146500000000, -0.0000749600000000, 0.0004035600000000 ] - [ -0.0001212700000000, -0.0005490900000000, 0.0001504500000000 ] - [ -0.0007841200000000, -0.0004919300000000, -0.0001376700000000 ] - [ -0.0001831200000000, -0.0009083700000000, 0.0001351900000000 ] - [ 0.0000000000000000, -0.0009466300000000, 0.0012348300000000 ] - [ 0.0000000000000000, -0.0005538100000000, 0.0004858400000000 ] - [ -0.0001805900000000, -0.0000425900000000, -0.0000120400000000 ] - [ 0.0001574100000000, 0.0000917300000000, -0.0002207500000000 ] - [ -0.0000432300000000, -0.0001890900000000, 0.0002756200000000 ] - [ 0.0011627000000000, 0.0033685800000000, -0.0012341400000000 ] - [ -0.0004543300000000, 0.0003990400000000, -0.0003685800000000 ] - [ 0.0005337100000000, -0.0008061000000000, -0.0021244100000000 ] - [ -0.0000531900000000, 0.0009423300000000, 0.0014812400000000 ] - [ 0.0006972000000000, -0.0023299700000000, 0.0012207100000000 ] - [ 0.0000000000000000, -0.0010270200000000, 0.0000041500000000 ] - [ 0.0000000000000000, 0.0179059700000000, -0.0106817600000000 ] - [ -0.0006595800000000, 0.0001214100000000, -0.0019761500000000 ] - [ -0.0007628300000000, 0.0002487700000000, -0.0008442300000000 ] - [ 0.0006595800000000, 0.0001214100000000, -0.0019761500000000 ] - [ 0.0007628300000000, 0.0002487700000000, -0.0008442300000000 ] - [ 0.0000000000000000, 0.0003458900000000, -0.0014236600000000 ] - [ 0.0000000000000000, 0.0000142400000000, -0.0008342800000000 ] - [ 0.0000000000000000, 0.0001480000000000, -0.0003400800000000 ] - [ 0.0000000000000000, 0.0001139800000000, -0.0020806700000000 ] - [ 0.0000000000000000, -0.0006980700000000, -0.0003477100000000 ] - [ 0.0000000000000000, -0.0013582300000000, -0.0031184100000000 ] - [ 0.0004543300000000, 0.0003990400000000, -0.0003685800000000 ] - [ -0.0005337100000000, -0.0008061000000000, -0.0021244100000000 ] - [ 0.0000000000000000, 0.1395205500000000, 0.2190387800000000 ] - [ 0.0000000000000000, -0.0000546400000000, 0.0008292000000000 ] - [ 0.0000531900000000, 0.0009423300000000, 0.0014812400000000 ] - [ -0.0006972000000000, -0.0023299700000000, 0.0012207100000000 ] - [ 0.0000000000000000, -0.0000265600000000, -0.0003112700000000 ] - [ 0.0000000000000000, 0.0000988400000000, -0.0007239200000000 ] - [ -0.0054501000000000, -0.0026140700000000, -0.0041665100000000 ] - [ -0.0007221600000000, 0.0012836800000000, 0.0001299500000000 ] - [ -0.0006029900000000, 0.0004365400000000, 0.0002303300000000 ] - [ 0.0170739300000000, -0.0052805300000000, 0.0003000700000000 ] - [ 0.0054501000000000, -0.0026140700000000, -0.0041665100000000 ] - [ 0.0007221600000000, 0.0012836800000000, 0.0001299500000000 ] - [ 0.0006029900000000, 0.0004365400000000, 0.0002303300000000 ] - [ -0.0170739300000000, -0.0052805300000000, 0.0003000700000000 ] - [ 0.0002883500000000, 0.0004968400000000, -0.0008110400000000 ] - [ 0.0006280500000000, 0.0009294600000000, -0.0008093000000000 ] - [ 0.0000000000000000, 0.0025170900000000, 0.0062923600000000 ] - [ 0.0000000000000000, 0.0002840700000000, 0.0019809000000000 ] - [ 0.0000000000000000, 0.0033243300000000, 0.0008923000000000 ] - [ 0.0000000000000000, 0.0001272800000000, 0.0005389600000000 ] - [ -0.0002883500000000, 0.0004968400000000, -0.0008110400000000 ] - [ -0.0006280500000000, 0.0009294600000000, -0.0008093000000000 ]