# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6d507869-2aa1-4538-b379-1213d4f44631/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 NbBi4BrO8 / Pbcn (60) / materials id 561382](https://mdr.nims.go.jp/datasets/c60e6bc1-0fc1-4126-8c1d-cc19abcdf066) ## 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: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.511705250000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.558106270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 28.983056650000002 ] # c points: - symbol: Nb # 1 coordinates: [ 0.000000000000000, 0.009077110000000, 0.250000000000000 ] mass: 92.906380 - symbol: Nb # 2 coordinates: [ 0.000000000000000, 0.990922890000000, 0.750000000000000 ] mass: 92.906380 - symbol: Nb # 3 coordinates: [ 0.500000000000000, 0.509077110000000, 0.250000000000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.500000000000000, 0.490922890000000, 0.750000000000000 ] mass: 92.906380 - symbol: Bi # 5 coordinates: [ 0.491774970000000, 0.506802050000000, 0.570336210000000 ] mass: 208.980400 - symbol: Bi # 6 coordinates: [ 0.491774970000000, 0.493197950000000, 0.070336210000000 ] mass: 208.980400 - symbol: Bi # 7 coordinates: [ 0.517899470000000, 0.952352200000000, 0.158546080000000 ] mass: 208.980400 - symbol: Bi # 8 coordinates: [ 0.008225030000000, 0.993197950000000, 0.070336210000000 ] mass: 208.980400 - symbol: Bi # 9 coordinates: [ 0.508225030000000, 0.506802050000000, 0.929663790000000 ] mass: 208.980400 - symbol: Bi # 10 coordinates: [ 0.517899470000000, 0.047647800000000, 0.658546080000000 ] mass: 208.980400 - symbol: Bi # 11 coordinates: [ 0.017899470000000, 0.452352200000000, 0.341453920000000 ] mass: 208.980400 - symbol: Bi # 12 coordinates: [ 0.017899470000000, 0.547647800000000, 0.841453920000000 ] mass: 208.980400 - symbol: Bi # 13 coordinates: [ 0.991774970000000, 0.006802050000000, 0.929663790000000 ] mass: 208.980400 - symbol: Bi # 14 coordinates: [ 0.982100530000000, 0.452352200000000, 0.158546080000000 ] mass: 208.980400 - symbol: Bi # 15 coordinates: [ 0.991774970000000, 0.993197950000000, 0.429663790000000 ] mass: 208.980400 - symbol: Bi # 16 coordinates: [ 0.508225030000000, 0.493197950000000, 0.429663790000000 ] mass: 208.980400 - symbol: Bi # 17 coordinates: [ 0.482100530000000, 0.952352200000000, 0.341453920000000 ] mass: 208.980400 - symbol: Bi # 18 coordinates: [ 0.008225030000000, 0.006802050000000, 0.570336210000000 ] mass: 208.980400 - symbol: Bi # 19 coordinates: [ 0.482100530000000, 0.047647800000000, 0.841453920000000 ] mass: 208.980400 - symbol: Bi # 20 coordinates: [ 0.982100530000000, 0.547647800000000, 0.658546080000000 ] mass: 208.980400 - symbol: Br # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 - symbol: Br # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 - symbol: Br # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 - symbol: O # 25 coordinates: [ 0.246542240000000, 0.298382690000000, 0.232719860000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.749426170000000, 0.753770450000000, 0.106587280000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.604694000000000, 0.576668100000000, 0.185684240000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.395306000000000, 0.423331900000000, 0.814315760000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.395306000000000, 0.576668100000000, 0.314315760000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.751980250000000, 0.757154400000000, 0.891018410000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.753457760000000, 0.298382690000000, 0.267280140000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.746542240000000, 0.798382690000000, 0.267280140000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.895306000000000, 0.076668100000000, 0.185684240000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.251980250000000, 0.742845600000000, 0.108981590000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.750573830000000, 0.253770450000000, 0.106587280000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.248019750000000, 0.757154400000000, 0.608981590000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.250573830000000, 0.753770450000000, 0.393412720000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.748019750000000, 0.257154400000000, 0.891018410000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.246542240000000, 0.701617310000000, 0.732719860000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.753457760000000, 0.701617310000000, 0.767280140000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.751980250000000, 0.242845600000000, 0.391018410000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.746542240000000, 0.201617310000000, 0.767280140000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.750573830000000, 0.746229550000000, 0.606587280000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.250573830000000, 0.246229550000000, 0.893412720000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.104694000000000, 0.923331900000000, 0.814315760000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.253457760000000, 0.201617310000000, 0.732719860000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.895306000000000, 0.923331900000000, 0.685684240000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.748019750000000, 0.742845600000000, 0.391018410000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.104694000000000, 0.076668100000000, 0.314315760000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.253457760000000, 0.798382690000000, 0.232719860000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.604694000000000, 0.423331900000000, 0.685684240000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.749426170000000, 0.246229550000000, 0.606587280000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.248019750000000, 0.242845600000000, 0.108981590000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.249426170000000, 0.253770450000000, 0.393412720000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.249426170000000, 0.746229550000000, 0.893412720000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.251980250000000, 0.257154400000000, 0.608981590000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.181432053174469, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.179917394778420, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.034502917068963 ] # c*unit_cell: lattice: - [ 5.511705250000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.558106270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 28.983056650000002 ] # c points: - symbol: Nb # 1 coordinates: [ 0.000000000000000, 0.009077110000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.000000000000000, 0.990922890000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.500000000000000, 0.509077110000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.500000000000000, 0.490922890000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 4 - symbol: Bi # 5 coordinates: [ 0.491774970000000, 0.506802050000000, 0.570336210000000 ] mass: 208.980400 reduced_to: 5 - symbol: Bi # 6 coordinates: [ 0.491774970000000, 0.493197950000000, 0.070336210000000 ] mass: 208.980400 reduced_to: 6 - symbol: Bi # 7 coordinates: [ 0.517899470000000, 0.952352200000000, 0.158546080000000 ] mass: 208.980400 reduced_to: 7 - symbol: Bi # 8 coordinates: [ 0.008225030000000, 0.993197950000000, 0.070336210000000 ] mass: 208.980400 reduced_to: 8 - symbol: Bi # 9 coordinates: [ 0.508225030000000, 0.506802050000000, 0.929663790000000 ] mass: 208.980400 reduced_to: 9 - symbol: Bi # 10 coordinates: [ 0.517899470000000, 0.047647800000000, 0.658546080000000 ] mass: 208.980400 reduced_to: 10 - symbol: Bi # 11 coordinates: [ 0.017899470000000, 0.452352200000000, 0.341453920000000 ] mass: 208.980400 reduced_to: 11 - symbol: Bi # 12 coordinates: [ 0.017899470000000, 0.547647800000000, 0.841453920000000 ] mass: 208.980400 reduced_to: 12 - symbol: Bi # 13 coordinates: [ 0.991774970000000, 0.006802050000000, 0.929663790000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 14 coordinates: [ 0.982100530000000, 0.452352200000000, 0.158546080000000 ] mass: 208.980400 reduced_to: 14 - symbol: Bi # 15 coordinates: [ 0.991774970000000, 0.993197950000000, 0.429663790000000 ] mass: 208.980400 reduced_to: 15 - symbol: Bi # 16 coordinates: [ 0.508225030000000, 0.493197950000000, 0.429663790000000 ] mass: 208.980400 reduced_to: 16 - symbol: Bi # 17 coordinates: [ 0.482100530000000, 0.952352200000000, 0.341453920000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 18 coordinates: [ 0.008225030000000, 0.006802050000000, 0.570336210000000 ] mass: 208.980400 reduced_to: 18 - symbol: Bi # 19 coordinates: [ 0.482100530000000, 0.047647800000000, 0.841453920000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.982100530000000, 0.547647800000000, 0.658546080000000 ] mass: 208.980400 reduced_to: 20 - symbol: Br # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 22 - symbol: Br # 23 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.246542240000000, 0.298382690000000, 0.232719860000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.749426170000000, 0.753770450000000, 0.106587280000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.604694000000000, 0.576668100000000, 0.185684240000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.395306000000000, 0.423331900000000, 0.814315760000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.395306000000000, 0.576668100000000, 0.314315760000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.751980250000000, 0.757154400000000, 0.891018410000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.753457760000000, 0.298382690000000, 0.267280140000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.746542240000000, 0.798382690000000, 0.267280140000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.895306000000000, 0.076668100000000, 0.185684240000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.251980250000000, 0.742845600000000, 0.108981590000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.750573830000000, 0.253770450000000, 0.106587280000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.248019750000000, 0.757154400000000, 0.608981590000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.250573830000000, 0.753770450000000, 0.393412720000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.748019750000000, 0.257154400000000, 0.891018410000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.246542240000000, 0.701617310000000, 0.732719860000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.753457760000000, 0.701617310000000, 0.767280140000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.751980250000000, 0.242845600000000, 0.391018410000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.746542240000000, 0.201617310000000, 0.767280140000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.750573830000000, 0.746229550000000, 0.606587280000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.250573830000000, 0.246229550000000, 0.893412720000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.104694000000000, 0.923331900000000, 0.814315760000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.253457760000000, 0.201617310000000, 0.732719860000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.895306000000000, 0.923331900000000, 0.685684240000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.748019750000000, 0.742845600000000, 0.391018410000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.104694000000000, 0.076668100000000, 0.314315760000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.253457760000000, 0.798382690000000, 0.232719860000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.604694000000000, 0.423331900000000, 0.685684240000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.749426170000000, 0.246229550000000, 0.606587280000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.248019750000000, 0.242845600000000, 0.108981590000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.249426170000000, 0.253770450000000, 0.393412720000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.249426170000000, 0.746229550000000, 0.893412720000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.251980250000000, 0.257154400000000, 0.608981590000000 ] mass: 15.999400 reduced_to: 56supercell: lattice: - [ 11.023410500000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.558106270000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 28.983056650000002 ] # c points: - symbol: Nb # 1 coordinates: [ 0.000000000000000, 0.009077110000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.500000000000000, 0.009077110000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 3 coordinates: [ 0.000000000000000, 0.990922890000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.500000000000000, 0.990922890000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 5 coordinates: [ 0.250000000000000, 0.509077110000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.750000000000000, 0.509077110000000, 0.250000000000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 7 coordinates: [ 0.250000000000000, 0.490922890000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.750000000000000, 0.490922890000000, 0.750000000000000 ] mass: 92.906380 reduced_to: 7 - symbol: Bi # 9 coordinates: [ 0.245887485000000, 0.506802050000000, 0.570336210000000 ] mass: 208.980400 reduced_to: 9 - symbol: Bi # 10 coordinates: [ 0.745887485000000, 0.506802050000000, 0.570336210000000 ] mass: 208.980400 reduced_to: 9 - symbol: Bi # 11 coordinates: [ 0.245887485000000, 0.493197950000000, 0.070336210000000 ] mass: 208.980400 reduced_to: 11 - symbol: Bi # 12 coordinates: [ 0.745887485000000, 0.493197950000000, 0.070336210000000 ] mass: 208.980400 reduced_to: 11 - symbol: Bi # 13 coordinates: [ 0.258949735000000, 0.952352200000000, 0.158546080000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 14 coordinates: [ 0.758949735000000, 0.952352200000000, 0.158546080000000 ] mass: 208.980400 reduced_to: 13 - symbol: Bi # 15 coordinates: [ 0.004112515000000, 0.993197950000000, 0.070336210000000 ] mass: 208.980400 reduced_to: 15 - symbol: Bi # 16 coordinates: [ 0.504112515000000, 0.993197950000000, 0.070336210000000 ] mass: 208.980400 reduced_to: 15 - symbol: Bi # 17 coordinates: [ 0.254112515000000, 0.506802050000000, 0.929663790000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 18 coordinates: [ 0.754112515000000, 0.506802050000000, 0.929663790000000 ] mass: 208.980400 reduced_to: 17 - symbol: Bi # 19 coordinates: [ 0.258949735000000, 0.047647800000000, 0.658546080000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 20 coordinates: [ 0.758949735000000, 0.047647800000000, 0.658546080000000 ] mass: 208.980400 reduced_to: 19 - symbol: Bi # 21 coordinates: [ 0.008949735000000, 0.452352200000000, 0.341453920000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 22 coordinates: [ 0.508949735000000, 0.452352200000000, 0.341453920000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 23 coordinates: [ 0.008949735000000, 0.547647800000000, 0.841453920000000 ] mass: 208.980400 reduced_to: 23 - symbol: Bi # 24 coordinates: [ 0.508949735000000, 0.547647800000000, 0.841453920000000 ] mass: 208.980400 reduced_to: 23 - symbol: Bi # 25 coordinates: [ 0.495887485000000, 0.006802050000000, 0.929663790000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 26 coordinates: [ 0.995887485000000, 0.006802050000000, 0.929663790000000 ] mass: 208.980400 reduced_to: 25 - symbol: Bi # 27 coordinates: [ 0.491050265000000, 0.452352200000000, 0.158546080000000 ] mass: 208.980400 reduced_to: 27 - symbol: Bi # 28 coordinates: [ 0.991050265000000, 0.452352200000000, 0.158546080000000 ] mass: 208.980400 reduced_to: 27 - symbol: Bi # 29 coordinates: [ 0.495887485000000, 0.993197950000000, 0.429663790000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 30 coordinates: [ 0.995887485000000, 0.993197950000000, 0.429663790000000 ] mass: 208.980400 reduced_to: 29 - symbol: Bi # 31 coordinates: [ 0.254112515000000, 0.493197950000000, 0.429663790000000 ] mass: 208.980400 reduced_to: 31 - symbol: Bi # 32 coordinates: [ 0.754112515000000, 0.493197950000000, 0.429663790000000 ] mass: 208.980400 reduced_to: 31 - symbol: Bi # 33 coordinates: [ 0.241050265000000, 0.952352200000000, 0.341453920000000 ] mass: 208.980400 reduced_to: 33 - symbol: Bi # 34 coordinates: [ 0.741050265000000, 0.952352200000000, 0.341453920000000 ] mass: 208.980400 reduced_to: 33 - symbol: Bi # 35 coordinates: [ 0.004112515000000, 0.006802050000000, 0.570336210000000 ] mass: 208.980400 reduced_to: 35 - symbol: Bi # 36 coordinates: [ 0.504112515000000, 0.006802050000000, 0.570336210000000 ] mass: 208.980400 reduced_to: 35 - symbol: Bi # 37 coordinates: [ 0.241050265000000, 0.047647800000000, 0.841453920000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 38 coordinates: [ 0.741050265000000, 0.047647800000000, 0.841453920000000 ] mass: 208.980400 reduced_to: 37 - symbol: Bi # 39 coordinates: [ 0.491050265000000, 0.547647800000000, 0.658546080000000 ] mass: 208.980400 reduced_to: 39 - symbol: Bi # 40 coordinates: [ 0.991050265000000, 0.547647800000000, 0.658546080000000 ] mass: 208.980400 reduced_to: 39 - symbol: Br # 41 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 43 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 43 - symbol: Br # 45 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 46 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 47 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 47 - symbol: Br # 48 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 79.904000 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.123271120000000, 0.298382690000000, 0.232719860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.623271120000000, 0.298382690000000, 0.232719860000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.374713085000000, 0.753770450000000, 0.106587280000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.874713085000000, 0.753770450000000, 0.106587280000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.302347000000000, 0.576668100000000, 0.185684240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.802347000000000, 0.576668100000000, 0.185684240000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.197653000000000, 0.423331900000000, 0.814315760000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.697653000000000, 0.423331900000000, 0.814315760000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.197653000000000, 0.576668100000000, 0.314315760000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.697653000000000, 0.576668100000000, 0.314315760000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.375990125000000, 0.757154400000000, 0.891018410000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.875990125000000, 0.757154400000000, 0.891018410000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.376728880000000, 0.298382690000000, 0.267280140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.876728880000000, 0.298382690000000, 0.267280140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.373271120000000, 0.798382690000000, 0.267280140000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.873271120000000, 0.798382690000000, 0.267280140000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.447653000000000, 0.076668100000000, 0.185684240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.947653000000000, 0.076668100000000, 0.185684240000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.125990125000000, 0.742845600000000, 0.108981590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.625990125000000, 0.742845600000000, 0.108981590000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.375286915000000, 0.253770450000000, 0.106587280000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.875286915000000, 0.253770450000000, 0.106587280000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.124009875000000, 0.757154400000000, 0.608981590000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.624009875000000, 0.757154400000000, 0.608981590000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.125286915000000, 0.753770450000000, 0.393412720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.625286915000000, 0.753770450000000, 0.393412720000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.374009875000000, 0.257154400000000, 0.891018410000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.874009875000000, 0.257154400000000, 0.891018410000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.123271120000000, 0.701617310000000, 0.732719860000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.623271120000000, 0.701617310000000, 0.732719860000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.376728880000000, 0.701617310000000, 0.767280140000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.876728880000000, 0.701617310000000, 0.767280140000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.375990125000000, 0.242845600000000, 0.391018410000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.875990125000000, 0.242845600000000, 0.391018410000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.373271120000000, 0.201617310000000, 0.767280140000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.873271120000000, 0.201617310000000, 0.767280140000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.375286915000000, 0.746229550000000, 0.606587280000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.875286915000000, 0.746229550000000, 0.606587280000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.125286915000000, 0.246229550000000, 0.893412720000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.625286915000000, 0.246229550000000, 0.893412720000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.052347000000000, 0.923331900000000, 0.814315760000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.552347000000000, 0.923331900000000, 0.814315760000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.126728880000000, 0.201617310000000, 0.732719860000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.626728880000000, 0.201617310000000, 0.732719860000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.447653000000000, 0.923331900000000, 0.685684240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.947653000000000, 0.923331900000000, 0.685684240000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.374009875000000, 0.742845600000000, 0.391018410000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.874009875000000, 0.742845600000000, 0.391018410000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.052347000000000, 0.076668100000000, 0.314315760000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.552347000000000, 0.076668100000000, 0.314315760000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.126728880000000, 0.798382690000000, 0.232719860000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.626728880000000, 0.798382690000000, 0.232719860000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.302347000000000, 0.423331900000000, 0.685684240000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.802347000000000, 0.423331900000000, 0.685684240000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.374713085000000, 0.246229550000000, 0.606587280000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.874713085000000, 0.246229550000000, 0.606587280000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.124009875000000, 0.242845600000000, 0.108981590000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.624009875000000, 0.242845600000000, 0.108981590000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.124713085000000, 0.253770450000000, 0.393412720000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.624713085000000, 0.253770450000000, 0.393412720000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.124713085000000, 0.746229550000000, 0.893412720000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.624713085000000, 0.746229550000000, 0.893412720000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.125990125000000, 0.257154400000000, 0.608981590000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.625990125000000, 0.257154400000000, 0.608981590000000 ] mass: 15.999400 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.3234501600000000, 0.0040506700000000, 0.0203240300000000 ] - [ 0.0422379200000000, -0.0002459200000000, -0.0054110000000000 ] - [ -0.0000041300000000, 0.0002712300000000, -0.0000937900000000 ] - [ 0.0000124000000000, 0.0002745600000000, -0.0000935600000000 ] - [ 0.0724059900000000, -0.0041105400000000, 0.0216191500000000 ] - [ 0.0721305000000000, 0.0036636900000000, 0.0215182000000000 ] - [ 0.0000007300000000, 0.0002779900000000, -0.0000943100000000 ] - [ -0.0000052700000000, 0.0002784300000000, -0.0000992300000000 ] - [ 0.0002768500000000, -0.0000240000000000, 0.0001955700000000 ] - [ 0.0002164500000000, -0.0000128700000000, -0.0000769900000000 ] - [ -0.0018607000000000, -0.0009218100000000, -0.0027390200000000 ] - [ 0.0016401800000000, 0.0011133000000000, 0.0021720200000000 ] - [ 0.0145897700000000, 0.0042900600000000, -0.0268670000000000 ] - [ 0.0153683100000000, -0.0003872800000000, 0.0227150100000000 ] - [ -0.0045026700000000, 0.0001431600000000, 0.0021374500000000 ] - [ 0.0044635100000000, 0.0001670500000000, -0.0003307800000000 ] - [ -0.0002779800000000, -0.0000300300000000, -0.0002601100000000 ] - [ -0.0002195800000000, -0.0000178700000000, 0.0000133500000000 ] - [ -0.0000624400000000, 0.0002743800000000, -0.0001021800000000 ] - [ -0.0000932400000000, 0.0002739900000000, -0.0001482800000000 ] - [ -0.0289172100000000, 0.0103516300000000, 0.0001423900000000 ] - [ 0.0151082000000000, 0.0024064100000000, -0.0002497700000000 ] - [ -0.0000949900000000, 0.0002825300000000, 0.0000024400000000 ] - [ -0.0000253300000000, 0.0002828900000000, -0.0000124000000000 ] - [ 0.0003523200000000, -0.0000231900000000, -0.0002046100000000 ] - [ 0.0001426400000000, -0.0000202500000000, -0.0001210800000000 ] - [ 0.0152643600000000, -0.0029583800000000, -0.0004131300000000 ] - [ -0.0287053100000000, -0.0109110300000000, 0.0000861300000000 ] - [ 0.0049569000000000, -0.0001304800000000, -0.0005040500000000 ] - [ -0.0040075300000000, -0.0001036900000000, 0.0019291700000000 ] - [ 0.0011450400000000, -0.0010620800000000, 0.0019988900000000 ] - [ -0.0023448600000000, 0.0009633700000000, -0.0029109800000000 ] - [ 0.0155179400000000, -0.0001496000000000, 0.0229710600000000 ] - [ 0.0147516400000000, -0.0048161100000000, -0.0266316800000000 ] - [ -0.0003538200000000, -0.0000205800000000, 0.0000616800000000 ] - [ -0.0001414000000000, -0.0000181000000000, -0.0000215000000000 ] - [ 0.0000472600000000, 0.0002823700000000, -0.0000274100000000 ] - [ 0.0000763600000000, 0.0002804300000000, 0.0000179700000000 ] - [ 0.0001131100000000, 0.0002724700000000, -0.0001317300000000 ] - [ 0.0000431900000000, 0.0002711700000000, -0.0001168400000000 ] - [ 0.0003945100000000, 0.0000040100000000, 0.0000011200000000 ] - [ -0.0003920200000000, 0.0000103800000000, 0.0000634500000000 ] - [ 0.0003938600000000, -0.0000040500000000, 0.0000000700000000 ] - [ -0.0003925700000000, -0.0000098500000000, 0.0000642100000000 ] - [ 0.0001557800000000, 0.0000561600000000, 0.0001271800000000 ] - [ -0.0001803800000000, -0.0000173000000000, -0.0000706700000000 ] - [ -0.0001790600000000, 0.0000169400000000, -0.0000700800000000 ] - [ 0.0001557600000000, -0.0000565600000000, 0.0001265000000000 ] - [ -0.0017904200000000, -0.0060475500000000, -0.0025102700000000 ] - [ -0.0247953800000000, -0.0130805500000000, -0.0066336100000000 ] - [ -0.0051748700000000, 0.0032236700000000, 0.0060285300000000 ] - [ 0.0021669600000000, -0.0019565000000000, -0.0040782900000000 ] - [ -0.0135201900000000, -0.0008467300000000, 0.0135470300000000 ] - [ 0.0017195600000000, 0.0006298400000000, -0.0172188000000000 ] - [ 0.0000041500000000, -0.0000007100000000, 0.0001481600000000 ] - [ -0.0000107500000000, 0.0000095800000000, 0.0001443700000000 ] - [ 0.0017514500000000, -0.0006779300000000, -0.0170770500000000 ] - [ -0.0134776500000000, 0.0008023400000000, 0.0137039300000000 ] - [ 0.0000916600000000, 0.0002555800000000, 0.0000032700000000 ] - [ 0.0001463700000000, 0.0002642200000000, -0.0000432900000000 ] - [ -0.0250476300000000, 0.0131665300000000, -0.0068628900000000 ] - [ -0.0025860300000000, 0.0066414300000000, -0.0024132900000000 ] - [ -0.0216844700000000, -0.0112062200000000, -0.0009460000000000 ] - [ 0.0982897800000000, 0.0743882700000000, -0.0272396700000000 ] - [ -0.0075496900000000, -0.0006016300000000, -0.0036219500000000 ] - [ 0.0224201500000000, 0.0010477100000000, 0.0177261200000000 ] - [ 0.0047917300000000, 0.0011971100000000, 0.0019003500000000 ] - [ -0.0039619600000000, -0.0017136300000000, -0.0028902500000000 ] - [ -0.0038702500000000, -0.0024796900000000, 0.0026724400000000 ] - [ 0.0035009700000000, 0.0029334400000000, -0.0012791800000000 ] - [ -0.0000855700000000, 0.0002405200000000, 0.0000719300000000 ] - [ -0.0001399000000000, 0.0002491900000000, 0.0001193300000000 ] - [ 0.0023319500000000, 0.0016118100000000, -0.0043296000000000 ] - [ -0.0050417700000000, -0.0035737500000000, 0.0057704200000000 ] - [ -0.0001348800000000, 0.0002628500000000, 0.0000040400000000 ] - [ -0.0000807700000000, 0.0002354900000000, -0.0000475100000000 ] - [ 0.0001405100000000, -0.0000563400000000, 0.0001448400000000 ] - [ 0.0001350400000000, -0.0000568500000000, 0.0001419700000000 ] - [ -0.0001246400000000, -0.0000544200000000, -0.0000912100000000 ] - [ -0.0001165900000000, -0.0000501000000000, -0.0000897000000000 ] - [ -0.0038566100000000, -0.0018163700000000, -0.0006322000000000 ] - [ 0.0047367700000000, 0.0003841200000000, 0.0002670800000000 ] - [ 0.0001285600000000, -0.0000612700000000, -0.0000894200000000 ] - [ 0.0001375800000000, -0.0000668900000000, -0.0000927600000000 ] - [ 0.0000148300000000, 0.0001556000000000, 0.0001575800000000 ] - [ 0.0001242200000000, 0.0001603700000000, 0.0001739900000000 ] - [ 0.0001180000000000, 0.0001724300000000, -0.0000752000000000 ] - [ 0.0000057200000000, 0.0001587200000000, -0.0001042100000000 ] - [ 0.0000099000000000, 0.0000107600000000, 0.0001368100000000 ] - [ -0.0000100000000000, 0.0000016000000000, 0.0001342000000000 ] - [ -0.0001479400000000, -0.0000678500000000, 0.0001433900000000 ] - [ -0.0001526500000000, -0.0000688100000000, 0.0001448400000000 ] - [ 0.0000214000000000, 0.0000350600000000, -0.0000410200000000 ] - [ 0.0000401900000000, 0.0000283400000000, -0.0000344100000000 ] - [ -0.0041785000000000, 0.0011876500000000, -0.0030001900000000 ] - [ 0.0045452200000000, -0.0017089600000000, 0.0017901300000000 ] - [ 0.0222114200000000, -0.0014070600000000, 0.0180190300000000 ] - [ -0.0075909300000000, 0.0005558300000000, -0.0034755500000000 ] - [ 0.1020346400000000, -0.0788059100000000, -0.0289634000000000 ] - [ -0.0218973200000000, 0.0113082800000000, -0.0006827600000000 ] - [ -0.0000340800000000, 0.0000258200000000, -0.0000449500000000 ] - [ -0.0000217500000000, 0.0000344500000000, -0.0000408900000000 ] - [ -0.0001383900000000, 0.0001770600000000, 0.0001510200000000 ] - [ -0.0000270600000000, 0.0001645300000000, 0.0001801100000000 ] - [ 0.0045254600000000, -0.0008776300000000, 0.0003759800000000 ] - [ -0.0040955500000000, 0.0013191900000000, -0.0005029500000000 ] - [ 0.0033774300000000, -0.0032818500000000, -0.0015499700000000 ] - [ -0.0040266900000000, 0.0021577800000000, 0.0024078000000000 ] - [ -0.0000194700000000, 0.0001717900000000, -0.0000810700000000 ] - [ -0.0001303400000000, 0.0001775700000000, -0.0000988100000000 ] - [ 0.0001527200000000, 0.0002684600000000, 0.0000679800000000 ] - [ 0.0000955500000000, 0.0002424400000000, 0.0001208000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.2671854700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0036091100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002756700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002746900000000, 0.0000000000000000 ] - [ 0.0040686600000000, 0.0588435700000000, 0.0007493300000000 ] - [ -0.0040686600000000, 0.0588435700000000, -0.0007493300000000 ] - [ 0.0000015700000000, 0.0002747200000000, 0.0000013200000000 ] - [ -0.0000015700000000, 0.0002747200000000, -0.0000013200000000 ] - [ 0.0002626000000000, -0.0000275700000000, 0.0001168600000000 ] - [ 0.0002272500000000, -0.0000219100000000, 0.0000575400000000 ] - [ 0.0010707900000000, 0.0000949400000000, 0.0002891800000000 ] - [ 0.0002742400000000, -0.0009001600000000, -0.0000885600000000 ] - [ -0.0084067800000000, -0.0054367300000000, 0.0096423900000000 ] - [ -0.0013479500000000, -0.0032097600000000, 0.0005440700000000 ] - [ 0.0005491500000000, 0.0003294700000000, -0.0004996700000000 ] - [ -0.0013420600000000, 0.0002137800000000, 0.0002596800000000 ] - [ -0.0002272500000000, -0.0000219100000000, -0.0000575400000000 ] - [ -0.0002626000000000, -0.0000275700000000, -0.0001168600000000 ] - [ -0.0000643000000000, 0.0002775900000000, -0.0000610600000000 ] - [ -0.0000743600000000, 0.0002773800000000, -0.0000726800000000 ] - [ 0.0007503300000000, 0.0152488800000000, 0.0095989300000000 ] - [ 0.0012641400000000, -0.0002633200000000, 0.0009146400000000 ] - [ -0.0000619100000000, 0.0002779600000000, 0.0000642300000000 ] - [ -0.0000762100000000, 0.0002799500000000, 0.0000706600000000 ] - [ 0.0002132300000000, -0.0000197600000000, -0.0000743700000000 ] - [ 0.0002768300000000, -0.0000190600000000, -0.0001045900000000 ] - [ -0.0012641400000000, -0.0002633200000000, -0.0009146400000000 ] - [ -0.0007503300000000, 0.0152488800000000, -0.0095989300000000 ] - [ 0.0013420600000000, 0.0002137800000000, -0.0002596800000000 ] - [ -0.0005491500000000, 0.0003294700000000, 0.0004996700000000 ] - [ -0.0002742400000000, -0.0009001600000000, 0.0000885600000000 ] - [ -0.0010707900000000, 0.0000949400000000, -0.0002891800000000 ] - [ 0.0013479500000000, -0.0032097600000000, -0.0005440700000000 ] - [ 0.0084067800000000, -0.0054367300000000, -0.0096423900000000 ] - [ -0.0002768300000000, -0.0000190600000000, 0.0001045900000000 ] - [ -0.0002132300000000, -0.0000197600000000, 0.0000743700000000 ] - [ 0.0000743600000000, 0.0002773800000000, 0.0000726800000000 ] - [ 0.0000643000000000, 0.0002775900000000, 0.0000610600000000 ] - [ 0.0000762100000000, 0.0002799500000000, -0.0000706600000000 ] - [ 0.0000619100000000, 0.0002779600000000, -0.0000642300000000 ] - [ -0.0000868400000000, -0.0000149400000000, 0.0000108100000000 ] - [ 0.0000549300000000, -0.0000135900000000, -0.0000443700000000 ] - [ 0.0000868400000000, -0.0000149400000000, -0.0000108100000000 ] - [ -0.0000549300000000, -0.0000135900000000, 0.0000443700000000 ] - [ -0.0000280300000000, -0.0000046000000000, -0.0000343900000000 ] - [ 0.0000520200000000, 0.0000512100000000, 0.0000388200000000 ] - [ -0.0000520200000000, 0.0000512100000000, -0.0000388200000000 ] - [ 0.0000280300000000, -0.0000046000000000, 0.0000343900000000 ] - [ -0.0108925500000000, -0.0002156700000000, -0.0083196800000000 ] - [ 0.0012444600000000, -0.0004568800000000, 0.0005321500000000 ] - [ 0.0011134400000000, -0.0018678100000000, -0.0010596200000000 ] - [ 0.0008425800000000, -0.0004059000000000, 0.0017772900000000 ] - [ 0.0025158000000000, -0.0064230000000000, 0.0022231800000000 ] - [ -0.0024055300000000, -0.0054416500000000, -0.0002734100000000 ] - [ 0.0000104700000000, 0.0000190200000000, 0.0001003500000000 ] - [ 0.0000137100000000, 0.0000167400000000, 0.0001009500000000 ] - [ 0.0024055300000000, -0.0054416500000000, 0.0002734100000000 ] - [ -0.0025158000000000, -0.0064230000000000, -0.0022231800000000 ] - [ 0.0001208700000000, 0.0002547500000000, -0.0000653600000000 ] - [ 0.0001123100000000, 0.0002543600000000, -0.0000517600000000 ] - [ -0.0012444600000000, -0.0004568800000000, -0.0005321500000000 ] - [ 0.0108925500000000, -0.0002156700000000, 0.0083196800000000 ] - [ 0.0016236500000000, -0.0032823600000000, 0.0007122700000000 ] - [ 0.0559486800000000, 0.0632866200000000, -0.0228774000000000 ] - [ 0.0013473600000000, 0.0002320000000000, 0.0011321400000000 ] - [ -0.0085177300000000, 0.0213747800000000, -0.0293272700000000 ] - [ -0.0010105800000000, -0.0009557800000000, 0.0000455300000000 ] - [ 0.0011423900000000, 0.0006826300000000, 0.0012734300000000 ] - [ 0.0013563000000000, 0.0012017300000000, -0.0009143300000000 ] - [ -0.0010873500000000, 0.0005839300000000, -0.0014217200000000 ] - [ -0.0001123100000000, 0.0002543600000000, 0.0000517600000000 ] - [ -0.0001208700000000, 0.0002547500000000, 0.0000653600000000 ] - [ -0.0008425800000000, -0.0004059000000000, -0.0017772900000000 ] - [ -0.0011134400000000, -0.0018678100000000, 0.0010596200000000 ] - [ -0.0001118700000000, 0.0002498700000000, -0.0000679400000000 ] - [ -0.0001222300000000, 0.0002548300000000, -0.0000514700000000 ] - [ 0.0001306000000000, -0.0000537300000000, 0.0001158200000000 ] - [ 0.0001304400000000, -0.0000545800000000, 0.0001153400000000 ] - [ -0.0001304400000000, -0.0000545800000000, -0.0001153400000000 ] - [ -0.0001306000000000, -0.0000537300000000, -0.0001158200000000 ] - [ -0.0005653800000000, -0.0008336000000000, -0.0002327300000000 ] - [ 0.0008387500000000, -0.0001128200000000, -0.0000247800000000 ] - [ 0.0001370800000000, -0.0000598900000000, -0.0001164100000000 ] - [ 0.0001373600000000, -0.0000610900000000, -0.0001165900000000 ] - [ 0.0000589300000000, 0.0001648400000000, 0.0001289100000000 ] - [ 0.0000875200000000, 0.0001666400000000, 0.0001315400000000 ] - [ 0.0000570500000000, 0.0001620600000000, -0.0001318400000000 ] - [ 0.0000898800000000, 0.0001677100000000, -0.0001260300000000 ] - [ -0.0000161200000000, 0.0000168100000000, 0.0000943300000000 ] - [ -0.0000118700000000, 0.0000194900000000, 0.0000967700000000 ] - [ -0.0001373600000000, -0.0000610900000000, 0.0001165900000000 ] - [ -0.0001370800000000, -0.0000598900000000, 0.0001164100000000 ] - [ 0.0000118700000000, 0.0000194900000000, -0.0000967700000000 ] - [ 0.0000161200000000, 0.0000168100000000, -0.0000943300000000 ] - [ -0.0011423900000000, 0.0006826300000000, -0.0012734300000000 ] - [ 0.0010105800000000, -0.0009557800000000, -0.0000455300000000 ] - [ 0.0085177300000000, 0.0213747800000000, 0.0293272700000000 ] - [ -0.0013473600000000, 0.0002320000000000, -0.0011321400000000 ] - [ -0.0559486800000000, 0.0632866200000000, 0.0228774000000000 ] - [ -0.0016236500000000, -0.0032823600000000, -0.0007122700000000 ] - [ -0.0000137100000000, 0.0000167400000000, -0.0001009500000000 ] - [ -0.0000104700000000, 0.0000190200000000, -0.0001003500000000 ] - [ -0.0000898800000000, 0.0001677100000000, 0.0001260300000000 ] - [ -0.0000570500000000, 0.0001620600000000, 0.0001318400000000 ] - [ -0.0008387500000000, -0.0001128200000000, 0.0000247800000000 ] - [ 0.0005653800000000, -0.0008336000000000, 0.0002327300000000 ] - [ 0.0010873500000000, 0.0005839300000000, 0.0014217200000000 ] - [ -0.0013563000000000, 0.0012017300000000, 0.0009143300000000 ] - [ -0.0000875200000000, 0.0001666400000000, -0.0001315400000000 ] - [ -0.0000589300000000, 0.0001648400000000, -0.0001289100000000 ] - [ 0.0001222300000000, 0.0002548300000000, 0.0000514700000000 ] - [ 0.0001118700000000, 0.0002498700000000, 0.0000679400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.2723234500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030001600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002687600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002709100000000, 0.0000000000000000 ] - [ -0.0036986900000000, -0.0585731500000000, -0.0006764300000000 ] - [ 0.0036986900000000, -0.0585731500000000, 0.0006764300000000 ] - [ 0.0000014100000000, 0.0002738000000000, 0.0000001000000000 ] - [ -0.0000014100000000, 0.0002738000000000, -0.0000001000000000 ] - [ 0.0002300600000000, -0.0000147900000000, 0.0000668600000000 ] - [ 0.0002621800000000, -0.0000213000000000, 0.0001265300000000 ] - [ -0.0005688400000000, -0.0000498800000000, -0.0001146800000000 ] - [ 0.0002035900000000, 0.0009549100000000, 0.0002622000000000 ] - [ 0.0081884300000000, 0.0048539500000000, -0.0097220000000000 ] - [ 0.0013497600000000, 0.0027431000000000, -0.0006142300000000 ] - [ -0.0010498400000000, -0.0002957800000000, 0.0007186300000000 ] - [ 0.0008570400000000, -0.0001759300000000, -0.0000733400000000 ] - [ -0.0002621800000000, -0.0000213000000000, -0.0001265300000000 ] - [ -0.0002300600000000, -0.0000147900000000, -0.0000668600000000 ] - [ -0.0000743300000000, 0.0002782100000000, -0.0000716400000000 ] - [ -0.0000644500000000, 0.0002797300000000, -0.0000599000000000 ] - [ -0.0008638800000000, -0.0157827000000000, -0.0091580000000000 ] - [ -0.0014054600000000, -0.0002943800000000, -0.0007456800000000 ] - [ -0.0000769300000000, 0.0002777300000000, 0.0000676600000000 ] - [ -0.0000612800000000, 0.0002771800000000, 0.0000612100000000 ] - [ 0.0002772400000000, -0.0000222800000000, -0.0001093800000000 ] - [ 0.0002147300000000, -0.0000226700000000, -0.0000811900000000 ] - [ 0.0014054600000000, -0.0002943800000000, 0.0007456800000000 ] - [ 0.0008638800000000, -0.0157827000000000, 0.0091580000000000 ] - [ -0.0008570400000000, -0.0001759300000000, 0.0000733400000000 ] - [ 0.0010498400000000, -0.0002957800000000, -0.0007186300000000 ] - [ -0.0002035900000000, 0.0009549100000000, -0.0002622000000000 ] - [ 0.0005688400000000, -0.0000498800000000, 0.0001146800000000 ] - [ -0.0013497600000000, 0.0027431000000000, 0.0006142300000000 ] - [ -0.0081884300000000, 0.0048539500000000, 0.0097220000000000 ] - [ -0.0002147300000000, -0.0000226700000000, 0.0000811900000000 ] - [ -0.0002772400000000, -0.0000222800000000, 0.0001093800000000 ] - [ 0.0000644500000000, 0.0002797300000000, 0.0000599000000000 ] - [ 0.0000743300000000, 0.0002782100000000, 0.0000716400000000 ] - [ 0.0000612800000000, 0.0002771800000000, -0.0000612100000000 ] - [ 0.0000769300000000, 0.0002777300000000, -0.0000676600000000 ] - [ 0.0000878400000000, 0.0000152800000000, -0.0000103400000000 ] - [ -0.0000569100000000, 0.0000129900000000, 0.0000426200000000 ] - [ -0.0000878400000000, 0.0000152800000000, 0.0000103400000000 ] - [ 0.0000569100000000, 0.0000129900000000, -0.0000426200000000 ] - [ 0.0000272500000000, 0.0000043000000000, 0.0000368300000000 ] - [ -0.0000509000000000, -0.0000519600000000, -0.0000392700000000 ] - [ 0.0000509000000000, -0.0000519600000000, 0.0000392700000000 ] - [ -0.0000272500000000, 0.0000043000000000, -0.0000368300000000 ] - [ 0.0115597100000000, 0.0006045400000000, 0.0081515200000000 ] - [ -0.0009375500000000, 0.0005686800000000, -0.0002856700000000 ] - [ -0.0012529600000000, 0.0015171200000000, 0.0013098700000000 ] - [ -0.0009850200000000, 0.0000333000000000, -0.0015291000000000 ] - [ -0.0025325500000000, 0.0063103300000000, -0.0024010500000000 ] - [ 0.0024137700000000, 0.0053456300000000, 0.0001020100000000 ] - [ 0.0000129900000000, 0.0000148600000000, 0.0001044200000000 ] - [ 0.0000087000000000, 0.0000181800000000, 0.0001041100000000 ] - [ -0.0024137700000000, 0.0053456300000000, -0.0001020100000000 ] - [ 0.0025325500000000, 0.0063103300000000, 0.0024010500000000 ] - [ 0.0001114200000000, 0.0002509000000000, -0.0000474200000000 ] - [ 0.0001213400000000, 0.0002516800000000, -0.0000608400000000 ] - [ 0.0009375500000000, 0.0005686800000000, 0.0002856700000000 ] - [ -0.0115597100000000, 0.0006045400000000, -0.0081515200000000 ] - [ -0.0013372600000000, 0.0033640800000000, -0.0009517100000000 ] - [ -0.0596981800000000, -0.0662003000000000, 0.0240279400000000 ] - [ -0.0013148500000000, -0.0002675800000000, -0.0013145100000000 ] - [ 0.0084296900000000, -0.0221782500000000, 0.0290610700000000 ] - [ 0.0012363800000000, 0.0004296200000000, 0.0000752000000000 ] - [ -0.0009246800000000, -0.0012154900000000, -0.0011855400000000 ] - [ -0.0012003300000000, -0.0015123800000000, 0.0011651300000000 ] - [ 0.0012438600000000, -0.0008758700000000, 0.0016980200000000 ] - [ -0.0001213400000000, 0.0002516800000000, 0.0000608400000000 ] - [ -0.0001114200000000, 0.0002509000000000, 0.0000474200000000 ] - [ 0.0009850200000000, 0.0000333000000000, 0.0015291000000000 ] - [ 0.0012529600000000, 0.0015171200000000, -0.0013098700000000 ] - [ -0.0001201900000000, 0.0002558400000000, -0.0000460800000000 ] - [ -0.0001115400000000, 0.0002495900000000, -0.0000620700000000 ] - [ 0.0001276400000000, -0.0000515600000000, 0.0001149500000000 ] - [ 0.0001279700000000, -0.0000520400000000, 0.0001143400000000 ] - [ -0.0001279700000000, -0.0000520400000000, -0.0001143400000000 ] - [ -0.0001276400000000, -0.0000515600000000, -0.0001149500000000 ] - [ 0.0007999800000000, 0.0003348800000000, 0.0001195700000000 ] - [ -0.0006025000000000, -0.0003636400000000, -0.0001023100000000 ] - [ 0.0001386800000000, -0.0000622500000000, -0.0001152400000000 ] - [ 0.0001403600000000, -0.0000636600000000, -0.0001163600000000 ] - [ 0.0000873500000000, 0.0001646900000000, 0.0001259800000000 ] - [ 0.0000591200000000, 0.0001620700000000, 0.0001225700000000 ] - [ 0.0000890600000000, 0.0001695400000000, -0.0001216700000000 ] - [ 0.0000571300000000, 0.0001629900000000, -0.0001281000000000 ] - [ -0.0000107600000000, 0.0000203000000000, 0.0000975700000000 ] - [ -0.0000155800000000, 0.0000162000000000, 0.0000967800000000 ] - [ -0.0001403600000000, -0.0000636600000000, 0.0001163600000000 ] - [ -0.0001386800000000, -0.0000622500000000, 0.0001152400000000 ] - [ 0.0000155800000000, 0.0000162000000000, -0.0000967800000000 ] - [ 0.0000107600000000, 0.0000203000000000, -0.0000975700000000 ] - [ 0.0009246800000000, -0.0012154900000000, 0.0011855400000000 ] - [ -0.0012363800000000, 0.0004296200000000, -0.0000752000000000 ] - [ -0.0084296900000000, -0.0221782500000000, -0.0290610700000000 ] - [ 0.0013148500000000, -0.0002675800000000, 0.0013145100000000 ] - [ 0.0596981800000000, -0.0662003000000000, -0.0240279400000000 ] - [ 0.0013372600000000, 0.0033640800000000, 0.0009517100000000 ] - [ -0.0000087000000000, 0.0000181800000000, -0.0001041100000000 ] - [ -0.0000129900000000, 0.0000148600000000, -0.0001044200000000 ] - [ -0.0000571300000000, 0.0001629900000000, 0.0001281000000000 ] - [ -0.0000890600000000, 0.0001695400000000, 0.0001216700000000 ] - [ 0.0006025000000000, -0.0003636400000000, 0.0001023100000000 ] - [ -0.0007999800000000, 0.0003348800000000, -0.0001195700000000 ] - [ -0.0012438600000000, -0.0008758700000000, -0.0016980200000000 ] - [ 0.0012003300000000, -0.0015123800000000, -0.0011651300000000 ] - [ -0.0000591200000000, 0.0001620700000000, -0.0001225700000000 ] - [ -0.0000873500000000, 0.0001646900000000, -0.0001259800000000 ] - [ 0.0001115400000000, 0.0002495900000000, 0.0000620700000000 ] - [ 0.0001201900000000, 0.0002558400000000, 0.0000460800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0202435900000000, -0.0014116900000000, -0.3066310200000000 ] - [ -0.0054122900000000, -0.0002709600000000, -0.0215295300000000 ] - [ -0.0000959300000000, 0.0002696100000000, 0.0082888300000000 ] - [ -0.0000914500000000, 0.0002737300000000, 0.0082692800000000 ] - [ -0.0216009400000000, 0.0005944600000000, -0.0441319900000000 ] - [ -0.0215355500000000, -0.0008351100000000, -0.0441504000000000 ] - [ 0.0001017500000000, 0.0002740000000000, 0.0082725800000000 ] - [ 0.0000912300000000, 0.0002776100000000, 0.0082662800000000 ] - [ 0.0004624800000000, -0.0000490500000000, 0.0041447600000000 ] - [ 0.0003288100000000, -0.0000362800000000, 0.0040092300000000 ] - [ -0.0049726800000000, 0.0006024200000000, 0.0024299100000000 ] - [ 0.0041642900000000, 0.0011214900000000, 0.0022210400000000 ] - [ -0.0188689000000000, 0.0003558600000000, -0.0000771900000000 ] - [ 0.0369896700000000, 0.0155158500000000, 0.0100154000000000 ] - [ -0.0020478700000000, 0.0003329500000000, 0.0102633800000000 ] - [ 0.0021621000000000, -0.0014305200000000, 0.0017952100000000 ] - [ -0.0001666900000000, -0.0000069400000000, 0.0038275100000000 ] - [ -0.0000360700000000, 0.0000070300000000, 0.0039651600000000 ] - [ 0.0006639000000000, 0.0006332800000000, 0.0053876900000000 ] - [ 0.0006042800000000, 0.0006346600000000, 0.0053652600000000 ] - [ -0.0016445600000000, 0.0286487700000000, 0.0197101100000000 ] - [ 0.0007290100000000, -0.0020661800000000, -0.0101235300000000 ] - [ -0.0007923600000000, -0.0000762800000000, 0.0055200500000000 ] - [ -0.0007564900000000, -0.0000738200000000, 0.0054813700000000 ] - [ 0.0001670400000000, 0.0000086300000000, 0.0036562500000000 ] - [ 0.0000386200000000, 0.0000078800000000, 0.0038840700000000 ] - [ 0.0008589700000000, 0.0015183700000000, -0.0102239900000000 ] - [ -0.0014623200000000, -0.0288204400000000, 0.0193954100000000 ] - [ 0.0026794300000000, 0.0014727300000000, 0.0016102300000000 ] - [ -0.0015471000000000, -0.0002868500000000, 0.0101183100000000 ] - [ 0.0036750600000000, -0.0010899100000000, 0.0020571600000000 ] - [ -0.0055072200000000, -0.0005598600000000, 0.0022508800000000 ] - [ 0.0374536700000000, -0.0161254300000000, 0.0102150000000000 ] - [ -0.0187468000000000, -0.0009350400000000, -0.0000219200000000 ] - [ -0.0004601400000000, -0.0000487800000000, 0.0040649700000000 ] - [ -0.0003281300000000, -0.0000500600000000, 0.0038377300000000 ] - [ 0.0007468700000000, -0.0000794000000000, 0.0054895300000000 ] - [ 0.0008012800000000, -0.0000808700000000, 0.0055106000000000 ] - [ -0.0006156200000000, 0.0006283300000000, 0.0053590400000000 ] - [ -0.0006542000000000, 0.0006276100000000, 0.0053967400000000 ] - [ 0.0001232400000000, -0.0000835500000000, -0.0023751700000000 ] - [ -0.0004036300000000, -0.0000750300000000, -0.0022945200000000 ] - [ 0.0001235300000000, 0.0000836900000000, -0.0023765400000000 ] - [ -0.0004043000000000, 0.0000753400000000, -0.0022928000000000 ] - [ 0.0004667900000000, -0.0000577800000000, -0.0022520500000000 ] - [ -0.0002415000000000, -0.0001033600000000, -0.0023974700000000 ] - [ -0.0002433200000000, 0.0001035500000000, -0.0023979800000000 ] - [ 0.0004691200000000, 0.0000574300000000, -0.0022533400000000 ] - [ 0.0086932500000000, 0.0024606200000000, 0.0225470400000000 ] - [ 0.0077145300000000, 0.0042412000000000, 0.0092232700000000 ] - [ 0.0020451200000000, -0.0011526800000000, 0.0011245000000000 ] - [ -0.0053560400000000, -0.0010594500000000, -0.0051657900000000 ] - [ 0.0014454100000000, -0.0038517400000000, 0.0078446500000000 ] - [ -0.0095042300000000, -0.0034954000000000, 0.0230607100000000 ] - [ 0.0013668200000000, 0.0011096600000000, -0.0043241400000000 ] - [ 0.0013481300000000, 0.0011180500000000, -0.0043149200000000 ] - [ -0.0094904600000000, 0.0034332400000000, 0.0233317800000000 ] - [ 0.0014764100000000, 0.0037994400000000, 0.0080352700000000 ] - [ 0.0003299000000000, 0.0000624700000000, -0.0028425000000000 ] - [ 0.0003086100000000, 0.0000513600000000, -0.0028912300000000 ] - [ 0.0074723900000000, -0.0041404500000000, 0.0090222500000000 ] - [ 0.0088898300000000, -0.0028709200000000, 0.0221847500000000 ] - [ 0.0020339200000000, 0.0029664100000000, 0.0099448800000000 ] - [ -0.0291188600000000, -0.0276853600000000, 0.0312264300000000 ] - [ 0.0055340700000000, -0.0020004200000000, 0.0115196000000000 ] - [ 0.0128217300000000, -0.0075235300000000, 0.0815582800000000 ] - [ 0.0070436700000000, 0.0014021400000000, -0.0051494700000000 ] - [ -0.0059951500000000, -0.0051613400000000, -0.0054437200000000 ] - [ 0.0021004300000000, 0.0007144600000000, 0.0025323200000000 ] - [ -0.0042016800000000, 0.0014176400000000, -0.0065859700000000 ] - [ 0.0000762600000000, 0.0004541100000000, -0.0027790800000000 ] - [ 0.0000970400000000, 0.0004427300000000, -0.0027293100000000 ] - [ -0.0052400300000000, 0.0007151800000000, -0.0054317800000000 ] - [ 0.0021765300000000, 0.0007934200000000, 0.0009030600000000 ] - [ -0.0002738500000000, 0.0000211400000000, -0.0028468500000000 ] - [ -0.0002948600000000, 0.0000146300000000, -0.0028937100000000 ] - [ -0.0005860300000000, 0.0001128500000000, -0.0021310300000000 ] - [ -0.0005857600000000, 0.0001123200000000, -0.0021308400000000 ] - [ -0.0008542900000000, -0.0002314300000000, -0.0023650000000000 ] - [ -0.0008504900000000, -0.0002233400000000, -0.0023677600000000 ] - [ -0.0031309500000000, -0.0020352200000000, -0.0000168800000000 ] - [ 0.0048726700000000, -0.0011889900000000, -0.0042116900000000 ] - [ 0.0008567800000000, -0.0002292300000000, -0.0023651600000000 ] - [ 0.0008609300000000, -0.0002383200000000, -0.0023675100000000 ] - [ -0.0003894900000000, 0.0002287400000000, -0.0027216200000000 ] - [ -0.0002835500000000, 0.0002344000000000, -0.0027428100000000 ] - [ 0.0005002100000000, 0.0000675600000000, -0.0029871900000000 ] - [ 0.0003858500000000, 0.0000605100000000, -0.0029815700000000 ] - [ -0.0013547400000000, 0.0011214100000000, -0.0043417600000000 ] - [ -0.0013662700000000, 0.0011091100000000, -0.0043261600000000 ] - [ 0.0005765800000000, 0.0001058800000000, -0.0021295400000000 ] - [ 0.0005808100000000, 0.0001061300000000, -0.0021316800000000 ] - [ -0.0013337700000000, -0.0010710100000000, -0.0045066600000000 ] - [ -0.0013231700000000, -0.0010796000000000, -0.0045122300000000 ] - [ -0.0062558100000000, 0.0046810100000000, -0.0055793300000000 ] - [ 0.0068527800000000, -0.0019298800000000, -0.0052882300000000 ] - [ 0.0148162300000000, 0.0086700100000000, 0.0880118500000000 ] - [ 0.0054971600000000, 0.0019621500000000, 0.0116899300000000 ] - [ -0.0292990100000000, 0.0277919500000000, 0.0316108700000000 ] - [ 0.0017381100000000, -0.0028541900000000, 0.0101435400000000 ] - [ 0.0013223200000000, -0.0010797900000000, -0.0045008200000000 ] - [ 0.0013364800000000, -0.0010733800000000, -0.0045089500000000 ] - [ 0.0002412700000000, 0.0002756900000000, -0.0027273100000000 ] - [ 0.0003543900000000, 0.0002697000000000, -0.0027339100000000 ] - [ 0.0046204200000000, 0.0006759700000000, -0.0040832500000000 ] - [ -0.0033409400000000, 0.0015140100000000, 0.0001041500000000 ] - [ -0.0043487000000000, -0.0017567200000000, -0.0068248100000000 ] - [ 0.0019494600000000, -0.0010356800000000, 0.0023012900000000 ] - [ -0.0004280000000000, 0.0000996300000000, -0.0029967100000000 ] - [ -0.0005357600000000, 0.0001055700000000, -0.0029774900000000 ] - [ -0.0000604500000000, 0.0004892000000000, -0.0027807500000000 ] - [ -0.0000428000000000, 0.0004843200000000, -0.0027328000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000288000000000, -0.0002584800000000, 0.0002159400000000 ] - [ -0.0000282900000000, -0.0002918200000000, 0.0000766200000000 ] - [ -0.0021070000000000, -0.0005513000000000, -0.0052453500000000 ] - [ 0.0013906700000000, 0.0002402400000000, 0.0039173100000000 ] - [ -0.0001053400000000, -0.0002470300000000, 0.0002079900000000 ] - [ 0.0001073200000000, -0.0003091300000000, 0.0000776200000000 ] - [ -0.0042456300000000, 0.0010761300000000, 0.0017946600000000 ] - [ 0.0047058500000000, -0.0008215300000000, -0.0024198300000000 ] - [ -0.1291005600000000, -0.0124772300000000, -0.0006005100000000 ] - [ 0.0155981100000000, -0.0000488900000000, -0.0000248400000000 ] - [ 0.0002466400000000, 0.0000219000000000, 0.0001595600000000 ] - [ 0.0002487000000000, 0.0000213800000000, 0.0001586000000000 ] - [ -0.0000677300000000, -0.0002898500000000, 0.0000347400000000 ] - [ -0.0000467000000000, -0.0002771000000000, 0.0000316200000000 ] - [ -0.0002482900000000, 0.0000220900000000, 0.0001583000000000 ] - [ -0.0002512600000000, 0.0000204100000000, 0.0001598000000000 ] - [ -0.0003574900000000, -0.0000037200000000, 0.0000128500000000 ] - [ -0.0001309100000000, -0.0000362500000000, -0.0000595100000000 ] - [ -0.0388336500000000, 0.0015814900000000, 0.0031398800000000 ] - [ 0.0096231900000000, 0.0004049700000000, 0.0003286500000000 ] - [ -0.0002480800000000, -0.0001604800000000, 0.0010292200000000 ] - [ 0.0001101300000000, -0.0004041600000000, -0.0007120300000000 ] - [ -0.0003411400000000, 0.0006039900000000, -0.0002543700000000 ] - [ 0.0001553200000000, -0.0000696900000000, 0.0005712600000000 ] - [ 0.0002448700000000, 0.0000121700000000, 0.0000793700000000 ] - [ 0.0002439000000000, -0.0000534600000000, -0.0001289500000000 ] - [ 0.0000511400000000, -0.0002773900000000, 0.0000286100000000 ] - [ 0.0000647100000000, -0.0002899800000000, 0.0000391100000000 ] - [ 0.0000454000000000, 0.0002752500000000, -0.0039808400000000 ] - [ 0.0000846400000000, -0.0002336400000000, 0.0039800700000000 ] - [ -0.0054863700000000, -0.0000235500000000, -0.0002772300000000 ] - [ 0.0058566800000000, 0.0001321500000000, 0.0001520500000000 ] - [ -0.0008548700000000, -0.0002732900000000, 0.0001583300000000 ] - [ 0.0009886300000000, -0.0002682400000000, 0.0001359400000000 ] - [ 0.0240926400000000, -0.0008943300000000, 0.0059872600000000 ] - [ 0.0252369000000000, 0.0017043500000000, -0.0055201400000000 ] - [ -0.0005734800000000, 0.0000089400000000, 0.0002139500000000 ] - [ 0.0007684200000000, 0.0005196000000000, 0.0000979600000000 ] - [ 0.0159364300000000, 0.0024213400000000, 0.0229576600000000 ] - [ 0.0194388500000000, -0.0012466700000000, -0.0194609600000000 ] - [ -0.0000058500000000, -0.0000009200000000, -0.0000408500000000 ] - [ 0.0000002700000000, -0.0000018800000000, -0.0000405000000000 ] - [ 0.0004172100000000, 0.0002036100000000, -0.0026579000000000 ] - [ -0.0001259400000000, -0.0002931400000000, 0.0028277700000000 ] - [ 0.0000102300000000, -0.0000016100000000, -0.0000388800000000 ] - [ -0.0000051200000000, -0.0000004800000000, -0.0000424100000000 ] - [ 0.0041108500000000, -0.0003711300000000, -0.0000200700000000 ] - [ -0.0047116400000000, 0.0000059700000000, 0.0003200400000000 ] - [ 0.0001288800000000, 0.0000544500000000, 0.0000699400000000 ] - [ 0.0001084400000000, 0.0000494400000000, 0.0000828300000000 ] - [ -0.0000621100000000, -0.0001673800000000, 0.0000745700000000 ] - [ -0.0000685800000000, -0.0001683900000000, 0.0000782100000000 ] - [ 0.0000210600000000, 0.0000121700000000, -0.0001913500000000 ] - [ -0.0000003400000000, -0.0000093400000000, -0.0001576200000000 ] - [ 0.0005033700000000, 0.0003769200000000, -0.0005467900000000 ] - [ -0.0004821200000000, -0.0002318400000000, 0.0005449000000000 ] - [ 0.0002909500000000, 0.0000412800000000, -0.0001478600000000 ] - [ -0.0002276700000000, -0.0001213900000000, 0.0001902300000000 ] - [ 0.0001648600000000, 0.0002694100000000, -0.0001775000000000 ] - [ 0.0000716200000000, 0.0002285800000000, -0.0000337900000000 ] - [ -0.0000625200000000, 0.0000587500000000, -0.0000920800000000 ] - [ -0.0002249200000000, 0.0000607600000000, -0.0002168100000000 ] - [ 0.0002201900000000, 0.0000564900000000, -0.0001831100000000 ] - [ 0.0000806500000000, 0.0000753800000000, -0.0001225100000000 ] - [ -0.0000048000000000, 0.0000021400000000, -0.0001490900000000 ] - [ -0.0000129400000000, 0.0000014000000000, -0.0001915600000000 ] - [ 0.0001141300000000, -0.0002554100000000, 0.0000080900000000 ] - [ 0.0001115300000000, -0.0002567300000000, 0.0000092700000000 ] - [ 0.0000692100000000, -0.0001670600000000, 0.0000775300000000 ] - [ 0.0000621700000000, -0.0001667200000000, 0.0000757900000000 ] - [ 0.0195941900000000, -0.0131437600000000, -0.0103416000000000 ] - [ -0.0091674100000000, 0.0026006900000000, -0.0014003500000000 ] - [ 0.0015654300000000, -0.0005762600000000, -0.0007396700000000 ] - [ -0.0014741700000000, 0.0003441600000000, 0.0003978300000000 ] - [ -0.0000142400000000, 0.0003015800000000, -0.0001519600000000 ] - [ -0.0002243900000000, 0.0002016200000000, -0.0000579500000000 ] - [ 0.0030132900000000, -0.0007328800000000, 0.0018491300000000 ] - [ -0.0031440400000000, 0.0001567400000000, -0.0021345400000000 ] - [ 0.0006091400000000, 0.0003330300000000, -0.0006463300000000 ] - [ -0.0008734800000000, -0.0004739000000000, 0.0004154600000000 ] - [ 0.0013878600000000, -0.0008331800000000, 0.0006379000000000 ] - [ -0.0013619400000000, 0.0003571700000000, -0.0008619900000000 ] - [ 0.0007319200000000, -0.0005023100000000, -0.0008489500000000 ] - [ -0.0004996800000000, 0.0004587700000000, 0.0006803900000000 ] - [ 0.0261108500000000, 0.0182373300000000, 0.0157309800000000 ] - [ -0.0086558200000000, -0.0023034400000000, 0.0011335500000000 ] - [ 0.0002411100000000, 0.0001354800000000, -0.0001766500000000 ] - [ -0.0000806900000000, 0.0001986600000000, -0.0001771900000000 ] - [ 0.0003133800000000, -0.0003035400000000, 0.0012859800000000 ] - [ -0.0003655100000000, 0.0004828500000000, -0.0012954500000000 ] - [ 0.0028700500000000, 0.0000172300000000, -0.0010055900000000 ] - [ -0.0024453000000000, -0.0005009400000000, 0.0002479600000000 ] - [ 0.0045557500000000, -0.0039540400000000, -0.0065831300000000 ] - [ -0.0028379300000000, 0.0038252500000000, 0.0048974800000000 ] - [ 0.0011902100000000, 0.0001790400000000, 0.0005759700000000 ] - [ -0.0016271900000000, -0.0007245700000000, -0.0007726500000000 ] - [ 0.0001034900000000, -0.0001971400000000, -0.0000329800000000 ] - [ -0.0002028000000000, 0.0001290600000000, 0.0000408800000000 ] - [ -0.0001223600000000, 0.0000546100000000, 0.0000614600000000 ] - [ -0.0001287700000000, 0.0000640100000000, 0.0000930700000000 ] - [ 0.0053363600000000, 0.0021134500000000, -0.0047226100000000 ] - [ -0.0064178800000000, -0.0015121700000000, 0.0034195400000000 ] - [ 0.0203632700000000, -0.0078817300000000, 0.0059789200000000 ] - [ -0.0086842500000000, 0.0024016800000000, 0.0021817100000000 ] - [ -0.0001126900000000, -0.0002550600000000, 0.0000072000000000 ] - [ -0.0001132300000000, -0.0002572200000000, 0.0000091000000000 ] - [ 0.0014326600000000, 0.0003974800000000, -0.0007858100000000 ] - [ -0.0017551600000000, -0.0008305100000000, 0.0004600000000000 ] - [ 0.0000784400000000, 0.0001758400000000, -0.0000435500000000 ] - [ -0.0002399800000000, 0.0001543600000000, -0.0003125000000000 ] - [ 0.0271000100000000, 0.0151616200000000, -0.0112166800000000 ] - [ -0.0087807500000000, -0.0020415500000000, -0.0023252600000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000352300000000, -0.0002975900000000, -0.0002078400000000 ] - [ 0.0000329400000000, -0.0002636300000000, -0.0000795300000000 ] - [ 0.0020953300000000, 0.0010927600000000, 0.0052348900000000 ] - [ -0.0013941600000000, 0.0003152500000000, -0.0039218500000000 ] - [ 0.0001083200000000, -0.0003157900000000, -0.0002075100000000 ] - [ -0.0001039200000000, -0.0002466800000000, -0.0000859600000000 ] - [ 0.0042711600000000, -0.0005146900000000, -0.0018037100000000 ] - [ -0.0047210600000000, 0.0013779800000000, 0.0024223200000000 ] - [ 0.1294192300000000, 0.0121176100000000, -0.0023260400000000 ] - [ -0.0150970700000000, 0.0000028700000000, 0.0002360700000000 ] - [ 0.0002515500000000, 0.0000209100000000, 0.0000319700000000 ] - [ 0.0002480300000000, 0.0000218300000000, 0.0000348900000000 ] - [ -0.0000640500000000, -0.0002709300000000, -0.0001637600000000 ] - [ -0.0000851400000000, -0.0002845800000000, -0.0001629200000000 ] - [ -0.0002504900000000, 0.0000198400000000, 0.0000342300000000 ] - [ -0.0002450900000000, 0.0000192800000000, 0.0000328000000000 ] - [ -0.0001399600000000, -0.0000372000000000, -0.0002119300000000 ] - [ -0.0003702000000000, -0.0000018700000000, -0.0001391500000000 ] - [ 0.0386604700000000, -0.0010004400000000, -0.0033154300000000 ] - [ -0.0097481600000000, 0.0001596100000000, -0.0004334600000000 ] - [ 0.0001329900000000, -0.0004057200000000, -0.0009000300000000 ] - [ -0.0002549900000000, -0.0001529100000000, 0.0008323800000000 ] - [ 0.0002113600000000, -0.0000430200000000, 0.0003811100000000 ] - [ -0.0002843000000000, 0.0006353900000000, -0.0004443200000000 ] - [ 0.0002543400000000, -0.0000557700000000, -0.0002801200000000 ] - [ 0.0002549100000000, 0.0000102700000000, -0.0000692500000000 ] - [ 0.0000804300000000, -0.0002820100000000, -0.0001581100000000 ] - [ 0.0000657700000000, -0.0002703600000000, -0.0001679100000000 ] - [ 0.0004100500000000, -0.0002347100000000, 0.0037771100000000 ] - [ 0.0004552400000000, 0.0002778400000000, -0.0041938000000000 ] - [ 0.0049771700000000, 0.0000630500000000, 0.0001177000000000 ] - [ -0.0063501300000000, -0.0000882800000000, -0.0003579800000000 ] - [ 0.0009786700000000, -0.0002906100000000, -0.0000192600000000 ] - [ -0.0008545200000000, -0.0002939500000000, -0.0000207900000000 ] - [ -0.0246279100000000, 0.0008580300000000, -0.0057092600000000 ] - [ -0.0256842100000000, -0.0017379900000000, 0.0057813100000000 ] - [ 0.0007074800000000, 0.0005530400000000, -0.0000882700000000 ] - [ -0.0006420800000000, 0.0000415300000000, 0.0000295700000000 ] - [ -0.0157378000000000, -0.0018398800000000, -0.0229203200000000 ] - [ -0.0193480300000000, 0.0018266500000000, 0.0194631000000000 ] - [ 0.0000057600000000, 0.0000008500000000, 0.0000423300000000 ] - [ -0.0000005200000000, 0.0000015400000000, 0.0000415500000000 ] - [ -0.0005430900000000, -0.0002036500000000, 0.0026043400000000 ] - [ 0.0002216400000000, 0.0002928800000000, -0.0028551900000000 ] - [ -0.0000104200000000, 0.0000020000000000, 0.0000408400000000 ] - [ 0.0000054100000000, 0.0000015500000000, 0.0000429200000000 ] - [ -0.0041042200000000, 0.0003723300000000, -0.0000248600000000 ] - [ 0.0047104400000000, -0.0000057200000000, -0.0003127900000000 ] - [ 0.0001447700000000, 0.0000684200000000, 0.0001592900000000 ] - [ 0.0001547600000000, 0.0000626200000000, 0.0001422200000000 ] - [ -0.0000881800000000, -0.0001580000000000, 0.0001745600000000 ] - [ -0.0000812900000000, -0.0001567600000000, 0.0001709500000000 ] - [ -0.0000462300000000, -0.0000482300000000, -0.0000211600000000 ] - [ -0.0000220600000000, -0.0000248300000000, -0.0000614600000000 ] - [ -0.0004828400000000, -0.0003440000000000, 0.0007715600000000 ] - [ 0.0005017900000000, 0.0002641500000000, -0.0003184400000000 ] - [ -0.0002685700000000, -0.0000743200000000, 0.0003633000000000 ] - [ 0.0002499700000000, 0.0000900100000000, 0.0000386400000000 ] - [ 0.0000743000000000, 0.0002315800000000, 0.0000777800000000 ] - [ 0.0001637500000000, 0.0002734900000000, -0.0000664900000000 ] - [ -0.0002122900000000, 0.0000659900000000, -0.0001389600000000 ] - [ -0.0000460000000000, 0.0000578600000000, -0.0000138500000000 ] - [ 0.0000623600000000, 0.0000731900000000, -0.0000495500000000 ] - [ 0.0002009900000000, 0.0000575400000000, -0.0001055900000000 ] - [ 0.0000323600000000, -0.0000384600000000, -0.0000580700000000 ] - [ 0.0000397100000000, -0.0000385700000000, -0.0000141700000000 ] - [ 0.0001223000000000, -0.0002447900000000, 0.0000975600000000 ] - [ 0.0001250100000000, -0.0002440400000000, 0.0000965100000000 ] - [ 0.0000818500000000, -0.0001566700000000, 0.0001717600000000 ] - [ 0.0000883200000000, -0.0001572700000000, 0.0001746900000000 ] - [ -0.0205601800000000, 0.0145017900000000, 0.0111814700000000 ] - [ 0.0089456600000000, -0.0021133000000000, 0.0014782600000000 ] - [ -0.0014335300000000, 0.0002521800000000, 0.0004887100000000 ] - [ 0.0016278200000000, -0.0006772900000000, -0.0006416700000000 ] - [ -0.0002214600000000, 0.0001997600000000, 0.0000513300000000 ] - [ -0.0000152700000000, 0.0002989300000000, -0.0000432200000000 ] - [ -0.0027514400000000, 0.0006185900000000, -0.0016232000000000 ] - [ 0.0034052900000000, -0.0002703500000000, 0.0023565400000000 ] - [ -0.0008815300000000, -0.0004549900000000, 0.0004197300000000 ] - [ 0.0006144900000000, 0.0003656200000000, -0.0006393300000000 ] - [ -0.0011346000000000, 0.0003299300000000, -0.0007419400000000 ] - [ 0.0015962100000000, -0.0008543400000000, 0.0007673800000000 ] - [ -0.0004476300000000, 0.0003706800000000, 0.0006233500000000 ] - [ 0.0007908700000000, -0.0005985000000000, -0.0009095600000000 ] - [ -0.0250143900000000, -0.0168716900000000, -0.0146365400000000 ] - [ 0.0087969100000000, 0.0026114800000000, -0.0009145800000000 ] - [ -0.0000912000000000, 0.0001906500000000, -0.0000682800000000 ] - [ 0.0002315900000000, 0.0001272400000000, -0.0000698300000000 ] - [ -0.0003416600000000, 0.0003412700000000, -0.0010791000000000 ] - [ 0.0003411300000000, -0.0004505300000000, 0.0015087200000000 ] - [ -0.0031512100000000, -0.0001569300000000, 0.0012307800000000 ] - [ 0.0021690400000000, 0.0003702200000000, -0.0000243800000000 ] - [ -0.0045185700000000, 0.0039789300000000, 0.0064055000000000 ] - [ 0.0028447400000000, -0.0037850500000000, -0.0050886500000000 ] - [ -0.0014112700000000, -0.0006752300000000, -0.0006822200000000 ] - [ 0.0013906800000000, 0.0002195700000000, 0.0006757300000000 ] - [ -0.0001333500000000, 0.0001638600000000, 0.0002373600000000 ] - [ 0.0001822600000000, -0.0001666100000000, 0.0001748000000000 ] - [ -0.0001585100000000, 0.0000735800000000, 0.0001677900000000 ] - [ -0.0001497800000000, 0.0000640400000000, 0.0001347000000000 ] - [ -0.0053422100000000, -0.0020726900000000, 0.0045151800000000 ] - [ 0.0063967600000000, 0.0015402200000000, -0.0036600700000000 ] - [ -0.0198156200000000, 0.0074801800000000, -0.0051875100000000 ] - [ 0.0085279200000000, -0.0020554400000000, -0.0019596500000000 ] - [ -0.0001242600000000, -0.0002459100000000, 0.0000969200000000 ] - [ -0.0001241400000000, -0.0002439900000000, 0.0000952700000000 ] - [ -0.0016008100000000, -0.0007260700000000, 0.0005358900000000 ] - [ 0.0016097300000000, 0.0005120400000000, -0.0007020000000000 ] - [ -0.0002287500000000, 0.0001470100000000, -0.0002028800000000 ] - [ 0.0000894400000000, 0.0001707600000000, 0.0000648300000000 ] - [ -0.0275852600000000, -0.0155732500000000, 0.0120680100000000 ] - [ 0.0090194000000000, 0.0025578500000000, 0.0024051800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000036900000000, -0.0002848200000000, -0.0000288400000000 ] - [ 0.0000107100000000, -0.0002774500000000, -0.0000161200000000 ] - [ 0.0009387500000000, 0.0003435500000000, -0.0005883500000000 ] - [ -0.0010917600000000, -0.0006509000000000, -0.0011145300000000 ] - [ 0.0000016800000000, -0.0002794600000000, -0.0000324900000000 ] - [ -0.0000005100000000, -0.0002763300000000, -0.0000333800000000 ] - [ 0.0001311900000000, 0.0005927000000000, -0.0003133100000000 ] - [ 0.0001451800000000, 0.0004767500000000, 0.0014550800000000 ] - [ -0.0119598800000000, -0.1134022800000000, -0.0016165300000000 ] - [ 0.0002231300000000, -0.0019294100000000, -0.0003004100000000 ] - [ 0.0002480300000000, 0.0000208200000000, 0.0000774000000000 ] - [ 0.0002482600000000, 0.0000201700000000, 0.0000797700000000 ] - [ -0.0000704100000000, -0.0002764200000000, -0.0000801600000000 ] - [ -0.0000709300000000, -0.0002744400000000, -0.0000800700000000 ] - [ -0.0002477200000000, 0.0000221700000000, 0.0000785100000000 ] - [ -0.0002486000000000, 0.0000215800000000, 0.0000796100000000 ] - [ -0.0002652700000000, -0.0000285600000000, -0.0001165000000000 ] - [ -0.0002333300000000, -0.0000177700000000, -0.0000820200000000 ] - [ -0.0014018100000000, 0.0321173700000000, -0.0109317200000000 ] - [ 0.0000834700000000, 0.0008239400000000, -0.0004222100000000 ] - [ -0.0001178400000000, -0.0002852400000000, 0.0000597000000000 ] - [ 0.0000019600000000, -0.0003108400000000, 0.0000313700000000 ] - [ 0.0000869600000000, 0.0002724700000000, 0.0000362500000000 ] - [ -0.0002167300000000, 0.0002802200000000, 0.0000979600000000 ] - [ 0.0002169100000000, -0.0000199200000000, -0.0001070700000000 ] - [ 0.0002825700000000, -0.0000201700000000, -0.0001153700000000 ] - [ 0.0000707800000000, -0.0002766600000000, -0.0000801400000000 ] - [ 0.0000713700000000, -0.0002766600000000, -0.0000805700000000 ] - [ 0.0005358300000000, -0.0002001500000000, -0.0001067500000000 ] - [ -0.0000354600000000, -0.0001984100000000, -0.0000564300000000 ] - [ -0.0002934700000000, 0.0007774000000000, -0.0002480400000000 ] - [ -0.0001342000000000, 0.0001025700000000, 0.0000795200000000 ] - [ 0.0000346000000000, -0.0002798500000000, -0.0000119100000000 ] - [ 0.0000861400000000, -0.0002586800000000, 0.0000845400000000 ] - [ 0.0005256900000000, 0.0275120400000000, 0.0003718800000000 ] - [ -0.0018960200000000, 0.0230102200000000, 0.0013382700000000 ] - [ 0.0000360800000000, 0.0003251900000000, -0.0000810900000000 ] - [ 0.0001150300000000, 0.0002386100000000, 0.0001619400000000 ] - [ 0.0031814500000000, -0.0128345800000000, 0.0042497300000000 ] - [ -0.0045359800000000, -0.0124970800000000, 0.0028980500000000 ] - [ -0.0000026500000000, -0.0000003500000000, 0.0000084000000000 ] - [ 0.0000039100000000, -0.0000000300000000, 0.0000074900000000 ] - [ -0.0003256300000000, -0.0002782400000000, -0.0002131900000000 ] - [ -0.0000206600000000, -0.0001867600000000, 0.0000456700000000 ] - [ 0.0000013300000000, 0.0000006700000000, 0.0000083400000000 ] - [ -0.0000026900000000, 0.0000006100000000, 0.0000057400000000 ] - [ -0.0000050600000000, -0.0004396200000000, -0.0001197400000000 ] - [ 0.0001189000000000, 0.0003643400000000, -0.0001560900000000 ] - [ 0.0001419800000000, 0.0000639600000000, 0.0001278600000000 ] - [ 0.0001429500000000, 0.0000635500000000, 0.0001250100000000 ] - [ -0.0000735900000000, -0.0001668600000000, 0.0001352600000000 ] - [ -0.0000738200000000, -0.0001677500000000, 0.0001356600000000 ] - [ -0.0000210000000000, -0.0000232900000000, -0.0000726900000000 ] - [ -0.0000206900000000, -0.0000240700000000, -0.0000744000000000 ] - [ -0.0000563500000000, -0.0001713500000000, 0.0003189300000000 ] - [ 0.0000948100000000, 0.0001100500000000, -0.0001432000000000 ] - [ 0.0000235700000000, -0.0000095700000000, 0.0001029700000000 ] - [ -0.0000114200000000, -0.0000259100000000, 0.0001128000000000 ] - [ 0.0001523400000000, 0.0002323900000000, -0.0000446000000000 ] - [ 0.0000803800000000, 0.0002562800000000, -0.0000523400000000 ] - [ -0.0001410800000000, 0.0000638000000000, -0.0001118600000000 ] - [ -0.0001329900000000, 0.0000635500000000, -0.0001084900000000 ] - [ 0.0001297700000000, 0.0000578100000000, -0.0001058300000000 ] - [ 0.0001387100000000, 0.0000596400000000, -0.0001129900000000 ] - [ 0.0000203100000000, -0.0000213300000000, -0.0000771000000000 ] - [ 0.0000213100000000, -0.0000226500000000, -0.0000745800000000 ] - [ 0.0001169200000000, -0.0002512300000000, 0.0000662100000000 ] - [ 0.0001167800000000, -0.0002515000000000, 0.0000659700000000 ] - [ 0.0000743500000000, -0.0001668900000000, 0.0001352800000000 ] - [ 0.0000736100000000, -0.0001664400000000, 0.0001358200000000 ] - [ -0.0073462100000000, 0.0159318300000000, 0.0119281800000000 ] - [ -0.0029044800000000, -0.0002139300000000, 0.0014201800000000 ] - [ 0.0002038900000000, -0.0004078000000000, -0.0001502200000000 ] - [ -0.0000101800000000, -0.0000684300000000, -0.0001340700000000 ] - [ -0.0000865000000000, 0.0002680500000000, -0.0000353800000000 ] - [ -0.0001430200000000, 0.0002561300000000, -0.0000587400000000 ] - [ -0.0003078100000000, -0.0001030200000000, 0.0002722800000000 ] - [ 0.0003070400000000, -0.0005619100000000, 0.0000530200000000 ] - [ 0.0000017900000000, 0.0000276800000000, -0.0000529100000000 ] - [ -0.0005733900000000, -0.0003094700000000, -0.0002637400000000 ] - [ 0.0000796400000000, -0.0003799600000000, 0.0000079700000000 ] - [ 0.0001619700000000, -0.0002611100000000, -0.0000953000000000 ] - [ 0.0002097500000000, -0.0001228300000000, 0.0000651400000000 ] - [ -0.0002590800000000, 0.0001744100000000, -0.0001116400000000 ] - [ 0.0139059900000000, 0.0195649300000000, 0.0136430000000000 ] - [ 0.0029182200000000, 0.0000999800000000, 0.0016551600000000 ] - [ 0.0000501300000000, 0.0001824000000000, -0.0000739500000000 ] - [ 0.0000941700000000, 0.0001725400000000, -0.0001517200000000 ] - [ -0.0000310300000000, 0.0000236000000000, 0.0002449300000000 ] - [ 0.0000171400000000, 0.0001347500000000, 0.0000206200000000 ] - [ -0.0007133000000000, -0.0000486500000000, 0.0004713600000000 ] - [ 0.0001459800000000, 0.0005663800000000, -0.0004816500000000 ] - [ 0.0014099100000000, -0.0012182400000000, -0.0003292500000000 ] - [ 0.0001065300000000, 0.0016016100000000, -0.0002608400000000 ] - [ -0.0002520200000000, -0.0004715400000000, 0.0000099700000000 ] - [ -0.0000803900000000, -0.0001719800000000, -0.0000739600000000 ] - [ 0.0000048900000000, -0.0000339700000000, 0.0000984900000000 ] - [ -0.0000274100000000, -0.0000167700000000, 0.0000808200000000 ] - [ -0.0001409500000000, 0.0000616700000000, 0.0001253600000000 ] - [ -0.0001397000000000, 0.0000602300000000, 0.0001238500000000 ] - [ -0.0002209100000000, 0.0000928100000000, 0.0015811300000000 ] - [ 0.0020467500000000, -0.0000901400000000, -0.0011732900000000 ] - [ -0.0040531000000000, 0.0088312100000000, -0.0068701800000000 ] - [ -0.0021067200000000, 0.0001457700000000, -0.0009244600000000 ] - [ -0.0001170400000000, -0.0002520500000000, 0.0000655000000000 ] - [ -0.0001170700000000, -0.0002517600000000, 0.0000653000000000 ] - [ -0.0000136300000000, -0.0002796200000000, -0.0000620500000000 ] - [ -0.0001823100000000, -0.0002001500000000, -0.0001462300000000 ] - [ -0.0000890500000000, 0.0001410700000000, -0.0000958000000000 ] - [ -0.0000511100000000, 0.0001756300000000, -0.0001475200000000 ] - [ 0.0109454300000000, 0.0155730000000000, -0.0139260800000000 ] - [ 0.0023407200000000, 0.0006131800000000, -0.0009191600000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000010700000000, -0.0002728100000000, 0.0000265200000000 ] - [ -0.0000069300000000, -0.0002784100000000, 0.0000107600000000 ] - [ -0.0009449100000000, 0.0001995200000000, 0.0005741300000000 ] - [ 0.0010835300000000, 0.0012054300000000, 0.0010980600000000 ] - [ -0.0000011600000000, -0.0002796600000000, 0.0000259800000000 ] - [ 0.0000028900000000, -0.0002810200000000, 0.0000277000000000 ] - [ -0.0001146300000000, -0.0000355800000000, 0.0003066100000000 ] - [ -0.0001524300000000, 0.0000840800000000, -0.0014492900000000 ] - [ 0.0126335400000000, 0.1134078300000000, -0.0012871000000000 ] - [ 0.0002766400000000, 0.0018863300000000, 0.0004601700000000 ] - [ 0.0002503300000000, 0.0000209200000000, 0.0001034700000000 ] - [ 0.0002494300000000, 0.0000220500000000, 0.0001017700000000 ] - [ -0.0000662500000000, -0.0002773000000000, -0.0000480400000000 ] - [ -0.0000656100000000, -0.0002797600000000, -0.0000489100000000 ] - [ -0.0002507300000000, 0.0000204700000000, 0.0001026300000000 ] - [ -0.0002488300000000, 0.0000203300000000, 0.0001014500000000 ] - [ -0.0002319000000000, -0.0000128300000000, -0.0000706300000000 ] - [ -0.0002666300000000, -0.0000225900000000, -0.0001051800000000 ] - [ 0.0012802000000000, -0.0316312900000000, 0.0110828800000000 ] - [ -0.0002182900000000, -0.0002765500000000, 0.0002926200000000 ] - [ -0.0000266800000000, -0.0002745400000000, 0.0000643000000000 ] - [ -0.0001304200000000, -0.0002440500000000, 0.0000891700000000 ] - [ -0.0002232500000000, 0.0002830100000000, 0.0000868200000000 ] - [ 0.0000808500000000, 0.0002771000000000, 0.0000251000000000 ] - [ 0.0002814000000000, -0.0000230900000000, -0.0000805900000000 ] - [ 0.0002155100000000, -0.0000230900000000, -0.0000708200000000 ] - [ 0.0000665300000000, -0.0002778900000000, -0.0000486600000000 ] - [ 0.0000646500000000, -0.0002782300000000, -0.0000477700000000 ] - [ 0.0000257600000000, 0.0002392500000000, -0.0000921600000000 ] - [ 0.0004747700000000, 0.0002412500000000, -0.0001382600000000 ] - [ -0.0002076500000000, -0.0007320900000000, 0.0000419800000000 ] - [ -0.0003548100000000, -0.0000600200000000, -0.0002171700000000 ] - [ 0.0000962700000000, -0.0002755600000000, 0.0001232200000000 ] - [ 0.0000576500000000, -0.0002916000000000, 0.0000448200000000 ] - [ -0.0012246300000000, -0.0275622900000000, -0.0000727300000000 ] - [ 0.0015462900000000, -0.0230805100000000, -0.0010635000000000 ] - [ 0.0001039400000000, 0.0002296400000000, 0.0002034400000000 ] - [ 0.0000188200000000, 0.0003154800000000, -0.0000376400000000 ] - [ -0.0030519300000000, 0.0134136800000000, -0.0043667700000000 ] - [ 0.0046697000000000, 0.0130667400000000, -0.0030331400000000 ] - [ 0.0000031700000000, 0.0000003400000000, -0.0000069600000000 ] - [ -0.0000036500000000, 0.0000003900000000, -0.0000063400000000 ] - [ 0.0002878000000000, 0.0002761500000000, 0.0001702900000000 ] - [ 0.0000516100000000, 0.0001891500000000, -0.0000814200000000 ] - [ -0.0000017100000000, -0.0000008100000000, -0.0000063100000000 ] - [ 0.0000022200000000, -0.0000003000000000, -0.0000054100000000 ] - [ 0.0000071800000000, 0.0004607400000000, 0.0001191100000000 ] - [ -0.0001184000000000, -0.0003644700000000, 0.0001496200000000 ] - [ 0.0001364500000000, 0.0000611800000000, 0.0001107600000000 ] - [ 0.0001322300000000, 0.0000561900000000, 0.0001117900000000 ] - [ -0.0000723900000000, -0.0001669100000000, 0.0001178100000000 ] - [ -0.0000712600000000, -0.0001673900000000, 0.0001183900000000 ] - [ -0.0000122200000000, -0.0000165500000000, -0.0001033100000000 ] - [ -0.0000108500000000, -0.0000145200000000, -0.0001062500000000 ] - [ 0.0000842900000000, 0.0002078900000000, -0.0001307600000000 ] - [ -0.0000674000000000, -0.0000726300000000, 0.0003338600000000 ] - [ 0.0000072700000000, -0.0000263900000000, 0.0000810300000000 ] - [ 0.0000363300000000, -0.0000140200000000, 0.0000739300000000 ] - [ 0.0000816900000000, 0.0002720800000000, -0.0000651900000000 ] - [ 0.0001508500000000, 0.0002486900000000, -0.0000572800000000 ] - [ -0.0001367100000000, 0.0000607300000000, -0.0001248200000000 ] - [ -0.0001402700000000, 0.0000575300000000, -0.0001262000000000 ] - [ 0.0001481600000000, 0.0000665300000000, -0.0001297000000000 ] - [ 0.0001421500000000, 0.0000679600000000, -0.0001236500000000 ] - [ 0.0000139000000000, -0.0000188600000000, -0.0000987800000000 ] - [ 0.0000120200000000, -0.0000182300000000, -0.0000992500000000 ] - [ 0.0001165900000000, -0.0002522600000000, 0.0000478500000000 ] - [ 0.0001161300000000, -0.0002523900000000, 0.0000487200000000 ] - [ 0.0000718900000000, -0.0001663800000000, 0.0001182500000000 ] - [ 0.0000724100000000, -0.0001662900000000, 0.0001188800000000 ] - [ 0.0062451000000000, -0.0145909000000000, -0.0110836600000000 ] - [ 0.0026759900000000, 0.0007191500000000, -0.0013175000000000 ] - [ -0.0000400700000000, 0.0000726000000000, -0.0000888600000000 ] - [ 0.0001403700000000, -0.0002477200000000, -0.0001211100000000 ] - [ -0.0001453800000000, 0.0002370600000000, -0.0000751700000000 ] - [ -0.0000920800000000, 0.0002481300000000, -0.0000510600000000 ] - [ 0.0005717400000000, -0.0000112000000000, -0.0000349500000000 ] - [ -0.0000417600000000, 0.0004417400000000, 0.0001747200000000 ] - [ -0.0002740700000000, -0.0001491300000000, -0.0001802500000000 ] - [ 0.0003058400000000, 0.0001966400000000, 0.0000297300000000 ] - [ 0.0001348100000000, -0.0001263700000000, -0.0001068400000000 ] - [ 0.0000831500000000, -0.0002580700000000, -0.0000209700000000 ] - [ 0.0000723100000000, -0.0000043000000000, -0.0002970300000000 ] - [ 0.0005469100000000, -0.0003095400000000, -0.0001238900000000 ] - [ -0.0128221200000000, -0.0184728500000000, -0.0127284300000000 ] - [ -0.0027716300000000, 0.0002355500000000, -0.0014131100000000 ] - [ 0.0000950100000000, 0.0001538100000000, -0.0001759100000000 ] - [ 0.0000516900000000, 0.0001632900000000, -0.0000991800000000 ] - [ -0.0000035100000000, 0.0000158200000000, -0.0000707500000000 ] - [ -0.0000479600000000, -0.0000998300000000, 0.0001619700000000 ] - [ 0.0004266900000000, -0.0000847300000000, -0.0002335800000000 ] - [ -0.0004247700000000, -0.0006919900000000, 0.0007132000000000 ] - [ -0.0013643800000000, 0.0012457400000000, 0.0002000100000000 ] - [ -0.0000879400000000, -0.0015677900000000, 0.0001149500000000 ] - [ 0.0000015800000000, -0.0000308500000000, -0.0001087000000000 ] - [ -0.0001397000000000, -0.0003153100000000, -0.0000431800000000 ] - [ -0.0000350300000000, -0.0000040500000000, 0.0000820000000000 ] - [ -0.0000056000000000, -0.0000206300000000, 0.0000967400000000 ] - [ -0.0001394700000000, 0.0000631100000000, 0.0001131900000000 ] - [ -0.0001411000000000, 0.0000667900000000, 0.0001139800000000 ] - [ 0.0002001500000000, -0.0000602900000000, -0.0017618500000000 ] - [ -0.0020548600000000, 0.0001333100000000, 0.0009733800000000 ] - [ 0.0046090900000000, -0.0092100400000000, 0.0076492600000000 ] - [ 0.0019623000000000, 0.0001879900000000, 0.0011652200000000 ] - [ -0.0001162300000000, -0.0002525200000000, 0.0000473600000000 ] - [ -0.0001166700000000, -0.0002525000000000, 0.0000482600000000 ] - [ -0.0001119000000000, -0.0000569900000000, -0.0001803500000000 ] - [ 0.0000210100000000, -0.0001490300000000, -0.0001129100000000 ] - [ -0.0000558600000000, 0.0001909000000000, -0.0001544600000000 ] - [ -0.0000937200000000, 0.0001581400000000, -0.0001035600000000 ] - [ -0.0116302200000000, -0.0159219900000000, 0.0148113400000000 ] - [ -0.0021171700000000, -0.0001106700000000, 0.0010280900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001027200000000, -0.0002545800000000, 0.0040475900000000 ] - [ -0.0001678700000000, -0.0003139400000000, 0.0039072300000000 ] - [ -0.0028384800000000, 0.0000731500000000, 0.0023151400000000 ] - [ 0.0020996800000000, 0.0004508000000000, 0.0021072900000000 ] - [ 0.0000308900000000, -0.0002689900000000, 0.0039638000000000 ] - [ 0.0001135800000000, -0.0002972200000000, 0.0037394900000000 ] - [ -0.0020521700000000, 0.0008958200000000, 0.0102384000000000 ] - [ 0.0004109100000000, 0.0001154700000000, 0.0016844700000000 ] - [ 0.0012128100000000, -0.0001926100000000, -0.1483143200000000 ] - [ 0.0001232100000000, -0.0004025800000000, -0.0068353200000000 ] - [ 0.0003189800000000, 0.0000338500000000, 0.0019521400000000 ] - [ 0.0003174700000000, 0.0000320800000000, 0.0019432200000000 ] - [ 0.0002578200000000, -0.0004511900000000, 0.0025179900000000 ] - [ 0.0002729300000000, -0.0004320000000000, 0.0024953600000000 ] - [ -0.0003177600000000, 0.0000333500000000, 0.0019504400000000 ] - [ -0.0003186000000000, 0.0000317300000000, 0.0019453700000000 ] - [ -0.0001442000000000, 0.0000025500000000, 0.0018493200000000 ] - [ -0.0002183100000000, -0.0000317600000000, 0.0017043300000000 ] - [ 0.0027522500000000, -0.0057401100000000, 0.0129425100000000 ] - [ -0.0004710500000000, 0.0002354700000000, -0.0021886800000000 ] - [ 0.0005106100000000, -0.0002256300000000, 0.0026796200000000 ] - [ -0.0013711200000000, -0.0001794800000000, 0.0026286800000000 ] - [ -0.0009470700000000, 0.0002722600000000, 0.0026660100000000 ] - [ 0.0001083700000000, 0.0000838700000000, 0.0025970800000000 ] - [ 0.0002881300000000, 0.0000005900000000, 0.0017499000000000 ] - [ 0.0000776800000000, -0.0000084100000000, 0.0017507300000000 ] - [ -0.0002771800000000, -0.0004382700000000, 0.0025053100000000 ] - [ -0.0002480000000000, -0.0004554900000000, 0.0025089500000000 ] - [ -0.0038160000000000, 0.0000614200000000, -0.0003031500000000 ] - [ 0.0041229400000000, 0.0000143500000000, -0.0003082400000000 ] - [ -0.0004552700000000, -0.0001247700000000, 0.0094987300000000 ] - [ -0.0000002800000000, 0.0001691500000000, 0.0000277900000000 ] - [ 0.0005570600000000, 0.0000842900000000, 0.0033866400000000 ] - [ 0.0002420000000000, -0.0001327900000000, 0.0018691000000000 ] - [ -0.0060461700000000, 0.0002061000000000, -0.0125440800000000 ] - [ 0.0053237200000000, 0.0011811700000000, -0.0109613100000000 ] - [ 0.0003148200000000, -0.0001266600000000, 0.0029712300000000 ] - [ 0.0003732000000000, 0.0002359500000000, 0.0023019900000000 ] - [ 0.0139523500000000, 0.0034895400000000, 0.0047696900000000 ] - [ -0.0122641800000000, 0.0018473400000000, 0.0051905300000000 ] - [ -0.0000632100000000, -0.0000367100000000, -0.0011013700000000 ] - [ -0.0000800200000000, -0.0000372900000000, -0.0010989100000000 ] - [ -0.0023562900000000, -0.0002559800000000, 0.0019690100000000 ] - [ 0.0028685300000000, -0.0001621300000000, 0.0019859100000000 ] - [ 0.0000675300000000, -0.0000379500000000, -0.0011002400000000 ] - [ 0.0000774900000000, -0.0000373800000000, -0.0010988300000000 ] - [ -0.0000283600000000, -0.0000515900000000, 0.0001670200000000 ] - [ -0.0002003800000000, -0.0000850500000000, 0.0037309100000000 ] - [ -0.0002024900000000, -0.0000161300000000, -0.0009643200000000 ] - [ -0.0001792100000000, 0.0000033100000000, -0.0009264700000000 ] - [ 0.0001133300000000, -0.0002063000000000, -0.0012281400000000 ] - [ 0.0001075600000000, -0.0002063900000000, -0.0012211600000000 ] - [ 0.0006241300000000, 0.0004960200000000, -0.0022035300000000 ] - [ 0.0006096900000000, 0.0004839300000000, -0.0021383000000000 ] - [ 0.0009511300000000, 0.0011145600000000, -0.0031474000000000 ] - [ 0.0004622700000000, 0.0003634400000000, -0.0013414500000000 ] - [ 0.0005090300000000, -0.0007158000000000, -0.0019674300000000 ] - [ 0.0008051900000000, -0.0003885800000000, -0.0017785900000000 ] - [ 0.0000761800000000, 0.0001948800000000, -0.0014243500000000 ] - [ 0.0003057600000000, 0.0001017200000000, -0.0013753900000000 ] - [ -0.0004195900000000, 0.0001602900000000, -0.0011638000000000 ] - [ -0.0005814100000000, 0.0001525200000000, -0.0012107500000000 ] - [ 0.0005655800000000, 0.0001398700000000, -0.0012563200000000 ] - [ 0.0003695100000000, 0.0001269100000000, -0.0011151200000000 ] - [ -0.0006063000000000, 0.0004922800000000, -0.0021698100000000 ] - [ -0.0006366000000000, 0.0005194800000000, -0.0022108600000000 ] - [ 0.0000300200000000, -0.0003525800000000, -0.0012768100000000 ] - [ 0.0000298300000000, -0.0003541600000000, -0.0012714900000000 ] - [ -0.0001083800000000, -0.0002056000000000, -0.0012246100000000 ] - [ -0.0001150700000000, -0.0002056100000000, -0.0012260700000000 ] - [ -0.0177549400000000, 0.0196060400000000, 0.0363178900000000 ] - [ -0.0026093100000000, -0.0000122200000000, 0.0029490000000000 ] - [ -0.0016198100000000, 0.0011341500000000, -0.0020291000000000 ] - [ 0.0009039800000000, -0.0001182200000000, -0.0009313200000000 ] - [ -0.0002943500000000, 0.0001480900000000, -0.0014166300000000 ] - [ -0.0001384800000000, 0.0001584400000000, -0.0013255500000000 ] - [ 0.0017223100000000, -0.0009540700000000, -0.0007261600000000 ] - [ -0.0009925300000000, 0.0000933000000000, -0.0008520000000000 ] - [ -0.0014556900000000, -0.0010444100000000, -0.0016597300000000 ] - [ 0.0000320800000000, 0.0001035200000000, -0.0007167700000000 ] - [ 0.0021881700000000, -0.0013864800000000, -0.0020280600000000 ] - [ -0.0004575600000000, -0.0002831400000000, -0.0008004300000000 ] - [ -0.0007644300000000, 0.0010168000000000, -0.0017010400000000 ] - [ 0.0009948300000000, -0.0004080600000000, -0.0008826300000000 ] - [ 0.0232845600000000, 0.0200114000000000, 0.0364797700000000 ] - [ 0.0030709000000000, 0.0007776400000000, 0.0025834900000000 ] - [ 0.0003748800000000, 0.0001180500000000, -0.0016002400000000 ] - [ 0.0001842100000000, 0.0001416200000000, -0.0013676000000000 ] - [ -0.0003107700000000, 0.0003348500000000, -0.0017007600000000 ] - [ -0.0008434200000000, 0.0003619300000000, -0.0017225800000000 ] - [ 0.0019276100000000, 0.0007655100000000, -0.0016843500000000 ] - [ -0.0007109100000000, -0.0001280500000000, -0.0001207400000000 ] - [ -0.0012196400000000, 0.0001681900000000, 0.0005049200000000 ] - [ 0.0011407300000000, -0.0008944500000000, 0.0004637300000000 ] - [ 0.0016422300000000, 0.0012093100000000, -0.0021324300000000 ] - [ -0.0008489600000000, -0.0002285000000000, -0.0007951700000000 ] - [ -0.0009442500000000, -0.0004476300000000, -0.0022959000000000 ] - [ -0.0003693300000000, -0.0006181500000000, -0.0019247600000000 ] - [ 0.0001927200000000, -0.0000247000000000, -0.0009549900000000 ] - [ 0.0002279000000000, -0.0000383400000000, -0.0009312100000000 ] - [ -0.0027449500000000, 0.0007709100000000, -0.0098459400000000 ] - [ 0.0012072000000000, 0.0006037500000000, 0.0000211900000000 ] - [ 0.0117957100000000, -0.0154680900000000, 0.0287831500000000 ] - [ 0.0015964300000000, -0.0000772900000000, 0.0020439700000000 ] - [ -0.0000307700000000, -0.0003526200000000, -0.0012753900000000 ] - [ -0.0000275400000000, -0.0003547600000000, -0.0012715200000000 ] - [ -0.0022263600000000, -0.0012058100000000, -0.0021254700000000 ] - [ 0.0004184600000000, -0.0002106100000000, -0.0009832500000000 ] - [ -0.0001307300000000, 0.0001646100000000, -0.0015212300000000 ] - [ -0.0003306600000000, 0.0000819900000000, -0.0014134700000000 ] - [ -0.0195524200000000, -0.0236356100000000, 0.0397538100000000 ] - [ -0.0014529600000000, -0.0003466900000000, 0.0022732200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001090200000000, -0.0003022100000000, -0.0040651000000000 ] - [ 0.0001729700000000, -0.0002416000000000, -0.0039303500000000 ] - [ 0.0028097200000000, 0.0004766400000000, -0.0023639800000000 ] - [ -0.0020726200000000, 0.0000988200000000, -0.0021739900000000 ] - [ -0.0000303900000000, -0.0002913000000000, -0.0039846200000000 ] - [ -0.0001119900000000, -0.0002607600000000, -0.0037595300000000 ] - [ 0.0020165300000000, -0.0003254000000000, -0.0101468800000000 ] - [ -0.0004237500000000, 0.0004490500000000, -0.0017222300000000 ] - [ -0.0005312400000000, 0.0001374300000000, 0.1466781500000000 ] - [ 0.0003676300000000, 0.0003578500000000, 0.0070788300000000 ] - [ 0.0001790900000000, 0.0000079700000000, -0.0017783200000000 ] - [ 0.0001793500000000, 0.0000103300000000, -0.0017686400000000 ] - [ -0.0003965600000000, -0.0001016800000000, -0.0026592000000000 ] - [ -0.0004122600000000, -0.0001220400000000, -0.0026375300000000 ] - [ -0.0001804100000000, 0.0000089800000000, -0.0017764000000000 ] - [ -0.0001779000000000, 0.0000101800000000, -0.0017712600000000 ] - [ -0.0003523700000000, -0.0000436600000000, -0.0020428800000000 ] - [ -0.0002823100000000, -0.0000088500000000, -0.0019000700000000 ] - [ -0.0028819100000000, 0.0061515900000000, -0.0131371200000000 ] - [ 0.0003318600000000, 0.0003171300000000, 0.0020466000000000 ] - [ -0.0006526700000000, -0.0003309800000000, -0.0025635200000000 ] - [ 0.0012415400000000, -0.0003728000000000, -0.0025160000000000 ] - [ 0.0008033200000000, 0.0002866300000000, -0.0025512900000000 ] - [ -0.0002365600000000, 0.0004740200000000, -0.0024826700000000 ] - [ 0.0002119300000000, -0.0000437400000000, -0.0019456000000000 ] - [ 0.0004190500000000, -0.0000350800000000, -0.0019450600000000 ] - [ 0.0004168600000000, -0.0001153600000000, -0.0026471200000000 ] - [ 0.0003855700000000, -0.0000978000000000, -0.0026499400000000 ] - [ 0.0043393300000000, -0.0000201100000000, 0.0001373300000000 ] - [ -0.0036501000000000, 0.0000288000000000, 0.0001323500000000 ] - [ -0.0000423400000000, 0.0001658900000000, -0.0097830300000000 ] - [ -0.0004973700000000, -0.0001273400000000, -0.0002059900000000 ] - [ -0.0004271200000000, -0.0006431100000000, -0.0032764100000000 ] - [ -0.0000997000000000, -0.0004219500000000, -0.0017487600000000 ] - [ 0.0056654600000000, -0.0002390000000000, 0.0129042200000000 ] - [ -0.0059627900000000, -0.0012209900000000, 0.0113094100000000 ] - [ -0.0001780400000000, 0.0006777900000000, -0.0028523400000000 ] - [ -0.0002405100000000, 0.0003198500000000, -0.0021915700000000 ] - [ -0.0136945300000000, -0.0028990500000000, -0.0049622500000000 ] - [ 0.0123539600000000, -0.0012753500000000, -0.0053479700000000 ] - [ 0.0000639400000000, 0.0000367700000000, 0.0011071500000000 ] - [ 0.0000803800000000, 0.0000376200000000, 0.0011043800000000 ] - [ 0.0023708400000000, 0.0002571200000000, -0.0019810100000000 ] - [ -0.0028884600000000, 0.0001631000000000, -0.0020033400000000 ] - [ -0.0000680100000000, 0.0000380600000000, 0.0011065700000000 ] - [ -0.0000779700000000, 0.0000379600000000, 0.0011036200000000 ] - [ 0.0000281300000000, 0.0000538500000000, -0.0002082800000000 ] - [ 0.0002076000000000, 0.0000859600000000, -0.0037570600000000 ] - [ 0.0004830500000000, 0.0001404000000000, 0.0012076400000000 ] - [ 0.0004562100000000, 0.0001152200000000, 0.0011680500000000 ] - [ -0.0002607500000000, -0.0001265700000000, 0.0014864500000000 ] - [ -0.0002544500000000, -0.0001277400000000, 0.0014803200000000 ] - [ -0.0006596000000000, -0.0005385200000000, 0.0020322900000000 ] - [ -0.0006437500000000, -0.0005246300000000, 0.0019617100000000 ] - [ -0.0009189200000000, -0.0010682900000000, 0.0033276100000000 ] - [ -0.0004394800000000, -0.0003299300000000, 0.0015494700000000 ] - [ -0.0004798600000000, 0.0006822200000000, 0.0021615800000000 ] - [ -0.0007809600000000, 0.0003518900000000, 0.0019745300000000 ] - [ 0.0001560800000000, 0.0003103800000000, 0.0013212300000000 ] - [ -0.0000726000000000, 0.0004026100000000, 0.0012732900000000 ] - [ 0.0001416800000000, -0.0000365100000000, 0.0009306100000000 ] - [ 0.0003089200000000, -0.0000328700000000, 0.0009791300000000 ] - [ -0.0002858400000000, -0.0000136800000000, 0.0010245800000000 ] - [ -0.0000858300000000, 0.0000034700000000, 0.0008825900000000 ] - [ 0.0006440900000000, -0.0005355300000000, 0.0020009900000000 ] - [ 0.0006730800000000, -0.0005635000000000, 0.0020438600000000 ] - [ 0.0002046900000000, -0.0001501100000000, 0.0013938900000000 ] - [ 0.0002043000000000, -0.0001490400000000, 0.0013892200000000 ] - [ 0.0002562200000000, -0.0001266100000000, 0.0014833400000000 ] - [ 0.0002626300000000, -0.0001260900000000, 0.0014858900000000 ] - [ 0.0167066900000000, -0.0182941100000000, -0.0357173500000000 ] - [ 0.0024215400000000, 0.0004893400000000, -0.0028493000000000 ] - [ 0.0017795300000000, -0.0014836200000000, 0.0017902600000000 ] - [ -0.0007616600000000, -0.0002166200000000, 0.0006798700000000 ] - [ 0.0000606400000000, 0.0003566300000000, 0.0013129800000000 ] - [ -0.0000959900000000, 0.0003456600000000, 0.0012239300000000 ] - [ -0.0014198000000000, 0.0008169700000000, 0.0009757000000000 ] - [ 0.0012718700000000, -0.0002118800000000, 0.0011029600000000 ] - [ 0.0011665900000000, 0.0009068900000000, 0.0014235100000000 ] - [ -0.0002954300000000, -0.0002159500000000, 0.0004912300000000 ] - [ -0.0019742700000000, 0.0008964300000000, 0.0019321300000000 ] - [ 0.0006975300000000, -0.0002196600000000, 0.0006926800000000 ] - [ 0.0010234700000000, -0.0011198000000000, 0.0014618700000000 ] - [ -0.0007035600000000, 0.0002719700000000, 0.0006552100000000 ] - [ -0.0222527100000000, -0.0188834300000000, -0.0358216900000000 ] - [ -0.0029568700000000, -0.0004669600000000, -0.0023502600000000 ] - [ -0.0002278800000000, 0.0002168700000000, 0.0013541000000000 ] - [ -0.0000394900000000, 0.0001934900000000, 0.0011239400000000 ] - [ 0.0002837700000000, -0.0002992400000000, 0.0018933500000000 ] - [ 0.0008112300000000, -0.0003290200000000, 0.0019222200000000 ] - [ -0.0022031800000000, -0.0008845500000000, 0.0019337400000000 ] - [ 0.0004229400000000, -0.0000043300000000, 0.0003676300000000 ] - [ 0.0012711200000000, -0.0001273500000000, -0.0005959100000000 ] - [ -0.0011189500000000, 0.0009431200000000, -0.0005896700000000 ] - [ -0.0018933500000000, -0.0017283800000000, 0.0020369400000000 ] - [ 0.0006227600000000, -0.0002745400000000, 0.0006867100000000 ] - [ 0.0009166500000000, 0.0004100000000000, 0.0024888800000000 ] - [ 0.0003389400000000, 0.0005807000000000, 0.0021149500000000 ] - [ -0.0004775600000000, 0.0001515100000000, 0.0011980400000000 ] - [ -0.0005141900000000, 0.0001683000000000, 0.0011734100000000 ] - [ 0.0026615900000000, -0.0006739200000000, 0.0095184700000000 ] - [ -0.0012440000000000, -0.0005644000000000, -0.0001974800000000 ] - [ -0.0113035600000000, 0.0151410100000000, -0.0281957800000000 ] - [ -0.0017726800000000, 0.0004305900000000, -0.0018131800000000 ] - [ -0.0002039300000000, -0.0001509100000000, 0.0013916900000000 ] - [ -0.0002070300000000, -0.0001486600000000, 0.0013884100000000 ] - [ 0.0020991800000000, 0.0008835500000000, 0.0018881300000000 ] - [ -0.0005684900000000, -0.0001187600000000, 0.0007314500000000 ] - [ -0.0000122200000000, 0.0001678100000000, 0.0012755800000000 ] - [ 0.0001845700000000, 0.0002506000000000, 0.0011688700000000 ] - [ 0.0189092300000000, 0.0232144400000000, -0.0391213800000000 ] - [ 0.0017219400000000, 0.0008743600000000, -0.0021763900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0146796800000000, -0.0085578600000000, -0.0187268300000000 ] - [ 0.0154766000000000, -0.0016084900000000, 0.0373591100000000 ] - [ 0.0000063600000000, 0.0002666500000000, 0.0007337900000000 ] - [ -0.0000211800000000, 0.0002794800000000, 0.0006757900000000 ] - [ -0.0287759000000000, 0.0005505500000000, 0.0014076500000000 ] - [ 0.0151895400000000, 0.0010564100000000, -0.0007867400000000 ] - [ -0.0000213500000000, 0.0002700700000000, 0.0007244200000000 ] - [ 0.0000365400000000, 0.0002857500000000, 0.0006844600000000 ] - [ 0.0002504000000000, -0.0000238900000000, 0.0004166900000000 ] - [ 0.0002707600000000, -0.0000249700000000, 0.0004346700000000 ] - [ -0.0384774600000000, 0.0013796000000000, 0.0029461400000000 ] - [ 0.0099392600000000, -0.0001322400000000, -0.0003178300000000 ] - [ -0.1099624500000000, 0.0110056600000000, -0.0045647300000000 ] - [ 0.0141732300000000, 0.0009355500000000, -0.0001853100000000 ] - [ 0.0191153200000000, -0.0045938500000000, 0.0123249100000000 ] - [ 0.0155995600000000, 0.0031342700000000, -0.0138252500000000 ] - [ -0.0011689900000000, 0.0000105200000000, 0.0004007800000000 ] - [ 0.0006680400000000, -0.0000342600000000, 0.0000797200000000 ] - [ -0.0000201000000000, 0.0003092000000000, 0.0004024100000000 ] - [ -0.0000038100000000, 0.0003066800000000, 0.0004019700000000 ] - [ 0.0000815800000000, -0.0012887100000000, -0.0022137200000000 ] - [ 0.0000633300000000, 0.0009232100000000, 0.0029209000000000 ] - [ -0.0001339500000000, 0.0002310400000000, 0.0007171300000000 ] - [ -0.0001327700000000, 0.0002649900000000, 0.0003358400000000 ] - [ 0.0000630600000000, -0.0000665300000000, -0.0006707800000000 ] - [ 0.0004334300000000, 0.0000454500000000, 0.0012173300000000 ] - [ 0.0168497500000000, 0.0052979600000000, -0.0036858900000000 ] - [ 0.0177058900000000, 0.0017027600000000, -0.0079612200000000 ] - [ -0.0000266100000000, -0.0001354100000000, 0.0007876300000000 ] - [ 0.0004760100000000, 0.0001695600000000, -0.0002618000000000 ] - [ -0.0008964300000000, -0.0000128500000000, 0.0001542000000000 ] - [ 0.0004542100000000, 0.0000687000000000, 0.0002195600000000 ] - [ -0.0042646600000000, 0.0003946600000000, -0.0001270900000000 ] - [ 0.0038285200000000, -0.0010762000000000, 0.0006567800000000 ] - [ -0.0002543400000000, -0.0000216900000000, 0.0004074600000000 ] - [ -0.0002642900000000, -0.0000216400000000, 0.0004380900000000 ] - [ -0.0000913300000000, 0.0002399400000000, 0.0005600200000000 ] - [ 0.0003681100000000, 0.0002485700000000, 0.0004881400000000 ] - [ 0.0000061800000000, 0.0003033100000000, 0.0004034600000000 ] - [ 0.0000121600000000, 0.0003086600000000, 0.0004030000000000 ] - [ 0.0003336600000000, -0.0000657800000000, -0.0013933100000000 ] - [ 0.0006905100000000, 0.0000290100000000, 0.0008628900000000 ] - [ -0.0000493600000000, 0.0000035000000000, -0.0001925800000000 ] - [ 0.0000199300000000, 0.0000093900000000, -0.0002009500000000 ] - [ 0.0014229300000000, -0.0001012100000000, -0.0003134700000000 ] - [ -0.0022539400000000, -0.0000079900000000, 0.0001288600000000 ] - [ 0.0000662800000000, 0.0000075800000000, -0.0001908400000000 ] - [ -0.0000378400000000, 0.0000052600000000, -0.0002067200000000 ] - [ 0.0086092600000000, 0.0073667800000000, 0.0059155800000000 ] - [ -0.0093629300000000, -0.0049924700000000, -0.0044648900000000 ] - [ 0.0268163000000000, -0.0081144800000000, -0.0076712800000000 ] - [ -0.0075293000000000, -0.0008337600000000, 0.0011132800000000 ] - [ 0.0179296000000000, -0.0088801200000000, -0.0022090200000000 ] - [ -0.0073479500000000, 0.0012385900000000, 0.0045109600000000 ] - [ 0.0001832300000000, 0.0000999600000000, -0.0003253900000000 ] - [ 0.0000698000000000, 0.0001261700000000, -0.0002418000000000 ] - [ 0.0033710500000000, -0.0010180900000000, -0.0000947100000000 ] - [ -0.0016260300000000, 0.0001876500000000, 0.0002836300000000 ] - [ 0.0004639700000000, 0.0003562500000000, -0.0001548100000000 ] - [ -0.0002201100000000, 0.0001116200000000, -0.0004392400000000 ] - [ 0.0065433300000000, -0.0052994400000000, -0.0022398200000000 ] - [ -0.0052135000000000, 0.0035688700000000, 0.0010472700000000 ] - [ 0.0058210900000000, 0.0048874000000000, -0.0060391800000000 ] - [ -0.0062472900000000, -0.0035192400000000, 0.0020451100000000 ] - [ 0.0269054500000000, 0.0016298300000000, -0.0053850800000000 ] - [ -0.0080935400000000, -0.0015526400000000, 0.0041697800000000 ] - [ 0.0085798000000000, -0.0029545000000000, -0.0077611700000000 ] - [ -0.0077156500000000, -0.0006689300000000, 0.0015301100000000 ] - [ 0.0104629500000000, -0.0036354100000000, 0.0068551700000000 ] - [ -0.0068089200000000, 0.0010034500000000, -0.0000699600000000 ] - [ -0.0000981300000000, 0.0002690700000000, -0.0001799000000000 ] - [ -0.0001009500000000, 0.0002720200000000, -0.0001851700000000 ] - [ 0.0007652400000000, 0.0000905100000000, -0.0001000900000000 ] - [ -0.0005901100000000, -0.0004094300000000, -0.0006615000000000 ] - [ 0.0002138500000000, 0.0001372300000000, -0.0001770100000000 ] - [ -0.0005000100000000, 0.0003199400000000, -0.0004302100000000 ] - [ 0.0000762700000000, -0.0000433700000000, -0.0000753300000000 ] - [ 0.0000652000000000, -0.0000394800000000, -0.0000714300000000 ] - [ -0.0001695300000000, -0.0000718600000000, -0.0002925300000000 ] - [ -0.0002169100000000, -0.0000696600000000, -0.0003262700000000 ] - [ 0.0007062600000000, -0.0001843800000000, -0.0005828400000000 ] - [ -0.0003866400000000, -0.0002762700000000, 0.0000408200000000 ] - [ 0.0002257700000000, -0.0000767000000000, -0.0003193500000000 ] - [ 0.0001822100000000, -0.0000839900000000, -0.0003008900000000 ] - [ 0.0000471000000000, 0.0001737400000000, -0.0001168200000000 ] - [ 0.0000291900000000, 0.0001731100000000, -0.0001166100000000 ] - [ 0.0003736300000000, 0.0001779800000000, -0.0005261900000000 ] - [ -0.0001409200000000, 0.0001407100000000, -0.0002099700000000 ] - [ -0.0001077900000000, 0.0001481500000000, -0.0003256600000000 ] - [ -0.0001574400000000, 0.0000790900000000, -0.0002540600000000 ] - [ -0.0000793400000000, -0.0000496400000000, -0.0000767800000000 ] - [ -0.0000828300000000, -0.0000531200000000, -0.0000691100000000 ] - [ -0.0000943200000000, -0.0000724400000000, -0.0004542900000000 ] - [ -0.0001021700000000, -0.0000739300000000, -0.0004682900000000 ] - [ 0.0006921700000000, -0.0005249300000000, -0.0003722100000000 ] - [ -0.0008720200000000, 0.0000732900000000, -0.0001878700000000 ] - [ 0.0015508800000000, 0.0016979200000000, 0.0052478300000000 ] - [ -0.0026799200000000, -0.0030320300000000, -0.0068420300000000 ] - [ -0.0027843900000000, 0.0002921500000000, 0.0112189100000000 ] - [ -0.0092133100000000, 0.0046346300000000, 0.0002035700000000 ] - [ 0.0001066400000000, -0.0000755000000000, -0.0004728500000000 ] - [ 0.0000949100000000, -0.0000735600000000, -0.0004629400000000 ] - [ -0.0000302800000000, 0.0001755300000000, -0.0001183800000000 ] - [ -0.0000486100000000, 0.0001762600000000, -0.0001162300000000 ] - [ 0.0029884300000000, 0.0054196500000000, -0.0060728700000000 ] - [ -0.0063741400000000, -0.0010970700000000, 0.0019989400000000 ] - [ 0.0004886200000000, -0.0003059300000000, 0.0003762300000000 ] - [ -0.0008145000000000, -0.0000664300000000, -0.0012392300000000 ] - [ 0.0001638800000000, 0.0000864100000000, -0.0005492100000000 ] - [ -0.0003413400000000, 0.0002223400000000, -0.0002104200000000 ] - [ 0.0001038600000000, 0.0002705900000000, -0.0001801300000000 ] - [ 0.0000968300000000, 0.0002715700000000, -0.0001848700000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0146578600000000, 0.0080335600000000, 0.0188896600000000 ] - [ -0.0154123100000000, 0.0010951100000000, -0.0370883100000000 ] - [ -0.0000089700000000, 0.0002756800000000, -0.0007305500000000 ] - [ 0.0000274200000000, 0.0002690700000000, -0.0006740700000000 ] - [ 0.0288414600000000, -0.0010631500000000, -0.0017061500000000 ] - [ -0.0151835400000000, -0.0016142200000000, 0.0008051000000000 ] - [ 0.0000289300000000, 0.0002840100000000, -0.0007178500000000 ] - [ -0.0000454900000000, 0.0002711900000000, -0.0006892200000000 ] - [ 0.0002448800000000, -0.0000204000000000, -0.0002355000000000 ] - [ 0.0002245200000000, -0.0000202200000000, -0.0002494100000000 ] - [ 0.0390090600000000, -0.0013009100000000, -0.0026861400000000 ] - [ -0.0094411300000000, 0.0001699100000000, 0.0004868800000000 ] - [ 0.1077302600000000, -0.0112156100000000, 0.0052738500000000 ] - [ -0.0143346500000000, -0.0014996100000000, 0.0000332000000000 ] - [ -0.0196616600000000, 0.0046132800000000, -0.0122908200000000 ] - [ -0.0160668100000000, -0.0030980200000000, 0.0138230200000000 ] - [ 0.0006758800000000, -0.0000518800000000, -0.0005835400000000 ] - [ -0.0011653300000000, -0.0000061500000000, -0.0002625500000000 ] - [ -0.0001197600000000, 0.0002445200000000, -0.0005213300000000 ] - [ -0.0001371000000000, 0.0002514000000000, -0.0005236000000000 ] - [ -0.0002007200000000, 0.0007389600000000, 0.0023385900000000 ] - [ -0.0002175000000000, -0.0014720100000000, -0.0027994300000000 ] - [ -0.0000069300000000, 0.0003231000000000, -0.0005931500000000 ] - [ -0.0000048100000000, 0.0002907900000000, -0.0002105200000000 ] - [ 0.0004322100000000, 0.0000237800000000, 0.0004918100000000 ] - [ 0.0000614400000000, -0.0000882400000000, -0.0013953000000000 ] - [ -0.0167051300000000, -0.0057506200000000, 0.0035162500000000 ] - [ -0.0175885800000000, -0.0022238200000000, 0.0078114300000000 ] - [ 0.0005159300000000, 0.0001762600000000, -0.0009652300000000 ] - [ 0.0000265700000000, -0.0001270200000000, 0.0000805400000000 ] - [ 0.0003952200000000, 0.0000554500000000, -0.0003401900000000 ] - [ -0.0009454800000000, -0.0000262700000000, -0.0003971500000000 ] - [ 0.0044051700000000, -0.0009595100000000, 0.0002463300000000 ] - [ -0.0036818800000000, 0.0005227400000000, -0.0005279500000000 ] - [ -0.0002441500000000, -0.0000167500000000, -0.0002247300000000 ] - [ -0.0002272100000000, -0.0000182500000000, -0.0002548200000000 ] - [ 0.0002346700000000, 0.0003141500000000, -0.0004357800000000 ] - [ -0.0002301300000000, 0.0003053600000000, -0.0003626500000000 ] - [ 0.0001365500000000, 0.0002502600000000, -0.0005207500000000 ] - [ 0.0001243300000000, 0.0002422700000000, -0.0005221100000000 ] - [ -0.0003385100000000, 0.0000654300000000, 0.0013881300000000 ] - [ -0.0006853500000000, -0.0000284200000000, -0.0008696500000000 ] - [ 0.0000490100000000, -0.0000033700000000, 0.0001917600000000 ] - [ -0.0000193500000000, -0.0000091300000000, 0.0002011500000000 ] - [ -0.0014240600000000, 0.0001021100000000, 0.0003168100000000 ] - [ 0.0022548800000000, 0.0000082600000000, -0.0001255700000000 ] - [ -0.0000662800000000, -0.0000071500000000, 0.0001903400000000 ] - [ 0.0000376300000000, -0.0000053800000000, 0.0002059300000000 ] - [ -0.0084200300000000, -0.0072768100000000, -0.0056823800000000 ] - [ 0.0096236700000000, 0.0051033500000000, 0.0046949200000000 ] - [ -0.0263410700000000, 0.0072384300000000, 0.0071590100000000 ] - [ 0.0073700900000000, 0.0005046100000000, -0.0008359900000000 ] - [ -0.0178842200000000, 0.0086111900000000, 0.0021797900000000 ] - [ 0.0073265800000000, -0.0012757200000000, -0.0047049500000000 ] - [ -0.0001553100000000, -0.0000631600000000, 0.0005095300000000 ] - [ -0.0000450200000000, -0.0000901600000000, 0.0004317800000000 ] - [ -0.0033560600000000, 0.0010003200000000, 0.0003289700000000 ] - [ 0.0016537000000000, -0.0002223500000000, -0.0001023500000000 ] - [ -0.0002313300000000, 0.0001485100000000, 0.0000397800000000 ] - [ 0.0004496200000000, 0.0003938900000000, 0.0003244300000000 ] - [ -0.0067500900000000, 0.0053599500000000, 0.0020105600000000 ] - [ 0.0049423600000000, -0.0034631400000000, -0.0012930700000000 ] - [ -0.0055075100000000, -0.0047343300000000, 0.0057931100000000 ] - [ 0.0065118500000000, 0.0036490400000000, -0.0022873400000000 ] - [ -0.0250249800000000, -0.0011333500000000, 0.0058560600000000 ] - [ 0.0081909000000000, 0.0014826000000000, -0.0044234300000000 ] - [ -0.0089088700000000, 0.0020927100000000, 0.0073792000000000 ] - [ 0.0079511300000000, 0.0001697400000000, -0.0013670500000000 ] - [ -0.0100984300000000, 0.0034021900000000, -0.0067186300000000 ] - [ 0.0069474700000000, -0.0013345700000000, 0.0003475400000000 ] - [ -0.0001351500000000, 0.0002359200000000, 0.0002915900000000 ] - [ -0.0001292500000000, 0.0002332800000000, 0.0002978000000000 ] - [ -0.0006261200000000, -0.0004276200000000, -0.0001484500000000 ] - [ 0.0007360300000000, 0.0000739800000000, 0.0004039600000000 ] - [ -0.0004450300000000, 0.0003689600000000, 0.0000608800000000 ] - [ 0.0002649000000000, 0.0001846900000000, 0.0003147000000000 ] - [ 0.0001887000000000, -0.0000686600000000, 0.0003119200000000 ] - [ 0.0001962200000000, -0.0000720200000000, 0.0003027700000000 ] - [ -0.0000979200000000, -0.0000459600000000, 0.0000572700000000 ] - [ -0.0000429200000000, -0.0000362400000000, 0.0000919000000000 ] - [ -0.0004711100000000, -0.0003193400000000, 0.0004701100000000 ] - [ 0.0006163800000000, -0.0002302000000000, -0.0001553400000000 ] - [ 0.0000528500000000, -0.0000475700000000, 0.0000843700000000 ] - [ 0.0001041700000000, -0.0000520300000000, 0.0000643100000000 ] - [ 0.0000981300000000, 0.0001588700000000, 0.0003701700000000 ] - [ 0.0001137100000000, 0.0001595300000000, 0.0003679800000000 ] - [ -0.0002284800000000, 0.0001590500000000, 0.0002720500000000 ] - [ 0.0002871400000000, 0.0001954900000000, -0.0000450800000000 ] - [ 0.0000755800000000, -0.0001083800000000, 0.0004965000000000 ] - [ 0.0001260400000000, -0.0000413400000000, 0.0004304100000000 ] - [ -0.0002045200000000, -0.0000810600000000, 0.0003142300000000 ] - [ -0.0001974100000000, -0.0000761000000000, 0.0003013600000000 ] - [ 0.0001260200000000, 0.0001085400000000, 0.0002738200000000 ] - [ 0.0001307600000000, 0.0001133500000000, 0.0002932900000000 ] - [ -0.0009218800000000, 0.0000202800000000, 0.0002574400000000 ] - [ 0.0006400700000000, -0.0005772900000000, 0.0000702000000000 ] - [ -0.0015936600000000, -0.0017465300000000, -0.0050941900000000 ] - [ 0.0026575600000000, 0.0029742900000000, 0.0069926900000000 ] - [ 0.0023646200000000, -0.0001959600000000, -0.0109222000000000 ] - [ 0.0089208700000000, -0.0045019400000000, 0.0000116500000000 ] - [ -0.0001300700000000, 0.0001132400000000, 0.0002853100000000 ] - [ -0.0001224900000000, 0.0001067100000000, 0.0002708200000000 ] - [ -0.0001130100000000, 0.0001597200000000, 0.0003693600000000 ] - [ -0.0000971200000000, 0.0001608100000000, 0.0003676700000000 ] - [ -0.0033679000000000, -0.0058721900000000, 0.0061093100000000 ] - [ 0.0061577500000000, 0.0005801000000000, -0.0018588400000000 ] - [ -0.0006362700000000, -0.0000285000000000, -0.0006279600000000 ] - [ 0.0006709100000000, -0.0002669600000000, 0.0009809300000000 ] - [ -0.0003075900000000, 0.0002457200000000, 0.0002947600000000 ] - [ 0.0001972700000000, 0.0001118900000000, -0.0000452300000000 ] - [ 0.0001290500000000, 0.0002339300000000, 0.0002917800000000 ] - [ 0.0001333200000000, 0.0002341000000000, 0.0002977500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0045817900000000, -0.0054804300000000, 0.0006244200000000 ] - [ -0.0001325500000000, -0.0032343500000000, 0.0157255900000000 ] - [ 0.0000022200000000, 0.0002700900000000, -0.0003580200000000 ] - [ 0.0000064800000000, 0.0002723800000000, -0.0003578300000000 ] - [ 0.0105878800000000, 0.0152556400000000, -0.0285304200000000 ] - [ 0.0026761800000000, -0.0002604900000000, 0.0018000400000000 ] - [ -0.0000021200000000, 0.0002794900000000, -0.0003530800000000 ] - [ -0.0000080600000000, 0.0002792900000000, -0.0003574100000000 ] - [ 0.0002350200000000, -0.0000219700000000, -0.0000849600000000 ] - [ 0.0002476300000000, -0.0000202800000000, -0.0000638100000000 ] - [ -0.0010556000000000, 0.0319295500000000, 0.0058810100000000 ] - [ 0.0001201900000000, 0.0005777300000000, 0.0001309800000000 ] - [ 0.0105762200000000, -0.0972910500000000, -0.0206345000000000 ] - [ 0.0011465800000000, -0.0007519200000000, -0.0006033100000000 ] - [ -0.0017749500000000, -0.0127794300000000, -0.0014575600000000 ] - [ 0.0018756900000000, -0.0131476400000000, -0.0030826900000000 ] - [ -0.0002524900000000, -0.0000225000000000, -0.0004542900000000 ] - [ -0.0002587900000000, -0.0000040200000000, -0.0002377000000000 ] - [ -0.0001027500000000, 0.0002612400000000, -0.0002961700000000 ] - [ -0.0000984200000000, 0.0002639400000000, -0.0002946700000000 ] - [ 0.0011234000000000, 0.0000044800000000, -0.0003193000000000 ] - [ -0.0010800300000000, 0.0000076400000000, 0.0004553100000000 ] - [ -0.0000569000000000, 0.0002822500000000, -0.0001783600000000 ] - [ -0.0000228600000000, 0.0002830100000000, -0.0001799000000000 ] - [ 0.0003658600000000, -0.0000269800000000, -0.0001469300000000 ] - [ 0.0001196600000000, -0.0000548200000000, -0.0001902800000000 ] - [ -0.0052902900000000, 0.0267360500000000, 0.0089059600000000 ] - [ -0.0019643200000000, 0.0117979100000000, 0.0036325600000000 ] - [ -0.0000792900000000, 0.0000143700000000, -0.0000996200000000 ] - [ 0.0005971400000000, 0.0000229000000000, -0.0002894000000000 ] - [ -0.0005177200000000, 0.0000692000000000, -0.0004956500000000 ] - [ -0.0000042500000000, -0.0000164900000000, -0.0001344200000000 ] - [ -0.0006103700000000, -0.0009554000000000, -0.0010162800000000 ] - [ 0.0008702000000000, -0.0003355200000000, 0.0006173000000000 ] - [ -0.0002362400000000, -0.0000180100000000, -0.0000883500000000 ] - [ -0.0002455300000000, -0.0000189100000000, -0.0000710900000000 ] - [ 0.0000340600000000, 0.0003112600000000, -0.0001851600000000 ] - [ 0.0000405900000000, 0.0002993500000000, -0.0001557800000000 ] - [ 0.0000982600000000, 0.0002615700000000, -0.0002927300000000 ] - [ 0.0001019700000000, 0.0002600400000000, -0.0002960400000000 ] - [ 0.0002456600000000, 0.0005396900000000, 0.0003001500000000 ] - [ -0.0002162300000000, 0.0003801100000000, 0.0003260900000000 ] - [ -0.0000249700000000, -0.0000000400000000, 0.0001066900000000 ] - [ 0.0000361900000000, -0.0000020700000000, 0.0000943700000000 ] - [ -0.0000840700000000, -0.0004621500000000, -0.0000064300000000 ] - [ 0.0001511600000000, -0.0001897200000000, -0.0002092500000000 ] - [ 0.0000166500000000, -0.0000048800000000, 0.0001054800000000 ] - [ -0.0000369100000000, -0.0000043400000000, 0.0000932500000000 ] - [ -0.0043484600000000, -0.0071899900000000, -0.0045596800000000 ] - [ -0.0015976400000000, -0.0014746600000000, -0.0012681000000000 ] - [ -0.0090714900000000, 0.0170767900000000, 0.0100995400000000 ] - [ -0.0010848500000000, 0.0001422600000000, -0.0006231900000000 ] - [ -0.0048625800000000, 0.0230675600000000, 0.0024027300000000 ] - [ 0.0005464900000000, 0.0002101700000000, -0.0004854400000000 ] - [ -0.0000389100000000, -0.0000350100000000, 0.0002776200000000 ] - [ -0.0000480900000000, -0.0000295100000000, 0.0002826100000000 ] - [ -0.0011022200000000, 0.0017998900000000, 0.0042819100000000 ] - [ -0.0000140400000000, -0.0001287800000000, -0.0006199200000000 ] - [ 0.0000656400000000, 0.0002162800000000, 0.0000847800000000 ] - [ 0.0001426400000000, 0.0002435700000000, 0.0000468000000000 ] - [ 0.0033516800000000, -0.0049895200000000, 0.0009300100000000 ] - [ -0.0015426200000000, 0.0013098700000000, -0.0004765700000000 ] - [ 0.0046204800000000, 0.0045412300000000, 0.0008202800000000 ] - [ -0.0014113600000000, -0.0007110300000000, -0.0000657200000000 ] - [ -0.0035876800000000, 0.0024008600000000, -0.0073562800000000 ] - [ 0.0000165600000000, 0.0000319400000000, -0.0024311200000000 ] - [ 0.0041782400000000, 0.0119024700000000, 0.0036076000000000 ] - [ 0.0010137900000000, 0.0003359900000000, -0.0007022700000000 ] - [ -0.0086175700000000, -0.0076841400000000, 0.0084232100000000 ] - [ 0.0016572500000000, 0.0000674600000000, 0.0005312200000000 ] - [ -0.0001247900000000, 0.0002422300000000, 0.0001797500000000 ] - [ -0.0001221100000000, 0.0002427700000000, 0.0001750800000000 ] - [ -0.0001687700000000, -0.0000977300000000, 0.0005154200000000 ] - [ 0.0000605500000000, -0.0001817000000000, -0.0003273300000000 ] - [ -0.0001431700000000, 0.0003099500000000, 0.0000803300000000 ] - [ -0.0000900800000000, 0.0002881800000000, 0.0000611400000000 ] - [ 0.0001620500000000, -0.0000622600000000, 0.0002150300000000 ] - [ 0.0001608500000000, -0.0000621400000000, 0.0002124800000000 ] - [ -0.0001014700000000, -0.0000488300000000, -0.0000201600000000 ] - [ -0.0000973900000000, -0.0000454900000000, -0.0000195600000000 ] - [ 0.0005415800000000, -0.0001578500000000, 0.0000985900000000 ] - [ -0.0002444900000000, -0.0003944000000000, 0.0001026800000000 ] - [ 0.0001073200000000, -0.0000561800000000, -0.0000182600000000 ] - [ 0.0001123000000000, -0.0000603900000000, -0.0000206200000000 ] - [ 0.0000940400000000, 0.0001617500000000, 0.0002500200000000 ] - [ 0.0000821400000000, 0.0001614000000000, 0.0002491900000000 ] - [ 0.0000964500000000, 0.0002237400000000, -0.0000005500000000 ] - [ 0.0000454500000000, 0.0001997300000000, -0.0000118000000000 ] - [ 0.0000494200000000, -0.0000242200000000, 0.0002841200000000 ] - [ 0.0000410300000000, -0.0000279800000000, 0.0002828400000000 ] - [ -0.0001733400000000, -0.0000735600000000, 0.0002155100000000 ] - [ -0.0001719400000000, -0.0000725200000000, 0.0002130900000000 ] - [ 0.0000741600000000, 0.0000648500000000, 0.0000998000000000 ] - [ 0.0000714700000000, 0.0000679900000000, 0.0001024300000000 ] - [ 0.0002968500000000, -0.0003360400000000, 0.0000984600000000 ] - [ -0.0004481200000000, -0.0001362900000000, -0.0000748500000000 ] - [ -0.0001021600000000, 0.0003636700000000, 0.0007183600000000 ] - [ -0.0004639700000000, -0.0013142200000000, -0.0020666800000000 ] - [ -0.0044132300000000, 0.0068726100000000, 0.0025932000000000 ] - [ -0.0016990600000000, 0.0014851200000000, -0.0009197900000000 ] - [ -0.0000683000000000, 0.0000651300000000, 0.0000953500000000 ] - [ -0.0000718500000000, 0.0000625600000000, 0.0000931800000000 ] - [ -0.0000843200000000, 0.0001641000000000, 0.0002495900000000 ] - [ -0.0000962000000000, 0.0001656500000000, 0.0002487700000000 ] - [ 0.0079953900000000, -0.0036916600000000, 0.0061374800000000 ] - [ -0.0009032900000000, -0.0013778800000000, -0.0007958700000000 ] - [ -0.0002444700000000, -0.0001056500000000, 0.0002396900000000 ] - [ -0.0000759800000000, -0.0002333000000000, -0.0003807400000000 ] - [ -0.0000132900000000, 0.0001334100000000, 0.0000190000000000 ] - [ -0.0000846800000000, 0.0001383200000000, -0.0000065100000000 ] - [ 0.0001248200000000, 0.0002433100000000, 0.0001794600000000 ] - [ 0.0001243000000000, 0.0002443700000000, 0.0001748200000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045230700000000, 0.0048082000000000, -0.0006664700000000 ] - [ 0.0001076400000000, 0.0027174500000000, -0.0159117100000000 ] - [ -0.0000052600000000, 0.0002736300000000, 0.0003549600000000 ] - [ -0.0000017600000000, 0.0002766000000000, 0.0003519600000000 ] - [ -0.0106780900000000, -0.0157793300000000, 0.0289391500000000 ] - [ -0.0026881200000000, -0.0002961700000000, -0.0017848200000000 ] - [ 0.0000091900000000, 0.0002773000000000, 0.0003517300000000 ] - [ 0.0000010100000000, 0.0002809600000000, 0.0003459900000000 ] - [ 0.0002607400000000, -0.0000222400000000, 0.0002628000000000 ] - [ 0.0002475800000000, -0.0000250800000000, 0.0002457700000000 ] - [ 0.0015346800000000, -0.0318200700000000, -0.0060116600000000 ] - [ 0.0003736800000000, -0.0005239300000000, 0.0000485400000000 ] - [ -0.0116684800000000, 0.0997877500000000, 0.0206376100000000 ] - [ -0.0012882800000000, 0.0001990600000000, 0.0005099800000000 ] - [ 0.0012919300000000, 0.0127848500000000, 0.0016644200000000 ] - [ -0.0023890100000000, 0.0131010800000000, 0.0033047100000000 ] - [ -0.0002414700000000, -0.0000183300000000, 0.0002733100000000 ] - [ -0.0002389600000000, -0.0000361000000000, 0.0000519800000000 ] - [ -0.0000372000000000, 0.0002924900000000, 0.0001733100000000 ] - [ -0.0000422000000000, 0.0002942700000000, 0.0001681200000000 ] - [ -0.0012697800000000, -0.0005637900000000, 0.0004438300000000 ] - [ 0.0009490800000000, -0.0005607000000000, -0.0003392500000000 ] - [ -0.0000827100000000, 0.0002730600000000, 0.0002967600000000 ] - [ -0.0001143600000000, 0.0002739000000000, 0.0002998700000000 ] - [ 0.0001273800000000, -0.0000162100000000, -0.0000402400000000 ] - [ 0.0003781800000000, 0.0000113500000000, 0.0000044800000000 ] - [ 0.0057591100000000, -0.0273737900000000, -0.0090349200000000 ] - [ 0.0019602400000000, -0.0123386500000000, -0.0037520800000000 ] - [ 0.0005740600000000, 0.0000252400000000, -0.0000839500000000 ] - [ -0.0000991000000000, 0.0000195900000000, 0.0001028200000000 ] - [ 0.0000187200000000, -0.0000264500000000, 0.0003097500000000 ] - [ -0.0004895200000000, 0.0000600400000000, -0.0000491000000000 ] - [ 0.0007431900000000, 0.0004012200000000, 0.0011403700000000 ] - [ -0.0007297600000000, -0.0002188200000000, -0.0005091700000000 ] - [ -0.0002629300000000, -0.0000204200000000, 0.0002679000000000 ] - [ -0.0002456900000000, -0.0000210500000000, 0.0002510000000000 ] - [ 0.0001083100000000, 0.0002427000000000, 0.0003044100000000 ] - [ 0.0000963500000000, 0.0002549600000000, 0.0002750600000000 ] - [ 0.0000446700000000, 0.0002919700000000, 0.0001706800000000 ] - [ 0.0000345000000000, 0.0002911000000000, 0.0001728400000000 ] - [ -0.0002483300000000, -0.0005373400000000, -0.0003024700000000 ] - [ 0.0002213900000000, -0.0003785200000000, -0.0003292300000000 ] - [ 0.0000254100000000, 0.0000000600000000, -0.0001058300000000 ] - [ -0.0000361100000000, 0.0000022600000000, -0.0000926700000000 ] - [ 0.0000835700000000, 0.0004583300000000, 0.0000065700000000 ] - [ -0.0001525800000000, 0.0001893800000000, 0.0002145500000000 ] - [ -0.0000171800000000, 0.0000051900000000, -0.0001044100000000 ] - [ 0.0000369800000000, 0.0000040500000000, -0.0000922200000000 ] - [ 0.0046723000000000, 0.0073430300000000, 0.0047549100000000 ] - [ 0.0018917800000000, 0.0016164400000000, 0.0015167400000000 ] - [ 0.0093905300000000, -0.0178132700000000, -0.0104283900000000 ] - [ 0.0009459100000000, -0.0004779100000000, 0.0008694000000000 ] - [ 0.0054273000000000, -0.0257379700000000, -0.0018213600000000 ] - [ -0.0005519600000000, -0.0002456100000000, 0.0002674000000000 ] - [ 0.0000655800000000, 0.0000703900000000, -0.0000888800000000 ] - [ 0.0000720800000000, 0.0000639400000000, -0.0000882100000000 ] - [ 0.0011530000000000, -0.0018784400000000, -0.0041240300000000 ] - [ 0.0000377500000000, 0.0000934600000000, 0.0008148500000000 ] - [ 0.0001688100000000, 0.0002893500000000, -0.0001976100000000 ] - [ 0.0000873100000000, 0.0002622900000000, -0.0001586800000000 ] - [ -0.0036537700000000, 0.0051373700000000, -0.0011747600000000 ] - [ 0.0012825400000000, -0.0011927800000000, 0.0002472700000000 ] - [ -0.0043911200000000, -0.0044965200000000, -0.0010767300000000 ] - [ 0.0016762000000000, 0.0008389700000000, -0.0001683000000000 ] - [ 0.0038082100000000, -0.0023192200000000, 0.0072834000000000 ] - [ 0.0000015300000000, -0.0000489800000000, 0.0022475300000000 ] - [ -0.0042495100000000, -0.0126813200000000, -0.0038327200000000 ] - [ -0.0007733600000000, -0.0008403300000000, 0.0008060100000000 ] - [ 0.0087827300000000, 0.0075271600000000, -0.0081907000000000 ] - [ -0.0015034100000000, -0.0003963800000000, -0.0002750400000000 ] - [ -0.0001091500000000, 0.0002622000000000, -0.0000653100000000 ] - [ -0.0001084400000000, 0.0002620100000000, -0.0000599200000000 ] - [ 0.0003141600000000, -0.0002391400000000, -0.0007690600000000 ] - [ 0.0000837100000000, -0.0001546900000000, 0.0000770200000000 ] - [ -0.0000865200000000, 0.0001945800000000, -0.0001943600000000 ] - [ -0.0001448900000000, 0.0002157700000000, -0.0001736100000000 ] - [ 0.0001036600000000, -0.0000502100000000, 0.0000236800000000 ] - [ 0.0001019500000000, -0.0000500500000000, 0.0000217300000000 ] - [ -0.0001651200000000, -0.0000682900000000, -0.0002130300000000 ] - [ -0.0001626300000000, -0.0000618100000000, -0.0002134500000000 ] - [ -0.0003141300000000, -0.0003473300000000, -0.0002113500000000 ] - [ 0.0004795300000000, -0.0001088200000000, -0.0002152600000000 ] - [ 0.0001714000000000, -0.0000690900000000, -0.0002149200000000 ] - [ 0.0001731900000000, -0.0000750900000000, -0.0002138000000000 ] - [ 0.0000520100000000, 0.0001700000000000, 0.0000058200000000 ] - [ 0.0000612300000000, 0.0001703400000000, 0.0000048000000000 ] - [ 0.0000470100000000, 0.0001112400000000, -0.0002518100000000 ] - [ 0.0000998200000000, 0.0001354000000000, -0.0002404800000000 ] - [ -0.0000809300000000, 0.0000628400000000, -0.0001091800000000 ] - [ -0.0000716800000000, 0.0000646600000000, -0.0001026100000000 ] - [ -0.0001112700000000, -0.0000576500000000, 0.0000238000000000 ] - [ -0.0001100700000000, -0.0000578100000000, 0.0000217700000000 ] - [ -0.0000409000000000, -0.0000277800000000, -0.0002754800000000 ] - [ -0.0000409700000000, -0.0000275100000000, -0.0002739600000000 ] - [ -0.0005325900000000, -0.0001687500000000, -0.0002095700000000 ] - [ 0.0002193800000000, -0.0003684400000000, -0.0000363600000000 ] - [ 0.0000821700000000, -0.0003872100000000, -0.0005348500000000 ] - [ 0.0004376700000000, 0.0012870200000000, 0.0022632200000000 ] - [ 0.0040204500000000, -0.0068462900000000, -0.0021979700000000 ] - [ 0.0014352000000000, -0.0013723600000000, 0.0011466500000000 ] - [ 0.0000431600000000, -0.0000269100000000, -0.0002792800000000 ] - [ 0.0000431300000000, -0.0000289300000000, -0.0002809000000000 ] - [ -0.0000593500000000, 0.0001704300000000, 0.0000041100000000 ] - [ -0.0000497200000000, 0.0001707400000000, 0.0000054100000000 ] - [ -0.0082660000000000, 0.0033971000000000, -0.0061028900000000 ] - [ 0.0006492000000000, 0.0008946700000000, 0.0009297300000000 ] - [ 0.0001041700000000, -0.0002298800000000, -0.0004923400000000 ] - [ -0.0000695000000000, -0.0000958700000000, 0.0001292400000000 ] - [ -0.0001316500000000, 0.0001990300000000, -0.0002715900000000 ] - [ -0.0000596200000000, 0.0001956400000000, -0.0002463200000000 ] - [ 0.0001082000000000, 0.0002607700000000, -0.0000650700000000 ] - [ 0.0001066900000000, 0.0002607600000000, -0.0000594000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0268446600000000, 0.0094563200000000, -0.0000307200000000 ] - [ 0.0229165600000000, 0.0003483700000000, 0.0100287400000000 ] - [ -0.0000433600000000, 0.0002674200000000, 0.0054510800000000 ] - [ -0.0000850900000000, 0.0002819200000000, 0.0054299200000000 ] - [ -0.0000562000000000, -0.0097265900000000, 0.0195258400000000 ] - [ 0.0003105100000000, -0.0011117300000000, -0.0101890100000000 ] - [ 0.0000613200000000, 0.0002768500000000, 0.0054617300000000 ] - [ 0.0000677200000000, 0.0002831200000000, 0.0054188100000000 ] - [ 0.0003450400000000, -0.0000382600000000, 0.0026789300000000 ] - [ 0.0003421200000000, -0.0000383000000000, 0.0026585000000000 ] - [ 0.0035026000000000, 0.0109671800000000, 0.0130842600000000 ] - [ 0.0006147500000000, 0.0003768200000000, -0.0020259700000000 ] - [ -0.0053119500000000, -0.0202181900000000, -0.1032204500000000 ] - [ -0.0002013900000000, -0.0008292100000000, -0.0132394900000000 ] - [ 0.0191534000000000, -0.0029376700000000, 0.0053376100000000 ] - [ -0.0231249700000000, -0.0042911400000000, 0.0049387500000000 ] - [ -0.0001535300000000, 0.0000469800000000, 0.0032381600000000 ] - [ -0.0001692900000000, -0.0000396800000000, 0.0017209000000000 ] - [ 0.0003907200000000, 0.0005100600000000, 0.0035181900000000 ] - [ 0.0003918000000000, 0.0005089300000000, 0.0035116600000000 ] - [ -0.0029310300000000, -0.0006740700000000, 0.0037998400000000 ] - [ 0.0022095500000000, 0.0001028800000000, 0.0037931800000000 ] - [ -0.0003448100000000, 0.0000369000000000, 0.0036512100000000 ] - [ -0.0007235600000000, 0.0000397000000000, 0.0036517400000000 ] - [ -0.0007154000000000, -0.0000191800000000, 0.0025318200000000 ] - [ 0.0010131800000000, 0.0000072200000000, 0.0024812000000000 ] - [ 0.0036188400000000, 0.0086900900000000, -0.0369369200000000 ] - [ 0.0079731700000000, 0.0034160800000000, -0.0242032600000000 ] - [ 0.0005618800000000, -0.0000052000000000, 0.0025193100000000 ] - [ -0.0002616300000000, 0.0000571900000000, 0.0024493600000000 ] - [ -0.0000961000000000, -0.0001215000000000, 0.0028207100000000 ] - [ -0.0002098400000000, 0.0001213100000000, 0.0021571000000000 ] - [ -0.0001173200000000, 0.0007997400000000, 0.0063881500000000 ] - [ 0.0006612200000000, -0.0008393000000000, 0.0020985100000000 ] - [ -0.0003506300000000, -0.0000355400000000, 0.0026708400000000 ] - [ -0.0003369900000000, -0.0000355000000000, 0.0026672800000000 ] - [ 0.0005696500000000, 0.0000308800000000, 0.0038226500000000 ] - [ 0.0004943500000000, 0.0000601300000000, 0.0034917200000000 ] - [ -0.0003899100000000, 0.0005071400000000, 0.0035140500000000 ] - [ -0.0003927000000000, 0.0005089300000000, 0.0035137100000000 ] - [ -0.0016019400000000, 0.0000437000000000, -0.0017037000000000 ] - [ 0.0013762900000000, 0.0000801400000000, -0.0017355100000000 ] - [ -0.0000666400000000, 0.0000529900000000, -0.0015312600000000 ] - [ -0.0001322700000000, 0.0000540300000000, -0.0015259600000000 ] - [ 0.0000817700000000, -0.0002762000000000, -0.0025305900000000 ] - [ 0.0002018600000000, -0.0000591100000000, -0.0006548000000000 ] - [ 0.0000866000000000, 0.0000562400000000, -0.0015312300000000 ] - [ 0.0001131200000000, 0.0000508800000000, -0.0015252200000000 ] - [ 0.0063759300000000, -0.0024257000000000, 0.0006313000000000 ] - [ -0.0021197700000000, -0.0033947000000000, 0.0029656200000000 ] - [ -0.0100557200000000, 0.0115852300000000, 0.0304256300000000 ] - [ -0.0044728000000000, -0.0005603800000000, 0.0058628600000000 ] - [ -0.0038328600000000, -0.0021020800000000, 0.0136673500000000 ] - [ -0.0053802400000000, -0.0009747500000000, 0.0094528400000000 ] - [ 0.0008692400000000, 0.0007705800000000, -0.0028262400000000 ] - [ 0.0009288600000000, 0.0007079600000000, -0.0027910600000000 ] - [ 0.0018676500000000, -0.0003841400000000, -0.0055336900000000 ] - [ -0.0005435300000000, 0.0006449700000000, 0.0011455100000000 ] - [ 0.0005018100000000, 0.0001628400000000, -0.0020573300000000 ] - [ -0.0000067900000000, 0.0000432700000000, -0.0017977000000000 ] - [ -0.0041255000000000, 0.0008249800000000, -0.0036513200000000 ] - [ 0.0036186500000000, -0.0024409500000000, 0.0008738800000000 ] - [ -0.0057791500000000, -0.0005373100000000, -0.0049021100000000 ] - [ 0.0052445400000000, 0.0024247300000000, 0.0000139900000000 ] - [ -0.0024779300000000, -0.0066483400000000, 0.0087906900000000 ] - [ 0.0053821800000000, -0.0053042800000000, 0.0131430400000000 ] - [ 0.0040868400000000, 0.0084317100000000, 0.0192938200000000 ] - [ 0.0036965600000000, -0.0017133900000000, 0.0076156200000000 ] - [ 0.0060410500000000, 0.0030431900000000, 0.0125503900000000 ] - [ -0.0023104600000000, 0.0014159600000000, 0.0062108200000000 ] - [ 0.0000070100000000, 0.0003932900000000, -0.0017939100000000 ] - [ 0.0000044600000000, 0.0003945000000000, -0.0017902700000000 ] - [ 0.0008499200000000, 0.0000823600000000, -0.0024953800000000 ] - [ -0.0001129300000000, -0.0001712200000000, -0.0015309600000000 ] - [ 0.0000131000000000, 0.0000351700000000, -0.0020744900000000 ] - [ -0.0004796400000000, 0.0002138000000000, -0.0017797500000000 ] - [ -0.0003410300000000, 0.0000577600000000, -0.0013629000000000 ] - [ -0.0003388800000000, 0.0000536700000000, -0.0013583300000000 ] - [ -0.0005940200000000, -0.0001720700000000, -0.0015923500000000 ] - [ -0.0006205200000000, -0.0001645100000000, -0.0016035800000000 ] - [ -0.0001369000000000, -0.0002537300000000, -0.0019839700000000 ] - [ 0.0006498800000000, 0.0000657600000000, -0.0017883800000000 ] - [ 0.0006298800000000, -0.0001751700000000, -0.0016097800000000 ] - [ 0.0006004900000000, -0.0001783700000000, -0.0015863600000000 ] - [ -0.0001864900000000, 0.0002218900000000, -0.0017527300000000 ] - [ -0.0001821200000000, 0.0002213200000000, -0.0017524200000000 ] - [ 0.0000417100000000, 0.0000467200000000, -0.0021544000000000 ] - [ 0.0006020300000000, 0.0001967300000000, -0.0019098500000000 ] - [ -0.0009488000000000, 0.0007268800000000, -0.0028440000000000 ] - [ -0.0008486800000000, 0.0007592000000000, -0.0027817400000000 ] - [ 0.0003274200000000, 0.0000454400000000, -0.0013608700000000 ] - [ 0.0003357000000000, 0.0000498500000000, -0.0013594700000000 ] - [ -0.0008660600000000, -0.0006983300000000, -0.0029905800000000 ] - [ -0.0008704500000000, -0.0007011600000000, -0.0029934900000000 ] - [ -0.0005562500000000, -0.0000353200000000, -0.0022000600000000 ] - [ 0.0000345000000000, -0.0001211900000000, -0.0016740600000000 ] - [ 0.0004352700000000, -0.0004937400000000, -0.0018812900000000 ] - [ -0.0026010100000000, -0.0009321700000000, -0.0026466800000000 ] - [ 0.0146914100000000, -0.0047357200000000, -0.0052292900000000 ] - [ -0.0066730200000000, 0.0038675500000000, 0.0039829800000000 ] - [ 0.0008723900000000, -0.0007016500000000, -0.0030034200000000 ] - [ 0.0008689400000000, -0.0007011600000000, -0.0029926700000000 ] - [ 0.0001820100000000, 0.0002228700000000, -0.0017549100000000 ] - [ 0.0001866500000000, 0.0002236800000000, -0.0017512800000000 ] - [ -0.0048010500000000, -0.0006776100000000, 0.0119093700000000 ] - [ 0.0012618000000000, 0.0019076700000000, 0.0086416200000000 ] - [ 0.0001835000000000, -0.0002952000000000, -0.0020883900000000 ] - [ -0.0008531100000000, 0.0001308700000000, -0.0019500800000000 ] - [ -0.0006004800000000, 0.0001368200000000, -0.0021306400000000 ] - [ -0.0000604200000000, 0.0000540300000000, -0.0019230500000000 ] - [ -0.0000028100000000, 0.0003942400000000, -0.0017938900000000 ] - [ -0.0000087400000000, 0.0003930800000000, -0.0017895900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0266482500000000, -0.0099090000000000, 0.0000693400000000 ] - [ -0.0227650900000000, -0.0008116800000000, -0.0102000500000000 ] - [ 0.0000398200000000, 0.0002756400000000, -0.0054466300000000 ] - [ 0.0000915600000000, 0.0002663400000000, -0.0054272600000000 ] - [ 0.0001698200000000, 0.0090333100000000, -0.0195774200000000 ] - [ -0.0003489500000000, 0.0005481400000000, 0.0101552500000000 ] - [ -0.0000534200000000, 0.0002776400000000, -0.0054552000000000 ] - [ -0.0000765300000000, 0.0002731100000000, -0.0054213300000000 ] - [ 0.0001505000000000, -0.0000058800000000, -0.0024983700000000 ] - [ 0.0001537500000000, -0.0000068600000000, -0.0024738700000000 ] - [ -0.0029516300000000, -0.0110472200000000, -0.0129963900000000 ] - [ -0.0001417900000000, -0.0003375300000000, 0.0022093100000000 ] - [ 0.0045091100000000, 0.0210798800000000, 0.1048187400000000 ] - [ 0.0000193200000000, 0.0002833700000000, 0.0130949700000000 ] - [ -0.0197732300000000, 0.0029937200000000, -0.0052004600000000 ] - [ 0.0227481000000000, 0.0043255600000000, -0.0047940600000000 ] - [ -0.0003384800000000, -0.0000879900000000, -0.0034239400000000 ] - [ -0.0003308000000000, 0.0000000900000000, -0.0018961300000000 ] - [ -0.0005310900000000, 0.0000428200000000, -0.0036403700000000 ] - [ -0.0005329800000000, 0.0000481900000000, -0.0036372700000000 ] - [ 0.0027902500000000, 0.0001187500000000, -0.0036641200000000 ] - [ -0.0023408500000000, -0.0006606800000000, -0.0036698200000000 ] - [ 0.0002018000000000, 0.0005175700000000, -0.0035238100000000 ] - [ 0.0005879200000000, 0.0005159900000000, -0.0035222400000000 ] - [ 0.0012218500000000, -0.0000235200000000, -0.0027102200000000 ] - [ -0.0005272600000000, -0.0000506200000000, -0.0026618200000000 ] - [ -0.0035830200000000, -0.0092500300000000, 0.0368372400000000 ] - [ -0.0078011100000000, -0.0039685000000000, 0.0240633000000000 ] - [ -0.0000682000000000, 0.0000456900000000, -0.0026973600000000 ] - [ 0.0007604900000000, -0.0000150200000000, -0.0026304600000000 ] - [ -0.0004043500000000, 0.0001635500000000, -0.0030024600000000 ] - [ -0.0002825000000000, -0.0000780400000000, -0.0023360400000000 ] - [ 0.0002538100000000, -0.0013562900000000, -0.0062314100000000 ] - [ -0.0005246000000000, 0.0002853400000000, -0.0019786900000000 ] - [ -0.0001489800000000, -0.0000027300000000, -0.0024885200000000 ] - [ -0.0001545100000000, -0.0000042800000000, -0.0024847600000000 ] - [ -0.0004262800000000, 0.0005219800000000, -0.0036966500000000 ] - [ -0.0003568600000000, 0.0004926600000000, -0.0033610900000000 ] - [ 0.0005336300000000, 0.0000457300000000, -0.0036350200000000 ] - [ 0.0005295100000000, 0.0000414300000000, -0.0036366900000000 ] - [ 0.0016042000000000, -0.0000444000000000, 0.0016981500000000 ] - [ -0.0013776200000000, -0.0000814000000000, 0.0017235100000000 ] - [ 0.0000667900000000, -0.0000528100000000, 0.0015302600000000 ] - [ 0.0001324600000000, -0.0000538100000000, 0.0015258000000000 ] - [ -0.0000837800000000, 0.0002766100000000, 0.0025507200000000 ] - [ -0.0001980700000000, 0.0000591900000000, 0.0006491200000000 ] - [ -0.0000868400000000, -0.0000560500000000, 0.0015303500000000 ] - [ -0.0001130600000000, -0.0000511500000000, 0.0015245200000000 ] - [ -0.0061460300000000, 0.0024995800000000, -0.0003784600000000 ] - [ 0.0024117800000000, 0.0035223500000000, -0.0027009500000000 ] - [ 0.0108759100000000, -0.0127933600000000, -0.0312540400000000 ] - [ 0.0043404100000000, 0.0002335800000000, -0.0056058100000000 ] - [ 0.0038319300000000, 0.0018456100000000, -0.0137101400000000 ] - [ 0.0053671500000000, 0.0009284600000000, -0.0096359900000000 ] - [ -0.0008410700000000, -0.0007332000000000, 0.0030131400000000 ] - [ -0.0009044000000000, -0.0006707300000000, 0.0029832000000000 ] - [ -0.0018446200000000, 0.0003631200000000, 0.0057387400000000 ] - [ 0.0005682000000000, -0.0006779600000000, -0.0009424400000000 ] - [ -0.0002722800000000, 0.0003415000000000, 0.0019435300000000 ] - [ 0.0002395800000000, 0.0004636500000000, 0.0016826700000000 ] - [ 0.0038320500000000, -0.0007193200000000, 0.0034303300000000 ] - [ -0.0038558300000000, 0.0025331000000000, -0.0010996100000000 ] - [ 0.0059399700000000, 0.0006416000000000, 0.0046451800000000 ] - [ -0.0049368100000000, -0.0022832300000000, -0.0002534900000000 ] - [ 0.0027599300000000, 0.0066576500000000, -0.0087736200000000 ] - [ -0.0053340500000000, 0.0052532600000000, -0.0132727700000000 ] - [ -0.0043997200000000, -0.0093658300000000, -0.0196422600000000 ] - [ -0.0034403200000000, 0.0012212600000000, -0.0075030600000000 ] - [ -0.0057471100000000, -0.0031998000000000, -0.0125849200000000 ] - [ 0.0024590200000000, -0.0017581000000000, -0.0059531500000000 ] - [ -0.0002404800000000, 0.0001116100000000, 0.0019045200000000 ] - [ -0.0002349600000000, 0.0001105800000000, 0.0019023300000000 ] - [ -0.0007056000000000, -0.0004174800000000, 0.0022414000000000 ] - [ 0.0002583200000000, -0.0001638600000000, 0.0012780800000000 ] - [ -0.0002480000000000, 0.0004708000000000, 0.0019598500000000 ] - [ 0.0002473100000000, 0.0002886600000000, 0.0016640100000000 ] - [ 0.0006050000000000, -0.0001685900000000, 0.0015984500000000 ] - [ 0.0005995200000000, -0.0001637000000000, 0.0015890100000000 ] - [ 0.0003278500000000, 0.0000560700000000, 0.0013580700000000 ] - [ 0.0003614800000000, 0.0000593400000000, 0.0013701700000000 ] - [ 0.0003668900000000, -0.0002505700000000, 0.0018701200000000 ] - [ -0.0004153200000000, -0.0005702400000000, 0.0016743000000000 ] - [ -0.0003515900000000, 0.0000516700000000, 0.0013756700000000 ] - [ -0.0003153900000000, 0.0000442300000000, 0.0013504500000000 ] - [ 0.0003319900000000, 0.0001106600000000, 0.0020056800000000 ] - [ 0.0003248200000000, 0.0001109900000000, 0.0020033000000000 ] - [ 0.0001058500000000, 0.0002897900000000, 0.0019026600000000 ] - [ -0.0004580800000000, 0.0001375600000000, 0.0016538900000000 ] - [ 0.0009163800000000, -0.0006862900000000, 0.0030170500000000 ] - [ 0.0008164400000000, -0.0007208500000000, 0.0029597900000000 ] - [ -0.0006101500000000, -0.0001749000000000, 0.0015973400000000 ] - [ -0.0006154000000000, -0.0001777400000000, 0.0015912900000000 ] - [ 0.0008977200000000, 0.0007353800000000, 0.0028090100000000 ] - [ 0.0008990700000000, 0.0007415000000000, 0.0028166200000000 ] - [ 0.0003200600000000, -0.0004680700000000, 0.0020846900000000 ] - [ -0.0002630000000000, -0.0003836200000000, 0.0015596700000000 ] - [ -0.0004627600000000, 0.0004510100000000, 0.0020512200000000 ] - [ 0.0025772600000000, 0.0009023600000000, 0.0028491800000000 ] - [ -0.0149812200000000, 0.0047694900000000, 0.0056155300000000 ] - [ 0.0064037000000000, -0.0037481100000000, -0.0037348500000000 ] - [ -0.0008958100000000, 0.0007399500000000, 0.0028136800000000 ] - [ -0.0008959200000000, 0.0007349900000000, 0.0027979200000000 ] - [ -0.0003253700000000, 0.0001120100000000, 0.0020058000000000 ] - [ -0.0003322700000000, 0.0001130800000000, 0.0020022400000000 ] - [ 0.0044353600000000, 0.0002955100000000, -0.0119665600000000 ] - [ -0.0014681800000000, -0.0024217400000000, -0.0085387300000000 ] - [ -0.0003265500000000, -0.0000405000000000, 0.0018337600000000 ] - [ 0.0007073400000000, -0.0004604800000000, 0.0016957100000000 ] - [ 0.0004591900000000, 0.0001956100000000, 0.0018777000000000 ] - [ -0.0000857000000000, 0.0002814100000000, 0.0016660900000000 ] - [ 0.0002359000000000, 0.0001100900000000, 0.0019049800000000 ] - [ 0.0002395200000000, 0.0001124000000000, 0.0019022000000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003935300000000, -0.0003654800000000, 0.0001280600000000 ] - [ -0.0003930700000000, -0.0002216100000000, -0.0004097100000000 ] - [ 0.0003913000000000, 0.0001859900000000, 0.0001205600000000 ] - [ -0.0003870900000000, 0.0003323400000000, -0.0004017200000000 ] - [ 0.0001588900000000, -0.0002517600000000, -0.0004682800000000 ] - [ -0.0001820600000000, -0.0003308900000000, 0.0002434400000000 ] - [ -0.0001727900000000, 0.0002291400000000, 0.0002407500000000 ] - [ 0.0001479000000000, 0.0003093000000000, -0.0004718400000000 ] - [ 0.0002437200000000, -0.0000250500000000, 0.0000269500000000 ] - [ 0.0002496100000000, -0.0000189500000000, 0.0000107700000000 ] - [ 0.0008056900000000, 0.0003300700000000, -0.0022383800000000 ] - [ 0.0000052000000000, 0.0000564700000000, 0.0029942400000000 ] - [ 0.0002853300000000, -0.0000292200000000, -0.0016642300000000 ] - [ 0.0006014800000000, -0.0004964100000000, 0.0013171300000000 ] - [ 0.0038614900000000, 0.0000155300000000, 0.0001504400000000 ] - [ -0.0049625100000000, 0.0001408500000000, 0.0003057600000000 ] - [ -0.0003543700000000, 0.0000163900000000, 0.0027627100000000 ] - [ 0.0001521400000000, 0.0002846000000000, -0.0024894700000000 ] - [ -0.0001173300000000, 0.0003020000000000, -0.0001262700000000 ] - [ -0.0000499500000000, 0.0002432800000000, -0.0001951700000000 ] - [ -0.0000006100000000, -0.0002618900000000, -0.0000251500000000 ] - [ -0.0001094900000000, -0.0003131700000000, -0.0000539200000000 ] - [ 0.0013580900000000, 0.0003630500000000, -0.0000360200000000 ] - [ -0.0023226400000000, 0.0001280800000000, -0.0001280900000000 ] - [ -0.0044630900000000, 0.0000954900000000, 0.0001015600000000 ] - [ 0.0043532300000000, -0.0000282700000000, -0.0000938400000000 ] - [ -0.0021838800000000, -0.0004304300000000, -0.0002713100000000 ] - [ 0.0014923600000000, -0.0001948500000000, -0.0001292600000000 ] - [ 0.0002430300000000, 0.0000227400000000, -0.0001682400000000 ] - [ 0.0002610400000000, 0.0000200700000000, -0.0001600500000000 ] - [ -0.0002496200000000, 0.0000249800000000, -0.0001734200000000 ] - [ -0.0002520800000000, 0.0000186300000000, -0.0001532400000000 ] - [ 0.0000864300000000, -0.0003140900000000, -0.0000708300000000 ] - [ 0.0000211200000000, -0.0002516500000000, -0.0000070500000000 ] - [ -0.0002406000000000, -0.0000208700000000, 0.0000227000000000 ] - [ -0.0002500700000000, -0.0000177000000000, 0.0000133900000000 ] - [ 0.0007743700000000, 0.0000584000000000, 0.0014364500000000 ] - [ 0.0003845400000000, 0.0005240500000000, -0.0015418000000000 ] - [ 0.0000322300000000, 0.0002404600000000, -0.0001724900000000 ] - [ 0.0001321900000000, 0.0002928400000000, -0.0001475200000000 ] - [ -0.0218846000000000, -0.0001799700000000, -0.0012689300000000 ] - [ 0.0017527700000000, -0.0000240700000000, -0.0000896900000000 ] - [ 0.0000019600000000, -0.0000012800000000, 0.0000432000000000 ] - [ 0.0000037000000000, -0.0000014700000000, 0.0000429100000000 ] - [ 0.0027662500000000, -0.0000122600000000, -0.0001571900000000 ] - [ 0.0027316100000000, -0.0000117500000000, -0.0001576800000000 ] - [ -0.0000030100000000, -0.0000014100000000, 0.0000434700000000 ] - [ -0.0000029400000000, -0.0000015500000000, 0.0000427000000000 ] - [ -0.0000637900000000, 0.0000239400000000, 0.0001236100000000 ] - [ 0.0003968300000000, 0.0001011600000000, 0.0002170600000000 ] - [ 0.0025093900000000, 0.0024922000000000, 0.0016674400000000 ] - [ -0.0010034300000000, -0.0013564600000000, -0.0006820200000000 ] - [ 0.0002523700000000, -0.0003695100000000, 0.0003208300000000 ] - [ -0.0002357100000000, 0.0003038300000000, -0.0003917400000000 ] - [ -0.0002132400000000, 0.0003427600000000, -0.0002013400000000 ] - [ 0.0002916100000000, -0.0003350600000000, 0.0005000800000000 ] - [ -0.0000415500000000, 0.0000276300000000, 0.0002685900000000 ] - [ 0.0000267100000000, -0.0000245900000000, 0.0000682400000000 ] - [ 0.0030360200000000, 0.0025832500000000, -0.0017588900000000 ] - [ -0.0009899900000000, -0.0009711600000000, 0.0010573900000000 ] - [ -0.0000951400000000, 0.0000320400000000, -0.0000248000000000 ] - [ -0.0001644700000000, 0.0000865600000000, -0.0001436900000000 ] - [ 0.0001526200000000, 0.0000683800000000, -0.0000275400000000 ] - [ 0.0000875600000000, 0.0000439100000000, -0.0001342600000000 ] - [ 0.0007575400000000, 0.0001390100000000, 0.0006865400000000 ] - [ -0.0005695100000000, -0.0001792800000000, -0.0004520100000000 ] - [ -0.0009273800000000, 0.0010787100000000, 0.0010393600000000 ] - [ 0.0025308400000000, -0.0027982100000000, -0.0015980000000000 ] - [ 0.0035631400000000, -0.0030550700000000, 0.0019996300000000 ] - [ -0.0009829400000000, 0.0011539400000000, -0.0011000700000000 ] - [ -0.0001265300000000, 0.0002448000000000, 0.0001030000000000 ] - [ -0.0001132200000000, 0.0002522900000000, 0.0001127800000000 ] - [ 0.0000502600000000, -0.0001720400000000, -0.0000645000000000 ] - [ 0.0000812600000000, -0.0001671900000000, -0.0000837000000000 ] - [ 0.0023071100000000, -0.0023219800000000, -0.0017345400000000 ] - [ -0.0011182200000000, 0.0015649600000000, 0.0009465400000000 ] - [ 0.0001072100000000, -0.0000315100000000, 0.0000965800000000 ] - [ 0.0001792800000000, -0.0000898600000000, 0.0002121500000000 ] - [ 0.0001181900000000, -0.0000206700000000, -0.0000225200000000 ] - [ -0.0003310100000000, -0.0000931600000000, -0.0001110100000000 ] - [ 0.0001183600000000, -0.0002518000000000, 0.0000006200000000 ] - [ 0.0001075800000000, -0.0002591400000000, -0.0000088300000000 ] - [ 0.0004107000000000, -0.0001134700000000, -0.0002617100000000 ] - [ -0.0001382100000000, -0.0000247800000000, 0.0000912400000000 ] - [ 0.0000961800000000, 0.0001630000000000, 0.0001849800000000 ] - [ 0.0000644000000000, 0.0001672900000000, 0.0001748200000000 ] - [ -0.0008967700000000, -0.0010345600000000, -0.0009153000000000 ] - [ 0.0026433600000000, 0.0027986200000000, 0.0013938400000000 ] - [ -0.0006081400000000, -0.0001440900000000, -0.0002747700000000 ] - [ 0.0007274500000000, 0.0001821600000000, 0.0008484400000000 ] - [ -0.0001979200000000, -0.0000885200000000, 0.0001059300000000 ] - [ -0.0001290900000000, -0.0000598300000000, 0.0002089200000000 ] - [ 0.0000961200000000, 0.0000960000000000, 0.0000778900000000 ] - [ -0.0000079900000000, 0.0000085500000000, -0.0000645600000000 ] - [ -0.0001139200000000, -0.0002531400000000, 0.0000030800000000 ] - [ -0.0001127900000000, -0.0002585700000000, -0.0000105700000000 ] - [ -0.0000430800000000, -0.0000319900000000, 0.0001049500000000 ] - [ 0.0000633800000000, 0.0000579500000000, 0.0002552200000000 ] - [ -0.0004271200000000, 0.0001079400000000, 0.0003295800000000 ] - [ 0.0001340000000000, 0.0000135700000000, -0.0000259400000000 ] - [ -0.0000031000000000, 0.0000143600000000, -0.0001127500000000 ] - [ -0.0000724000000000, 0.0000632200000000, 0.0000862400000000 ] - [ -0.0000639600000000, 0.0001673100000000, 0.0001690500000000 ] - [ -0.0000944800000000, 0.0001649400000000, 0.0001881200000000 ] - [ -0.0012621900000000, -0.0014974600000000, 0.0011489600000000 ] - [ 0.0027893400000000, 0.0020537100000000, -0.0016246800000000 ] - [ -0.0000797700000000, -0.0001659400000000, -0.0000775800000000 ] - [ -0.0000492700000000, -0.0001681200000000, -0.0000683700000000 ] - [ -0.0011654300000000, 0.0015024900000000, -0.0013335300000000 ] - [ 0.0033946800000000, -0.0026884200000000, 0.0017234000000000 ] - [ 0.0001195000000000, 0.0002452200000000, 0.0001017600000000 ] - [ 0.0001193400000000, 0.0002512000000000, 0.0001159900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000013300000000, -0.0002931100000000, -0.0000824300000000 ] - [ 0.0000118000000000, -0.0002918000000000, -0.0000737600000000 ] - [ 0.0000025600000000, 0.0002589100000000, -0.0000824500000000 ] - [ 0.0000123100000000, 0.0002633200000000, -0.0000798500000000 ] - [ -0.0000585200000000, -0.0002844600000000, -0.0000574300000000 ] - [ 0.0000213100000000, -0.0002271100000000, -0.0001054500000000 ] - [ 0.0000186600000000, 0.0003311500000000, -0.0001006600000000 ] - [ -0.0000594100000000, 0.0002771700000000, -0.0000613400000000 ] - [ 0.0002481100000000, -0.0000207100000000, 0.0000537000000000 ] - [ 0.0002470400000000, -0.0000209500000000, 0.0000551000000000 ] - [ 0.0000487100000000, -0.0002585900000000, 0.0003710000000000 ] - [ 0.0005369400000000, -0.0001670900000000, 0.0002745100000000 ] - [ -0.0001435600000000, 0.0002609700000000, -0.0000176600000000 ] - [ -0.0000319100000000, 0.0001009700000000, 0.0000183500000000 ] - [ -0.0006205700000000, -0.0004228900000000, 0.0001848600000000 ] - [ -0.0002410500000000, 0.0003832200000000, 0.0001722300000000 ] - [ 0.0000491300000000, -0.0002098600000000, 0.0000503300000000 ] - [ -0.0004571000000000, -0.0002963100000000, 0.0001408600000000 ] - [ -0.0000727600000000, 0.0002767000000000, -0.0001149500000000 ] - [ -0.0000779600000000, 0.0002759900000000, -0.0001183600000000 ] - [ -0.0000595200000000, -0.0002832700000000, 0.0000079200000000 ] - [ -0.0000661900000000, -0.0002798700000000, 0.0000104300000000 ] - [ 0.0000310400000000, -0.0001843500000000, -0.0002116800000000 ] - [ -0.0000592400000000, 0.0000877100000000, -0.0000010500000000 ] - [ 0.0002540600000000, 0.0003423700000000, -0.0000019200000000 ] - [ -0.0001236000000000, -0.0004806200000000, -0.0000793700000000 ] - [ 0.0000763700000000, -0.0004655800000000, -0.0001163700000000 ] - [ 0.0001710900000000, -0.0007383200000000, -0.0003397600000000 ] - [ 0.0002467300000000, 0.0000224700000000, -0.0001287400000000 ] - [ 0.0002528200000000, 0.0000214700000000, -0.0001316100000000 ] - [ -0.0002529800000000, 0.0000225600000000, -0.0001311000000000 ] - [ -0.0002466600000000, 0.0000227400000000, -0.0001281100000000 ] - [ 0.0000568500000000, -0.0002800600000000, 0.0000102500000000 ] - [ 0.0000685300000000, -0.0002771300000000, 0.0000080100000000 ] - [ -0.0002493600000000, -0.0000194600000000, 0.0000533700000000 ] - [ -0.0002457500000000, -0.0000179800000000, 0.0000543100000000 ] - [ 0.0000900800000000, 0.0006582000000000, 0.0001443000000000 ] - [ 0.0000117900000000, 0.0008166800000000, 0.0001074500000000 ] - [ 0.0000760400000000, 0.0002724500000000, -0.0001132500000000 ] - [ 0.0000744900000000, 0.0002718200000000, -0.0001179100000000 ] - [ -0.0001798300000000, -0.0192879900000000, -0.0005158200000000 ] - [ -0.0000241900000000, 0.0003390500000000, -0.0000843600000000 ] - [ 0.0000014500000000, -0.0000006900000000, 0.0000222400000000 ] - [ 0.0000016900000000, -0.0000003700000000, 0.0000220800000000 ] - [ 0.0000340200000000, 0.0027747500000000, -0.0000434700000000 ] - [ -0.0000100300000000, 0.0027747300000000, -0.0000439600000000 ] - [ -0.0000015500000000, -0.0000007400000000, 0.0000227100000000 ] - [ -0.0000015200000000, -0.0000006900000000, 0.0000219500000000 ] - [ 0.0001785400000000, 0.0000728500000000, 0.0001676100000000 ] - [ 0.0001384900000000, 0.0000533200000000, 0.0001320100000000 ] - [ -0.0002523700000000, -0.0003428500000000, 0.0000588400000000 ] - [ 0.0012066400000000, 0.0011986700000000, -0.0002646600000000 ] - [ -0.0000626200000000, 0.0000042600000000, -0.0001370600000000 ] - [ -0.0001005100000000, 0.0001066400000000, -0.0001560100000000 ] - [ -0.0000651700000000, 0.0001427400000000, 0.0000213100000000 ] - [ -0.0000381700000000, 0.0000434300000000, 0.0000480500000000 ] - [ 0.0000027800000000, -0.0000147100000000, 0.0001290800000000 ] - [ -0.0000007400000000, -0.0000217400000000, 0.0001217000000000 ] - [ -0.0000919600000000, 0.0000939700000000, -0.0000441700000000 ] - [ 0.0018358500000000, 0.0024119100000000, 0.0008386400000000 ] - [ -0.0001268600000000, 0.0000649700000000, -0.0001060500000000 ] - [ -0.0001343100000000, 0.0000631700000000, -0.0000994200000000 ] - [ 0.0001374500000000, 0.0000614000000000, -0.0001009200000000 ] - [ 0.0001352900000000, 0.0000642500000000, -0.0000881900000000 ] - [ 0.0000409100000000, -0.0000061000000000, -0.0000482300000000 ] - [ 0.0000037800000000, 0.0000162100000000, -0.0000510900000000 ] - [ -0.0011391500000000, 0.0012848600000000, -0.0005872200000000 ] - [ 0.0002690600000000, -0.0003504000000000, 0.0000462900000000 ] - [ 0.0003612100000000, -0.0002921400000000, 0.0001108300000000 ] - [ -0.0013679000000000, 0.0020206400000000, 0.0004333100000000 ] - [ -0.0001200300000000, 0.0002498700000000, 0.0000818000000000 ] - [ -0.0001174200000000, 0.0002504000000000, 0.0000826400000000 ] - [ 0.0000693500000000, -0.0001686100000000, -0.0000985400000000 ] - [ 0.0000701600000000, -0.0001687100000000, -0.0001007200000000 ] - [ 0.0000346200000000, 0.0001651500000000, -0.0000546400000000 ] - [ -0.0014146600000000, 0.0018263300000000, -0.0007157100000000 ] - [ 0.0001407000000000, -0.0000563100000000, 0.0001393200000000 ] - [ 0.0001475100000000, -0.0000556200000000, 0.0001324500000000 ] - [ -0.0001344000000000, -0.0000665300000000, -0.0001031300000000 ] - [ -0.0000970900000000, -0.0000461300000000, -0.0000711600000000 ] - [ 0.0001146900000000, -0.0002535700000000, -0.0000280400000000 ] - [ 0.0001145700000000, -0.0002538700000000, -0.0000282700000000 ] - [ 0.0001234600000000, -0.0000578100000000, -0.0000806300000000 ] - [ 0.0001551600000000, -0.0000610000000000, -0.0000899000000000 ] - [ 0.0000773900000000, 0.0001651500000000, 0.0001536300000000 ] - [ 0.0000765900000000, 0.0001647800000000, 0.0001536900000000 ] - [ 0.0013936000000000, 0.0015664700000000, -0.0005327400000000 ] - [ -0.0001028700000000, 0.0000034400000000, -0.0001817100000000 ] - [ -0.0000274600000000, 0.0000599200000000, 0.0001223200000000 ] - [ 0.0000057900000000, 0.0000317900000000, 0.0001379200000000 ] - [ -0.0001497500000000, -0.0000666300000000, 0.0001501900000000 ] - [ -0.0001471300000000, -0.0000681200000000, 0.0001375600000000 ] - [ 0.0000308800000000, 0.0000327300000000, -0.0000446500000000 ] - [ 0.0000293300000000, 0.0000364200000000, -0.0000403300000000 ] - [ -0.0001152200000000, -0.0002543000000000, -0.0000283800000000 ] - [ -0.0001147400000000, -0.0002537500000000, -0.0000286000000000 ] - [ -0.0000045700000000, -0.0000039300000000, 0.0001350300000000 ] - [ -0.0000024900000000, -0.0000077600000000, 0.0001316400000000 ] - [ -0.0001291500000000, 0.0000700500000000, 0.0001475200000000 ] - [ -0.0001611900000000, 0.0000703100000000, 0.0001558000000000 ] - [ -0.0000289600000000, 0.0000167700000000, -0.0000639700000000 ] - [ -0.0000287300000000, 0.0000218500000000, -0.0000547700000000 ] - [ -0.0000753000000000, 0.0001653000000000, 0.0001512900000000 ] - [ -0.0000762500000000, 0.0001675100000000, 0.0001532100000000 ] - [ 0.0016469100000000, 0.0019539800000000, 0.0009687800000000 ] - [ -0.0003213900000000, -0.0004004000000000, 0.0000565400000000 ] - [ -0.0000681600000000, -0.0001682000000000, -0.0000978800000000 ] - [ -0.0000689700000000, -0.0001655200000000, -0.0000995100000000 ] - [ -0.0014772200000000, 0.0023111800000000, 0.0001678000000000 ] - [ 0.0002239700000000, 0.0000272600000000, -0.0001291500000000 ] - [ 0.0001181300000000, 0.0002496800000000, 0.0000823700000000 ] - [ 0.0001184500000000, 0.0002496600000000, 0.0000831000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000013600000000, -0.0002706500000000, -0.0023744200000000 ] - [ 0.0000643000000000, -0.0003245900000000, -0.0022952500000000 ] - [ -0.0000008900000000, 0.0002867900000000, -0.0023764300000000 ] - [ 0.0000665900000000, 0.0002357500000000, -0.0022958400000000 ] - [ -0.0001260000000000, -0.0003173800000000, -0.0022531100000000 ] - [ 0.0000715700000000, -0.0002417400000000, -0.0023980600000000 ] - [ 0.0000740500000000, 0.0003217000000000, -0.0023976500000000 ] - [ -0.0001304600000000, 0.0002480300000000, -0.0022570200000000 ] - [ 0.0002088400000000, -0.0000139500000000, -0.0010125600000000 ] - [ 0.0002083900000000, -0.0000154100000000, -0.0010086300000000 ] - [ -0.0023529900000000, 0.0002130900000000, 0.0020853200000000 ] - [ 0.0030672500000000, -0.0000427800000000, 0.0021020200000000 ] - [ -0.0014636700000000, 0.0000259700000000, -0.0017666900000000 ] - [ 0.0008014000000000, 0.0000534800000000, -0.0017961600000000 ] - [ -0.0002499800000000, 0.0001451600000000, 0.0003107100000000 ] - [ -0.0005671300000000, 0.0001742800000000, 0.0038418200000000 ] - [ 0.0026169600000000, -0.0000839600000000, 0.0018860100000000 ] - [ -0.0029118200000000, 0.0001709200000000, 0.0018638800000000 ] - [ -0.0002604800000000, 0.0001700500000000, -0.0015950100000000 ] - [ -0.0002705000000000, 0.0001838500000000, -0.0015919900000000 ] - [ 0.0001233200000000, -0.0003830100000000, -0.0014665800000000 ] - [ 0.0001358000000000, -0.0003691800000000, -0.0014602400000000 ] - [ 0.0002474200000000, 0.0002732700000000, -0.0024784900000000 ] - [ -0.0001933300000000, 0.0000668800000000, -0.0005895700000000 ] - [ -0.0000657800000000, 0.0001312500000000, 0.0036458100000000 ] - [ 0.0002458300000000, 0.0000934200000000, 0.0000625200000000 ] - [ -0.0000602200000000, -0.0004899100000000, -0.0007155000000000 ] - [ 0.0003831900000000, -0.0002856100000000, -0.0026022500000000 ] - [ 0.0002898900000000, 0.0000265400000000, -0.0011940100000000 ] - [ 0.0002909400000000, 0.0000286400000000, -0.0011968600000000 ] - [ -0.0002927900000000, 0.0000279000000000, -0.0011950800000000 ] - [ -0.0002882300000000, 0.0000287700000000, -0.0011959500000000 ] - [ -0.0001350800000000, -0.0003712200000000, -0.0014598800000000 ] - [ -0.0001209400000000, -0.0003830600000000, -0.0014670000000000 ] - [ -0.0002113800000000, -0.0000130100000000, -0.0010110400000000 ] - [ -0.0002058600000000, -0.0000149000000000, -0.0010098400000000 ] - [ 0.0009324100000000, 0.0006034000000000, -0.0016635400000000 ] - [ -0.0013198500000000, 0.0005781000000000, -0.0016353300000000 ] - [ 0.0002763200000000, 0.0001837600000000, -0.0015883600000000 ] - [ 0.0002574600000000, 0.0001715500000000, -0.0015971900000000 ] - [ -0.0012686500000000, -0.0005156100000000, -0.0225384500000000 ] - [ -0.0000894600000000, -0.0000839000000000, -0.0026178000000000 ] - [ 0.0000433500000000, -0.0000221200000000, 0.0006538300000000 ] - [ 0.0000429200000000, -0.0000220300000000, 0.0006542200000000 ] - [ 0.0001465900000000, -0.0000436000000000, -0.0021221100000000 ] - [ 0.0001680100000000, -0.0000436500000000, -0.0021229600000000 ] - [ -0.0000432400000000, -0.0000222800000000, 0.0006537600000000 ] - [ -0.0000431200000000, -0.0000223300000000, 0.0006536400000000 ] - [ 0.0004251700000000, 0.0001322600000000, 0.0008160600000000 ] - [ 0.0002625900000000, 0.0001315300000000, 0.0006727400000000 ] - [ 0.0014576400000000, 0.0014164600000000, 0.0003806100000000 ] - [ -0.0029202500000000, -0.0000075600000000, 0.0022264400000000 ] - [ 0.0000277100000000, -0.0005233600000000, 0.0009342300000000 ] - [ -0.0005688900000000, -0.0003413000000000, 0.0013266600000000 ] - [ -0.0005378900000000, -0.0003002900000000, 0.0015092000000000 ] - [ 0.0000571300000000, -0.0004818100000000, 0.0011186800000000 ] - [ -0.0003479100000000, 0.0002721300000000, 0.0013125400000000 ] - [ -0.0003704400000000, 0.0002984000000000, 0.0013567200000000 ] - [ -0.0011695400000000, -0.0010844100000000, 0.0000600300000000 ] - [ 0.0027905800000000, 0.0004625400000000, 0.0025082800000000 ] - [ 0.0000593700000000, 0.0000216100000000, 0.0005102400000000 ] - [ 0.0000543700000000, 0.0000105000000000, 0.0005191700000000 ] - [ -0.0000730000000000, 0.0000101900000000, 0.0004946200000000 ] - [ -0.0000626500000000, 0.0000135900000000, 0.0005215400000000 ] - [ 0.0006793900000000, -0.0000548200000000, 0.0012091100000000 ] - [ 0.0003282900000000, -0.0004226600000000, 0.0011865800000000 ] - [ 0.0028323100000000, -0.0001236300000000, 0.0022877800000000 ] - [ -0.0010649200000000, 0.0009902600000000, 0.0001856100000000 ] - [ 0.0019809800000000, -0.0018869400000000, 0.0005869000000000 ] - [ -0.0029208300000000, -0.0001015900000000, 0.0028294800000000 ] - [ -0.0001681300000000, 0.0001920600000000, 0.0008445500000000 ] - [ -0.0001703100000000, 0.0001901100000000, 0.0008434800000000 ] - [ -0.0000354400000000, -0.0001922300000000, 0.0006756600000000 ] - [ -0.0000387100000000, -0.0001892300000000, 0.0006802800000000 ] - [ -0.0012976400000000, 0.0014913100000000, 0.0000762800000000 ] - [ 0.0025751500000000, 0.0003667300000000, 0.0021512500000000 ] - [ 0.0003333100000000, -0.0001113700000000, 0.0007604100000000 ] - [ 0.0003388100000000, -0.0001019600000000, 0.0007500400000000 ] - [ -0.0000176200000000, 0.0000071500000000, 0.0004340700000000 ] - [ 0.0001485400000000, 0.0000113700000000, 0.0005775000000000 ] - [ 0.0000630600000000, -0.0003134500000000, 0.0007350100000000 ] - [ 0.0000665400000000, -0.0003112600000000, 0.0007365300000000 ] - [ -0.0001492100000000, -0.0000383500000000, 0.0005703500000000 ] - [ -0.0000012700000000, -0.0000185900000000, 0.0004826900000000 ] - [ 0.0001814700000000, 0.0001419200000000, 0.0009292900000000 ] - [ 0.0001843100000000, 0.0001428400000000, 0.0009299900000000 ] - [ -0.0027535000000000, 0.0003118000000000, 0.0019485200000000 ] - [ 0.0015997800000000, 0.0017447500000000, 0.0001288300000000 ] - [ 0.0002915700000000, -0.0003815700000000, 0.0013601800000000 ] - [ 0.0006414100000000, -0.0000155500000000, 0.0013866700000000 ] - [ -0.0003508400000000, -0.0001181000000000, 0.0007626600000000 ] - [ -0.0003592000000000, -0.0001195000000000, 0.0007341300000000 ] - [ 0.0003998300000000, 0.0003408900000000, 0.0011394000000000 ] - [ 0.0004030300000000, 0.0003314300000000, 0.0011735000000000 ] - [ -0.0000658900000000, -0.0003120700000000, 0.0007361100000000 ] - [ -0.0000632900000000, -0.0003122500000000, 0.0007366300000000 ] - [ 0.0003677400000000, 0.0002893800000000, 0.0013465000000000 ] - [ 0.0003660200000000, 0.0002998200000000, 0.0013159000000000 ] - [ -0.0002898400000000, 0.0001136200000000, 0.0007212500000000 ] - [ -0.0004347400000000, 0.0000895500000000, 0.0008093300000000 ] - [ -0.0004009900000000, 0.0003387800000000, 0.0011748700000000 ] - [ -0.0003802000000000, 0.0003111600000000, 0.0011308300000000 ] - [ -0.0001850800000000, 0.0001448600000000, 0.0009322600000000 ] - [ -0.0001816100000000, 0.0001433600000000, 0.0009273700000000 ] - [ 0.0025781100000000, -0.0000555500000000, 0.0026459900000000 ] - [ -0.0014059600000000, -0.0015923200000000, 0.0001687300000000 ] - [ 0.0000387700000000, -0.0001899800000000, 0.0006781500000000 ] - [ 0.0000348100000000, -0.0001893500000000, 0.0006765100000000 ] - [ -0.0030408200000000, 0.0002466900000000, 0.0025440700000000 ] - [ 0.0018301300000000, -0.0015469600000000, 0.0003337900000000 ] - [ 0.0001706500000000, 0.0001910500000000, 0.0008452800000000 ] - [ 0.0001684500000000, 0.0001912200000000, 0.0008452600000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0024961100000000, -0.0118806100000000, 0.0089127200000000 ] - [ -0.0249280300000000, 0.0008232700000000, 0.0076109200000000 ] - [ 0.0000112900000000, 0.0002726400000000, -0.0007199600000000 ] - [ 0.0000070100000000, 0.0002735800000000, -0.0007199300000000 ] - [ 0.1021070800000000, 0.0598097900000000, 0.0302154200000000 ] - [ -0.0217689300000000, 0.0011999200000000, -0.0018747000000000 ] - [ -0.0000042000000000, 0.0002746100000000, -0.0007189800000000 ] - [ -0.0000126100000000, 0.0002746900000000, -0.0007211500000000 ] - [ 0.0002427200000000, -0.0000195200000000, -0.0002515800000000 ] - [ 0.0002238000000000, -0.0000179600000000, -0.0002258300000000 ] - [ 0.0031319300000000, 0.0004598100000000, 0.0016608800000000 ] - [ -0.0030270100000000, -0.0001513700000000, -0.0010378100000000 ] - [ 0.0084838100000000, -0.0048287900000000, 0.0061555300000000 ] - [ -0.0095450200000000, -0.0020186100000000, -0.0023115400000000 ] - [ 0.0027536000000000, -0.0005515100000000, -0.0019716600000000 ] - [ -0.0025479900000000, 0.0003096800000000, 0.0006589500000000 ] - [ -0.0001766600000000, -0.0000200200000000, -0.0003732000000000 ] - [ -0.0003394500000000, -0.0000255100000000, -0.0005376900000000 ] - [ -0.0001250200000000, 0.0002473900000000, -0.0005420700000000 ] - [ -0.0001359400000000, 0.0002484700000000, -0.0005391300000000 ] - [ 0.0055679400000000, 0.0042385700000000, 0.0059523200000000 ] - [ -0.0064546000000000, -0.0018220000000000, -0.0050444200000000 ] - [ 0.0000154200000000, 0.0003097600000000, -0.0004240500000000 ] - [ -0.0000304400000000, 0.0003093600000000, -0.0003916300000000 ] - [ 0.0001881500000000, -0.0000209200000000, -0.0003215200000000 ] - [ 0.0003260100000000, -0.0000292500000000, -0.0005193000000000 ] - [ -0.0089858800000000, 0.0012860400000000, 0.0064760400000000 ] - [ -0.0025934100000000, 0.0039599100000000, -0.0149448900000000 ] - [ -0.0003893300000000, 0.0004257400000000, -0.0009440300000000 ] - [ 0.0008353800000000, -0.0000477300000000, 0.0008024800000000 ] - [ 0.0004950900000000, 0.0001582200000000, -0.0014026400000000 ] - [ -0.0009934700000000, -0.0004187700000000, 0.0000687800000000 ] - [ 0.0067331000000000, -0.0037840700000000, -0.0038913300000000 ] - [ -0.0050146300000000, 0.0011380500000000, 0.0037880500000000 ] - [ -0.0002286200000000, -0.0000189400000000, -0.0002421200000000 ] - [ -0.0002334900000000, -0.0000198000000000, -0.0002790200000000 ] - [ 0.0000349500000000, 0.0003087000000000, -0.0003938400000000 ] - [ -0.0000175000000000, 0.0003107600000000, -0.0004224800000000 ] - [ 0.0001287900000000, 0.0002469900000000, -0.0005432600000000 ] - [ 0.0001336500000000, 0.0002464800000000, -0.0005376900000000 ] - [ -0.0001994300000000, 0.0000376200000000, 0.0002843700000000 ] - [ 0.0002569400000000, 0.0000021100000000, 0.0001227900000000 ] - [ -0.0000281100000000, -0.0000037400000000, 0.0001955800000000 ] - [ 0.0000440100000000, -0.0000121100000000, 0.0002008800000000 ] - [ -0.0002843500000000, -0.0000106100000000, 0.0001487300000000 ] - [ 0.0002727400000000, 0.0000187800000000, 0.0002922100000000 ] - [ -0.0000536300000000, -0.0000059300000000, 0.0002059100000000 ] - [ 0.0000127300000000, -0.0000039800000000, 0.0002142200000000 ] - [ -0.1564277700000000, -0.1148989400000000, -0.0295872800000000 ] - [ 0.0103771100000000, 0.0055963300000000, 0.0007703800000000 ] - [ 0.0004604700000000, 0.0001971400000000, -0.0028047200000000 ] - [ 0.0024258300000000, -0.0021588100000000, 0.0032640000000000 ] - [ 0.0099690300000000, 0.0119009900000000, -0.0214333400000000 ] - [ 0.0035680400000000, -0.0001658800000000, -0.0016431700000000 ] - [ -0.0001134600000000, -0.0000734300000000, 0.0004868200000000 ] - [ -0.0000969100000000, -0.0000830200000000, 0.0004874000000000 ] - [ -0.0107025700000000, 0.0034860200000000, 0.0151260400000000 ] - [ 0.0044726600000000, -0.0003906400000000, -0.0043557900000000 ] - [ 0.0000908900000000, 0.0002617500000000, 0.0001656400000000 ] - [ 0.0000979300000000, 0.0002725400000000, 0.0002192200000000 ] - [ 0.0257311600000000, -0.0087658400000000, 0.0086179900000000 ] - [ 0.0203227200000000, -0.0038740900000000, -0.0059722400000000 ] - [ 0.0203714100000000, 0.0217972700000000, 0.0034506400000000 ] - [ 0.0202252600000000, 0.0112068500000000, -0.0064725200000000 ] - [ 0.0006143600000000, 0.0008315300000000, -0.0038871100000000 ] - [ 0.0158238700000000, 0.0091574600000000, 0.0126551300000000 ] - [ -0.0044487300000000, -0.0017212500000000, -0.0002448900000000 ] - [ 0.0030721800000000, 0.0010569700000000, 0.0009082900000000 ] - [ 0.0003630200000000, -0.0005109200000000, -0.0022961300000000 ] - [ 0.0034992800000000, 0.0029162400000000, 0.0048116100000000 ] - [ -0.0001388000000000, 0.0002327400000000, 0.0002987500000000 ] - [ -0.0001221100000000, 0.0002285300000000, 0.0003023300000000 ] - [ -0.0020711600000000, -0.0002729900000000, 0.0007244000000000 ] - [ 0.0020289900000000, 0.0009024600000000, -0.0005530900000000 ] - [ -0.0001098100000000, 0.0002719300000000, 0.0001668500000000 ] - [ -0.0001014500000000, 0.0002773500000000, 0.0002191800000000 ] - [ 0.0001908500000000, -0.0000681800000000, 0.0003096800000000 ] - [ 0.0001929900000000, -0.0000684100000000, 0.0003095300000000 ] - [ -0.0000669800000000, -0.0000400900000000, 0.0000813200000000 ] - [ -0.0000647400000000, -0.0000368100000000, 0.0000830100000000 ] - [ 0.0003578800000000, -0.0001661800000000, 0.0011115800000000 ] - [ -0.0001489000000000, -0.0009325900000000, -0.0000437100000000 ] - [ 0.0000736500000000, -0.0000452200000000, 0.0000811300000000 ] - [ 0.0000755300000000, -0.0000473500000000, 0.0000818800000000 ] - [ 0.0001031600000000, 0.0001507100000000, 0.0003791900000000 ] - [ 0.0001061200000000, 0.0001529400000000, 0.0003710300000000 ] - [ -0.0000091900000000, 0.0001707800000000, 0.0001255600000000 ] - [ 0.0001042400000000, 0.0001830300000000, 0.0001273700000000 ] - [ 0.0000949000000000, -0.0000818700000000, 0.0004829600000000 ] - [ 0.0001119700000000, -0.0000729200000000, 0.0004844700000000 ] - [ -0.0002017100000000, -0.0000770300000000, 0.0003114800000000 ] - [ -0.0001973200000000, -0.0000752000000000, 0.0003089700000000 ] - [ 0.0001310300000000, 0.0001139400000000, 0.0002853400000000 ] - [ 0.0001299500000000, 0.0001134800000000, 0.0002841200000000 ] - [ -0.0004170400000000, 0.0001768700000000, 0.0006148200000000 ] - [ 0.0001532700000000, -0.0001767600000000, -0.0007533400000000 ] - [ -0.0037224800000000, 0.0026356500000000, -0.0140120700000000 ] - [ 0.0044988600000000, -0.0001057700000000, 0.0035290400000000 ] - [ -0.0204593300000000, 0.0144615400000000, 0.0009839200000000 ] - [ 0.0101993800000000, -0.0053204700000000, -0.0023585200000000 ] - [ -0.0001296200000000, 0.0001126500000000, 0.0002830200000000 ] - [ -0.0001279600000000, 0.0001120300000000, 0.0002793000000000 ] - [ -0.0001133000000000, 0.0001613800000000, 0.0003797100000000 ] - [ -0.0001083600000000, 0.0001609700000000, 0.0003714300000000 ] - [ -0.0042911700000000, 0.0013287700000000, 0.0009161000000000 ] - [ 0.0030309100000000, -0.0014553100000000, -0.0011206500000000 ] - [ -0.0022326100000000, 0.0000958800000000, -0.0005893700000000 ] - [ 0.0019558500000000, -0.0013288400000000, 0.0009051400000000 ] - [ -0.0000897900000000, 0.0001746300000000, 0.0001298500000000 ] - [ 0.0000242500000000, 0.0001608800000000, 0.0001216100000000 ] - [ 0.0001284300000000, 0.0002355400000000, 0.0002996600000000 ] - [ 0.0001435600000000, 0.0002398000000000, 0.0003016900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018873700000000, 0.0105955100000000, -0.0086649500000000 ] - [ 0.0249112200000000, -0.0013298700000000, -0.0075713200000000 ] - [ -0.0000122200000000, 0.0002685500000000, 0.0007181000000000 ] - [ -0.0000036200000000, 0.0002710100000000, 0.0007204300000000 ] - [ -0.0982136100000000, -0.0558766700000000, -0.0282292400000000 ] - [ 0.0218126900000000, -0.0017716400000000, 0.0018931300000000 ] - [ 0.0000066400000000, 0.0002687500000000, 0.0007186600000000 ] - [ 0.0000095500000000, 0.0002679600000000, 0.0007183700000000 ] - [ 0.0002481400000000, -0.0000228800000000, 0.0004388800000000 ] - [ 0.0002671900000000, -0.0000255600000000, 0.0004102800000000 ] - [ -0.0026393300000000, -0.0004192200000000, -0.0014783300000000 ] - [ 0.0035193200000000, 0.0001991900000000, 0.0012290400000000 ] - [ -0.0085437000000000, 0.0041897100000000, -0.0063712400000000 ] - [ 0.0094423500000000, 0.0014656800000000, 0.0022184500000000 ] - [ -0.0032603100000000, 0.0005899600000000, 0.0021626800000000 ] - [ 0.0020700200000000, -0.0002621500000000, -0.0004728700000000 ] - [ -0.0003132100000000, -0.0000219600000000, 0.0001843900000000 ] - [ -0.0001521600000000, -0.0000168800000000, 0.0003498500000000 ] - [ -0.0000117400000000, 0.0003110300000000, 0.0004087100000000 ] - [ 0.0000003200000000, 0.0003122900000000, 0.0004065400000000 ] - [ -0.0057551800000000, -0.0047772000000000, -0.0057727700000000 ] - [ 0.0063147400000000, 0.0012589400000000, 0.0051279900000000 ] - [ -0.0001514400000000, 0.0002503100000000, 0.0005541600000000 ] - [ -0.0001027000000000, 0.0002516100000000, 0.0005216300000000 ] - [ 0.0003036900000000, -0.0000219800000000, 0.0001338200000000 ] - [ 0.0001638300000000, -0.0000132500000000, 0.0003301900000000 ] - [ 0.0091430900000000, -0.0018543400000000, -0.0065949500000000 ] - [ 0.0025477100000000, -0.0044792000000000, 0.0147364200000000 ] - [ 0.0008898500000000, -0.0003818200000000, 0.0007516500000000 ] - [ -0.0003499300000000, 0.0000892300000000, -0.0009855100000000 ] - [ -0.0009818100000000, -0.0001169200000000, 0.0012195900000000 ] - [ 0.0004960300000000, 0.0004622100000000, -0.0002622200000000 ] - [ -0.0065632700000000, 0.0032171700000000, 0.0040683400000000 ] - [ 0.0051406900000000, -0.0016937200000000, -0.0036854900000000 ] - [ -0.0002638500000000, -0.0000231300000000, 0.0004290200000000 ] - [ -0.0002552400000000, -0.0000222800000000, 0.0004636900000000 ] - [ 0.0001015700000000, 0.0002509000000000, 0.0005240700000000 ] - [ 0.0001523500000000, 0.0002507000000000, 0.0005531200000000 ] - [ 0.0000078300000000, 0.0003136300000000, 0.0004121500000000 ] - [ 0.0000019400000000, 0.0003137000000000, 0.0004047600000000 ] - [ 0.0001998000000000, -0.0000378700000000, -0.0002820100000000 ] - [ -0.0002592400000000, -0.0000032700000000, -0.0001211600000000 ] - [ 0.0000272300000000, 0.0000049400000000, -0.0001923600000000 ] - [ -0.0000436000000000, 0.0000122400000000, -0.0002016100000000 ] - [ 0.0002850300000000, 0.0000114900000000, -0.0001465500000000 ] - [ -0.0002713100000000, -0.0000179300000000, -0.0002902800000000 ] - [ 0.0000544600000000, 0.0000051100000000, -0.0002010000000000 ] - [ -0.0000132300000000, 0.0000029300000000, -0.0002163400000000 ] - [ 0.1534070400000000, 0.1116577000000000, 0.0278359500000000 ] - [ -0.0101353400000000, -0.0054941600000000, -0.0005706100000000 ] - [ -0.0006351700000000, -0.0005021800000000, 0.0030786300000000 ] - [ -0.0025741800000000, 0.0018355600000000, -0.0030313700000000 ] - [ -0.0099979300000000, -0.0118806100000000, 0.0210141300000000 ] - [ -0.0035478200000000, 0.0001245700000000, 0.0013874800000000 ] - [ 0.0001307500000000, 0.0001031700000000, -0.0002624500000000 ] - [ 0.0001148600000000, 0.0001111300000000, -0.0002619600000000 ] - [ 0.0106010000000000, -0.0035914800000000, -0.0148920500000000 ] - [ -0.0044572600000000, 0.0003688300000000, 0.0045960000000000 ] - [ 0.0001448800000000, 0.0002427400000000, -0.0002721200000000 ] - [ 0.0001397200000000, 0.0002318600000000, -0.0003257100000000 ] - [ -0.0257024000000000, 0.0087999200000000, -0.0087195300000000 ] - [ -0.0208366800000000, 0.0040021400000000, 0.0058660400000000 ] - [ -0.0199475900000000, -0.0215370000000000, -0.0036376700000000 ] - [ -0.0200950200000000, -0.0111200300000000, 0.0062802900000000 ] - [ -0.0006207900000000, -0.0008586500000000, 0.0036376300000000 ] - [ -0.0159894700000000, -0.0093578500000000, -0.0130988700000000 ] - [ 0.0047074900000000, 0.0012339100000000, 0.0003614600000000 ] - [ -0.0028442100000000, -0.0015689400000000, -0.0008125500000000 ] - [ -0.0002208900000000, 0.0001825300000000, 0.0025463100000000 ] - [ -0.0033467300000000, -0.0032397500000000, -0.0045596400000000 ] - [ -0.0000975100000000, 0.0002710700000000, -0.0001914100000000 ] - [ -0.0001141300000000, 0.0002756500000000, -0.0001937500000000 ] - [ 0.0022204900000000, -0.0000517600000000, -0.0009827500000000 ] - [ -0.0018776500000000, -0.0012238600000000, 0.0003165800000000 ] - [ -0.0001267000000000, 0.0002324900000000, -0.0002742900000000 ] - [ -0.0001341600000000, 0.0002265300000000, -0.0003263600000000 ] - [ 0.0000598800000000, -0.0000343500000000, -0.0000867900000000 ] - [ 0.0000540200000000, -0.0000315800000000, -0.0000894000000000 ] - [ -0.0001846200000000, -0.0000640600000000, -0.0003028100000000 ] - [ -0.0001822800000000, -0.0000622800000000, -0.0003019700000000 ] - [ -0.0001317800000000, -0.0003439800000000, -0.0012195200000000 ] - [ 0.0003916100000000, 0.0004280100000000, -0.0000662300000000 ] - [ 0.0001979400000000, -0.0000761600000000, -0.0003048200000000 ] - [ 0.0001993600000000, -0.0000789000000000, -0.0003050300000000 ] - [ 0.0000461500000000, 0.0001713700000000, -0.0001272900000000 ] - [ 0.0000457500000000, 0.0001690000000000, -0.0001189400000000 ] - [ 0.0001589900000000, 0.0001534000000000, -0.0003754700000000 ] - [ 0.0000463300000000, 0.0001418700000000, -0.0003788500000000 ] - [ -0.0001175900000000, 0.0001137400000000, -0.0002726900000000 ] - [ -0.0001350600000000, 0.0001041200000000, -0.0002768900000000 ] - [ -0.0000704000000000, -0.0000459900000000, -0.0000854300000000 ] - [ -0.0000743300000000, -0.0000475000000000, -0.0000852300000000 ] - [ -0.0001086800000000, -0.0000832000000000, -0.0004946000000000 ] - [ -0.0001055700000000, -0.0000818000000000, -0.0004886200000000 ] - [ 0.0001685100000000, -0.0006767200000000, -0.0007291100000000 ] - [ -0.0003795000000000, -0.0003293300000000, 0.0006465400000000 ] - [ 0.0038002800000000, -0.0026347000000000, 0.0142108600000000 ] - [ -0.0045092700000000, 0.0000692100000000, -0.0032974500000000 ] - [ 0.0203916200000000, -0.0146004900000000, -0.0008147300000000 ] - [ -0.0104581900000000, 0.0054290800000000, 0.0025675300000000 ] - [ 0.0001119200000000, -0.0000818700000000, -0.0005044000000000 ] - [ 0.0001090200000000, -0.0000828400000000, -0.0005005300000000 ] - [ -0.0000394000000000, 0.0001619100000000, -0.0001267800000000 ] - [ -0.0000401900000000, 0.0001660400000000, -0.0001177400000000 ] - [ 0.0040692100000000, -0.0018422800000000, -0.0008031100000000 ] - [ -0.0032752800000000, 0.0009555000000000, 0.0012247700000000 ] - [ 0.0020872500000000, -0.0004280800000000, 0.0003296900000000 ] - [ -0.0021012300000000, 0.0010017400000000, -0.0011405400000000 ] - [ -0.0000602000000000, 0.0001469400000000, -0.0003821800000000 ] - [ -0.0001745800000000, 0.0001630000000000, -0.0003740500000000 ] - [ 0.0001108600000000, 0.0002673200000000, -0.0001914700000000 ] - [ 0.0000909700000000, 0.0002653000000000, -0.0001920000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067976500000000, -0.0010643200000000, 0.0028405000000000 ] - [ -0.0131030000000000, -0.0007888400000000, 0.0041918200000000 ] - [ 0.0000015900000000, 0.0002717200000000, -0.0001717100000000 ] - [ 0.0000034200000000, 0.0002723100000000, -0.0001724100000000 ] - [ 0.0783359200000000, 0.0656039000000000, 0.0284261200000000 ] - [ -0.0112253400000000, -0.0035636900000000, -0.0028839100000000 ] - [ 0.0000003700000000, 0.0002742400000000, -0.0001726300000000 ] - [ -0.0000045600000000, 0.0002750500000000, -0.0001726100000000 ] - [ 0.0002436000000000, -0.0000217200000000, 0.0000131100000000 ] - [ 0.0002415000000000, -0.0000195300000000, 0.0000352100000000 ] - [ 0.0009318000000000, -0.0000229600000000, 0.0009745500000000 ] - [ 0.0000290100000000, -0.0004816400000000, -0.0000601900000000 ] - [ 0.0072413700000000, -0.0075558800000000, -0.0025234800000000 ] - [ -0.0051086800000000, -0.0018129500000000, -0.0035054300000000 ] - [ -0.0001657600000000, 0.0000391900000000, -0.0007328800000000 ] - [ -0.0006800300000000, 0.0006501000000000, 0.0001551000000000 ] - [ -0.0002476000000000, -0.0000212400000000, -0.0001917500000000 ] - [ -0.0002523200000000, -0.0000180700000000, -0.0001866500000000 ] - [ -0.0000823800000000, 0.0002723900000000, -0.0001815100000000 ] - [ -0.0000870900000000, 0.0002716300000000, -0.0001795500000000 ] - [ 0.0047198100000000, 0.0042376300000000, 0.0006796500000000 ] - [ -0.0036514100000000, -0.0010512100000000, -0.0022833100000000 ] - [ -0.0000565500000000, 0.0002858700000000, -0.0000484400000000 ] - [ -0.0000531000000000, 0.0002858100000000, -0.0000458300000000 ] - [ 0.0002578400000000, -0.0000232300000000, -0.0001563600000000 ] - [ 0.0002395200000000, -0.0000258200000000, -0.0001720000000000 ] - [ -0.0044839100000000, 0.0011509900000000, 0.0037394900000000 ] - [ -0.0002589300000000, 0.0065979800000000, -0.0048992300000000 ] - [ -0.0002772300000000, 0.0002629800000000, -0.0004328900000000 ] - [ 0.0006854600000000, -0.0000370000000000, 0.0009682800000000 ] - [ 0.0001411400000000, 0.0001099400000000, -0.0010675700000000 ] - [ -0.0006645400000000, -0.0002316600000000, 0.0000659400000000 ] - [ 0.0053846200000000, -0.0053372500000000, -0.0007044500000000 ] - [ -0.0034328900000000, 0.0009711800000000, 0.0025422800000000 ] - [ -0.0002389700000000, -0.0000214900000000, 0.0000037500000000 ] - [ -0.0002451800000000, -0.0000219600000000, -0.0000099900000000 ] - [ 0.0000572900000000, 0.0002883200000000, -0.0000475200000000 ] - [ 0.0000526100000000, 0.0002860000000000, -0.0000452600000000 ] - [ 0.0000818100000000, 0.0002694300000000, -0.0001804400000000 ] - [ 0.0000847400000000, 0.0002706800000000, -0.0001790500000000 ] - [ -0.0000376000000000, 0.0000099100000000, 0.0000694700000000 ] - [ 0.0000411800000000, -0.0000053600000000, 0.0000700600000000 ] - [ -0.0000274000000000, 0.0000025700000000, 0.0000526400000000 ] - [ 0.0000309900000000, 0.0000027900000000, 0.0000427400000000 ] - [ -0.0000449800000000, 0.0000076800000000, 0.0000516500000000 ] - [ 0.0000514600000000, 0.0000053700000000, 0.0000261600000000 ] - [ -0.0000214300000000, -0.0000004100000000, 0.0000523500000000 ] - [ 0.0000056800000000, -0.0000022500000000, 0.0000531100000000 ] - [ -0.1142637000000000, -0.1461361600000000, -0.0194069100000000 ] - [ 0.0056536600000000, 0.0031379500000000, 0.0005319700000000 ] - [ -0.0009923500000000, 0.0012589800000000, 0.0001836900000000 ] - [ -0.0002115900000000, 0.0004265200000000, 0.0006253600000000 ] - [ 0.0080254500000000, 0.0080326700000000, -0.0158554000000000 ] - [ 0.0004331100000000, 0.0004369300000000, 0.0009499100000000 ] - [ -0.0000161500000000, -0.0000062200000000, 0.0001935300000000 ] - [ -0.0000160300000000, -0.0000059300000000, 0.0001944000000000 ] - [ -0.0043869500000000, 0.0052520800000000, 0.0152353100000000 ] - [ 0.0029263800000000, 0.0005899100000000, -0.0021459800000000 ] - [ 0.0001072600000000, 0.0002495700000000, 0.0000043800000000 ] - [ 0.0001143400000000, 0.0002536100000000, 0.0000040000000000 ] - [ 0.0086490800000000, -0.0132759000000000, 0.0027274700000000 ] - [ 0.0038163500000000, -0.0031635500000000, -0.0010504200000000 ] - [ 0.0112728500000000, 0.0154184000000000, 0.0017891500000000 ] - [ 0.0216715800000000, 0.0152769100000000, -0.0062193300000000 ] - [ -0.0001372100000000, 0.0002309800000000, -0.0023563000000000 ] - [ 0.0142934800000000, 0.0034067400000000, 0.0109490600000000 ] - [ -0.0000069000000000, 0.0004639700000000, 0.0004296500000000 ] - [ 0.0014246300000000, 0.0009432000000000, 0.0011144400000000 ] - [ -0.0000312800000000, -0.0007112600000000, -0.0008508500000000 ] - [ -0.0003255600000000, -0.0012366000000000, 0.0002380800000000 ] - [ -0.0001222100000000, 0.0002452600000000, 0.0001149600000000 ] - [ -0.0001119100000000, 0.0002432300000000, 0.0001149100000000 ] - [ -0.0013147600000000, 0.0001098000000000, 0.0004073300000000 ] - [ 0.0011437300000000, 0.0003945500000000, -0.0004611500000000 ] - [ -0.0001169300000000, 0.0002638500000000, 0.0000049700000000 ] - [ -0.0001116900000000, 0.0002611400000000, 0.0000035500000000 ] - [ 0.0001449300000000, -0.0000575000000000, 0.0001623400000000 ] - [ 0.0001446400000000, -0.0000565000000000, 0.0001613800000000 ] - [ -0.0001157800000000, -0.0000508000000000, -0.0000684800000000 ] - [ -0.0001135200000000, -0.0000482000000000, -0.0000678500000000 ] - [ 0.0005170400000000, -0.0001104900000000, 0.0006867100000000 ] - [ -0.0000070800000000, -0.0009593900000000, -0.0001278900000000 ] - [ 0.0001238000000000, -0.0000586900000000, -0.0000683300000000 ] - [ 0.0001261100000000, -0.0000611900000000, -0.0000688300000000 ] - [ 0.0000788900000000, 0.0001577400000000, 0.0001888800000000 ] - [ 0.0000761400000000, 0.0001581400000000, 0.0001838100000000 ] - [ 0.0000667500000000, 0.0001763400000000, -0.0000639900000000 ] - [ 0.0000689700000000, 0.0001708300000000, -0.0000671600000000 ] - [ 0.0000148300000000, -0.0000035500000000, 0.0001892100000000 ] - [ 0.0000141100000000, -0.0000040200000000, 0.0001883400000000 ] - [ -0.0001558100000000, -0.0000671700000000, 0.0001632900000000 ] - [ -0.0001539800000000, -0.0000669100000000, 0.0001614500000000 ] - [ 0.0000422800000000, 0.0000409500000000, -0.0000052700000000 ] - [ 0.0000408700000000, 0.0000415700000000, -0.0000063000000000 ] - [ -0.0001871300000000, 0.0002843900000000, 0.0002158400000000 ] - [ 0.0001638400000000, -0.0001416100000000, -0.0006015600000000 ] - [ 0.0011525400000000, 0.0018612200000000, -0.0149393300000000 ] - [ 0.0024566400000000, 0.0000166600000000, 0.0020209900000000 ] - [ -0.0145799000000000, 0.0495852800000000, 0.0015279600000000 ] - [ 0.0052381600000000, -0.0025069500000000, -0.0009167700000000 ] - [ -0.0000394600000000, 0.0000405300000000, -0.0000087100000000 ] - [ -0.0000395500000000, 0.0000393400000000, -0.0000117100000000 ] - [ -0.0000853600000000, 0.0001678200000000, 0.0001893700000000 ] - [ -0.0000862800000000, 0.0001684700000000, 0.0001842900000000 ] - [ -0.0006251800000000, -0.0005118200000000, 0.0003840400000000 ] - [ 0.0011527100000000, -0.0012869300000000, -0.0005590400000000 ] - [ -0.0015551500000000, -0.0002331200000000, -0.0004944900000000 ] - [ 0.0010173900000000, -0.0007191200000000, 0.0002521200000000 ] - [ -0.0000642800000000, 0.0001584400000000, -0.0000627300000000 ] - [ -0.0000620400000000, 0.0001630100000000, -0.0000679800000000 ] - [ 0.0001205700000000, 0.0002512500000000, 0.0001152600000000 ] - [ 0.0001284600000000, 0.0002541800000000, 0.0001144100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0058877300000000, -0.0002203500000000, -0.0024876000000000 ] - [ 0.0131438800000000, 0.0002590500000000, -0.0041877800000000 ] - [ -0.0000025800000000, 0.0002720500000000, 0.0001668400000000 ] - [ -0.0000004700000000, 0.0002734500000000, 0.0001659100000000 ] - [ -0.0748254900000000, -0.0638938900000000, -0.0270653600000000 ] - [ 0.0112895600000000, 0.0030654100000000, 0.0029357900000000 ] - [ 0.0000023500000000, 0.0002739600000000, 0.0001679000000000 ] - [ 0.0000018500000000, 0.0002735100000000, 0.0001646400000000 ] - [ 0.0002489200000000, -0.0000211300000000, 0.0001698400000000 ] - [ 0.0002505400000000, -0.0000240100000000, 0.0001480600000000 ] - [ -0.0004303400000000, 0.0000685700000000, -0.0007967400000000 ] - [ 0.0004524900000000, 0.0005240700000000, 0.0002445600000000 ] - [ -0.0074044000000000, 0.0069768800000000, 0.0023981500000000 ] - [ 0.0049881000000000, 0.0012756500000000, 0.0034138300000000 ] - [ -0.0003310000000000, 0.0000011400000000, 0.0009178400000000 ] - [ 0.0001960500000000, -0.0006103500000000, 0.0000305500000000 ] - [ -0.0002434500000000, -0.0000204700000000, 0.0000040300000000 ] - [ -0.0002413100000000, -0.0000233200000000, -0.0000011000000000 ] - [ -0.0000560400000000, 0.0002836700000000, 0.0000473900000000 ] - [ -0.0000514300000000, 0.0002871100000000, 0.0000447900000000 ] - [ -0.0049008800000000, -0.0048027100000000, -0.0005067700000000 ] - [ 0.0035220900000000, 0.0004998200000000, 0.0024182200000000 ] - [ -0.0000815600000000, 0.0002713700000000, 0.0001760500000000 ] - [ -0.0000825600000000, 0.0002726000000000, 0.0001739600000000 ] - [ 0.0002349200000000, -0.0000193500000000, -0.0000309400000000 ] - [ 0.0002522200000000, -0.0000166200000000, -0.0000159900000000 ] - [ 0.0046497700000000, -0.0017052600000000, -0.0038720800000000 ] - [ 0.0002216800000000, -0.0071247700000000, 0.0046132300000000 ] - [ 0.0007706900000000, -0.0002227900000000, 0.0002481200000000 ] - [ -0.0001932200000000, 0.0000801800000000, -0.0011661700000000 ] - [ -0.0006379400000000, -0.0000655400000000, 0.0008826500000000 ] - [ 0.0001769100000000, 0.0002756600000000, -0.0002530500000000 ] - [ -0.0052769400000000, 0.0047898600000000, 0.0008421200000000 ] - [ 0.0035994900000000, -0.0015348500000000, -0.0024304600000000 ] - [ -0.0002550200000000, -0.0000192300000000, 0.0001797500000000 ] - [ -0.0002450000000000, -0.0000193000000000, 0.0001930600000000 ] - [ 0.0000819400000000, 0.0002688800000000, 0.0001756400000000 ] - [ 0.0000840100000000, 0.0002719100000000, 0.0001737400000000 ] - [ 0.0000574400000000, 0.0002876900000000, 0.0000477700000000 ] - [ 0.0000520500000000, 0.0002853100000000, 0.0000450800000000 ] - [ 0.0000384600000000, -0.0000094400000000, -0.0000673100000000 ] - [ -0.0000419600000000, 0.0000056500000000, -0.0000696600000000 ] - [ 0.0000266600000000, -0.0000021100000000, -0.0000506800000000 ] - [ -0.0000300700000000, -0.0000021200000000, -0.0000416400000000 ] - [ 0.0000440000000000, -0.0000072500000000, -0.0000494300000000 ] - [ -0.0000504800000000, -0.0000048000000000, -0.0000244100000000 ] - [ 0.0000218400000000, 0.0000007800000000, -0.0000499500000000 ] - [ -0.0000061400000000, 0.0000024800000000, -0.0000530000000000 ] - [ 0.1122766500000000, 0.1455876000000000, 0.0180376800000000 ] - [ -0.0054294700000000, -0.0030485900000000, -0.0003081100000000 ] - [ 0.0008471700000000, -0.0015963000000000, 0.0000639400000000 ] - [ 0.0000842700000000, -0.0007741700000000, -0.0003668100000000 ] - [ -0.0080318600000000, -0.0081365100000000, 0.0155958900000000 ] - [ -0.0004280200000000, -0.0004811700000000, -0.0011893200000000 ] - [ 0.0000387700000000, 0.0000401600000000, 0.0000112700000000 ] - [ 0.0000376800000000, 0.0000389600000000, 0.0000139100000000 ] - [ 0.0044228100000000, -0.0053181400000000, -0.0150175600000000 ] - [ -0.0029196500000000, -0.0006315500000000, 0.0023556500000000 ] - [ 0.0001267200000000, 0.0002561600000000, -0.0001138800000000 ] - [ 0.0001191100000000, 0.0002522500000000, -0.0001131200000000 ] - [ -0.0089230400000000, 0.0131983200000000, -0.0029747600000000 ] - [ -0.0040641600000000, 0.0033079500000000, 0.0008091600000000 ] - [ -0.0110546200000000, -0.0153103100000000, -0.0020401500000000 ] - [ -0.0216628600000000, -0.0154528900000000, 0.0060701400000000 ] - [ 0.0001548400000000, -0.0002686500000000, 0.0021546800000000 ] - [ -0.0144088400000000, -0.0033914600000000, -0.0113256800000000 ] - [ 0.0002346900000000, -0.0009688800000000, -0.0003114800000000 ] - [ -0.0011972600000000, -0.0014556700000000, -0.0010152800000000 ] - [ 0.0001739200000000, 0.0003867000000000, 0.0011062200000000 ] - [ 0.0004812200000000, 0.0009235000000000, 0.0000173000000000 ] - [ -0.0001122600000000, 0.0002600800000000, -0.0000025800000000 ] - [ -0.0001207700000000, 0.0002623800000000, -0.0000020900000000 ] - [ 0.0014674400000000, -0.0004434300000000, -0.0006587900000000 ] - [ -0.0010004500000000, -0.0007268300000000, 0.0002113300000000 ] - [ -0.0001160900000000, 0.0002419800000000, -0.0001154500000000 ] - [ -0.0001220000000000, 0.0002441300000000, -0.0001137700000000 ] - [ 0.0001177800000000, -0.0000517900000000, 0.0000709200000000 ] - [ 0.0001143200000000, -0.0000502100000000, 0.0000684600000000 ] - [ -0.0001458600000000, -0.0000591600000000, -0.0001609700000000 ] - [ -0.0001445000000000, -0.0000563800000000, -0.0001601600000000 ] - [ -0.0002853100000000, -0.0003963200000000, -0.0008016900000000 ] - [ 0.0002373900000000, 0.0004597600000000, 0.0000206500000000 ] - [ 0.0001509700000000, -0.0000619300000000, -0.0001613700000000 ] - [ 0.0001528700000000, -0.0000656100000000, -0.0001614100000000 ] - [ 0.0000686600000000, 0.0001712000000000, 0.0000665100000000 ] - [ 0.0000710400000000, 0.0001707300000000, 0.0000706500000000 ] - [ 0.0000798900000000, 0.0001554000000000, -0.0001866900000000 ] - [ 0.0000781300000000, 0.0001606400000000, -0.0001844800000000 ] - [ -0.0000411200000000, 0.0000397200000000, 0.0000049100000000 ] - [ -0.0000399400000000, 0.0000391500000000, 0.0000073300000000 ] - [ -0.0001228500000000, -0.0000574200000000, 0.0000711200000000 ] - [ -0.0001231600000000, -0.0000570000000000, 0.0000699900000000 ] - [ -0.0000144800000000, -0.0000050600000000, -0.0001867000000000 ] - [ -0.0000143800000000, -0.0000042500000000, -0.0001830900000000 ] - [ -0.0000435900000000, -0.0007900800000000, -0.0003260200000000 ] - [ -0.0003994000000000, -0.0003636800000000, 0.0004932400000000 ] - [ -0.0011803600000000, -0.0018397400000000, 0.0153281300000000 ] - [ -0.0024912500000000, -0.0000555400000000, -0.0018349300000000 ] - [ 0.0144859700000000, -0.0499321100000000, -0.0013305000000000 ] - [ -0.0055134600000000, 0.0026272200000000, 0.0011411700000000 ] - [ 0.0000168200000000, -0.0000048200000000, -0.0001912200000000 ] - [ 0.0000149500000000, -0.0000055600000000, -0.0001904100000000 ] - [ -0.0000625900000000, 0.0001629200000000, 0.0000652800000000 ] - [ -0.0000611600000000, 0.0001639700000000, 0.0000701600000000 ] - [ 0.0004009400000000, 0.0000070700000000, -0.0002627300000000 ] - [ -0.0013884200000000, 0.0007844000000000, 0.0006648300000000 ] - [ 0.0014201900000000, -0.0000956200000000, 0.0002436700000000 ] - [ -0.0011703600000000, 0.0003946300000000, -0.0005060300000000 ] - [ -0.0000825100000000, 0.0001703800000000, -0.0001895100000000 ] - [ -0.0000851500000000, 0.0001673000000000, -0.0001841900000000 ] - [ 0.0001146400000000, 0.0002532400000000, -0.0000021200000000 ] - [ 0.0001039600000000, 0.0002518600000000, -0.0000005000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0025623300000000, -0.0085410000000000, 0.0223076700000000 ] - [ -0.0066897400000000, 0.0001467700000000, 0.0090810500000000 ] - [ 0.0000261300000000, 0.0002714300000000, -0.0022434600000000 ] - [ 0.0000280000000000, 0.0002734300000000, -0.0022398600000000 ] - [ 0.0281367500000000, 0.0232330700000000, 0.0312541900000000 ] - [ 0.0008054300000000, -0.0011126800000000, 0.0099932200000000 ] - [ -0.0000216400000000, 0.0002758600000000, -0.0022407900000000 ] - [ -0.0000309500000000, 0.0002765600000000, -0.0022439800000000 ] - [ 0.0002006600000000, -0.0000136000000000, -0.0009923400000000 ] - [ 0.0002146700000000, -0.0000164200000000, -0.0009511700000000 ] - [ 0.0019699000000000, -0.0001331700000000, -0.0007582600000000 ] - [ -0.0019830900000000, 0.0000834800000000, -0.0008823300000000 ] - [ 0.0056943400000000, -0.0048931600000000, 0.0004194200000000 ] - [ -0.0046403000000000, -0.0016728700000000, 0.0027441400000000 ] - [ 0.0008637800000000, -0.0003283800000000, -0.0017128100000000 ] - [ -0.0003817100000000, 0.0006137500000000, -0.0001547700000000 ] - [ -0.0002225600000000, -0.0000268300000000, -0.0011347200000000 ] - [ -0.0003483000000000, -0.0000290800000000, -0.0011825700000000 ] - [ -0.0002631800000000, 0.0001818600000000, -0.0015375100000000 ] - [ -0.0002566800000000, 0.0001839800000000, -0.0015327000000000 ] - [ 0.0058500000000000, -0.0012262100000000, -0.0047071400000000 ] - [ -0.0022319000000000, -0.0003263200000000, 0.0002085200000000 ] - [ 0.0001305900000000, 0.0003751400000000, -0.0014248000000000 ] - [ 0.0001124600000000, 0.0003752800000000, -0.0014007500000000 ] - [ 0.0002541000000000, -0.0000272100000000, -0.0010878900000000 ] - [ 0.0003124200000000, -0.0000337400000000, -0.0012263100000000 ] - [ -0.0000177400000000, -0.0013088400000000, 0.0037723700000000 ] - [ -0.0109476800000000, 0.0021466300000000, -0.0055309700000000 ] - [ -0.0005529900000000, 0.0000266700000000, -0.0008551800000000 ] - [ 0.0009857300000000, 0.0002024600000000, -0.0016714400000000 ] - [ -0.0007820000000000, 0.0000855100000000, -0.0016303500000000 ] - [ 0.0002862000000000, -0.0001248100000000, -0.0006915300000000 ] - [ -0.0020603100000000, -0.0013399100000000, -0.0034676400000000 ] - [ 0.0012449400000000, 0.0000847900000000, 0.0010536100000000 ] - [ -0.0001931500000000, -0.0000135200000000, -0.0009820900000000 ] - [ -0.0002213800000000, -0.0000144500000000, -0.0009569600000000 ] - [ -0.0001029100000000, 0.0003731100000000, -0.0014070200000000 ] - [ -0.0001382700000000, 0.0003734900000000, -0.0014190000000000 ] - [ 0.0002560100000000, 0.0001822400000000, -0.0015317600000000 ] - [ 0.0002636900000000, 0.0001800200000000, -0.0015358700000000 ] - [ 0.0000061200000000, 0.0000476300000000, 0.0006941100000000 ] - [ 0.0000973200000000, 0.0000147900000000, 0.0005521100000000 ] - [ -0.0000245000000000, -0.0000190600000000, 0.0006371300000000 ] - [ 0.0000945900000000, -0.0000134500000000, 0.0006283900000000 ] - [ -0.0002089500000000, 0.0000286000000000, 0.0006007200000000 ] - [ 0.0001425900000000, 0.0000373100000000, 0.0006862500000000 ] - [ 0.0000152500000000, -0.0000303500000000, 0.0006397500000000 ] - [ -0.0000912400000000, -0.0000189800000000, 0.0006117700000000 ] - [ -0.0284758300000000, -0.0186643400000000, -0.0489439700000000 ] - [ 0.0007942600000000, 0.0004707900000000, -0.0022268300000000 ] - [ -0.0017992600000000, 0.0009013200000000, 0.0008460800000000 ] - [ 0.0030540300000000, -0.0027826300000000, 0.0020299400000000 ] - [ -0.0061227800000000, -0.0034773000000000, -0.0090946800000000 ] - [ 0.0054543800000000, 0.0002788500000000, -0.0076819000000000 ] - [ -0.0003566500000000, -0.0002768300000000, 0.0012961100000000 ] - [ -0.0003475600000000, -0.0002821800000000, 0.0012953100000000 ] - [ 0.0014519500000000, 0.0077715800000000, 0.0096544400000000 ] - [ 0.0004665500000000, -0.0009450900000000, -0.0021829600000000 ] - [ 0.0000537900000000, 0.0003061200000000, 0.0006911600000000 ] - [ 0.0000769400000000, 0.0003175200000000, 0.0007232400000000 ] - [ 0.0085047900000000, -0.0027715300000000, -0.0014000800000000 ] - [ -0.0060368400000000, 0.0009777700000000, -0.0028699000000000 ] - [ 0.0064400900000000, 0.0061247900000000, 0.0003344500000000 ] - [ -0.0033632900000000, -0.0018142200000000, 0.0003493200000000 ] - [ -0.0019806000000000, 0.0005318300000000, -0.0050692500000000 ] - [ 0.0116579700000000, 0.0085581200000000, -0.0011639900000000 ] - [ -0.0014049600000000, -0.0006613500000000, 0.0013404800000000 ] - [ 0.0012993400000000, 0.0003675100000000, 0.0001723200000000 ] - [ -0.0006431200000000, -0.0004295300000000, -0.0009331300000000 ] - [ 0.0035623600000000, 0.0035494100000000, 0.0036058200000000 ] - [ -0.0001698600000000, 0.0001943700000000, 0.0008216200000000 ] - [ -0.0001631500000000, 0.0001947900000000, 0.0008141300000000 ] - [ -0.0001582600000000, -0.0003517300000000, 0.0012320700000000 ] - [ 0.0001706100000000, -0.0002034300000000, -0.0002297600000000 ] - [ -0.0000790800000000, 0.0003117200000000, 0.0006929800000000 ] - [ -0.0000540100000000, 0.0003072900000000, 0.0007221500000000 ] - [ 0.0003248700000000, -0.0001005300000000, 0.0007261400000000 ] - [ 0.0003243700000000, -0.0001004400000000, 0.0007241800000000 ] - [ 0.0000635300000000, -0.0000104400000000, 0.0004932700000000 ] - [ 0.0000672600000000, -0.0000059100000000, 0.0004950500000000 ] - [ 0.0011726900000000, 0.0001097400000000, 0.0008140000000000 ] - [ -0.0009350400000000, -0.0005126400000000, 0.0009595900000000 ] - [ -0.0000573200000000, -0.0000154500000000, 0.0004937100000000 ] - [ -0.0000536200000000, -0.0000195300000000, 0.0004932400000000 ] - [ 0.0001885500000000, 0.0001430300000000, 0.0009020900000000 ] - [ 0.0001683800000000, 0.0001432200000000, 0.0008995700000000 ] - [ -0.0000612000000000, 0.0001867500000000, 0.0006549000000000 ] - [ -0.0000003600000000, 0.0001938100000000, 0.0006469300000000 ] - [ 0.0003454900000000, -0.0002813700000000, 0.0012890800000000 ] - [ 0.0003533600000000, -0.0002762400000000, 0.0012886600000000 ] - [ -0.0003355500000000, -0.0001108500000000, 0.0007271900000000 ] - [ -0.0003328400000000, -0.0001091000000000, 0.0007242700000000 ] - [ 0.0003803400000000, 0.0003130700000000, 0.0011024400000000 ] - [ 0.0003762300000000, 0.0003160500000000, 0.0011050300000000 ] - [ 0.0008245100000000, -0.0004218500000000, 0.0009404400000000 ] - [ -0.0008499900000000, -0.0002080300000000, 0.0004045000000000 ] - [ -0.0069204900000000, -0.0079242500000000, 0.0079865000000000 ] - [ 0.0003038300000000, -0.0004911500000000, -0.0013102600000000 ] - [ -0.0010100500000000, 0.0014647400000000, -0.0077637300000000 ] - [ 0.0023149400000000, -0.0009588800000000, -0.0029048000000000 ] - [ -0.0003739500000000, 0.0003157700000000, 0.0010987200000000 ] - [ -0.0003780200000000, 0.0003116300000000, 0.0010962000000000 ] - [ -0.0001679800000000, 0.0001424300000000, 0.0009023400000000 ] - [ -0.0001882900000000, 0.0001453500000000, 0.0008987600000000 ] - [ -0.0013725100000000, 0.0004402600000000, 0.0011973800000000 ] - [ 0.0009046400000000, -0.0005322800000000, -0.0005014800000000 ] - [ -0.0004781700000000, 0.0000120700000000, 0.0012692200000000 ] - [ 0.0001510000000000, -0.0002409100000000, -0.0001648600000000 ] - [ 0.0000036300000000, 0.0001955500000000, 0.0006560000000000 ] - [ 0.0000653100000000, 0.0001857700000000, 0.0006437800000000 ] - [ 0.0001643600000000, 0.0001911300000000, 0.0008221600000000 ] - [ 0.0001680400000000, 0.0001960900000000, 0.0008141200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0023589900000000, 0.0079227600000000, -0.0224263300000000 ] - [ 0.0068013400000000, -0.0006661500000000, -0.0091599600000000 ] - [ -0.0000279100000000, 0.0002703800000000, 0.0022566900000000 ] - [ -0.0000228900000000, 0.0002732100000000, 0.0022548200000000 ] - [ -0.0280360200000000, -0.0236556900000000, -0.0315808500000000 ] - [ -0.0008181600000000, 0.0005530400000000, -0.0100919800000000 ] - [ 0.0000274500000000, 0.0002761300000000, 0.0022571200000000 ] - [ 0.0000248700000000, 0.0002773400000000, 0.0022524400000000 ] - [ 0.0002936600000000, -0.0000308000000000, 0.0011804800000000 ] - [ 0.0002787800000000, -0.0000287500000000, 0.0011428100000000 ] - [ -0.0015004500000000, 0.0001733300000000, 0.0009459600000000 ] - [ 0.0025103700000000, -0.0000382100000000, 0.0010729200000000 ] - [ -0.0059034800000000, 0.0044204800000000, -0.0005883000000000 ] - [ 0.0045206900000000, 0.0011115700000000, -0.0029235300000000 ] - [ -0.0013747500000000, 0.0003769600000000, 0.0019063900000000 ] - [ -0.0001128500000000, -0.0005807000000000, 0.0003343000000000 ] - [ -0.0002700500000000, -0.0000144900000000, 0.0009581200000000 ] - [ -0.0001451600000000, -0.0000110100000000, 0.0010060200000000 ] - [ 0.0001249100000000, 0.0003735600000000, 0.0014243300000000 ] - [ 0.0001186800000000, 0.0003759100000000, 0.0014166600000000 ] - [ -0.0059798100000000, 0.0006706900000000, 0.0048407900000000 ] - [ 0.0021028300000000, -0.0002249700000000, -0.0000599800000000 ] - [ -0.0002719100000000, 0.0001798700000000, 0.0015585600000000 ] - [ -0.0002501500000000, 0.0001815900000000, 0.0015352700000000 ] - [ 0.0002399300000000, -0.0000158500000000, 0.0009099600000000 ] - [ 0.0001795100000000, -0.0000094000000000, 0.0010521800000000 ] - [ 0.0001718400000000, 0.0007573200000000, -0.0039467800000000 ] - [ 0.0111934000000000, -0.0026477200000000, 0.0053154000000000 ] - [ 0.0010398200000000, 0.0000146600000000, 0.0006827500000000 ] - [ -0.0004857200000000, -0.0001592700000000, 0.0014898900000000 ] - [ 0.0002836500000000, -0.0000436200000000, 0.0014508500000000 ] - [ -0.0007746900000000, 0.0001690900000000, 0.0005170700000000 ] - [ 0.0021891600000000, 0.0007625000000000, 0.0036134500000000 ] - [ -0.0010970600000000, -0.0006409200000000, -0.0009205800000000 ] - [ -0.0003037900000000, -0.0000251700000000, 0.0011717900000000 ] - [ -0.0002686000000000, -0.0000256100000000, 0.0011469400000000 ] - [ 0.0002459100000000, 0.0001814800000000, 0.0015410400000000 ] - [ 0.0002774200000000, 0.0001815800000000, 0.0015541400000000 ] - [ -0.0001158500000000, 0.0003734100000000, 0.0014200100000000 ] - [ -0.0001281400000000, 0.0003736700000000, 0.0014229000000000 ] - [ -0.0000056600000000, -0.0000483400000000, -0.0006992900000000 ] - [ -0.0000976400000000, -0.0000144500000000, -0.0005552800000000 ] - [ 0.0000239500000000, 0.0000197200000000, -0.0006408300000000 ] - [ -0.0000941000000000, 0.0000141400000000, -0.0006323400000000 ] - [ 0.0002115800000000, -0.0000290800000000, -0.0006037300000000 ] - [ -0.0001456900000000, -0.0000373400000000, -0.0006929000000000 ] - [ -0.0000146600000000, 0.0000304100000000, -0.0006430100000000 ] - [ 0.0000912500000000, 0.0000189400000000, -0.0006171500000000 ] - [ 0.0289208300000000, 0.0187722500000000, 0.0494761400000000 ] - [ -0.0005384800000000, -0.0003703300000000, 0.0024744500000000 ] - [ 0.0016830800000000, -0.0012491700000000, -0.0006053300000000 ] - [ -0.0032534600000000, 0.0025060000000000, -0.0018132300000000 ] - [ 0.0061118500000000, 0.0034140000000000, 0.0089887500000000 ] - [ -0.0055672300000000, -0.0003076600000000, 0.0075914100000000 ] - [ 0.0003842600000000, 0.0003135400000000, -0.0011089400000000 ] - [ 0.0003729000000000, 0.0003183100000000, -0.0011042000000000 ] - [ -0.0013429000000000, -0.0076619600000000, -0.0093753700000000 ] - [ -0.0004436500000000, 0.0009173500000000, 0.0023888100000000 ] - [ 0.0001800800000000, 0.0001987200000000, -0.0008102100000000 ] - [ 0.0001542700000000, 0.0001872500000000, -0.0008423900000000 ] - [ -0.0088309000000000, 0.0029219600000000, 0.0011167400000000 ] - [ 0.0057950200000000, -0.0008790700000000, 0.0026375700000000 ] - [ -0.0063024400000000, -0.0061565900000000, -0.0005855100000000 ] - [ 0.0037255500000000, 0.0020117200000000, -0.0005699200000000 ] - [ 0.0020299600000000, -0.0005748700000000, 0.0049359700000000 ] - [ -0.0116862500000000, -0.0086563600000000, 0.0010753200000000 ] - [ 0.0016572100000000, 0.0001622600000000, -0.0012299200000000 ] - [ -0.0010780600000000, -0.0008730400000000, -0.0000445800000000 ] - [ 0.0007968900000000, 0.0001004100000000, 0.0012017900000000 ] - [ -0.0034607900000000, -0.0039458700000000, -0.0034012800000000 ] - [ -0.0000636900000000, 0.0003105200000000, -0.0007137800000000 ] - [ -0.0000670300000000, 0.0003108400000000, -0.0007051300000000 ] - [ 0.0003055100000000, 0.0000156200000000, -0.0014923800000000 ] - [ -0.0000259300000000, -0.0001314400000000, -0.0000312100000000 ] - [ -0.0001518500000000, 0.0001935200000000, -0.0008130700000000 ] - [ -0.0001807400000000, 0.0001969300000000, -0.0008420100000000 ] - [ -0.0000658400000000, -0.0000078400000000, -0.0004963200000000 ] - [ -0.0000685500000000, -0.0000069900000000, -0.0004981100000000 ] - [ -0.0003255400000000, -0.0001018800000000, -0.0007289100000000 ] - [ -0.0003246800000000, -0.0000985600000000, -0.0007298000000000 ] - [ -0.0009333400000000, -0.0006101700000000, -0.0009300000000000 ] - [ 0.0011669400000000, 0.0000087400000000, -0.0010816600000000 ] - [ 0.0003363700000000, -0.0001098300000000, -0.0007296200000000 ] - [ 0.0003377900000000, -0.0001141100000000, -0.0007301800000000 ] - [ -0.0000431200000000, 0.0001876600000000, -0.0006526300000000 ] - [ -0.0000244700000000, 0.0001878800000000, -0.0006517900000000 ] - [ 0.0002078900000000, 0.0001478000000000, -0.0009139300000000 ] - [ 0.0001461400000000, 0.0001405300000000, -0.0009064600000000 ] - [ -0.0003771300000000, 0.0003212300000000, -0.0011160000000000 ] - [ -0.0003857100000000, 0.0003144500000000, -0.0011130900000000 ] - [ 0.0000554000000000, -0.0000189900000000, -0.0004960000000000 ] - [ 0.0000551000000000, -0.0000190600000000, -0.0004968300000000 ] - [ -0.0003526700000000, -0.0002797700000000, -0.0012954600000000 ] - [ -0.0003508200000000, -0.0002798800000000, -0.0012941300000000 ] - [ -0.0010542700000000, -0.0000817400000000, -0.0010607400000000 ] - [ 0.0006176800000000, -0.0002977300000000, -0.0005258700000000 ] - [ 0.0068076900000000, 0.0077525500000000, -0.0076216100000000 ] - [ -0.0003444600000000, 0.0004532700000000, 0.0014884200000000 ] - [ 0.0007811100000000, -0.0013917400000000, 0.0080182800000000 ] - [ -0.0026220600000000, 0.0011024700000000, 0.0031652300000000 ] - [ 0.0003543900000000, -0.0002814800000000, -0.0013014900000000 ] - [ 0.0003545600000000, -0.0002812600000000, -0.0013020300000000 ] - [ 0.0000241000000000, 0.0001911900000000, -0.0006544500000000 ] - [ 0.0000432000000000, 0.0001907700000000, -0.0006502200000000 ] - [ 0.0011449800000000, -0.0009543400000000, -0.0011105800000000 ] - [ -0.0011510300000000, 0.0000301500000000, 0.0006328500000000 ] - [ 0.0003323200000000, -0.0003458300000000, -0.0015266200000000 ] - [ -0.0003016700000000, -0.0000834800000000, -0.0001001200000000 ] - [ -0.0001484200000000, 0.0001345700000000, -0.0009156200000000 ] - [ -0.0002119100000000, 0.0001469100000000, -0.0009037900000000 ] - [ 0.0000690000000000, 0.0003132900000000, -0.0007140000000000 ] - [ 0.0000622200000000, 0.0003102000000000, -0.0007044800000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0051269300000000, 0.0009120000000000, 0.0021058900000000 ] - [ 0.0022564400000000, 0.0006327400000000, -0.0052921100000000 ] - [ -0.0000688100000000, 0.0002906000000000, 0.0003173400000000 ] - [ 0.0000485600000000, 0.0002605700000000, 0.0004291100000000 ] - [ 0.0034383700000000, 0.0008820800000000, 0.0042925700000000 ] - [ -0.0039387000000000, -0.0015544900000000, -0.0020322200000000 ] - [ 0.0000555400000000, 0.0002944700000000, 0.0003598700000000 ] - [ -0.0000620400000000, 0.0002673400000000, 0.0004633300000000 ] - [ 0.0002597600000000, -0.0000223800000000, 0.0002791800000000 ] - [ 0.0002516600000000, -0.0000234200000000, 0.0002756100000000 ] - [ 0.0200057700000000, 0.0039959600000000, 0.0114002800000000 ] - [ -0.0083633200000000, 0.0020723700000000, 0.0017801800000000 ] - [ 0.0262341200000000, -0.0092517000000000, -0.0101405100000000 ] - [ -0.0075251400000000, -0.0013007000000000, -0.0044877400000000 ] - [ -0.0089701500000000, 0.0028415300000000, -0.0029183300000000 ] - [ 0.0257786000000000, 0.0138970500000000, -0.0230850300000000 ] - [ 0.0012571600000000, -0.0001429800000000, -0.0017926400000000 ] - [ -0.0018010600000000, 0.0000552200000000, 0.0007396900000000 ] - [ -0.0000274600000000, 0.0002884400000000, 0.0001938200000000 ] - [ -0.0000454500000000, 0.0003008100000000, 0.0001977100000000 ] - [ -0.0008121000000000, -0.0002829700000000, 0.0008463600000000 ] - [ 0.0004902500000000, -0.0004494200000000, -0.0001907600000000 ] - [ -0.0003400800000000, 0.0002903500000000, 0.0000532100000000 ] - [ 0.0001653600000000, 0.0002190500000000, 0.0005964800000000 ] - [ 0.0017611200000000, 0.0000276500000000, 0.0020733000000000 ] - [ -0.0014368400000000, -0.0001229900000000, -0.0005863000000000 ] - [ 0.0104552000000000, 0.0083586200000000, -0.0058778700000000 ] - [ -0.0068103900000000, -0.0018389600000000, 0.0023077300000000 ] - [ 0.0003969300000000, 0.0000369500000000, -0.0000309800000000 ] - [ 0.0000831400000000, 0.0000010800000000, 0.0001659200000000 ] - [ -0.0000818800000000, -0.0000013200000000, 0.0002100000000000 ] - [ -0.0003992900000000, 0.0000431100000000, 0.0000216900000000 ] - [ 0.0007616400000000, -0.0000341800000000, 0.0008455800000000 ] - [ -0.0005907700000000, -0.0002646800000000, -0.0001220200000000 ] - [ -0.0002610600000000, -0.0000198300000000, 0.0002826500000000 ] - [ -0.0002490400000000, -0.0000213300000000, 0.0002765600000000 ] - [ 0.0003709700000000, 0.0003010100000000, 0.0000337800000000 ] - [ -0.0001460500000000, 0.0002496300000000, 0.0005959900000000 ] - [ 0.0000464800000000, 0.0002973300000000, 0.0001992700000000 ] - [ 0.0000258100000000, 0.0002855000000000, 0.0001928400000000 ] - [ 0.0025827000000000, -0.0001761900000000, 0.0015319900000000 ] - [ -0.0009482700000000, 0.0012994900000000, -0.0028465400000000 ] - [ 0.0000079000000000, 0.0000032700000000, -0.0001130100000000 ] - [ -0.0000218700000000, 0.0000032700000000, -0.0001091800000000 ] - [ -0.0010762200000000, 0.0014236700000000, 0.0029773100000000 ] - [ 0.0034724300000000, -0.0002946100000000, -0.0019029000000000 ] - [ -0.0000076300000000, 0.0000043600000000, -0.0001122300000000 ] - [ 0.0000233100000000, 0.0000038900000000, -0.0001093000000000 ] - [ 0.0006912600000000, -0.0008561200000000, -0.0016215800000000 ] - [ 0.0026291800000000, -0.0000889200000000, 0.0032677700000000 ] - [ -0.1035912200000000, -0.0273328800000000, 0.0322409300000000 ] - [ 0.0074068400000000, 0.0012793900000000, 0.0000157700000000 ] - [ -0.0024714800000000, 0.0034621500000000, -0.0100125100000000 ] - [ 0.0025636900000000, -0.0012497800000000, 0.0003007100000000 ] - [ 0.0000312900000000, 0.0000491900000000, -0.0000734700000000 ] - [ 0.0001121000000000, 0.0001014800000000, -0.0002385300000000 ] - [ -0.0000098000000000, -0.0007341400000000, -0.0016205400000000 ] - [ 0.0001237600000000, 0.0001486200000000, 0.0006058600000000 ] - [ -0.0008616400000000, -0.0001549200000000, -0.0002161000000000 ] - [ 0.0007655500000000, 0.0004521000000000, -0.0001755900000000 ] - [ -0.0022881700000000, 0.0014554800000000, -0.0003528300000000 ] - [ 0.0018172900000000, -0.0010118000000000, -0.0000202700000000 ] - [ -0.0020212000000000, -0.0014250700000000, 0.0002841000000000 ] - [ 0.0021695400000000, 0.0011583400000000, -0.0003442700000000 ] - [ -0.0061917600000000, -0.0038878400000000, 0.0060626200000000 ] - [ 0.0034444800000000, 0.0014511700000000, 0.0002829100000000 ] - [ 0.0220782900000000, -0.0012988800000000, 0.0009579300000000 ] - [ 0.0206383400000000, -0.0024437100000000, 0.0006146200000000 ] - [ -0.0122074400000000, 0.0026294200000000, 0.0002849200000000 ] - [ 0.0038390700000000, -0.0011973400000000, 0.0008066800000000 ] - [ -0.0001087800000000, 0.0002633800000000, -0.0000793500000000 ] - [ -0.0001083300000000, 0.0002618000000000, -0.0000784100000000 ] - [ 0.0001167800000000, -0.0002119600000000, -0.0004736400000000 ] - [ 0.0001331000000000, -0.0001419300000000, -0.0000867400000000 ] - [ -0.0011840800000000, 0.0007268100000000, -0.0001492000000000 ] - [ 0.0005452700000000, 0.0000154900000000, -0.0001964700000000 ] - [ 0.0000971600000000, -0.0000474800000000, 0.0000231700000000 ] - [ 0.0001008300000000, -0.0000463400000000, 0.0000016100000000 ] - [ -0.0002218300000000, -0.0000684800000000, -0.0002543400000000 ] - [ -0.0001040100000000, -0.0000610200000000, -0.0001924200000000 ] - [ -0.0001233700000000, -0.0002934700000000, -0.0001617100000000 ] - [ 0.0003343900000000, -0.0001830900000000, -0.0002348300000000 ] - [ 0.0001244900000000, -0.0000720700000000, -0.0001951400000000 ] - [ 0.0002433100000000, -0.0000799500000000, -0.0002582600000000 ] - [ 0.0000502700000000, 0.0001700300000000, -0.0000104600000000 ] - [ 0.0000596000000000, 0.0001704000000000, -0.0000089400000000 ] - [ 0.0003979300000000, 0.0003879600000000, 0.0001438600000000 ] - [ 0.0003683200000000, 0.0002521500000000, -0.0006450000000000 ] - [ -0.0000475300000000, 0.0000438800000000, -0.0000026400000000 ] - [ -0.0001262700000000, 0.0000940700000000, -0.0001736300000000 ] - [ -0.0001113700000000, -0.0000630300000000, 0.0000226800000000 ] - [ -0.0001134500000000, -0.0000607100000000, 0.0000015800000000 ] - [ -0.0000531900000000, -0.0000354800000000, -0.0003112300000000 ] - [ -0.0000396400000000, -0.0000235100000000, -0.0002759100000000 ] - [ -0.0003610600000000, -0.0001984900000000, -0.0002143900000000 ] - [ 0.0000803900000000, -0.0002991500000000, -0.0001422800000000 ] - [ -0.0000003200000000, -0.0001747400000000, -0.0007701300000000 ] - [ -0.0001917000000000, 0.0001802000000000, 0.0012521700000000 ] - [ 0.0032971400000000, 0.0004643200000000, -0.0034063000000000 ] - [ 0.0001450700000000, 0.0001674400000000, 0.0008408600000000 ] - [ 0.0000432500000000, -0.0000297000000000, -0.0002884600000000 ] - [ 0.0000564600000000, -0.0000427100000000, -0.0003236800000000 ] - [ -0.0000584100000000, 0.0001706600000000, -0.0000095500000000 ] - [ -0.0000488700000000, 0.0001713600000000, -0.0000114200000000 ] - [ 0.0034276700000000, 0.0011451800000000, -0.0030229300000000 ] - [ 0.0031924100000000, 0.0026071000000000, 0.0055350200000000 ] - [ -0.0000587700000000, -0.0001847600000000, -0.0004391500000000 ] - [ -0.0000597100000000, -0.0001227200000000, -0.0000653400000000 ] - [ 0.0001521800000000, 0.0000705100000000, 0.0001104000000000 ] - [ 0.0001535900000000, 0.0000114300000000, -0.0006377100000000 ] - [ 0.0001070400000000, 0.0002623000000000, -0.0000786200000000 ] - [ 0.0001074200000000, 0.0002611700000000, -0.0000777500000000 ]- atom: 51 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0050895900000000, -0.0014501700000000, -0.0021147800000000 ] - [ -0.0022411600000000, -0.0011907600000000, 0.0053033700000000 ] - [ 0.0000654600000000, 0.0002532500000000, -0.0003102700000000 ] - [ -0.0000429900000000, 0.0002886300000000, -0.0004245000000000 ] - [ -0.0034387600000000, -0.0014470500000000, -0.0042580500000000 ] - [ 0.0039559800000000, 0.0010047100000000, 0.0020170900000000 ] - [ -0.0000481300000000, 0.0002636200000000, -0.0003518500000000 ] - [ 0.0000530300000000, 0.0002950200000000, -0.0004637800000000 ] - [ 0.0002360600000000, -0.0000222000000000, -0.0000951100000000 ] - [ 0.0002441000000000, -0.0000222300000000, -0.0000876200000000 ] - [ -0.0201715600000000, -0.0046652900000000, -0.0117032400000000 ] - [ 0.0088520800000000, -0.0019967800000000, -0.0015906200000000 ] - [ -0.0269233600000000, 0.0092095600000000, 0.0107907100000000 ] - [ 0.0073725700000000, 0.0007273000000000, 0.0043293500000000 ] - [ 0.0084772500000000, -0.0028485200000000, 0.0031083600000000 ] - [ -0.0253499500000000, -0.0128328600000000, 0.0224544000000000 ] - [ -0.0017463400000000, 0.0001014600000000, 0.0016083200000000 ] - [ 0.0012984400000000, -0.0000955500000000, -0.0009243700000000 ] - [ -0.0001113300000000, 0.0002661900000000, -0.0003104500000000 ] - [ -0.0000938700000000, 0.0002574200000000, -0.0003181900000000 ] - [ 0.0006727200000000, -0.0002772300000000, -0.0007166800000000 ] - [ -0.0006309700000000, -0.0001014800000000, 0.0003150200000000 ] - [ 0.0001994300000000, 0.0002646600000000, 0.0000733200000000 ] - [ -0.0003030200000000, 0.0003372800000000, -0.0004670200000000 ] - [ -0.0012656100000000, -0.0000699200000000, -0.0022507100000000 ] - [ 0.0019315800000000, 0.0000794700000000, 0.0004023500000000 ] - [ -0.0101053500000000, -0.0090429100000000, 0.0059151500000000 ] - [ 0.0069439500000000, 0.0013215600000000, -0.0024586500000000 ] - [ 0.0000953700000000, 0.0000033100000000, -0.0001469900000000 ] - [ 0.0004167800000000, 0.0000418200000000, -0.0003483800000000 ] - [ -0.0004186400000000, 0.0000433100000000, -0.0003917800000000 ] - [ -0.0000929000000000, 0.0000000900000000, -0.0002000600000000 ] - [ -0.0006271900000000, -0.0005190000000000, -0.0007131000000000 ] - [ 0.0007347600000000, -0.0002902300000000, 0.0002446000000000 ] - [ -0.0002386000000000, -0.0000186700000000, -0.0000968900000000 ] - [ -0.0002431500000000, -0.0000184500000000, -0.0000904100000000 ] - [ -0.0002274700000000, 0.0002526300000000, 0.0000939800000000 ] - [ 0.0002826900000000, 0.0003047900000000, -0.0004673700000000 ] - [ 0.0000946200000000, 0.0002564100000000, -0.0003150000000000 ] - [ 0.0001094000000000, 0.0002659200000000, -0.0003101700000000 ] - [ -0.0025687700000000, 0.0001792100000000, -0.0015252400000000 ] - [ 0.0009523100000000, -0.0012998700000000, 0.0028268400000000 ] - [ -0.0000080000000000, -0.0000029700000000, 0.0001113800000000 ] - [ 0.0000216900000000, -0.0000030600000000, 0.0001075300000000 ] - [ 0.0010724600000000, -0.0014218800000000, -0.0029842000000000 ] - [ -0.0034841500000000, 0.0002903200000000, 0.0019073200000000 ] - [ 0.0000075300000000, -0.0000042100000000, 0.0001110200000000 ] - [ -0.0000233400000000, -0.0000041600000000, 0.0001069200000000 ] - [ -0.0004055300000000, 0.0009801900000000, 0.0018598900000000 ] - [ -0.0023737500000000, 0.0002037700000000, -0.0030414600000000 ] - [ 0.1035793500000000, 0.0263366500000000, -0.0315955300000000 ] - [ -0.0075498300000000, -0.0016117300000000, 0.0002384400000000 ] - [ 0.0025176500000000, -0.0034943400000000, 0.0098136100000000 ] - [ -0.0025953200000000, 0.0012075800000000, -0.0004645000000000 ] - [ -0.0000014400000000, -0.0000113400000000, 0.0002551800000000 ] - [ -0.0000840500000000, -0.0000647700000000, 0.0004251200000000 ] - [ 0.0000451800000000, 0.0006937800000000, 0.0017898200000000 ] - [ -0.0000952600000000, -0.0001845100000000, -0.0004191700000000 ] - [ 0.0010926500000000, 0.0006579300000000, 0.0001004600000000 ] - [ -0.0005345700000000, 0.0000529800000000, 0.0000624600000000 ] - [ 0.0020084800000000, -0.0013292400000000, 0.0001125100000000 ] - [ -0.0020861100000000, 0.0011274300000000, -0.0002144100000000 ] - [ 0.0022968400000000, 0.0015480800000000, -0.0005245900000000 ] - [ -0.0018857100000000, -0.0010287700000000, 0.0001096100000000 ] - [ 0.0062139600000000, 0.0038367000000000, -0.0062453700000000 ] - [ -0.0033982900000000, -0.0015041900000000, -0.0004347300000000 ] - [ -0.0223712800000000, 0.0008116200000000, -0.0008330400000000 ] - [ -0.0199815300000000, 0.0019058100000000, -0.0004959900000000 ] - [ 0.0123218100000000, -0.0029640700000000, -0.0000083300000000 ] - [ -0.0036905200000000, 0.0008661000000000, -0.0005404500000000 ] - [ -0.0001250900000000, 0.0002412000000000, 0.0001890600000000 ] - [ -0.0001225200000000, 0.0002429000000000, 0.0001894300000000 ] - [ 0.0000280100000000, -0.0001254000000000, 0.0002180700000000 ] - [ 0.0000121400000000, -0.0001926800000000, -0.0001684300000000 ] - [ 0.0009512500000000, -0.0002214700000000, 0.0000325200000000 ] - [ -0.0007788900000000, 0.0004874700000000, 0.0000817700000000 ] - [ 0.0001696100000000, -0.0000658300000000, 0.0002134000000000 ] - [ 0.0001636500000000, -0.0000670100000000, 0.0002313400000000 ] - [ -0.0000482900000000, -0.0000502800000000, 0.0000168000000000 ] - [ -0.0001593800000000, -0.0000479800000000, -0.0000443900000000 ] - [ 0.0003545000000000, -0.0002101500000000, 0.0000471600000000 ] - [ -0.0001009700000000, -0.0003208200000000, 0.0001196800000000 ] - [ 0.0001574300000000, -0.0000553400000000, -0.0000416600000000 ] - [ 0.0000457200000000, -0.0000573700000000, 0.0000200200000000 ] - [ 0.0000949900000000, 0.0001614200000000, 0.0002614600000000 ] - [ 0.0000840000000000, 0.0001616900000000, 0.0002584100000000 ] - [ -0.0002536900000000, -0.0000525300000000, -0.0003974100000000 ] - [ -0.0002205900000000, 0.0000847600000000, 0.0003898000000000 ] - [ 0.0000121800000000, -0.0000028400000000, 0.0001712300000000 ] - [ 0.0000913600000000, -0.0000545300000000, 0.0003463500000000 ] - [ -0.0001747000000000, -0.0000696500000000, 0.0002143000000000 ] - [ -0.0001705000000000, -0.0000711900000000, 0.0002316300000000 ] - [ 0.0000866400000000, 0.0000725800000000, 0.0001313200000000 ] - [ 0.0000709300000000, 0.0000638000000000, 0.0001000800000000 ] - [ 0.0001266600000000, -0.0003061000000000, 0.0000985000000000 ] - [ -0.0003113300000000, -0.0002044400000000, 0.0000263700000000 ] - [ -0.0000335000000000, 0.0001368300000000, 0.0009453900000000 ] - [ 0.0001589400000000, -0.0002209300000000, -0.0010789900000000 ] - [ -0.0035501900000000, -0.0003421600000000, 0.0036162000000000 ] - [ -0.0004371900000000, -0.0000388600000000, -0.0006015900000000 ] - [ -0.0000691800000000, 0.0000675800000000, 0.0001005500000000 ] - [ -0.0000854100000000, 0.0000761900000000, 0.0001316700000000 ] - [ -0.0000854000000000, 0.0001641000000000, 0.0002588200000000 ] - [ -0.0000965200000000, 0.0001650300000000, 0.0002614000000000 ] - [ -0.0036149000000000, -0.0016280500000000, 0.0031271400000000 ] - [ -0.0034512200000000, -0.0031300800000000, -0.0054286000000000 ] - [ -0.0000848500000000, -0.0001495300000000, 0.0001841400000000 ] - [ -0.0000861000000000, -0.0002076700000000, -0.0001907000000000 ] - [ -0.0002979800000000, 0.0002626100000000, -0.0003637000000000 ] - [ -0.0002969100000000, 0.0003207800000000, 0.0003825200000000 ] - [ 0.0001260200000000, 0.0002416900000000, 0.0001887500000000 ] - [ 0.0001232800000000, 0.0002440600000000, 0.0001891300000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033904600000000, -0.0019695800000000, -0.0009616100000000 ] - [ -0.0017778600000000, -0.0004945400000000, -0.0008863700000000 ] - [ -0.0000104700000000, 0.0002716200000000, -0.0001059400000000 ] - [ 0.0000067700000000, 0.0002697800000000, -0.0000996700000000 ] - [ -0.0030987400000000, 0.0004587400000000, 0.0015967900000000 ] - [ 0.0023068000000000, 0.0010757600000000, 0.0008761500000000 ] - [ -0.0000014900000000, 0.0002795000000000, -0.0000642100000000 ] - [ -0.0000149600000000, 0.0002783100000000, -0.0000639300000000 ] - [ 0.0002471000000000, -0.0000220400000000, 0.0000515400000000 ] - [ 0.0002462100000000, -0.0000234700000000, 0.0000526100000000 ] - [ 0.0075978600000000, 0.0086995500000000, 0.0151370700000000 ] - [ -0.0019754500000000, -0.0000088700000000, 0.0003327600000000 ] - [ -0.0079592100000000, 0.0173358100000000, 0.0123919300000000 ] - [ -0.0007352900000000, 0.0000341500000000, -0.0004473100000000 ] - [ -0.0027092600000000, -0.0000339100000000, -0.0005449800000000 ] - [ 0.0177605700000000, 0.0193883300000000, -0.0196511300000000 ] - [ 0.0001615800000000, -0.0002591500000000, -0.0013974500000000 ] - [ -0.0007608500000000, 0.0000698500000000, -0.0001403900000000 ] - [ -0.0000765400000000, 0.0002749400000000, -0.0001136900000000 ] - [ -0.0000776900000000, 0.0002763700000000, -0.0001158700000000 ] - [ 0.0000319100000000, -0.0003474400000000, -0.0002320200000000 ] - [ -0.0002081700000000, -0.0002153900000000, 0.0001866400000000 ] - [ -0.0001242500000000, 0.0002497900000000, -0.0000514600000000 ] - [ 0.0000123700000000, 0.0002451900000000, 0.0000326300000000 ] - [ 0.0008143000000000, -0.0001307000000000, 0.0009514700000000 ] - [ -0.0004210500000000, -0.0000468400000000, -0.0000453200000000 ] - [ 0.0036242200000000, -0.0079885300000000, 0.0030991800000000 ] - [ -0.0011058600000000, -0.0000538700000000, 0.0015335200000000 ] - [ 0.0002352800000000, -0.0000061100000000, -0.0000910300000000 ] - [ 0.0002617900000000, 0.0000308700000000, -0.0001753000000000 ] - [ -0.0002811900000000, 0.0000337500000000, -0.0001402200000000 ] - [ -0.0002145100000000, 0.0000267600000000, -0.0001151200000000 ] - [ -0.0001908900000000, -0.0002075800000000, -0.0001861900000000 ] - [ 0.0003113800000000, -0.0002903600000000, 0.0000632400000000 ] - [ -0.0002473400000000, -0.0000201800000000, 0.0000521400000000 ] - [ -0.0002441300000000, -0.0000198800000000, 0.0000521100000000 ] - [ 0.0000799700000000, 0.0003326200000000, -0.0000595900000000 ] - [ 0.0000405200000000, 0.0003101300000000, 0.0000915300000000 ] - [ 0.0000769700000000, 0.0002732300000000, -0.0001142000000000 ] - [ 0.0000727300000000, 0.0002705100000000, -0.0001137400000000 ] - [ 0.0026334200000000, -0.0001702100000000, 0.0015761300000000 ] - [ -0.0011885000000000, 0.0013677400000000, 0.0001448600000000 ] - [ 0.0000000700000000, -0.0000017200000000, 0.0000215800000000 ] - [ 0.0000036600000000, -0.0000006000000000, 0.0000239000000000 ] - [ -0.0013306600000000, 0.0021662200000000, 0.0000707200000000 ] - [ 0.0028743100000000, -0.0001318700000000, -0.0017159300000000 ] - [ 0.0000012300000000, -0.0000013200000000, 0.0000228700000000 ] - [ -0.0000028300000000, -0.0000005300000000, 0.0000230700000000 ] - [ 0.0004866300000000, 0.0014847400000000, 0.0011848300000000 ] - [ -0.0018486000000000, 0.0006560100000000, -0.0025149400000000 ] - [ -0.0268819000000000, -0.0875576900000000, -0.0034774600000000 ] - [ 0.0013725200000000, 0.0005459400000000, 0.0000407600000000 ] - [ 0.0030044700000000, 0.0014022300000000, -0.0119464000000000 ] - [ 0.0003420500000000, -0.0003467300000000, -0.0000341300000000 ] - [ 0.0000146000000000, -0.0000125700000000, 0.0000977400000000 ] - [ 0.0000065000000000, 0.0000070700000000, 0.0000943300000000 ] - [ 0.0003963400000000, -0.0006863100000000, -0.0002423000000000 ] - [ 0.0000207500000000, -0.0001756500000000, -0.0001121200000000 ] - [ -0.0002099300000000, 0.0000175100000000, -0.0000013900000000 ] - [ 0.0003054000000000, 0.0001334100000000, -0.0000227100000000 ] - [ -0.0000295200000000, 0.0003388500000000, 0.0000658000000000 ] - [ -0.0011957000000000, 0.0006163700000000, -0.0000815200000000 ] - [ 0.0003984300000000, -0.0000092600000000, -0.0002974400000000 ] - [ -0.0010199200000000, -0.0004903300000000, -0.0000398900000000 ] - [ 0.0034726700000000, 0.0062556800000000, 0.0033479800000000 ] - [ -0.0000981000000000, 0.0003886000000000, -0.0008088300000000 ] - [ 0.0027194000000000, -0.0058671600000000, 0.0001359200000000 ] - [ 0.0009400200000000, -0.0049849300000000, -0.0004988600000000 ] - [ -0.0027211000000000, 0.0405228400000000, 0.0008794200000000 ] - [ 0.0011041400000000, -0.0004644600000000, 0.0000634800000000 ] - [ -0.0001187100000000, 0.0002502100000000, 0.0000835000000000 ] - [ -0.0001176000000000, 0.0002504600000000, 0.0000841600000000 ] - [ 0.0001159900000000, -0.0001750200000000, -0.0001054400000000 ] - [ 0.0000480400000000, -0.0001844900000000, -0.0001152900000000 ] - [ -0.0005229600000000, 0.0006404300000000, 0.0000359100000000 ] - [ 0.0000959900000000, 0.0003371300000000, -0.0000597600000000 ] - [ 0.0001359100000000, -0.0000536300000000, 0.0001423300000000 ] - [ 0.0001351200000000, -0.0000537400000000, 0.0001384200000000 ] - [ -0.0001281500000000, -0.0000485900000000, -0.0000982400000000 ] - [ -0.0001120200000000, -0.0000482400000000, -0.0000909900000000 ] - [ 0.0001440300000000, -0.0002599000000000, -0.0000801600000000 ] - [ 0.0000719500000000, -0.0002584100000000, -0.0000115900000000 ] - [ 0.0001282700000000, -0.0000681500000000, -0.0000873200000000 ] - [ 0.0001472400000000, -0.0000703100000000, -0.0000994900000000 ] - [ 0.0000770200000000, 0.0001652300000000, 0.0001551900000000 ] - [ 0.0000764400000000, 0.0001658300000000, 0.0001543000000000 ] - [ 0.0002930200000000, 0.0005322400000000, -0.0000387500000000 ] - [ 0.0001567000000000, 0.0003936800000000, -0.0001780000000000 ] - [ 0.0000263000000000, 0.0000227000000000, 0.0001727900000000 ] - [ -0.0000049600000000, 0.0000207900000000, 0.0001594300000000 ] - [ -0.0001530900000000, -0.0000722100000000, 0.0001409000000000 ] - [ -0.0001531600000000, -0.0000711600000000, 0.0001382000000000 ] - [ 0.0000305300000000, 0.0000318800000000, -0.0000434500000000 ] - [ 0.0000299100000000, 0.0000340500000000, -0.0000383800000000 ] - [ -0.0000720000000000, -0.0002687900000000, 0.0000043000000000 ] - [ -0.0001626800000000, -0.0002440100000000, -0.0000240700000000 ] - [ 0.0001156500000000, 0.0001545300000000, 0.0005648300000000 ] - [ 0.0001488700000000, 0.0002276000000000, -0.0001286100000000 ] - [ -0.0032187600000000, -0.0010189400000000, 0.0038659900000000 ] - [ 0.0002080300000000, -0.0004841000000000, -0.0001485700000000 ] - [ -0.0000241400000000, 0.0000264100000000, -0.0000511900000000 ] - [ -0.0000265800000000, 0.0000246300000000, -0.0000557100000000 ] - [ -0.0000756200000000, 0.0001669400000000, 0.0001539300000000 ] - [ -0.0000762900000000, 0.0001673800000000, 0.0001540300000000 ] - [ 0.0028717100000000, 0.0033049200000000, -0.0072227300000000 ] - [ 0.0010761200000000, 0.0030286400000000, 0.0061144100000000 ] - [ -0.0000296100000000, -0.0001712800000000, -0.0000582900000000 ] - [ -0.0000905500000000, -0.0001696400000000, -0.0001367100000000 ] - [ 0.0000818300000000, -0.0000379300000000, 0.0000075000000000 ] - [ 0.0000233800000000, -0.0000367300000000, -0.0001504100000000 ] - [ 0.0001186200000000, 0.0002499100000000, 0.0000841100000000 ] - [ 0.0001167900000000, 0.0002507000000000, 0.0000848600000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034051000000000, 0.0014134100000000, 0.0009839700000000 ] - [ 0.0017896500000000, -0.0000570600000000, 0.0008895200000000 ] - [ 0.0000077000000000, 0.0002716500000000, 0.0001103100000000 ] - [ -0.0000008900000000, 0.0002804000000000, 0.0001017600000000 ] - [ 0.0031142800000000, -0.0010073000000000, -0.0015772100000000 ] - [ -0.0023275300000000, -0.0016415100000000, -0.0008745800000000 ] - [ 0.0000092100000000, 0.0002771900000000, 0.0000702600000000 ] - [ 0.0000067300000000, 0.0002809500000000, 0.0000606900000000 ] - [ 0.0002499600000000, -0.0000227100000000, 0.0001311100000000 ] - [ 0.0002502400000000, -0.0000221900000000, 0.0001335200000000 ] - [ -0.0077685700000000, -0.0093416200000000, -0.0154746100000000 ] - [ 0.0024744900000000, 0.0000347200000000, -0.0001740800000000 ] - [ 0.0073903400000000, -0.0175558200000000, -0.0119824800000000 ] - [ 0.0006012500000000, -0.0005850900000000, 0.0003448900000000 ] - [ 0.0022115400000000, 0.0001024300000000, 0.0006994900000000 ] - [ -0.0173407800000000, -0.0186489500000000, 0.0192483800000000 ] - [ -0.0006585700000000, 0.0002187500000000, 0.0012184300000000 ] - [ 0.0002644400000000, -0.0001108800000000, -0.0000426300000000 ] - [ -0.0000603300000000, 0.0002793500000000, -0.0000045800000000 ] - [ -0.0000605900000000, 0.0002814000000000, -0.0000056400000000 ] - [ -0.0001680800000000, -0.0002109900000000, 0.0003613500000000 ] - [ 0.0000684400000000, -0.0003383500000000, -0.0000661500000000 ] - [ -0.0000144200000000, 0.0003053700000000, 0.0001767700000000 ] - [ -0.0001477400000000, 0.0003116300000000, 0.0000934800000000 ] - [ -0.0003161900000000, 0.0000892400000000, -0.0011381000000000 ] - [ 0.0009170500000000, 0.0000021600000000, -0.0001385200000000 ] - [ -0.0034136200000000, 0.0072223200000000, -0.0031452600000000 ] - [ 0.0012309700000000, -0.0005176700000000, -0.0016415500000000 ] - [ 0.0002584200000000, 0.0000463600000000, -0.0000888100000000 ] - [ 0.0002387800000000, 0.0000115500000000, -0.0000069400000000 ] - [ -0.0002191800000000, 0.0000080700000000, -0.0000420700000000 ] - [ -0.0002793200000000, 0.0000157700000000, -0.0000645500000000 ] - [ 0.0003265500000000, -0.0003475800000000, 0.0003155100000000 ] - [ -0.0001719700000000, -0.0002642000000000, 0.0000583200000000 ] - [ -0.0002527000000000, -0.0000192600000000, 0.0001317300000000 ] - [ -0.0002486700000000, -0.0000207300000000, 0.0001327200000000 ] - [ 0.0000605400000000, 0.0002205600000000, 0.0001846400000000 ] - [ 0.0000952500000000, 0.0002431300000000, 0.0000344300000000 ] - [ 0.0000634800000000, 0.0002805400000000, -0.0000033000000000 ] - [ 0.0000611900000000, 0.0002807900000000, -0.0000051900000000 ] - [ -0.0026560300000000, 0.0001701600000000, -0.0015839300000000 ] - [ 0.0012024600000000, -0.0013974000000000, -0.0001589700000000 ] - [ 0.0000000700000000, 0.0000014200000000, -0.0000225900000000 ] - [ -0.0000035000000000, 0.0000004000000000, -0.0000247500000000 ] - [ 0.0013261100000000, -0.0021654200000000, -0.0000747600000000 ] - [ -0.0028687300000000, 0.0001336500000000, 0.0017178700000000 ] - [ -0.0000014000000000, 0.0000009800000000, -0.0000235800000000 ] - [ 0.0000029400000000, -0.0000001100000000, -0.0000246400000000 ] - [ -0.0002147800000000, -0.0013693500000000, -0.0009638100000000 ] - [ 0.0021436200000000, -0.0005426200000000, 0.0027749400000000 ] - [ 0.0267856300000000, 0.0871236300000000, 0.0041735900000000 ] - [ -0.0015181500000000, -0.0008869100000000, 0.0002163800000000 ] - [ -0.0030207700000000, -0.0014003200000000, 0.0118001200000000 ] - [ -0.0003664000000000, 0.0003129800000000, -0.0001614900000000 ] - [ 0.0000152500000000, 0.0000495600000000, 0.0000844200000000 ] - [ 0.0000205200000000, 0.0000290600000000, 0.0000938200000000 ] - [ -0.0003638500000000, 0.0006470800000000, 0.0004159200000000 ] - [ 0.0000080700000000, 0.0001393000000000, 0.0002981700000000 ] - [ 0.0004435600000000, 0.0004865000000000, -0.0001108000000000 ] - [ -0.0000739500000000, 0.0003716600000000, -0.0000896700000000 ] - [ -0.0002507800000000, -0.0002134300000000, -0.0003029200000000 ] - [ 0.0009319300000000, -0.0005021300000000, -0.0001560200000000 ] - [ -0.0001244900000000, 0.0001296300000000, 0.0000596300000000 ] - [ 0.0013065900000000, 0.0006224400000000, -0.0001985700000000 ] - [ -0.0034394200000000, -0.0062683300000000, -0.0034702400000000 ] - [ 0.0001275800000000, -0.0004224700000000, 0.0006228600000000 ] - [ -0.0023641500000000, 0.0054096200000000, -0.0000148600000000 ] - [ -0.0007963700000000, 0.0044756700000000, 0.0006446500000000 ] - [ 0.0028732600000000, -0.0408876100000000, -0.0006622300000000 ] - [ -0.0009586400000000, 0.0001305400000000, 0.0001907900000000 ] - [ -0.0001154700000000, 0.0002537300000000, 0.0000255500000000 ] - [ -0.0001140100000000, 0.0002538800000000, 0.0000259900000000 ] - [ 0.0000286300000000, -0.0001629400000000, -0.0001486700000000 ] - [ 0.0000988500000000, -0.0001505900000000, -0.0001387100000000 ] - [ 0.0002925100000000, -0.0001378600000000, -0.0001486800000000 ] - [ -0.0003313100000000, 0.0001655500000000, -0.0000534000000000 ] - [ 0.0001338200000000, -0.0000622900000000, 0.0000949700000000 ] - [ 0.0001318100000000, -0.0000622500000000, 0.0000945400000000 ] - [ -0.0001448600000000, -0.0000734200000000, -0.0001388800000000 ] - [ -0.0001528900000000, -0.0000624100000000, -0.0001455000000000 ] - [ 0.0000888000000000, -0.0002444800000000, -0.0000315700000000 ] - [ 0.0001616100000000, -0.0002461200000000, -0.0001013200000000 ] - [ 0.0001518100000000, -0.0000573800000000, -0.0001490000000000 ] - [ 0.0001415300000000, -0.0000666500000000, -0.0001382900000000 ] - [ 0.0000689200000000, 0.0001660700000000, 0.0000962700000000 ] - [ 0.0000681200000000, 0.0001663400000000, 0.0000954400000000 ] - [ -0.0001475100000000, -0.0001970300000000, -0.0002143400000000 ] - [ -0.0000112500000000, -0.0000601300000000, -0.0000756300000000 ] - [ -0.0000600500000000, 0.0000178100000000, -0.0000026700000000 ] - [ -0.0000285400000000, 0.0000176000000000, 0.0000164800000000 ] - [ -0.0001325900000000, -0.0000598000000000, 0.0000968700000000 ] - [ -0.0001290600000000, -0.0000592900000000, 0.0000950500000000 ] - [ 0.0000021100000000, 0.0000045200000000, -0.0001380900000000 ] - [ 0.0000009700000000, 0.0000061700000000, -0.0001368300000000 ] - [ -0.0001624100000000, -0.0002356900000000, -0.0001174100000000 ] - [ -0.0000690900000000, -0.0002605100000000, -0.0000895600000000 ] - [ -0.0001499100000000, -0.0001937100000000, -0.0003939400000000 ] - [ -0.0001785500000000, -0.0002659500000000, 0.0003096000000000 ] - [ 0.0029403000000000, 0.0011410700000000, -0.0036277500000000 ] - [ -0.0004829600000000, 0.0006133500000000, 0.0003826900000000 ] - [ -0.0000016800000000, 0.0000114800000000, -0.0001353000000000 ] - [ -0.0000024000000000, 0.0000088300000000, -0.0001351700000000 ] - [ -0.0000688700000000, 0.0001675000000000, 0.0000957100000000 ] - [ -0.0000694500000000, 0.0001685600000000, 0.0000961800000000 ] - [ -0.0030904300000000, -0.0038180600000000, 0.0073578600000000 ] - [ -0.0013320300000000, -0.0035534400000000, -0.0060497700000000 ] - [ -0.0001151300000000, -0.0001637000000000, -0.0001954800000000 ] - [ -0.0000549100000000, -0.0001619100000000, -0.0001176400000000 ] - [ -0.0002277100000000, 0.0003703900000000, -0.0002609300000000 ] - [ -0.0001692300000000, 0.0003714100000000, -0.0001041400000000 ] - [ 0.0001155800000000, 0.0002535600000000, 0.0000253100000000 ] - [ 0.0001144200000000, 0.0002537600000000, 0.0000257700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0059005200000000, -0.0014547000000000, 0.0010200600000000 ] - [ -0.0042087400000000, 0.0013822300000000, -0.0053037800000000 ] - [ 0.0000210700000000, 0.0002747100000000, -0.0028538600000000 ] - [ 0.0000561000000000, 0.0002703500000000, -0.0028620700000000 ] - [ 0.0014247500000000, -0.0018532000000000, -0.0067211400000000 ] - [ -0.0025377100000000, -0.0013187300000000, 0.0024200900000000 ] - [ -0.0000433500000000, 0.0002745100000000, -0.0028694700000000 ] - [ -0.0000327800000000, 0.0002791000000000, -0.0028534600000000 ] - [ 0.0001952300000000, -0.0000133000000000, -0.0012687300000000 ] - [ 0.0001987100000000, -0.0000151300000000, -0.0012594300000000 ] - [ 0.0056169700000000, 0.0070743100000000, 0.0284768700000000 ] - [ 0.0023127900000000, 0.0010534700000000, 0.0020159000000000 ] - [ -0.0079602800000000, 0.0103989400000000, 0.0312637300000000 ] - [ 0.0009066600000000, -0.0010169200000000, 0.0056839000000000 ] - [ -0.0012764000000000, -0.0014985200000000, 0.0025499300000000 ] - [ -0.0151291300000000, -0.0129229800000000, 0.0361180000000000 ] - [ -0.0008557500000000, 0.0000080000000000, -0.0020007600000000 ] - [ 0.0002676800000000, -0.0000138800000000, -0.0008994400000000 ] - [ -0.0003136100000000, 0.0001548600000000, -0.0019417200000000 ] - [ -0.0003113100000000, 0.0001568700000000, -0.0019390600000000 ] - [ 0.0010432100000000, -0.0000248500000000, -0.0017585500000000 ] - [ -0.0005756000000000, -0.0006421800000000, -0.0019017500000000 ] - [ 0.0000130700000000, 0.0003976300000000, -0.0017351800000000 ] - [ 0.0003531300000000, 0.0004232100000000, -0.0019426000000000 ] - [ 0.0009051600000000, -0.0000789200000000, -0.0020956700000000 ] - [ -0.0003319200000000, -0.0000049000000000, -0.0009501000000000 ] - [ -0.0066203600000000, 0.0079354000000000, 0.0126330000000000 ] - [ 0.0002757700000000, 0.0001140400000000, 0.0060348200000000 ] - [ 0.0001620300000000, 0.0000496200000000, -0.0014881900000000 ] - [ 0.0004369900000000, -0.0000010700000000, -0.0013834800000000 ] - [ -0.0003015300000000, 0.0000716900000000, -0.0015698300000000 ] - [ -0.0002964300000000, -0.0000042700000000, -0.0013355600000000 ] - [ 0.0000921700000000, -0.0009206600000000, -0.0023056400000000 ] - [ -0.0004600300000000, -0.0000752900000000, -0.0013419200000000 ] - [ -0.0001977400000000, -0.0000100500000000, -0.0012657700000000 ] - [ -0.0001960200000000, -0.0000119400000000, -0.0012642400000000 ] - [ -0.0003276600000000, 0.0004026200000000, -0.0019678000000000 ] - [ -0.0000145900000000, 0.0003909400000000, -0.0017211300000000 ] - [ 0.0003146800000000, 0.0001545100000000, -0.0019403000000000 ] - [ 0.0003098100000000, 0.0001537100000000, -0.0019388600000000 ] - [ 0.0015359400000000, -0.0000611300000000, 0.0002606800000000 ] - [ -0.0007868400000000, -0.0004126900000000, 0.0020673600000000 ] - [ 0.0000432400000000, -0.0000256400000000, 0.0008065800000000 ] - [ 0.0000618900000000, -0.0000271900000000, 0.0008010200000000 ] - [ 0.0012017800000000, 0.0003192400000000, 0.0026679300000000 ] - [ -0.0018645400000000, -0.0000089200000000, 0.0004643900000000 ] - [ -0.0000492800000000, -0.0000281500000000, 0.0008037700000000 ] - [ -0.0000583900000000, -0.0000273000000000, 0.0008030000000000 ] - [ -0.0028147600000000, 0.0001179300000000, 0.0008463200000000 ] - [ 0.0032809100000000, 0.0005536000000000, 0.0020368800000000 ] - [ 0.0322308900000000, -0.0042847100000000, -0.0944212500000000 ] - [ -0.0001815200000000, -0.0002566300000000, -0.0021106900000000 ] - [ -0.0063949200000000, -0.0069048400000000, 0.0189892000000000 ] - [ 0.0013316800000000, 0.0009502000000000, -0.0037379600000000 ] - [ -0.0004022700000000, -0.0003960000000000, 0.0016133400000000 ] - [ -0.0005102700000000, -0.0003299100000000, 0.0016238500000000 ] - [ -0.0011459600000000, 0.0014484100000000, 0.0036123900000000 ] - [ 0.0000382300000000, -0.0000288000000000, 0.0003717700000000 ] - [ 0.0000124100000000, 0.0003383500000000, 0.0011625700000000 ] - [ 0.0000538500000000, 0.0003276000000000, 0.0007947100000000 ] - [ 0.0007196100000000, -0.0004754200000000, 0.0012446200000000 ] - [ -0.0005685500000000, 0.0003932000000000, -0.0002176100000000 ] - [ 0.0006020800000000, 0.0004348300000000, 0.0012822600000000 ] - [ -0.0008830300000000, -0.0003134300000000, -0.0001511000000000 ] - [ 0.0003753100000000, 0.0001103000000000, 0.0051894300000000 ] - [ -0.0019845100000000, 0.0008417900000000, -0.0039569600000000 ] - [ -0.0020009800000000, -0.0002945500000000, -0.0068916800000000 ] - [ 0.0000999600000000, -0.0008160100000000, -0.0062192100000000 ] - [ -0.0000864200000000, 0.0006115800000000, -0.0090596100000000 ] - [ -0.0006001800000000, -0.0002314100000000, -0.0019946300000000 ] - [ -0.0001810900000000, 0.0001779100000000, 0.0010280000000000 ] - [ -0.0001788100000000, 0.0001776600000000, 0.0010277800000000 ] - [ -0.0002748300000000, -0.0001904100000000, 0.0010644300000000 ] - [ 0.0001135900000000, -0.0001793300000000, 0.0007191700000000 ] - [ -0.0000445400000000, 0.0003221900000000, 0.0011704400000000 ] - [ -0.0000406000000000, 0.0002588000000000, 0.0007356300000000 ] - [ 0.0003868400000000, -0.0001194100000000, 0.0008973900000000 ] - [ 0.0003772600000000, -0.0001137300000000, 0.0008912800000000 ] - [ 0.0001165200000000, 0.0000018700000000, 0.0006672000000000 ] - [ 0.0001217300000000, 0.0000039700000000, 0.0006597700000000 ] - [ 0.0001761300000000, -0.0002561300000000, 0.0009847200000000 ] - [ -0.0000634900000000, -0.0003879300000000, 0.0008644300000000 ] - [ -0.0001156500000000, 0.0000002000000000, 0.0006685400000000 ] - [ -0.0001048400000000, -0.0000097900000000, 0.0006565000000000 ] - [ 0.0002086300000000, 0.0001367200000000, 0.0011152300000000 ] - [ 0.0002050000000000, 0.0001366100000000, 0.0011126400000000 ] - [ 0.0003409300000000, 0.0002560600000000, 0.0009453200000000 ] - [ -0.0004432500000000, 0.0001170300000000, 0.0008928200000000 ] - [ 0.0005047600000000, -0.0003309400000000, 0.0016180400000000 ] - [ 0.0003884700000000, -0.0003976000000000, 0.0015943100000000 ] - [ -0.0003868400000000, -0.0001221100000000, 0.0008948700000000 ] - [ -0.0003940100000000, -0.0001272200000000, 0.0008948200000000 ] - [ 0.0004808000000000, 0.0003957300000000, 0.0014392900000000 ] - [ 0.0004810100000000, 0.0003993700000000, 0.0014380500000000 ] - [ 0.0000052000000000, -0.0003114700000000, 0.0009889600000000 ] - [ -0.0000954900000000, -0.0003448400000000, 0.0008269600000000 ] - [ -0.0001100300000000, 0.0000094400000000, 0.0007670300000000 ] - [ 0.0008108100000000, 0.0003868700000000, 0.0021118500000000 ] - [ -0.0048273900000000, 0.0001773600000000, 0.0036179200000000 ] - [ 0.0022817700000000, -0.0009152000000000, -0.0009542400000000 ] - [ -0.0004774100000000, 0.0003977200000000, 0.0014375700000000 ] - [ -0.0004800300000000, 0.0003955200000000, 0.0014289400000000 ] - [ -0.0002055500000000, 0.0001381800000000, 0.0011137900000000 ] - [ -0.0002091800000000, 0.0001393600000000, 0.0011128900000000 ] - [ 0.0040291900000000, 0.0056282500000000, -0.0127176600000000 ] - [ -0.0030618400000000, -0.0073224500000000, -0.0134649100000000 ] - [ -0.0001346600000000, -0.0001575900000000, 0.0008464400000000 ] - [ 0.0002402200000000, -0.0002337400000000, 0.0008458100000000 ] - [ 0.0004366400000000, 0.0001434800000000, 0.0008922800000000 ] - [ -0.0003071000000000, 0.0003001400000000, 0.0008916700000000 ] - [ 0.0001801800000000, 0.0001775300000000, 0.0010282700000000 ] - [ 0.0001800200000000, 0.0001784200000000, 0.0010275900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0058984500000000, 0.0009114500000000, -0.0010080800000000 ] - [ 0.0041968400000000, -0.0019275400000000, 0.0052961300000000 ] - [ -0.0000248200000000, 0.0002715200000000, 0.0028545000000000 ] - [ -0.0000500100000000, 0.0002821200000000, 0.0028588700000000 ] - [ -0.0014029400000000, 0.0012689300000000, 0.0066935100000000 ] - [ 0.0025422200000000, 0.0007611500000000, -0.0024132500000000 ] - [ 0.0000513500000000, 0.0002841700000000, 0.0028710100000000 ] - [ 0.0000241700000000, 0.0002819800000000, 0.0028455800000000 ] - [ 0.0003015300000000, -0.0000308200000000, 0.0014486700000000 ] - [ 0.0002985200000000, -0.0000302500000000, 0.0014432000000000 ] - [ -0.0055389200000000, -0.0074414700000000, -0.0285002500000000 ] - [ -0.0018215200000000, -0.0010361600000000, -0.0018406500000000 ] - [ 0.0068771500000000, -0.0101329000000000, -0.0304156900000000 ] - [ -0.0010405700000000, 0.0004764400000000, -0.0057862000000000 ] - [ 0.0007657500000000, 0.0015693800000000, -0.0023831200000000 ] - [ 0.0152245400000000, 0.0134459700000000, -0.0361821800000000 ] - [ 0.0003659800000000, -0.0000537800000000, 0.0018156300000000 ] - [ -0.0007763300000000, -0.0000269300000000, 0.0007100000000000 ] - [ 0.0001746100000000, 0.0003984500000000, 0.0018186900000000 ] - [ 0.0001717400000000, 0.0004004500000000, 0.0018127500000000 ] - [ -0.0011748500000000, -0.0005323900000000, 0.0018856400000000 ] - [ 0.0004297300000000, 0.0000893800000000, 0.0020225200000000 ] - [ -0.0001527200000000, 0.0001573500000000, 0.0018579500000000 ] - [ -0.0004906700000000, 0.0001329200000000, 0.0020681200000000 ] - [ -0.0004104800000000, 0.0000397400000000, 0.0019148400000000 ] - [ 0.0008356200000000, -0.0000384600000000, 0.0007624700000000 ] - [ 0.0069493100000000, -0.0086795700000000, -0.0125014000000000 ] - [ -0.0001427300000000, -0.0006929300000000, -0.0061315500000000 ] - [ 0.0003297400000000, -0.0000089900000000, 0.0013066200000000 ] - [ 0.0000648100000000, 0.0000435800000000, 0.0011980600000000 ] - [ -0.0001999200000000, -0.0000293100000000, 0.0013836400000000 ] - [ -0.0001961300000000, 0.0000470400000000, 0.0011543600000000 ] - [ 0.0000437700000000, 0.0003632400000000, 0.0024312100000000 ] - [ 0.0006020300000000, -0.0004782700000000, 0.0014661100000000 ] - [ -0.0003027700000000, -0.0000288900000000, 0.0014474900000000 ] - [ -0.0002973900000000, -0.0000282300000000, 0.0014461500000000 ] - [ 0.0004702800000000, 0.0001506600000000, 0.0020923500000000 ] - [ 0.0001501000000000, 0.0001631300000000, 0.0018453400000000 ] - [ -0.0001728400000000, 0.0003989700000000, 0.0018185300000000 ] - [ -0.0001740800000000, 0.0003972400000000, 0.0018149000000000 ] - [ -0.0015256200000000, 0.0000612900000000, -0.0002496400000000 ] - [ 0.0008114300000000, 0.0003843700000000, -0.0021077100000000 ] - [ -0.0000431100000000, 0.0000257500000000, -0.0008066500000000 ] - [ -0.0000616700000000, 0.0000272800000000, -0.0008007600000000 ] - [ -0.0012328000000000, -0.0002807100000000, -0.0027056400000000 ] - [ 0.0018586900000000, 0.0000088300000000, -0.0004570500000000 ] - [ 0.0000488600000000, 0.0000281200000000, -0.0008034500000000 ] - [ 0.0000581900000000, 0.0000269300000000, -0.0008033100000000 ] - [ 0.0030703300000000, -0.0000005200000000, -0.0006052900000000 ] - [ -0.0030107000000000, -0.0004342200000000, -0.0018058500000000 ] - [ -0.0316098600000000, 0.0033672000000000, 0.0934807900000000 ] - [ 0.0000393300000000, -0.0000803200000000, 0.0023610500000000 ] - [ 0.0061912200000000, 0.0066647600000000, -0.0187958800000000 ] - [ -0.0013567800000000, -0.0009872000000000, 0.0035457400000000 ] - [ 0.0004313400000000, 0.0004332300000000, -0.0014275100000000 ] - [ 0.0005368300000000, 0.0003656400000000, -0.0014321600000000 ] - [ 0.0011678900000000, -0.0014751300000000, -0.0034165300000000 ] - [ -0.0000086600000000, -0.0000084800000000, -0.0001875300000000 ] - [ 0.0002206700000000, 0.0001654700000000, -0.0012758300000000 ] - [ 0.0001772500000000, 0.0001770600000000, -0.0009051900000000 ] - [ -0.0009883600000000, 0.0005938100000000, -0.0014786600000000 ] - [ 0.0002969500000000, -0.0002768400000000, -0.0000201000000000 ] - [ -0.0003205200000000, -0.0003052900000000, -0.0015123800000000 ] - [ 0.0011639300000000, 0.0004432700000000, -0.0000873700000000 ] - [ -0.0003460000000000, -0.0000973300000000, -0.0053013200000000 ] - [ 0.0020073000000000, -0.0008756400000000, 0.0037729000000000 ] - [ 0.0023458100000000, -0.0001964700000000, 0.0069929300000000 ] - [ 0.0000485900000000, 0.0002963900000000, 0.0063444100000000 ] - [ 0.0002083900000000, -0.0009307600000000, 0.0093305800000000 ] - [ 0.0007480100000000, -0.0001041300000000, 0.0022410600000000 ] - [ -0.0000532200000000, 0.0003264000000000, -0.0009172000000000 ] - [ -0.0000527300000000, 0.0003265400000000, -0.0009155400000000 ] - [ 0.0004181300000000, -0.0001466000000000, -0.0013145900000000 ] - [ 0.0000329900000000, -0.0001550900000000, -0.0009723300000000 ] - [ -0.0001881900000000, 0.0001834100000000, -0.0012846400000000 ] - [ -0.0001942000000000, 0.0002454200000000, -0.0008462500000000 ] - [ -0.0001181800000000, 0.0000048800000000, -0.0006586300000000 ] - [ -0.0001106000000000, -0.0000014500000000, -0.0006568500000000 ] - [ -0.0003874800000000, -0.0001223600000000, -0.0009024100000000 ] - [ -0.0003856800000000, -0.0001136700000000, -0.0008947600000000 ] - [ 0.0000558400000000, -0.0002471900000000, -0.0010948400000000 ] - [ 0.0002963900000000, -0.0001169200000000, -0.0009759600000000 ] - [ 0.0003957400000000, -0.0001255600000000, -0.0009033600000000 ] - [ 0.0003920800000000, -0.0001262700000000, -0.0008926000000000 ] - [ -0.0000624000000000, 0.0001950100000000, -0.0008620000000000 ] - [ -0.0000611100000000, 0.0001954800000000, -0.0008611200000000 ] - [ -0.0001991900000000, 0.0000801800000000, -0.0011980400000000 ] - [ 0.0005925700000000, 0.0002188900000000, -0.0011462300000000 ] - [ -0.0005389700000000, 0.0003712200000000, -0.0014452800000000 ] - [ -0.0004209500000000, 0.0004359900000000, -0.0014148800000000 ] - [ 0.0001009200000000, -0.0000094700000000, -0.0006556500000000 ] - [ 0.0001110200000000, -0.0000031800000000, -0.0006600300000000 ] - [ -0.0004464400000000, -0.0003578500000000, -0.0016170000000000 ] - [ -0.0004489800000000, -0.0003581500000000, -0.0016104000000000 ] - [ -0.0002392600000000, -0.0001934100000000, -0.0011003200000000 ] - [ -0.0001359100000000, -0.0001587900000000, -0.0009396700000000 ] - [ 0.0000732000000000, -0.0000486000000000, -0.0005941100000000 ] - [ -0.0008386900000000, -0.0004265300000000, -0.0019321400000000 ] - [ 0.0045448600000000, -0.0000444300000000, -0.0033890700000000 ] - [ -0.0025580800000000, 0.0010383800000000, 0.0011800400000000 ] - [ 0.0004505600000000, -0.0003588500000000, -0.0016220000000000 ] - [ 0.0004501800000000, -0.0003611200000000, -0.0016180200000000 ] - [ 0.0000614500000000, 0.0001961700000000, -0.0008622900000000 ] - [ 0.0000628600000000, 0.0001967300000000, -0.0008607700000000 ] - [ -0.0042888100000000, -0.0061566500000000, 0.0128368300000000 ] - [ 0.0028703800000000, 0.0068626400000000, 0.0136136800000000 ] - [ -0.0000106400000000, -0.0001759900000000, -0.0010981000000000 ] - [ -0.0003844500000000, -0.0000972900000000, -0.0010989500000000 ] - [ -0.0005848200000000, 0.0001896900000000, -0.0011439200000000 ] - [ 0.0001659700000000, 0.0000314100000000, -0.0011448400000000 ] - [ 0.0000534700000000, 0.0003260200000000, -0.0009169500000000 ] - [ 0.0000517600000000, 0.0003262500000000, -0.0009149100000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0135164900000000, 0.0022395900000000, 0.0014406900000000 ] - [ 0.0017789500000000, -0.0026562000000000, -0.0095559000000000 ] - [ -0.0000244600000000, 0.0002730500000000, 0.0013408400000000 ] - [ -0.0000071800000000, 0.0002709900000000, 0.0013581100000000 ] - [ 0.0224528600000000, 0.0082438400000000, -0.0136604900000000 ] - [ -0.0075817300000000, -0.0016120700000000, -0.0055451800000000 ] - [ 0.0000276500000000, 0.0002792100000000, 0.0013448600000000 ] - [ 0.0000033900000000, 0.0002751200000000, 0.0013542600000000 ] - [ 0.0002814100000000, -0.0000259700000000, 0.0007357700000000 ] - [ 0.0002594600000000, -0.0000267600000000, 0.0007231600000000 ] - [ 0.0055945800000000, 0.0002285300000000, -0.0026286300000000 ] - [ -0.0061785600000000, -0.0020450000000000, 0.0013236500000000 ] - [ 0.0178593700000000, -0.0053712800000000, -0.0039644600000000 ] - [ -0.0074284600000000, 0.0002766900000000, -0.0054546900000000 ] - [ -0.0031009600000000, 0.0001092400000000, -0.0010426000000000 ] - [ 0.0043251400000000, 0.0014297500000000, 0.0013376400000000 ] - [ 0.0000328500000000, -0.0000281800000000, 0.0004057900000000 ] - [ -0.0004885900000000, 0.0000038200000000, 0.0007049000000000 ] - [ 0.0000496900000000, 0.0003339600000000, 0.0008271100000000 ] - [ 0.0000414700000000, 0.0003376400000000, 0.0008241000000000 ] - [ -0.0027555900000000, -0.0007399900000000, 0.0026524400000000 ] - [ 0.0015127700000000, -0.0003709900000000, -0.0003936000000000 ] - [ -0.0002111300000000, 0.0002217700000000, 0.0008986600000000 ] - [ -0.0001600400000000, 0.0002138200000000, 0.0009992000000000 ] - [ 0.0003680400000000, -0.0000009000000000, 0.0008421100000000 ] - [ 0.0000539800000000, -0.0000323800000000, 0.0002657700000000 ] - [ 0.0268815800000000, 0.0031564300000000, 0.0022957300000000 ] - [ -0.0080800600000000, -0.0002736800000000, -0.0054196200000000 ] - [ 0.0005791100000000, 0.0000337600000000, 0.0002080900000000 ] - [ -0.0001076200000000, -0.0000114900000000, 0.0007360300000000 ] - [ 0.0002441600000000, -0.0000491800000000, 0.0008489100000000 ] - [ -0.0007416400000000, 0.0001034700000000, 0.0003609000000000 ] - [ 0.0034303400000000, 0.0008712100000000, 0.0019269100000000 ] - [ -0.0015705400000000, -0.0002555200000000, -0.0005010300000000 ] - [ -0.0002761600000000, -0.0000242000000000, 0.0007489300000000 ] - [ -0.0002651400000000, -0.0000239000000000, 0.0007191000000000 ] - [ 0.0002389200000000, 0.0002262000000000, 0.0009211600000000 ] - [ 0.0001265600000000, 0.0002188000000000, 0.0009829800000000 ] - [ -0.0000430400000000, 0.0003358000000000, 0.0008255000000000 ] - [ -0.0000483500000000, 0.0003334300000000, 0.0008287400000000 ] - [ 0.0002750400000000, -0.0000491100000000, 0.0000423300000000 ] - [ -0.0002263000000000, -0.0000837700000000, -0.0005550600000000 ] - [ 0.0000115400000000, 0.0000152100000000, -0.0003873100000000 ] - [ -0.0000572200000000, 0.0000131400000000, -0.0003657600000000 ] - [ -0.0005903400000000, 0.0000109500000000, -0.0003116500000000 ] - [ 0.0007422500000000, -0.0000232000000000, -0.0006637700000000 ] - [ -0.0000252600000000, 0.0000127700000000, -0.0003865900000000 ] - [ 0.0000788900000000, 0.0000129900000000, -0.0003838700000000 ] - [ 0.0101273100000000, 0.0080573800000000, -0.0059517400000000 ] - [ 0.0036943800000000, 0.0004811200000000, 0.0056502800000000 ] - [ -0.0026155400000000, 0.0028304500000000, -0.0061459300000000 ] - [ 0.0025162400000000, 0.0001894200000000, 0.0014733200000000 ] - [ -0.0813962700000000, 0.0091891700000000, 0.0500849100000000 ] - [ 0.0024479200000000, -0.0014216200000000, 0.0017459300000000 ] - [ 0.0002241200000000, 0.0001939400000000, -0.0006118400000000 ] - [ 0.0002438700000000, 0.0001949200000000, -0.0006356800000000 ] - [ 0.0054382300000000, -0.0044953000000000, -0.0079949300000000 ] - [ 0.0001576500000000, 0.0003865700000000, 0.0014343900000000 ] - [ 0.0000259100000000, 0.0001655100000000, -0.0005397400000000 ] - [ 0.0002915300000000, 0.0002537400000000, -0.0004997700000000 ] - [ -0.0107907300000000, 0.0044496200000000, 0.0012952100000000 ] - [ 0.0043411400000000, -0.0028667400000000, 0.0003483300000000 ] - [ -0.0036874200000000, 0.0011943100000000, 0.0067348100000000 ] - [ 0.0046463500000000, 0.0025375400000000, -0.0004334600000000 ] - [ -0.0031316100000000, -0.0017119600000000, 0.0045980000000000 ] - [ 0.0044848300000000, -0.0000264900000000, 0.0044554000000000 ] - [ 0.0013626400000000, -0.0026466900000000, 0.0044834800000000 ] - [ 0.0039602200000000, 0.0039653900000000, -0.0031529900000000 ] - [ -0.0061730500000000, -0.0036360900000000, -0.0002468700000000 ] - [ 0.0035056500000000, -0.0000534300000000, 0.0021267100000000 ] - [ -0.0000893600000000, 0.0002895400000000, -0.0004052200000000 ] - [ -0.0000836200000000, 0.0002873500000000, -0.0003994300000000 ] - [ 0.0000504600000000, -0.0005527800000000, -0.0012933700000000 ] - [ 0.0001813400000000, -0.0001739600000000, -0.0001017000000000 ] - [ -0.0002671800000000, 0.0002645600000000, -0.0005326600000000 ] - [ -0.0000025200000000, 0.0001835000000000, -0.0005048200000000 ] - [ 0.0000109500000000, -0.0000258800000000, -0.0002491900000000 ] - [ 0.0000119900000000, -0.0000261500000000, -0.0002527300000000 ] - [ -0.0002560700000000, -0.0000826800000000, -0.0004884700000000 ] - [ -0.0002377800000000, -0.0000798100000000, -0.0004778100000000 ] - [ -0.0004612100000000, -0.0003274400000000, -0.0004240400000000 ] - [ 0.0008694900000000, 0.0001224900000000, -0.0008577300000000 ] - [ 0.0002481200000000, -0.0000915600000000, -0.0004791600000000 ] - [ 0.0002663900000000, -0.0000937000000000, -0.0004882300000000 ] - [ 0.0000027800000000, 0.0001798300000000, -0.0003380600000000 ] - [ 0.0000163300000000, 0.0001806000000000, -0.0003408500000000 ] - [ 0.0000892300000000, 0.0001675200000000, -0.0005460900000000 ] - [ 0.0001706200000000, 0.0001608200000000, -0.0006534300000000 ] - [ -0.0002316200000000, 0.0001921800000000, -0.0006168800000000 ] - [ -0.0002322000000000, 0.0002047700000000, -0.0006409500000000 ] - [ -0.0000236900000000, -0.0000371700000000, -0.0002478600000000 ] - [ -0.0000224800000000, -0.0000361600000000, -0.0002523900000000 ] - [ -0.0002060800000000, -0.0001611200000000, -0.0008151600000000 ] - [ -0.0002038300000000, -0.0001595200000000, -0.0008090200000000 ] - [ -0.0006969000000000, -0.0001016800000000, -0.0004972100000000 ] - [ 0.0004862600000000, -0.0004571300000000, -0.0004286700000000 ] - [ 0.0001323800000000, -0.0001863600000000, -0.0025056300000000 ] - [ 0.0001184400000000, 0.0008813500000000, 0.0025752600000000 ] - [ 0.0157060300000000, -0.0142162300000000, -0.0114559900000000 ] - [ 0.0004696500000000, 0.0002175100000000, 0.0021333600000000 ] - [ 0.0002063500000000, -0.0001605200000000, -0.0008163400000000 ] - [ 0.0002082600000000, -0.0001626400000000, -0.0008208200000000 ] - [ -0.0000154800000000, 0.0001790000000000, -0.0003397500000000 ] - [ -0.0000016500000000, 0.0001805000000000, -0.0003403700000000 ] - [ 0.0013330800000000, -0.0007649700000000, 0.0040587200000000 ] - [ 0.0094285400000000, -0.0102148300000000, -0.0141875900000000 ] - [ -0.0002418400000000, -0.0000049900000000, -0.0009567300000000 ] - [ -0.0000579800000000, -0.0000320000000000, -0.0000350900000000 ] - [ -0.0001817000000000, 0.0001535900000000, -0.0005342200000000 ] - [ -0.0001026900000000, 0.0001232700000000, -0.0006519300000000 ] - [ 0.0000839100000000, 0.0002859100000000, -0.0004048700000000 ] - [ 0.0000867600000000, 0.0002868200000000, -0.0003988300000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0134712000000000, -0.0028188100000000, -0.0014790400000000 ] - [ -0.0016839200000000, 0.0021530000000000, 0.0094331600000000 ] - [ 0.0000220000000000, 0.0002704100000000, -0.0013287200000000 ] - [ 0.0000118700000000, 0.0002759700000000, -0.0013459700000000 ] - [ -0.0221710100000000, -0.0086971100000000, 0.0139347000000000 ] - [ 0.0075563100000000, 0.0010547300000000, 0.0054820500000000 ] - [ -0.0000220300000000, 0.0002734700000000, -0.0013310800000000 ] - [ -0.0000092400000000, 0.0002796700000000, -0.0013477900000000 ] - [ 0.0002141200000000, -0.0000183100000000, -0.0005484200000000 ] - [ 0.0002350300000000, -0.0000183100000000, -0.0005331900000000 ] - [ -0.0050856900000000, -0.0001927500000000, 0.0027750200000000 ] - [ 0.0066290300000000, 0.0020573200000000, -0.0011270100000000 ] - [ -0.0179522900000000, 0.0049122600000000, 0.0037020900000000 ] - [ 0.0072428400000000, -0.0008218700000000, 0.0052951800000000 ] - [ 0.0025825800000000, -0.0000839500000000, 0.0012142800000000 ] - [ -0.0047446300000000, -0.0013423600000000, -0.0011522400000000 ] - [ -0.0005251700000000, -0.0000133500000000, -0.0005845400000000 ] - [ -0.0000083100000000, -0.0000439500000000, -0.0008805000000000 ] - [ -0.0001874300000000, 0.0002214000000000, -0.0009408300000000 ] - [ -0.0001796500000000, 0.0002219200000000, -0.0009406800000000 ] - [ 0.0025750000000000, 0.0001645100000000, -0.0025215700000000 ] - [ -0.0016348700000000, -0.0001832000000000, 0.0005068900000000 ] - [ 0.0000706600000000, 0.0003331500000000, -0.0007679400000000 ] - [ 0.0000234500000000, 0.0003425200000000, -0.0008669600000000 ] - [ 0.0001283200000000, -0.0000418800000000, -0.0010182700000000 ] - [ 0.0004381700000000, -0.0000108300000000, -0.0004433000000000 ] - [ -0.0250395700000000, -0.0042316200000000, -0.0029324200000000 ] - [ 0.0082073600000000, -0.0002541700000000, 0.0052933200000000 ] - [ -0.0000783400000000, 0.0000060700000000, -0.0003860900000000 ] - [ 0.0005965000000000, 0.0000545700000000, -0.0009172700000000 ] - [ -0.0007379900000000, 0.0000898900000000, -0.0010193400000000 ] - [ 0.0002453300000000, -0.0000590200000000, -0.0005406800000000 ] - [ -0.0032929400000000, -0.0013832300000000, -0.0017835000000000 ] - [ 0.0017091800000000, -0.0003044700000000, 0.0006084500000000 ] - [ -0.0002222000000000, -0.0000146400000000, -0.0005602400000000 ] - [ -0.0002262600000000, -0.0000162900000000, -0.0005303500000000 ] - [ -0.0000965900000000, 0.0003285600000000, -0.0007899300000000 ] - [ 0.0000113000000000, 0.0003363000000000, -0.0008503400000000 ] - [ 0.0001827700000000, 0.0002192700000000, -0.0009379100000000 ] - [ 0.0001828000000000, 0.0002192800000000, -0.0009420200000000 ] - [ -0.0002710000000000, 0.0000492900000000, -0.0000440000000000 ] - [ 0.0002232100000000, 0.0000819600000000, 0.0005514500000000 ] - [ -0.0000111500000000, -0.0000151900000000, 0.0003836600000000 ] - [ 0.0000567200000000, -0.0000129400000000, 0.0003626300000000 ] - [ 0.0005866900000000, -0.0000115500000000, 0.0003097200000000 ] - [ -0.0007422600000000, 0.0000230100000000, 0.0006568800000000 ] - [ 0.0000247400000000, -0.0000124300000000, 0.0003835400000000 ] - [ -0.0000780400000000, -0.0000131900000000, 0.0003796300000000 ] - [ -0.0098331400000000, -0.0079909800000000, 0.0062896100000000 ] - [ -0.0034232600000000, -0.0003763200000000, -0.0053727500000000 ] - [ 0.0023735300000000, -0.0031943900000000, 0.0064371700000000 ] - [ -0.0026431100000000, -0.0005195900000000, -0.0012138100000000 ] - [ 0.0795189000000000, -0.0086476300000000, -0.0497696900000000 ] - [ -0.0024656300000000, 0.0013766900000000, -0.0019093800000000 ] - [ -0.0001951900000000, -0.0001565200000000, 0.0007940100000000 ] - [ -0.0002169300000000, -0.0001580500000000, 0.0008216800000000 ] - [ -0.0053905800000000, 0.0043439500000000, 0.0079939200000000 ] - [ -0.0001393200000000, -0.0004170000000000, -0.0012227700000000 ] - [ 0.0002065200000000, 0.0003388800000000, 0.0004210000000000 ] - [ -0.0000592500000000, 0.0002513600000000, 0.0003812200000000 ] - [ 0.0105010800000000, -0.0043447300000000, -0.0015014000000000 ] - [ -0.0045848600000000, 0.0029785300000000, -0.0005634800000000 ] - [ 0.0038270400000000, -0.0011504200000000, -0.0069923300000000 ] - [ -0.0043625700000000, -0.0024071700000000, 0.0002100900000000 ] - [ 0.0031559800000000, 0.0016386100000000, -0.0047119900000000 ] - [ -0.0044298500000000, -0.0000131000000000, -0.0046166500000000 ] - [ -0.0011440500000000, 0.0021771900000000, -0.0043978300000000 ] - [ -0.0037160300000000, -0.0044299800000000, 0.0032435000000000 ] - [ 0.0062339800000000, 0.0032749300000000, 0.0004738900000000 ] - [ -0.0033370100000000, -0.0002789200000000, -0.0018658000000000 ] - [ -0.0001440800000000, 0.0002153100000000, 0.0005143000000000 ] - [ -0.0001469100000000, 0.0002182300000000, 0.0005093700000000 ] - [ 0.0001052900000000, 0.0002085300000000, 0.0010215200000000 ] - [ -0.0000375100000000, -0.0001601600000000, -0.0001486100000000 ] - [ 0.0000353600000000, 0.0002409300000000, 0.0004130000000000 ] - [ -0.0002308500000000, 0.0003205700000000, 0.0003854200000000 ] - [ 0.0002503400000000, -0.0000845900000000, 0.0004810100000000 ] - [ 0.0002462100000000, -0.0000833700000000, 0.0004807100000000 ] - [ -0.0000085000000000, -0.0000319700000000, 0.0002514300000000 ] - [ -0.0000218500000000, -0.0000268200000000, 0.0002416900000000 ] - [ 0.0006824000000000, -0.0001813500000000, 0.0003026600000000 ] - [ -0.0006300800000000, -0.0006234400000000, 0.0007399100000000 ] - [ 0.0000306800000000, -0.0000337400000000, 0.0002422500000000 ] - [ 0.0000178200000000, -0.0000405300000000, 0.0002497800000000 ] - [ 0.0001421400000000, 0.0001517400000000, 0.0005882200000000 ] - [ 0.0001274700000000, 0.0001514900000000, 0.0005890800000000 ] - [ 0.0000565800000000, 0.0001681300000000, 0.0002882400000000 ] - [ -0.0000249600000000, 0.0001743000000000, 0.0003943800000000 ] - [ 0.0001986900000000, -0.0001519000000000, 0.0007862800000000 ] - [ 0.0001990700000000, -0.0001659100000000, 0.0008131700000000 ] - [ -0.0002569300000000, -0.0000922600000000, 0.0004808200000000 ] - [ -0.0002559400000000, -0.0000924800000000, 0.0004814800000000 ] - [ 0.0002354500000000, 0.0001955000000000, 0.0006272600000000 ] - [ 0.0002307300000000, 0.0001969200000000, 0.0006253400000000 ] - [ 0.0004572400000000, -0.0004046800000000, 0.0003771400000000 ] - [ -0.0007130200000000, -0.0000477500000000, 0.0003134900000000 ] - [ -0.0001469500000000, 0.0001599600000000, 0.0027129800000000 ] - [ -0.0001576400000000, -0.0009197800000000, -0.0023808500000000 ] - [ -0.0160991800000000, 0.0144809500000000, 0.0118967300000000 ] - [ -0.0007566600000000, -0.0000794100000000, -0.0018789200000000 ] - [ -0.0002282900000000, 0.0001962200000000, 0.0006202400000000 ] - [ -0.0002343400000000, 0.0001945200000000, 0.0006222800000000 ] - [ -0.0001286900000000, 0.0001555800000000, 0.0005875600000000 ] - [ -0.0001433800000000, 0.0001558100000000, 0.0005888900000000 ] - [ -0.0015265800000000, 0.0002221100000000, -0.0038934600000000 ] - [ -0.0095288000000000, 0.0095691200000000, 0.0140964800000000 ] - [ 0.0001076600000000, -0.0003307700000000, 0.0006957300000000 ] - [ -0.0000901500000000, -0.0002983300000000, -0.0002176300000000 ] - [ 0.0000365300000000, 0.0001776100000000, 0.0002761600000000 ] - [ -0.0000434600000000, 0.0002096500000000, 0.0003926000000000 ] - [ 0.0001492600000000, 0.0002185800000000, 0.0005140900000000 ] - [ 0.0001429900000000, 0.0002190500000000, 0.0005090800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008399000000000, -0.0066436400000000, -0.0038482800000000 ] - [ 0.0006694200000000, -0.0056426700000000, -0.0035312100000000 ] - [ -0.0000091000000000, 0.0002689100000000, 0.0011065300000000 ] - [ -0.0000160100000000, 0.0002750200000000, 0.0010973900000000 ] - [ -0.0012303900000000, 0.0217780500000000, -0.0081807800000000 ] - [ 0.0005753500000000, -0.0000261300000000, -0.0019979300000000 ] - [ 0.0000122400000000, 0.0002747400000000, 0.0011088000000000 ] - [ 0.0000132500000000, 0.0002799300000000, 0.0010937400000000 ] - [ 0.0002789900000000, -0.0000266400000000, 0.0006112900000000 ] - [ 0.0002563000000000, -0.0000272500000000, 0.0005995500000000 ] - [ -0.0018570600000000, 0.0000805500000000, -0.0006286700000000 ] - [ 0.0017810800000000, -0.0000834000000000, -0.0004954500000000 ] - [ -0.0091144100000000, 0.0253323800000000, -0.0024442400000000 ] - [ 0.0011885800000000, -0.0000544500000000, -0.0010204300000000 ] - [ 0.0035773100000000, 0.0016133700000000, 0.0010132800000000 ] - [ -0.0042301800000000, -0.0012041600000000, -0.0000562300000000 ] - [ -0.0003058200000000, -0.0000120300000000, 0.0006119400000000 ] - [ -0.0001422500000000, -0.0000263100000000, 0.0002808700000000 ] - [ 0.0000265300000000, 0.0003246300000000, 0.0006651800000000 ] - [ 0.0000214900000000, 0.0003253300000000, 0.0006610500000000 ] - [ -0.0030849500000000, -0.0015858800000000, 0.0009835700000000 ] - [ 0.0016599400000000, 0.0000962300000000, 0.0005285100000000 ] - [ -0.0001292300000000, 0.0002309100000000, 0.0008057100000000 ] - [ -0.0001965400000000, 0.0002345500000000, 0.0007721000000000 ] - [ 0.0000673900000000, -0.0000371100000000, 0.0003395200000000 ] - [ 0.0003964700000000, -0.0000210900000000, 0.0005119700000000 ] - [ -0.0012913100000000, 0.0020569900000000, -0.0067609200000000 ] - [ 0.0015911500000000, -0.0002421800000000, -0.0053739700000000 ] - [ 0.0005734500000000, 0.0000229000000000, 0.0002288500000000 ] - [ -0.0002211200000000, 0.0001375700000000, 0.0002570300000000 ] - [ 0.0001124700000000, -0.0001686900000000, 0.0010041200000000 ] - [ -0.0004977300000000, 0.0001138300000000, 0.0002578100000000 ] - [ 0.0010815000000000, 0.0015766300000000, 0.0004521800000000 ] - [ -0.0001382800000000, -0.0003896500000000, -0.0006068300000000 ] - [ -0.0002703500000000, -0.0000215700000000, 0.0006352200000000 ] - [ -0.0002673400000000, -0.0000218000000000, 0.0006084200000000 ] - [ 0.0001522000000000, 0.0002247600000000, 0.0008175700000000 ] - [ 0.0001766100000000, 0.0002301000000000, 0.0007549900000000 ] - [ -0.0000217500000000, 0.0003248100000000, 0.0006617600000000 ] - [ -0.0000269000000000, 0.0003262000000000, 0.0006659700000000 ] - [ -0.0003536400000000, 0.0000236600000000, -0.0005053800000000 ] - [ 0.0003251300000000, 0.0001235700000000, -0.0003224800000000 ] - [ 0.0000058300000000, -0.0000030700000000, -0.0003197700000000 ] - [ -0.0000466000000000, 0.0000038300000000, -0.0002939200000000 ] - [ 0.0001624200000000, 0.0000370400000000, -0.0004041200000000 ] - [ -0.0001618700000000, 0.0000126800000000, -0.0000365400000000 ] - [ -0.0000128000000000, 0.0000148700000000, -0.0003112400000000 ] - [ 0.0000777800000000, 0.0000126400000000, -0.0003225700000000 ] - [ 0.0120198200000000, 0.0081870600000000, -0.0032717000000000 ] - [ -0.0000118700000000, 0.0005170300000000, 0.0004133800000000 ] - [ 0.0034003500000000, 0.0012147800000000, -0.0066487200000000 ] - [ -0.0013063800000000, -0.0005009800000000, 0.0011014900000000 ] - [ 0.0092117600000000, -0.0784481900000000, 0.0371408200000000 ] - [ -0.0014201100000000, -0.0000297800000000, 0.0013327100000000 ] - [ 0.0001910100000000, 0.0001714600000000, -0.0005014200000000 ] - [ 0.0001911100000000, 0.0001619500000000, -0.0004857200000000 ] - [ 0.0044524000000000, -0.0039539800000000, -0.0127569500000000 ] - [ -0.0003899200000000, 0.0002118600000000, 0.0009616300000000 ] - [ 0.0002182000000000, 0.0002614200000000, -0.0004478700000000 ] - [ 0.0000580500000000, 0.0002128900000000, -0.0004271800000000 ] - [ -0.0036808700000000, 0.0053585000000000, -0.0077860700000000 ] - [ 0.0002483300000000, 0.0006653300000000, 0.0008213400000000 ] - [ 0.0027554800000000, 0.0018648300000000, 0.0077273100000000 ] - [ 0.0000585500000000, 0.0001051300000000, 0.0003575800000000 ] - [ 0.0017546500000000, 0.0057443000000000, 0.0028773900000000 ] - [ 0.0000274800000000, -0.0002770200000000, 0.0017651900000000 ] - [ -0.0014196500000000, -0.0014854500000000, -0.0011234700000000 ] - [ -0.0008560900000000, -0.0019312500000000, 0.0025311800000000 ] - [ 0.0039910100000000, 0.0061035400000000, 0.0001827200000000 ] - [ -0.0014133400000000, 0.0002409700000000, 0.0009915900000000 ] - [ -0.0000962100000000, 0.0002842600000000, -0.0003209900000000 ] - [ -0.0000902400000000, 0.0002821400000000, -0.0003159800000000 ] - [ 0.0007895800000000, -0.0008361800000000, -0.0015962500000000 ] - [ -0.0000949700000000, -0.0003263500000000, -0.0001151300000000 ] - [ -0.0000714600000000, 0.0001918400000000, -0.0004498400000000 ] - [ -0.0002252500000000, 0.0002419400000000, -0.0004184300000000 ] - [ 0.0000376000000000, -0.0000337900000000, -0.0001820800000000 ] - [ 0.0000360700000000, -0.0000342000000000, -0.0001818100000000 ] - [ -0.0002250200000000, -0.0000821700000000, -0.0004143100000000 ] - [ -0.0002317500000000, -0.0000775700000000, -0.0004191100000000 ] - [ -0.0003211300000000, -0.0002525800000000, -0.0004263500000000 ] - [ 0.0006274300000000, 0.0000752200000000, -0.0005489300000000 ] - [ 0.0002405300000000, -0.0000850800000000, -0.0004201600000000 ] - [ 0.0002339900000000, -0.0000897300000000, -0.0004148700000000 ] - [ 0.0000176100000000, 0.0001796300000000, -0.0002526100000000 ] - [ 0.0000279000000000, 0.0001802400000000, -0.0002556000000000 ] - [ 0.0001027100000000, 0.0001367900000000, -0.0005435200000000 ] - [ 0.0001560900000000, 0.0001565400000000, -0.0004761900000000 ] - [ -0.0002028200000000, 0.0001649300000000, -0.0005101600000000 ] - [ -0.0001899700000000, 0.0001642600000000, -0.0004919400000000 ] - [ -0.0000465500000000, -0.0000426800000000, -0.0001811800000000 ] - [ -0.0000439200000000, -0.0000415200000000, -0.0001815000000000 ] - [ -0.0001630500000000, -0.0001262300000000, -0.0006756400000000 ] - [ -0.0001634900000000, -0.0001267200000000, -0.0006761400000000 ] - [ -0.0005739900000000, -0.0003948600000000, -0.0004602200000000 ] - [ 0.0001838300000000, -0.0003318200000000, -0.0001896600000000 ] - [ 0.0008914200000000, 0.0011479800000000, 0.0010333200000000 ] - [ -0.0001856500000000, 0.0011500500000000, 0.0010305400000000 ] - [ -0.0094433700000000, 0.0034437900000000, 0.0087736900000000 ] - [ -0.0009860100000000, 0.0003132500000000, 0.0006773400000000 ] - [ 0.0001659500000000, -0.0001268600000000, -0.0006839700000000 ] - [ 0.0001648800000000, -0.0001275300000000, -0.0006809400000000 ] - [ -0.0000229000000000, 0.0001750500000000, -0.0002549100000000 ] - [ -0.0000124300000000, 0.0001759600000000, -0.0002552900000000 ] - [ -0.0074162000000000, 0.0064618500000000, -0.0068839000000000 ] - [ -0.0011071000000000, 0.0027204400000000, 0.0042870700000000 ] - [ 0.0001329500000000, 0.0000762200000000, -0.0005376400000000 ] - [ -0.0002289600000000, 0.0000080800000000, -0.0001551000000000 ] - [ -0.0001465300000000, 0.0001673200000000, -0.0005455300000000 ] - [ -0.0000956800000000, 0.0001691400000000, -0.0004796400000000 ] - [ 0.0000878500000000, 0.0002767500000000, -0.0003204800000000 ] - [ 0.0000909300000000, 0.0002788700000000, -0.0003151400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008049100000000, 0.0060813400000000, 0.0038040300000000 ] - [ -0.0006371300000000, 0.0051362200000000, 0.0033939300000000 ] - [ 0.0000055200000000, 0.0002747700000000, -0.0010916800000000 ] - [ 0.0000213000000000, 0.0002737400000000, -0.0010847500000000 ] - [ 0.0012253400000000, -0.0217790500000000, 0.0079793100000000 ] - [ -0.0005800100000000, -0.0005251900000000, 0.0019652700000000 ] - [ -0.0000049000000000, 0.0002809600000000, -0.0010921000000000 ] - [ -0.0000206700000000, 0.0002787100000000, -0.0010865600000000 ] - [ 0.0002178800000000, -0.0000175000000000, -0.0004236700000000 ] - [ 0.0002404800000000, -0.0000179300000000, -0.0004087300000000 ] - [ 0.0023292000000000, -0.0000719900000000, 0.0008159400000000 ] - [ -0.0012708600000000, 0.0001381200000000, 0.0006739400000000 ] - [ 0.0083872400000000, -0.0234655500000000, 0.0015210800000000 ] - [ -0.0013271000000000, -0.0005078300000000, 0.0008827500000000 ] - [ -0.0040324300000000, -0.0015568200000000, -0.0008245000000000 ] - [ 0.0037025100000000, 0.0012594000000000, 0.0002385700000000 ] - [ -0.0001903000000000, -0.0000293000000000, -0.0007869800000000 ] - [ -0.0003545000000000, -0.0000141100000000, -0.0004600600000000 ] - [ -0.0001639600000000, 0.0002296100000000, -0.0007792400000000 ] - [ -0.0001597600000000, 0.0002327600000000, -0.0007784900000000 ] - [ 0.0029185700000000, 0.0010161300000000, -0.0008481700000000 ] - [ -0.0017860300000000, -0.0006514900000000, -0.0004123400000000 ] - [ -0.0000110700000000, 0.0003232400000000, -0.0006718900000000 ] - [ 0.0000587600000000, 0.0003210700000000, -0.0006378500000000 ] - [ 0.0004276900000000, -0.0000059500000000, -0.0005185200000000 ] - [ 0.0001007500000000, -0.0000221300000000, -0.0006866100000000 ] - [ 0.0014629000000000, -0.0026612200000000, 0.0065441000000000 ] - [ -0.0014418300000000, -0.0003218100000000, 0.0051817300000000 ] - [ -0.0000724800000000, 0.0000158700000000, -0.0004058700000000 ] - [ 0.0007132100000000, -0.0000949000000000, -0.0004361700000000 ] - [ -0.0006094900000000, 0.0002099200000000, -0.0011788500000000 ] - [ 0.0000016200000000, -0.0000695700000000, -0.0004363500000000 ] - [ -0.0009391400000000, -0.0020975800000000, -0.0002922400000000 ] - [ 0.0002741700000000, -0.0001656800000000, 0.0007186400000000 ] - [ -0.0002300700000000, -0.0000175400000000, -0.0004461600000000 ] - [ -0.0002256300000000, -0.0000184800000000, -0.0004191400000000 ] - [ -0.0000097900000000, 0.0003283200000000, -0.0006831500000000 ] - [ -0.0000388700000000, 0.0003233900000000, -0.0006207800000000 ] - [ 0.0001621000000000, 0.0002294000000000, -0.0007747800000000 ] - [ 0.0001612300000000, 0.0002256800000000, -0.0007802900000000 ] - [ 0.0003495800000000, -0.0000250700000000, 0.0004987900000000 ] - [ -0.0003213100000000, -0.0001255000000000, 0.0003188200000000 ] - [ -0.0000053500000000, 0.0000033700000000, 0.0003160300000000 ] - [ 0.0000459100000000, -0.0000037800000000, 0.0002901900000000 ] - [ -0.0001610700000000, -0.0000377500000000, 0.0004001700000000 ] - [ 0.0001597500000000, -0.0000126200000000, 0.0000337000000000 ] - [ 0.0000122900000000, -0.0000147600000000, 0.0003076600000000 ] - [ -0.0000772900000000, -0.0000130300000000, 0.0003184500000000 ] - [ -0.0117615400000000, -0.0079776600000000, 0.0036197600000000 ] - [ 0.0002778600000000, -0.0003997600000000, -0.0001715800000000 ] - [ -0.0035566400000000, -0.0015868300000000, 0.0069180400000000 ] - [ 0.0011495700000000, 0.0001609000000000, -0.0008357900000000 ] - [ -0.0086213800000000, 0.0756300500000000, -0.0362571600000000 ] - [ 0.0013785000000000, -0.0000071800000000, -0.0015021600000000 ] - [ -0.0001601600000000, -0.0001326500000000, 0.0006791700000000 ] - [ -0.0001627700000000, -0.0001239800000000, 0.0006691400000000 ] - [ -0.0043903200000000, 0.0037382500000000, 0.0128415700000000 ] - [ 0.0004133900000000, -0.0002470300000000, -0.0007606600000000 ] - [ 0.0000164300000000, 0.0002428200000000, 0.0003303800000000 ] - [ 0.0001721500000000, 0.0002912000000000, 0.0003099800000000 ] - [ 0.0033965600000000, -0.0052069900000000, 0.0076451500000000 ] - [ -0.0005096100000000, -0.0005536000000000, -0.0010422000000000 ] - [ -0.0025209600000000, -0.0018406400000000, -0.0079487700000000 ] - [ 0.0002277100000000, 0.0000313800000000, -0.0005874600000000 ] - [ -0.0015953300000000, -0.0057896200000000, -0.0029833900000000 ] - [ 0.0000103000000000, 0.0002287600000000, -0.0019087400000000 ] - [ 0.0016258600000000, 0.0009409600000000, 0.0012111900000000 ] - [ 0.0010952500000000, 0.0014243800000000, -0.0024084400000000 ] - [ -0.0037320300000000, -0.0064201000000000, -0.0000264700000000 ] - [ 0.0015422100000000, -0.0005689300000000, -0.0007264700000000 ] - [ -0.0001372200000000, 0.0002200900000000, 0.0004279000000000 ] - [ -0.0001405700000000, 0.0002225400000000, 0.0004238800000000 ] - [ -0.0006379300000000, 0.0004989300000000, 0.0013272500000000 ] - [ 0.0002393900000000, -0.0000087700000000, -0.0001354000000000 ] - [ -0.0001589700000000, 0.0003119600000000, 0.0003312200000000 ] - [ -0.0000107300000000, 0.0002615900000000, 0.0003006400000000 ] - [ 0.0002286800000000, -0.0000798600000000, 0.0004161000000000 ] - [ 0.0002271400000000, -0.0000789000000000, 0.0004117100000000 ] - [ -0.0000452600000000, -0.0000367500000000, 0.0001755900000000 ] - [ -0.0000323200000000, -0.0000319400000000, 0.0001810800000000 ] - [ 0.0005418100000000, -0.0002567800000000, 0.0003050400000000 ] - [ -0.0003880200000000, -0.0005759100000000, 0.0004317400000000 ] - [ 0.0000409900000000, -0.0000411200000000, 0.0001815700000000 ] - [ 0.0000538000000000, -0.0000464500000000, 0.0001750300000000 ] - [ 0.0001270100000000, 0.0001520800000000, 0.0005012200000000 ] - [ 0.0001156300000000, 0.0001521200000000, 0.0005024700000000 ] - [ 0.0000428500000000, 0.0001986400000000, 0.0002858100000000 ] - [ -0.0000100300000000, 0.0001786500000000, 0.0002188000000000 ] - [ 0.0001675700000000, -0.0001230900000000, 0.0006752800000000 ] - [ 0.0001551400000000, -0.0001241400000000, 0.0006618600000000 ] - [ -0.0002374300000000, -0.0000883400000000, 0.0004158800000000 ] - [ -0.0002374100000000, -0.0000885700000000, 0.0004122400000000 ] - [ 0.0001940100000000, 0.0001617900000000, 0.0004907200000000 ] - [ 0.0001920800000000, 0.0001654100000000, 0.0004957700000000 ] - [ 0.0003343500000000, -0.0001082800000000, 0.0003423500000000 ] - [ -0.0004099000000000, -0.0001742900000000, 0.0000763100000000 ] - [ -0.0009085200000000, -0.0011830400000000, -0.0008446700000000 ] - [ 0.0001634600000000, -0.0011821500000000, -0.0008326900000000 ] - [ 0.0090778600000000, -0.0033592700000000, -0.0084415100000000 ] - [ 0.0007103500000000, -0.0001885400000000, -0.0004274900000000 ] - [ -0.0001896700000000, 0.0001635400000000, 0.0004915300000000 ] - [ -0.0001916600000000, 0.0001602100000000, 0.0004848100000000 ] - [ -0.0001208200000000, 0.0001597400000000, 0.0005016900000000 ] - [ -0.0001323100000000, 0.0001601000000000, 0.0005024200000000 ] - [ 0.0070763500000000, -0.0068972100000000, 0.0069037800000000 ] - [ 0.0008445900000000, -0.0031933100000000, -0.0041125900000000 ] - [ -0.0002696100000000, -0.0004154500000000, 0.0002773300000000 ] - [ 0.0000818600000000, -0.0003384800000000, -0.0000972900000000 ] - [ 0.0000013100000000, 0.0001641400000000, 0.0002873700000000 ] - [ -0.0000498300000000, 0.0001642000000000, 0.0002217400000000 ] - [ 0.0001455800000000, 0.0002270600000000, 0.0004277400000000 ] - [ 0.0001394700000000, 0.0002261800000000, 0.0004235300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0136612900000000, 0.0020743700000000, 0.0079873500000000 ] - [ -0.0172079600000000, -0.0004185500000000, 0.0233432800000000 ] - [ 0.0000479100000000, 0.0002745200000000, -0.0044253100000000 ] - [ 0.0000553900000000, 0.0002748700000000, -0.0044329000000000 ] - [ -0.0189090300000000, -0.0302385400000000, 0.0875929300000000 ] - [ 0.0035706800000000, 0.0009592400000000, 0.0116618600000000 ] - [ -0.0000506400000000, 0.0002736900000000, -0.0044432600000000 ] - [ -0.0000478800000000, 0.0002763100000000, -0.0044338000000000 ] - [ 0.0001493000000000, -0.0000064700000000, -0.0020335400000000 ] - [ 0.0001869000000000, -0.0000075700000000, -0.0019641100000000 ] - [ -0.0043800800000000, -0.0016322200000000, -0.0095859100000000 ] - [ 0.0037960300000000, 0.0011039500000000, 0.0001911900000000 ] - [ -0.0023404000000000, 0.0020750200000000, 0.0135317700000000 ] - [ 0.0045651000000000, -0.0006565200000000, 0.0095173900000000 ] - [ -0.0052431600000000, 0.0001993300000000, 0.0006120200000000 ] - [ 0.0062288100000000, 0.0002615800000000, 0.0006054400000000 ] - [ -0.0004899300000000, -0.0000330700000000, -0.0021669700000000 ] - [ -0.0001577000000000, -0.0000424100000000, -0.0019781600000000 ] - [ -0.0004516300000000, 0.0000877800000000, -0.0029867700000000 ] - [ -0.0004402500000000, 0.0000895600000000, -0.0029743700000000 ] - [ 0.0068872500000000, 0.0019041700000000, -0.0026904300000000 ] - [ -0.0052786400000000, -0.0009098200000000, -0.0019043300000000 ] - [ 0.0002715400000000, 0.0004706100000000, -0.0028152900000000 ] - [ 0.0003410200000000, 0.0004749500000000, -0.0028742600000000 ] - [ 0.0003701700000000, -0.0000298100000000, -0.0024928500000000 ] - [ 0.0002995100000000, -0.0000134900000000, -0.0021191300000000 ] - [ 0.0059274800000000, -0.0076855400000000, 0.0086195400000000 ] - [ -0.0042415300000000, -0.0026259600000000, 0.0131874100000000 ] - [ -0.0009560900000000, 0.0001810800000000, -0.0018958500000000 ] - [ 0.0016426600000000, -0.0000477400000000, -0.0019195400000000 ] - [ -0.0008975800000000, 0.0002473500000000, -0.0033484100000000 ] - [ 0.0002031900000000, -0.0002188800000000, -0.0015417400000000 ] - [ -0.0001440900000000, -0.0045062400000000, -0.0055917700000000 ] - [ 0.0002673000000000, 0.0004450900000000, 0.0011234100000000 ] - [ -0.0001453400000000, -0.0000088900000000, -0.0020408600000000 ] - [ -0.0001876800000000, -0.0000100300000000, -0.0019983400000000 ] - [ -0.0003465600000000, 0.0004602900000000, -0.0028638700000000 ] - [ -0.0002673900000000, 0.0004633900000000, -0.0028300800000000 ] - [ 0.0004387500000000, 0.0000890700000000, -0.0029771400000000 ] - [ 0.0004547600000000, 0.0000881500000000, -0.0029836400000000 ] - [ 0.0004085100000000, -0.0000469500000000, 0.0010297800000000 ] - [ -0.0002967700000000, -0.0000657600000000, 0.0014230500000000 ] - [ -0.0000240200000000, -0.0000279200000000, 0.0012699300000000 ] - [ 0.0001800600000000, -0.0000386400000000, 0.0012269800000000 ] - [ 0.0003628900000000, 0.0000369600000000, 0.0012802100000000 ] - [ -0.0007667300000000, 0.0000447200000000, 0.0013030300000000 ] - [ -0.0000189500000000, -0.0000462800000000, 0.0012627700000000 ] - [ -0.0001672300000000, -0.0000434100000000, 0.0012308700000000 ] - [ -0.0212420100000000, -0.0157799200000000, -0.0090590900000000 ] - [ -0.0013948600000000, 0.0011295100000000, -0.0075578200000000 ] - [ -0.0098853500000000, -0.0119238700000000, 0.0188200700000000 ] - [ 0.0003034300000000, -0.0001006600000000, -0.0035291500000000 ] - [ 0.0508151600000000, 0.0372090400000000, -0.1682030500000000 ] - [ 0.0018204500000000, 0.0014052500000000, -0.0072058300000000 ] - [ -0.0006945200000000, -0.0005738800000000, 0.0024754400000000 ] - [ -0.0007203900000000, -0.0005607400000000, 0.0024737100000000 ] - [ -0.0080514300000000, 0.0128848300000000, 0.0256274300000000 ] - [ 0.0013481600000000, -0.0008835000000000, -0.0033491400000000 ] - [ 0.0000739900000000, 0.0004194200000000, 0.0014879700000000 ] - [ 0.0000174500000000, 0.0003834100000000, 0.0014104800000000 ] - [ 0.0150373400000000, -0.0152198200000000, 0.0094809800000000 ] - [ -0.0046214500000000, 0.0023168600000000, -0.0024156500000000 ] - [ 0.0143184300000000, 0.0152724300000000, 0.0077180000000000 ] - [ -0.0032996300000000, -0.0018793000000000, -0.0015267100000000 ] - [ -0.0046812000000000, 0.0029247700000000, -0.0143605200000000 ] - [ -0.0045460900000000, 0.0018180400000000, -0.0094157200000000 ] - [ 0.0060176500000000, -0.0036731500000000, 0.0021833800000000 ] - [ -0.0034752700000000, -0.0014988900000000, -0.0017210700000000 ] - [ -0.0060722900000000, 0.0032094400000000, 0.0053724600000000 ] - [ -0.0002920500000000, -0.0008842400000000, -0.0037529500000000 ] - [ -0.0002164200000000, 0.0001348900000000, 0.0015689900000000 ] - [ -0.0002086600000000, 0.0001351500000000, 0.0015547100000000 ] - [ -0.0016406300000000, 0.0001670400000000, 0.0034059500000000 ] - [ 0.0005907000000000, 0.0000428500000000, 0.0001525800000000 ] - [ 0.0000430000000000, 0.0003240400000000, 0.0014819700000000 ] - [ -0.0000176800000000, 0.0003388000000000, 0.0014048100000000 ] - [ 0.0005204500000000, -0.0001500800000000, 0.0013211100000000 ] - [ 0.0005155300000000, -0.0001460800000000, 0.0013180500000000 ] - [ 0.0002505900000000, 0.0000317300000000, 0.0010908200000000 ] - [ 0.0002528000000000, 0.0000357300000000, 0.0010886400000000 ] - [ 0.0016631400000000, 0.0001420000000000, 0.0018976300000000 ] - [ -0.0011816500000000, -0.0009638000000000, 0.0013901000000000 ] - [ -0.0002513400000000, 0.0000350400000000, 0.0010903400000000 ] - [ -0.0002489700000000, 0.0000291400000000, 0.0010885000000000 ] - [ 0.0002953500000000, 0.0001171800000000, 0.0016585500000000 ] - [ 0.0002618100000000, 0.0001155000000000, 0.0016554800000000 ] - [ -0.0000904800000000, 0.0001725600000000, 0.0014012300000000 ] - [ -0.0002580900000000, 0.0001661500000000, 0.0014080800000000 ] - [ 0.0007163200000000, -0.0005596400000000, 0.0024551300000000 ] - [ 0.0006933500000000, -0.0005764700000000, 0.0024578500000000 ] - [ -0.0005193300000000, -0.0001487200000000, 0.0013211000000000 ] - [ -0.0005203500000000, -0.0001503600000000, 0.0013186000000000 ] - [ 0.0007367600000000, 0.0006034100000000, 0.0022684400000000 ] - [ 0.0007309600000000, 0.0006071700000000, 0.0022683700000000 ] - [ 0.0010929100000000, -0.0003260000000000, 0.0016713600000000 ] - [ -0.0008713400000000, -0.0001610500000000, 0.0007398500000000 ] - [ -0.0025049600000000, -0.0009585100000000, -0.0013399700000000 ] - [ 0.0026115800000000, -0.0009689300000000, -0.0013332800000000 ] - [ -0.0130293700000000, 0.0112180500000000, -0.0010688500000000 ] - [ 0.0036507500000000, -0.0022115900000000, -0.0049163700000000 ] - [ -0.0007310100000000, 0.0006085500000000, 0.0022726200000000 ] - [ -0.0007357900000000, 0.0006033900000000, 0.0022656300000000 ] - [ -0.0002699900000000, 0.0001225300000000, 0.0016604800000000 ] - [ -0.0003031200000000, 0.0001252400000000, 0.0016540400000000 ] - [ 0.0066560500000000, -0.0012427000000000, 0.0021104700000000 ] - [ -0.0055009900000000, 0.0030215500000000, 0.0031947500000000 ] - [ -0.0012456100000000, 0.0000527200000000, 0.0019069200000000 ] - [ 0.0007889700000000, -0.0006473600000000, 0.0005552200000000 ] - [ 0.0001881300000000, 0.0002366100000000, 0.0013852200000000 ] - [ 0.0000143300000000, 0.0002532000000000, 0.0014113300000000 ] - [ 0.0002164400000000, 0.0001382800000000, 0.0015691100000000 ] - [ 0.0002211400000000, 0.0001424100000000, 0.0015537200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0135850100000000, -0.0025303700000000, -0.0078953800000000 ] - [ 0.0170904300000000, -0.0000239200000000, -0.0230485500000000 ] - [ -0.0000486300000000, 0.0002709000000000, 0.0043948600000000 ] - [ -0.0000523400000000, 0.0002723600000000, 0.0043978300000000 ] - [ 0.0168719700000000, 0.0281778200000000, -0.0819649200000000 ] - [ -0.0035304000000000, -0.0014970800000000, -0.0115489300000000 ] - [ 0.0000510200000000, 0.0002751400000000, 0.0044118200000000 ] - [ 0.0000457100000000, 0.0002727900000000, 0.0043996300000000 ] - [ 0.0003421600000000, -0.0000360100000000, 0.0022018100000000 ] - [ 0.0003057300000000, -0.0000354700000000, 0.0021328000000000 ] - [ 0.0048824500000000, 0.0017098600000000, 0.0097785700000000 ] - [ -0.0032507100000000, -0.0010407200000000, -0.0000282800000000 ] - [ 0.0020524900000000, -0.0021695900000000, -0.0138460600000000 ] - [ -0.0046457300000000, 0.0000928100000000, -0.0095693500000000 ] - [ 0.0047181200000000, -0.0001789800000000, -0.0004447500000000 ] - [ -0.0067884900000000, -0.0002713800000000, -0.0005012200000000 ] - [ -0.0000019700000000, -0.0000092600000000, 0.0019660300000000 ] - [ -0.0003365000000000, 0.0000000900000000, 0.0017763600000000 ] - [ 0.0003113900000000, 0.0004664300000000, 0.0028354700000000 ] - [ 0.0003006300000000, 0.0004666800000000, 0.0028236700000000 ] - [ -0.0069405400000000, -0.0024297500000000, 0.0027960300000000 ] - [ 0.0050748500000000, 0.0003397600000000, 0.0020176700000000 ] - [ -0.0004060300000000, 0.0000879700000000, 0.0029227100000000 ] - [ -0.0004737500000000, 0.0000839300000000, 0.0029822700000000 ] - [ 0.0001236100000000, -0.0000132700000000, 0.0022962500000000 ] - [ 0.0001927800000000, -0.0000292400000000, 0.0019205600000000 ] - [ -0.0053349500000000, 0.0069518000000000, -0.0089364000000000 ] - [ 0.0043432500000000, 0.0020496700000000, -0.0132201900000000 ] - [ 0.0014344300000000, -0.0001375300000000, 0.0017013600000000 ] - [ -0.0011365500000000, 0.0000901400000000, 0.0017259100000000 ] - [ 0.0003973900000000, -0.0002019600000000, 0.0031329500000000 ] - [ -0.0006880100000000, 0.0002586800000000, 0.0013492700000000 ] - [ 0.0002756200000000, 0.0038971900000000, 0.0056800500000000 ] - [ -0.0001251200000000, -0.0009939900000000, -0.0009690500000000 ] - [ -0.0003470900000000, -0.0000329800000000, 0.0022091100000000 ] - [ -0.0003033900000000, -0.0000319500000000, 0.0021660300000000 ] - [ 0.0004817600000000, 0.0000978500000000, 0.0029714600000000 ] - [ 0.0004011400000000, 0.0000958400000000, 0.0029383100000000 ] - [ -0.0002984800000000, 0.0004670100000000, 0.0028276200000000 ] - [ -0.0003152000000000, 0.0004671900000000, 0.0028325600000000 ] - [ -0.0004069900000000, 0.0000477400000000, -0.0010181600000000 ] - [ 0.0002956700000000, 0.0000685500000000, -0.0014132000000000 ] - [ 0.0000229000000000, 0.0000279700000000, -0.0012600600000000 ] - [ -0.0001775100000000, 0.0000386700000000, -0.0012185900000000 ] - [ -0.0003622200000000, -0.0000368500000000, -0.0012696600000000 ] - [ 0.0007679700000000, -0.0000446000000000, -0.0012930000000000 ] - [ 0.0000191500000000, 0.0000460100000000, -0.0012531200000000 ] - [ 0.0001653500000000, 0.0000430300000000, -0.0012229900000000 ] - [ 0.0212132700000000, 0.0156638900000000, 0.0090294400000000 ] - [ 0.0016468800000000, -0.0010142700000000, 0.0077135100000000 ] - [ 0.0099437800000000, 0.0118260100000000, -0.0189612100000000 ] - [ -0.0004603600000000, -0.0002287600000000, 0.0037557500000000 ] - [ -0.0490770900000000, -0.0362114100000000, 0.1625769700000000 ] - [ -0.0018379800000000, -0.0014279800000000, 0.0069575000000000 ] - [ 0.0007154500000000, 0.0006054100000000, -0.0022636500000000 ] - [ 0.0007396500000000, 0.0005911400000000, -0.0022568700000000 ] - [ 0.0079490700000000, -0.0127170600000000, -0.0249506600000000 ] - [ -0.0013065100000000, 0.0008395200000000, 0.0035006700000000 ] - [ 0.0001587600000000, 0.0000862300000000, -0.0015876200000000 ] - [ 0.0002143700000000, 0.0001224900000000, -0.0015096500000000 ] - [ -0.0149820700000000, 0.0150254800000000, -0.0095499400000000 ] - [ 0.0043190100000000, -0.0021910000000000, 0.0021591700000000 ] - [ -0.0138959800000000, -0.0149892000000000, -0.0078875800000000 ] - [ 0.0035449900000000, 0.0019811000000000, 0.0012755400000000 ] - [ 0.0046297500000000, -0.0029354400000000, 0.0140292400000000 ] - [ 0.0045328800000000, -0.0018536900000000, 0.0091554800000000 ] - [ -0.0058040800000000, 0.0032152100000000, -0.0020886200000000 ] - [ 0.0036677200000000, 0.0009337500000000, 0.0018858600000000 ] - [ 0.0062357200000000, -0.0036079000000000, -0.0051121300000000 ] - [ 0.0004271100000000, 0.0005489300000000, 0.0039810100000000 ] - [ -0.0000178800000000, 0.0003696000000000, -0.0014473400000000 ] - [ -0.0000242200000000, 0.0003694000000000, -0.0014329700000000 ] - [ 0.0017690100000000, -0.0004911900000000, -0.0036236200000000 ] - [ -0.0004360300000000, -0.0003694400000000, -0.0004068300000000 ] - [ -0.0002753100000000, 0.0001823700000000, -0.0015826500000000 ] - [ -0.0002151900000000, 0.0001674800000000, -0.0015051600000000 ] - [ -0.0002526000000000, 0.0000371900000000, -0.0010796400000000 ] - [ -0.0002525600000000, 0.0000370500000000, -0.0010806600000000 ] - [ -0.0005119100000000, -0.0001440400000000, -0.0013128600000000 ] - [ -0.0005096800000000, -0.0001420100000000, -0.0013091300000000 ] - [ -0.0014119900000000, -0.0006444500000000, -0.0019918300000000 ] - [ 0.0013984300000000, 0.0004485600000000, -0.0014874000000000 ] - [ 0.0005219700000000, -0.0001534500000000, -0.0013134700000000 ] - [ 0.0005234300000000, -0.0001539200000000, -0.0013118400000000 ] - [ -0.0001465600000000, 0.0002114200000000, -0.0013942400000000 ] - [ -0.0001138800000000, 0.0002128500000000, -0.0013920800000000 ] - [ 0.0002360000000000, 0.0001595600000000, -0.0016413200000000 ] - [ 0.0004048100000000, 0.0001656900000000, -0.0016488400000000 ] - [ -0.0007400500000000, 0.0005924700000000, -0.0022508200000000 ] - [ -0.0007152200000000, 0.0006087300000000, -0.0022497800000000 ] - [ 0.0002401900000000, 0.0000254800000000, -0.0010784600000000 ] - [ 0.0002424600000000, 0.0000270000000000, -0.0010791900000000 ] - [ -0.0007028200000000, -0.0005626800000000, -0.0024418200000000 ] - [ -0.0006986400000000, -0.0005653900000000, -0.0024394100000000 ] - [ -0.0013119000000000, -0.0001765100000000, -0.0017691100000000 ] - [ 0.0006291800000000, -0.0003405200000000, -0.0008482500000000 ] - [ 0.0024509800000000, 0.0009060000000000, 0.0015006600000000 ] - [ -0.0026128000000000, 0.0009120700000000, 0.0015064500000000 ] - [ 0.0127031900000000, -0.0110497700000000, 0.0011715600000000 ] - [ -0.0038927900000000, 0.0023055200000000, 0.0050866200000000 ] - [ 0.0007011500000000, -0.0005684300000000, -0.0024504900000000 ] - [ 0.0007050800000000, -0.0005648500000000, -0.0024474800000000 ] - [ 0.0001210800000000, 0.0002079200000000, -0.0013972800000000 ] - [ 0.0001541200000000, 0.0002058100000000, -0.0013912500000000 ] - [ -0.0068138800000000, 0.0006765100000000, -0.0019393400000000 ] - [ 0.0051702100000000, -0.0034063200000000, -0.0029335400000000 ] - [ 0.0010872100000000, -0.0003860900000000, -0.0021420500000000 ] - [ -0.0009277500000000, 0.0003131900000000, -0.0008073400000000 ] - [ -0.0003332400000000, 0.0000919800000000, -0.0016267700000000 ] - [ -0.0001594400000000, 0.0000759900000000, -0.0016523500000000 ] - [ 0.0000189500000000, 0.0003654200000000, -0.0014467900000000 ] - [ 0.0000121600000000, 0.0003623800000000, -0.0014312100000000 ]- atom: 59 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000272800000000, -0.0002708600000000, 0.0002115300000000 ] - [ 0.0000322900000000, -0.0002801800000000, 0.0001897100000000 ] - [ -0.0039750600000000, 0.0009564600000000, -0.0032487100000000 ] - [ 0.0046334600000000, -0.0004427600000000, 0.0047468100000000 ] - [ 0.0000372500000000, -0.0002728600000000, 0.0001744900000000 ] - [ -0.0000185700000000, -0.0002821100000000, 0.0001545400000000 ] - [ 0.0046692500000000, 0.0013981300000000, -0.0069450000000000 ] - [ -0.0040707900000000, -0.0007514100000000, 0.0060998300000000 ] - [ 0.0002954900000000, 0.0000137100000000, 0.0000484000000000 ] - [ 0.0002051000000000, -0.0000565900000000, 0.0002792200000000 ] - [ 0.0015102500000000, 0.0000477900000000, 0.0021695300000000 ] - [ -0.0012276600000000, -0.0000179400000000, -0.0004867500000000 ] - [ 0.0002758700000000, -0.0003275400000000, 0.0003242300000000 ] - [ -0.0004050000000000, -0.0002487300000000, -0.0001849600000000 ] - [ -0.0017573800000000, 0.0000512000000000, 0.0008259900000000 ] - [ 0.0010492000000000, -0.0001063700000000, -0.0016761400000000 ] - [ 0.0194607400000000, 0.0063603800000000, -0.0169876500000000 ] - [ -0.0093107000000000, 0.0027960000000000, -0.0026096700000000 ] - [ 0.0005168700000000, -0.0001513500000000, -0.0003143100000000 ] - [ -0.0005726800000000, 0.0006394900000000, 0.0004676000000000 ] - [ -0.0000867600000000, -0.0002702000000000, 0.0001844000000000 ] - [ -0.0000831300000000, -0.0002679800000000, 0.0001774800000000 ] - [ -0.0079039700000000, -0.0006122100000000, -0.0034824900000000 ] - [ 0.0089220700000000, -0.0041121300000000, -0.0044439400000000 ] - [ 0.0279606500000000, 0.0117240400000000, 0.0194780100000000 ] - [ -0.0086483500000000, 0.0021876600000000, 0.0014984200000000 ] - [ 0.0003984500000000, -0.0002483900000000, -0.0001931900000000 ] - [ -0.0003124600000000, -0.0003043600000000, 0.0003010400000000 ] - [ 0.0002449000000000, 0.0000203500000000, -0.0000045400000000 ] - [ 0.0002451600000000, 0.0000212300000000, -0.0000064000000000 ] - [ -0.0002448200000000, 0.0000207300000000, -0.0000069000000000 ] - [ -0.0002427800000000, 0.0000215700000000, -0.0000017300000000 ] - [ 0.0000875800000000, -0.0002709700000000, 0.0001838700000000 ] - [ 0.0000864700000000, -0.0002705900000000, 0.0001775000000000 ] - [ -0.0003550600000000, 0.0000066900000000, 0.0001103700000000 ] - [ -0.0001450300000000, -0.0000491900000000, 0.0002670100000000 ] - [ 0.0031595500000000, 0.0084475800000000, -0.0046235000000000 ] - [ -0.0061901100000000, -0.0005295600000000, 0.0014467100000000 ] - [ 0.0008772500000000, 0.0006907000000000, 0.0003759800000000 ] - [ -0.0006851400000000, -0.0000575700000000, -0.0002120700000000 ] - [ 0.0029168000000000, -0.0002052100000000, -0.0012884600000000 ] - [ -0.0011243600000000, 0.0017422000000000, 0.0026849000000000 ] - [ 0.0000027800000000, 0.0000013300000000, -0.0000527800000000 ] - [ -0.0000088800000000, 0.0000027800000000, -0.0000496800000000 ] - [ -0.0010247600000000, 0.0012758300000000, -0.0026966300000000 ] - [ 0.0024124800000000, -0.0001529800000000, 0.0011789100000000 ] - [ 0.0000025300000000, 0.0000012800000000, -0.0000524100000000 ] - [ 0.0000034500000000, 0.0000021300000000, -0.0000507500000000 ] - [ 0.0001088900000000, 0.0000496900000000, 0.0000552700000000 ] - [ 0.0001150000000000, 0.0000545900000000, 0.0000789200000000 ] - [ -0.0010487500000000, -0.0004932600000000, 0.0000228100000000 ] - [ 0.0005771700000000, 0.0000216200000000, 0.0000657800000000 ] - [ -0.0001048900000000, 0.0000819100000000, -0.0001315500000000 ] - [ 0.0001611600000000, -0.0000752700000000, -0.0001897200000000 ] - [ 0.0014434900000000, -0.0072312100000000, 0.0068211100000000 ] - [ 0.0094508800000000, -0.0009405900000000, -0.0052205100000000 ] - [ 0.0000408200000000, -0.0000376000000000, -0.0000062000000000 ] - [ 0.0000444500000000, -0.0000428200000000, 0.0000028800000000 ] - [ -0.0924053200000000, -0.0279170100000000, 0.0061615500000000 ] - [ 0.0080695300000000, 0.0011849900000000, -0.0003087600000000 ] - [ -0.0001564800000000, 0.0000645900000000, -0.0001702600000000 ] - [ -0.0001382600000000, 0.0000528300000000, -0.0001643600000000 ] - [ 0.0001486600000000, 0.0000648600000000, -0.0001648000000000 ] - [ 0.0001663000000000, 0.0000766500000000, -0.0001698500000000 ] - [ -0.0001343200000000, -0.0000633900000000, -0.0002460400000000 ] - [ 0.0001296900000000, 0.0000873300000000, -0.0001849000000000 ] - [ 0.0003472400000000, -0.0004235800000000, -0.0004414800000000 ] - [ 0.0003473300000000, -0.0003308800000000, 0.0003797700000000 ] - [ -0.0009934400000000, 0.0002408300000000, 0.0000557600000000 ] - [ 0.0007344200000000, -0.0003795000000000, 0.0000511400000000 ] - [ -0.0000170600000000, 0.0003155700000000, 0.0000632700000000 ] - [ -0.0001844100000000, 0.0001975700000000, -0.0000696500000000 ] - [ 0.0000804300000000, -0.0001662700000000, -0.0001891400000000 ] - [ 0.0000800900000000, -0.0001654500000000, -0.0001897100000000 ] - [ -0.0146809800000000, 0.0058715600000000, -0.0000752000000000 ] - [ 0.0041769400000000, -0.0005307200000000, 0.0004964200000000 ] - [ 0.0003772100000000, -0.0004540800000000, 0.0011713700000000 ] - [ -0.0001354100000000, 0.0000626900000000, -0.0009323400000000 ] - [ -0.0043128100000000, -0.0005681300000000, -0.0013729300000000 ] - [ 0.0030195900000000, 0.0012172500000000, 0.0009106700000000 ] - [ 0.0001185100000000, -0.0002472000000000, -0.0001183800000000 ] - [ 0.0001221500000000, -0.0002478900000000, -0.0001193600000000 ] - [ -0.0044367900000000, 0.0000580800000000, 0.0014129100000000 ] - [ 0.0030998400000000, -0.0013751600000000, -0.0013056700000000 ] - [ -0.0001706500000000, 0.0002105900000000, 0.0000056100000000 ] - [ 0.0002682100000000, 0.0001193800000000, 0.0001079100000000 ] - [ 0.0036130600000000, 0.0031597300000000, 0.0040299200000000 ] - [ 0.0033708700000000, 0.0013594400000000, -0.0030785100000000 ] - [ 0.0038493600000000, 0.0010075600000000, 0.0036642700000000 ] - [ 0.0012446300000000, 0.0015359500000000, -0.0058458700000000 ] - [ 0.0001190800000000, 0.0002132400000000, 0.0008530200000000 ] - [ -0.0004322400000000, -0.0001338000000000, -0.0008216100000000 ] - [ -0.0005600900000000, -0.0004370900000000, -0.0012904900000000 ] - [ 0.0006154400000000, 0.0003180000000000, 0.0006661000000000 ] - [ -0.0001216500000000, -0.0002479100000000, -0.0001193900000000 ] - [ -0.0001172700000000, -0.0002467900000000, -0.0001197000000000 ] - [ -0.0000432300000000, -0.0000418500000000, -0.0000148300000000 ] - [ -0.0000461700000000, -0.0000482900000000, -0.0000083500000000 ] - [ -0.0001244800000000, 0.0000574300000000, 0.0000552600000000 ] - [ -0.0001329300000000, 0.0000642900000000, 0.0000821500000000 ] - [ -0.0005837600000000, 0.0004507200000000, 0.0014442000000000 ] - [ 0.0007348000000000, -0.0004893200000000, -0.0013803600000000 ] - [ -0.0003110600000000, 0.0001400000000000, 0.0001880200000000 ] - [ 0.0001448400000000, 0.0002120900000000, -0.0000527800000000 ] - [ 0.0002039600000000, -0.0001435300000000, -0.0004317600000000 ] - [ 0.0001543900000000, -0.0000265200000000, 0.0004281200000000 ] - [ -0.0000800000000000, -0.0001650100000000, -0.0001896200000000 ] - [ -0.0000815300000000, -0.0001639300000000, -0.0001904400000000 ] - [ 0.0200238800000000, -0.0007060100000000, -0.0001420400000000 ] - [ 0.0224161400000000, -0.0023967300000000, 0.0020619100000000 ] - [ 0.0001253300000000, 0.0002973700000000, 0.0000758600000000 ] - [ 0.0001250700000000, 0.0002191400000000, -0.0000932100000000 ]- atom: 59 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000223900000000, -0.0002800800000000, -0.0002123500000000 ] - [ -0.0000288400000000, -0.0002701600000000, -0.0001965500000000 ] - [ 0.0039731500000000, -0.0004101100000000, 0.0032242700000000 ] - [ -0.0046252400000000, 0.0009966100000000, -0.0047479600000000 ] - [ -0.0000358600000000, -0.0002823700000000, -0.0001797900000000 ] - [ 0.0000209100000000, -0.0002727200000000, -0.0001609500000000 ] - [ -0.0046675800000000, -0.0008506900000000, 0.0069500500000000 ] - [ 0.0040686100000000, 0.0013156300000000, -0.0061512300000000 ] - [ 0.0002002800000000, -0.0000574300000000, 0.0001295600000000 ] - [ 0.0002904600000000, 0.0000119200000000, -0.0000985300000000 ] - [ -0.0010160700000000, -0.0000061700000000, -0.0019919000000000 ] - [ 0.0017251600000000, 0.0000602000000000, 0.0006696800000000 ] - [ -0.0004159100000000, -0.0002261000000000, -0.0004498000000000 ] - [ 0.0002661300000000, -0.0003055100000000, 0.0000603300000000 ] - [ 0.0012653500000000, -0.0000088100000000, -0.0006446300000000 ] - [ -0.0015463900000000, 0.0001473500000000, 0.0018604100000000 ] - [ -0.0206915300000000, -0.0072310200000000, 0.0174753400000000 ] - [ 0.0088061400000000, -0.0027848000000000, 0.0024210100000000 ] - [ -0.0006563500000000, 0.0007042000000000, 0.0001892900000000 ] - [ 0.0004308300000000, -0.0000829400000000, -0.0005966100000000 ] - [ -0.0000489600000000, -0.0002877500000000, -0.0000639500000000 ] - [ -0.0000581100000000, -0.0002845700000000, -0.0000609900000000 ] - [ 0.0077618000000000, 0.0011752700000000, 0.0036547900000000 ] - [ -0.0085639300000000, 0.0043172300000000, 0.0040425500000000 ] - [ -0.0267292700000000, -0.0108503600000000, -0.0189849800000000 ] - [ 0.0091459800000000, -0.0022700100000000, -0.0016779000000000 ] - [ -0.0002588900000000, -0.0003056900000000, 0.0000685600000000 ] - [ 0.0004519200000000, -0.0002496200000000, -0.0004261400000000 ] - [ 0.0002474000000000, 0.0000203300000000, -0.0001791700000000 ] - [ 0.0002540500000000, 0.0000213400000000, -0.0001806400000000 ] - [ -0.0002541000000000, 0.0000214900000000, -0.0001801500000000 ] - [ -0.0002491800000000, 0.0000209800000000, -0.0001821800000000 ] - [ 0.0000479100000000, -0.0002853900000000, -0.0000623600000000 ] - [ 0.0000567100000000, -0.0002836100000000, -0.0000610400000000 ] - [ -0.0001427200000000, -0.0000457800000000, 0.0000687000000000 ] - [ -0.0003473100000000, 0.0000090600000000, -0.0000875600000000 ] - [ -0.0031997700000000, -0.0078141800000000, 0.0046133500000000 ] - [ 0.0063389000000000, 0.0010245200000000, -0.0012844800000000 ] - [ -0.0007355600000000, -0.0001373800000000, -0.0004997600000000 ] - [ 0.0008242300000000, 0.0006090700000000, 0.0000852600000000 ] - [ -0.0029073700000000, 0.0002084700000000, 0.0012872400000000 ] - [ 0.0011265700000000, -0.0017411100000000, -0.0026834600000000 ] - [ -0.0000022100000000, -0.0000013200000000, 0.0000546000000000 ] - [ 0.0000095400000000, -0.0000027700000000, 0.0000518600000000 ] - [ 0.0010196300000000, -0.0012769100000000, 0.0027109500000000 ] - [ -0.0024240700000000, 0.0001501600000000, -0.0011832800000000 ] - [ -0.0000029800000000, -0.0000010200000000, 0.0000544600000000 ] - [ -0.0000035000000000, -0.0000024300000000, 0.0000521800000000 ] - [ 0.0001622100000000, 0.0000696300000000, 0.0001816900000000 ] - [ 0.0001522500000000, 0.0000586700000000, 0.0001561600000000 ] - [ 0.0009056300000000, 0.0001595400000000, 0.0002302800000000 ] - [ -0.0007222100000000, -0.0003582800000000, 0.0001879700000000 ] - [ 0.0000753400000000, -0.0001204500000000, -0.0000479200000000 ] - [ -0.0001898600000000, 0.0000384500000000, 0.0000056000000000 ] - [ -0.0014166200000000, 0.0072620900000000, -0.0066488900000000 ] - [ -0.0095054100000000, 0.0010097800000000, 0.0054536400000000 ] - [ -0.0000141200000000, 0.0000020600000000, 0.0001928000000000 ] - [ -0.0000195100000000, 0.0000077300000000, 0.0001891900000000 ] - [ 0.0921720800000000, 0.0286535000000000, -0.0070403900000000 ] - [ -0.0078394600000000, -0.0006748300000000, 0.0001864300000000 ] - [ -0.0001127100000000, 0.0000543700000000, -0.0000642700000000 ] - [ -0.0001267400000000, 0.0000610500000000, -0.0000678700000000 ] - [ 0.0001276100000000, 0.0000584400000000, -0.0000695900000000 ] - [ 0.0001111200000000, 0.0000508400000000, -0.0000637900000000 ] - [ 0.0001678400000000, 0.0000242100000000, 0.0000701600000000 ] - [ -0.0000991000000000, -0.0001274600000000, 0.0000103000000000 ] - [ -0.0001164300000000, -0.0000790500000000, 0.0005579800000000 ] - [ -0.0001161800000000, -0.0001737600000000, -0.0002642600000000 ] - [ 0.0011409200000000, -0.0005753700000000, 0.0001979800000000 ] - [ -0.0005901000000000, 0.0000472700000000, 0.0002039400000000 ] - [ -0.0002168200000000, 0.0001886100000000, 0.0000527300000000 ] - [ -0.0000453700000000, 0.0003073100000000, 0.0001858500000000 ] - [ 0.0000631500000000, -0.0001705900000000, -0.0000607400000000 ] - [ 0.0000652100000000, -0.0001697200000000, -0.0000616700000000 ] - [ 0.0145067700000000, -0.0053832900000000, -0.0000584600000000 ] - [ -0.0044135300000000, 0.0010328700000000, -0.0006309800000000 ] - [ -0.0001158100000000, 0.0003462900000000, -0.0009332800000000 ] - [ 0.0004028700000000, -0.0001783600000000, 0.0011676100000000 ] - [ 0.0040488900000000, 0.0004564600000000, 0.0011438400000000 ] - [ -0.0032812400000000, -0.0013209900000000, -0.0011436300000000 ] - [ 0.0001137800000000, -0.0002569900000000, 0.0000072800000000 ] - [ 0.0001092800000000, -0.0002569800000000, 0.0000077000000000 ] - [ 0.0047167800000000, -0.0001816700000000, -0.0016495700000000 ] - [ -0.0028185200000000, 0.0012442900000000, 0.0010719200000000 ] - [ 0.0003159400000000, 0.0001212800000000, 0.0002498900000000 ] - [ -0.0001241200000000, 0.0002131300000000, 0.0001463300000000 ] - [ -0.0034307400000000, -0.0028019300000000, -0.0042862000000000 ] - [ -0.0032732000000000, -0.0010473000000000, 0.0028545100000000 ] - [ -0.0038268400000000, -0.0009432400000000, -0.0034769700000000 ] - [ -0.0012611200000000, -0.0015092900000000, 0.0059773500000000 ] - [ -0.0004083300000000, -0.0003482000000000, -0.0006132200000000 ] - [ 0.0001542200000000, 0.0000087200000000, 0.0010557500000000 ] - [ 0.0005936500000000, 0.0004721100000000, 0.0011117900000000 ] - [ -0.0005843600000000, -0.0002762400000000, -0.0008359400000000 ] - [ -0.0001104200000000, -0.0002571900000000, 0.0000073900000000 ] - [ -0.0001135600000000, -0.0002575000000000, 0.0000071600000000 ] - [ 0.0000127900000000, 0.0000053600000000, 0.0001953900000000 ] - [ 0.0000202500000000, 0.0000100900000000, 0.0001914900000000 ] - [ -0.0001533800000000, 0.0000662900000000, 0.0001817700000000 ] - [ -0.0001450700000000, 0.0000628900000000, 0.0001545600000000 ] - [ 0.0005590900000000, -0.0004122600000000, -0.0016304900000000 ] - [ -0.0007646800000000, 0.0005268900000000, 0.0011962100000000 ] - [ 0.0001672700000000, 0.0001951100000000, 0.0000651600000000 ] - [ -0.0002900300000000, 0.0001242700000000, 0.0003073100000000 ] - [ -0.0004365700000000, -0.0003617000000000, 0.0005475700000000 ] - [ -0.0003860400000000, -0.0004775600000000, -0.0003130300000000 ] - [ -0.0000630500000000, -0.0001690800000000, -0.0000603400000000 ] - [ -0.0000621700000000, -0.0001673900000000, -0.0000619200000000 ] - [ -0.0205951800000000, 0.0010310400000000, -0.0000891600000000 ] - [ -0.0220325200000000, 0.0026884700000000, -0.0022837900000000 ] - [ 0.0001076600000000, 0.0002067100000000, 0.0000396400000000 ] - [ 0.0001061300000000, 0.0002858100000000, 0.0002099500000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000021100000000, -0.0002825300000000, -0.0001860900000000 ] - [ 0.0000129200000000, -0.0002808400000000, -0.0002018700000000 ] - [ 0.0015716500000000, -0.0003130400000000, 0.0017783600000000 ] - [ -0.0006243200000000, 0.0003973500000000, 0.0009326600000000 ] - [ 0.0000201300000000, -0.0002824700000000, -0.0002345900000000 ] - [ -0.0000056200000000, -0.0002827500000000, -0.0002357300000000 ] - [ -0.0014482200000000, -0.0004078700000000, 0.0016655500000000 ] - [ 0.0014451000000000, 0.0012282200000000, -0.0049477800000000 ] - [ 0.0002684800000000, -0.0000438000000000, 0.0000407200000000 ] - [ 0.0002275400000000, -0.0000181900000000, -0.0000469300000000 ] - [ 0.0008304600000000, -0.0001048300000000, 0.0012411000000000 ] - [ -0.0003560100000000, 0.0000212700000000, 0.0001359400000000 ] - [ 0.0000428400000000, -0.0003195200000000, -0.0001579900000000 ] - [ -0.0002024400000000, -0.0002916700000000, -0.0002805000000000 ] - [ -0.0007215200000000, 0.0000938600000000, 0.0000789600000000 ] - [ 0.0001799200000000, -0.0001997200000000, -0.0013676400000000 ] - [ 0.0131418400000000, 0.0148536700000000, -0.0187193100000000 ] - [ -0.0026037000000000, -0.0005003800000000, 0.0001628800000000 ] - [ -0.0001304400000000, 0.0003785400000000, -0.0000650500000000 ] - [ -0.0000371200000000, 0.0001431700000000, -0.0003899800000000 ] - [ -0.0000369000000000, -0.0002954900000000, -0.0000715900000000 ] - [ -0.0000463900000000, -0.0002901900000000, -0.0000784700000000 ] - [ 0.0003610100000000, 0.0008689100000000, -0.0014083100000000 ] - [ 0.0026428700000000, 0.0124577200000000, 0.0087877800000000 ] - [ 0.0160771600000000, 0.0161395000000000, 0.0237066800000000 ] - [ -0.0020478600000000, 0.0003473900000000, 0.0005181100000000 ] - [ 0.0001777700000000, -0.0002252900000000, -0.0002868100000000 ] - [ -0.0000068600000000, -0.0002464800000000, -0.0001063400000000 ] - [ 0.0002516500000000, 0.0000209300000000, -0.0002046500000000 ] - [ 0.0002624900000000, 0.0000219900000000, -0.0002141800000000 ] - [ -0.0002593600000000, 0.0000219900000000, -0.0002114100000000 ] - [ -0.0002523400000000, 0.0000214600000000, -0.0002052800000000 ] - [ 0.0000380900000000, -0.0002947000000000, -0.0000713800000000 ] - [ 0.0000435800000000, -0.0002920500000000, -0.0000780700000000 ] - [ -0.0002044700000000, -0.0000124200000000, 0.0000079800000000 ] - [ -0.0002969600000000, -0.0000048500000000, -0.0000032100000000 ] - [ 0.0056811600000000, -0.0031767600000000, -0.0004625700000000 ] - [ -0.0007764400000000, -0.0008506600000000, 0.0022286000000000 ] - [ -0.0002095100000000, 0.0001970200000000, -0.0002848600000000 ] - [ 0.0003860700000000, 0.0003978400000000, -0.0001990100000000 ] - [ 0.0023091600000000, -0.0001537000000000, -0.0013380800000000 ] - [ -0.0012327600000000, 0.0021759000000000, 0.0002049500000000 ] - [ -0.0000014800000000, 0.0000001200000000, 0.0000642200000000 ] - [ 0.0000070800000000, -0.0000018800000000, 0.0000597800000000 ] - [ -0.0013249500000000, 0.0015652100000000, 0.0001265100000000 ] - [ 0.0025705300000000, -0.0000910000000000, 0.0012422700000000 ] - [ -0.0000051100000000, -0.0000028800000000, 0.0000636700000000 ] - [ -0.0000010200000000, -0.0000026400000000, 0.0000598300000000 ] - [ 0.0001543700000000, 0.0000659700000000, 0.0001674700000000 ] - [ 0.0001557700000000, 0.0000620600000000, 0.0001741400000000 ] - [ -0.0004847200000000, -0.0003923400000000, 0.0002080600000000 ] - [ 0.0001220300000000, -0.0002768200000000, 0.0001966100000000 ] - [ -0.0000989000000000, -0.0000081200000000, 0.0000508200000000 ] - [ -0.0000082500000000, -0.0000558600000000, 0.0000099700000000 ] - [ -0.0004878400000000, 0.0066907300000000, -0.0008339500000000 ] - [ -0.0098999100000000, 0.0029646900000000, 0.0033592000000000 ] - [ -0.0000257000000000, 0.0000173300000000, 0.0002360500000000 ] - [ -0.0000251300000000, 0.0000129600000000, 0.0002449200000000 ] - [ -0.0282940000000000, -0.0866467400000000, -0.0110803400000000 ] - [ 0.0010473100000000, 0.0011380000000000, -0.0002426300000000 ] - [ -0.0001265900000000, 0.0000629800000000, -0.0000568300000000 ] - [ -0.0001210000000000, 0.0000594000000000, -0.0000587500000000 ] - [ 0.0001267300000000, 0.0000664300000000, -0.0000546700000000 ] - [ 0.0001318900000000, 0.0000706600000000, -0.0000563100000000 ] - [ -0.0000010800000000, -0.0000761700000000, -0.0000467500000000 ] - [ 0.0000806100000000, -0.0000269000000000, -0.0000295900000000 ] - [ 0.0001992500000000, -0.0004413500000000, -0.0000098900000000 ] - [ 0.0002948900000000, -0.0004414100000000, 0.0002223300000000 ] - [ -0.0003961300000000, 0.0002316400000000, 0.0001907100000000 ] - [ 0.0003143100000000, -0.0000719100000000, 0.0001289500000000 ] - [ -0.0001852200000000, 0.0002122900000000, 0.0001274500000000 ] - [ -0.0000662700000000, 0.0002596400000000, 0.0001431600000000 ] - [ 0.0000674000000000, -0.0001585000000000, -0.0000452600000000 ] - [ 0.0000675200000000, -0.0001608400000000, -0.0000458600000000 ] - [ -0.0057527300000000, 0.0401224400000000, 0.0004117600000000 ] - [ 0.0006577100000000, -0.0000512700000000, -0.0001588300000000 ] - [ 0.0000457500000000, 0.0000835900000000, -0.0002479100000000 ] - [ 0.0008152600000000, -0.0007680400000000, 0.0003731900000000 ] - [ 0.0014443600000000, -0.0003249300000000, 0.0005843300000000 ] - [ -0.0013379100000000, -0.0010932700000000, -0.0003887300000000 ] - [ 0.0001156900000000, -0.0002539300000000, 0.0000290900000000 ] - [ 0.0001182700000000, -0.0002544700000000, 0.0000304400000000 ] - [ 0.0016235500000000, 0.0006502000000000, -0.0005206400000000 ] - [ -0.0011625900000000, 0.0011250600000000, 0.0005094500000000 ] - [ 0.0001311300000000, 0.0001426500000000, 0.0001813800000000 ] - [ 0.0000303500000000, 0.0001663400000000, 0.0002145500000000 ] - [ 0.0014740900000000, 0.0037286100000000, 0.0057795400000000 ] - [ 0.0029362000000000, 0.0034562800000000, -0.0072131600000000 ] - [ -0.0042307400000000, -0.0016640400000000, -0.0011056800000000 ] - [ 0.0024072500000000, -0.0011867800000000, -0.0033306600000000 ] - [ -0.0000729100000000, 0.0000387700000000, 0.0000695800000000 ] - [ 0.0002861700000000, 0.0004715000000000, 0.0002829100000000 ] - [ 0.0001633900000000, -0.0001248400000000, -0.0000453800000000 ] - [ -0.0001920400000000, -0.0000591600000000, -0.0002047300000000 ] - [ -0.0001189200000000, -0.0002538000000000, 0.0000286200000000 ] - [ -0.0001145300000000, -0.0002531100000000, 0.0000280700000000 ] - [ 0.0000217300000000, 0.0000114500000000, 0.0002264000000000 ] - [ 0.0000232700000000, 0.0000079800000000, 0.0002375100000000 ] - [ -0.0001663200000000, 0.0000746500000000, 0.0001674800000000 ] - [ -0.0001569800000000, 0.0000737000000000, 0.0001692000000000 ] - [ 0.0000645500000000, 0.0000198000000000, -0.0005190400000000 ] - [ -0.0003811000000000, 0.0003414400000000, 0.0005786900000000 ] - [ -0.0000349000000000, 0.0001516100000000, 0.0001266200000000 ] - [ -0.0001479300000000, 0.0001525500000000, 0.0002574700000000 ] - [ -0.0000125400000000, -0.0000149600000000, -0.0000153100000000 ] - [ 0.0001035500000000, 0.0001084100000000, 0.0002509200000000 ] - [ -0.0000703500000000, -0.0001587700000000, -0.0000458900000000 ] - [ -0.0000661000000000, -0.0001607700000000, -0.0000458900000000 ] - [ 0.0021352400000000, -0.0045571300000000, -0.0006846700000000 ] - [ 0.0009095800000000, -0.0054840000000000, -0.0001825700000000 ] - [ 0.0000871900000000, 0.0002471900000000, 0.0000912000000000 ] - [ 0.0001674000000000, 0.0002477800000000, 0.0001327600000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000062700000000, -0.0002785100000000, 0.0001897300000000 ] - [ -0.0000092900000000, -0.0002773400000000, 0.0001965100000000 ] - [ -0.0015627100000000, 0.0008557800000000, -0.0017697100000000 ] - [ 0.0006335200000000, 0.0001466700000000, -0.0009342700000000 ] - [ -0.0000173500000000, -0.0002808400000000, 0.0002338200000000 ] - [ 0.0000116900000000, -0.0002744700000000, 0.0002275900000000 ] - [ 0.0014511000000000, 0.0009724900000000, -0.0016686100000000 ] - [ -0.0014510400000000, -0.0006657900000000, 0.0048967000000000 ] - [ 0.0002317900000000, -0.0000008200000000, 0.0001458100000000 ] - [ 0.0002716800000000, -0.0000270800000000, 0.0002413200000000 ] - [ -0.0003322400000000, 0.0001472200000000, -0.0010519800000000 ] - [ 0.0008552500000000, 0.0000227500000000, 0.0000600500000000 ] - [ -0.0001737500000000, -0.0002398800000000, 0.0000271600000000 ] - [ 0.0000712900000000, -0.0002687900000000, 0.0001475100000000 ] - [ 0.0002210100000000, -0.0000506800000000, 0.0001136100000000 ] - [ -0.0006766800000000, 0.0002402800000000, 0.0015567300000000 ] - [ -0.0145037700000000, -0.0156689600000000, 0.0191975400000000 ] - [ 0.0021114000000000, 0.0004327200000000, -0.0003271400000000 ] - [ -0.0000022100000000, 0.0001836900000000, -0.0000629300000000 ] - [ -0.0000925800000000, 0.0004211900000000, 0.0002531000000000 ] - [ -0.0000851500000000, -0.0002706000000000, 0.0002000100000000 ] - [ -0.0000883900000000, -0.0002675800000000, 0.0001982300000000 ] - [ -0.0004857500000000, -0.0003111500000000, 0.0015193900000000 ] - [ -0.0024169500000000, -0.0121326400000000, -0.0090154600000000 ] - [ -0.0146582700000000, -0.0153561700000000, -0.0231328500000000 ] - [ 0.0025520500000000, -0.0003755700000000, -0.0006895800000000 ] - [ -0.0000458600000000, -0.0003335500000000, 0.0001553600000000 ] - [ 0.0001368800000000, -0.0003131900000000, -0.0000243000000000 ] - [ 0.0002426100000000, 0.0000198900000000, 0.0000086800000000 ] - [ 0.0002459400000000, 0.0000222300000000, 0.0000090000000000 ] - [ -0.0002481000000000, 0.0000208500000000, 0.0000071900000000 ] - [ -0.0002424200000000, 0.0000221900000000, 0.0000104600000000 ] - [ 0.0000830900000000, -0.0002680400000000, 0.0002010600000000 ] - [ 0.0000909300000000, -0.0002668100000000, 0.0001981700000000 ] - [ -0.0003011300000000, -0.0000238900000000, 0.0001824600000000 ] - [ -0.0001969100000000, -0.0000336800000000, 0.0001942600000000 ] - [ -0.0056027600000000, 0.0039058000000000, 0.0005038200000000 ] - [ 0.0009088300000000, 0.0014147200000000, -0.0021075300000000 ] - [ 0.0003431300000000, 0.0003615400000000, 0.0001537000000000 ] - [ -0.0002576300000000, 0.0001599400000000, 0.0000692300000000 ] - [ -0.0023256500000000, 0.0001534700000000, 0.0013382100000000 ] - [ 0.0012371600000000, -0.0021880500000000, -0.0002027400000000 ] - [ 0.0000001800000000, 0.0000019700000000, -0.0000605500000000 ] - [ -0.0000071000000000, 0.0000026900000000, -0.0000584700000000 ] - [ 0.0013176200000000, -0.0015464500000000, -0.0001162200000000 ] - [ -0.0025507200000000, 0.0000938900000000, -0.0012398500000000 ] - [ 0.0000064400000000, 0.0000026500000000, -0.0000590900000000 ] - [ 0.0000009100000000, 0.0000025600000000, -0.0000595300000000 ] - [ 0.0001293500000000, 0.0000660000000000, 0.0000657000000000 ] - [ 0.0001153200000000, 0.0000572500000000, 0.0000530100000000 ] - [ 0.0003337100000000, 0.0000683300000000, 0.0000404700000000 ] - [ -0.0002723700000000, -0.0000481200000000, 0.0000525900000000 ] - [ 0.0000701800000000, -0.0000286800000000, -0.0002532900000000 ] - [ -0.0000168900000000, 0.0000209600000000, -0.0002208100000000 ] - [ 0.0005063000000000, -0.0066650500000000, 0.0010486500000000 ] - [ 0.0098893300000000, -0.0029447700000000, -0.0031048500000000 ] - [ 0.0000521700000000, -0.0000500300000000, -0.0000265500000000 ] - [ 0.0000484900000000, -0.0000469400000000, -0.0000221500000000 ] - [ 0.0282733200000000, 0.0870728000000000, 0.0099639100000000 ] - [ -0.0008186000000000, -0.0006400600000000, 0.0001351900000000 ] - [ -0.0001572000000000, 0.0000696400000000, -0.0001764700000000 ] - [ -0.0001593000000000, 0.0000686900000000, -0.0001749500000000 ] - [ 0.0001557000000000, 0.0000634400000000, -0.0001791100000000 ] - [ 0.0001526700000000, 0.0000638700000000, -0.0001743400000000 ] - [ 0.0000299700000000, 0.0000404200000000, -0.0001569200000000 ] - [ -0.0000520800000000, -0.0000102100000000, -0.0001713200000000 ] - [ 0.0000373900000000, -0.0000574800000000, 0.0001162400000000 ] - [ -0.0000558500000000, -0.0000581200000000, -0.0001167400000000 ] - [ 0.0005475800000000, -0.0005546500000000, 0.0000576500000000 ] - [ -0.0001630500000000, -0.0002509800000000, 0.0001215400000000 ] - [ -0.0000540900000000, 0.0002895100000000, -0.0000210400000000 ] - [ -0.0001702800000000, 0.0002414900000000, -0.0000385200000000 ] - [ 0.0000828900000000, -0.0001660600000000, -0.0001993700000000 ] - [ 0.0000823700000000, -0.0001647400000000, -0.0002003900000000 ] - [ 0.0055091100000000, -0.0396134900000000, -0.0004974600000000 ] - [ -0.0009000800000000, 0.0005516100000000, 0.0000529900000000 ] - [ 0.0002244700000000, -0.0002013800000000, 0.0004801500000000 ] - [ -0.0005438300000000, 0.0006502700000000, -0.0001408300000000 ] - [ -0.0017192000000000, 0.0002000600000000, -0.0008138200000000 ] - [ 0.0010696300000000, 0.0009773200000000, 0.0001645400000000 ] - [ 0.0001206100000000, -0.0002461000000000, -0.0001279700000000 ] - [ 0.0001211700000000, -0.0002462000000000, -0.0001288300000000 ] - [ -0.0013345200000000, -0.0007774000000000, 0.0002994500000000 ] - [ 0.0014526600000000, -0.0012640600000000, -0.0007348200000000 ] - [ 0.0000199400000000, 0.0001823400000000, 0.0000693900000000 ] - [ 0.0001194700000000, 0.0001580600000000, 0.0000344300000000 ] - [ -0.0013042800000000, -0.0033843500000000, -0.0060116900000000 ] - [ -0.0028061600000000, -0.0031157400000000, 0.0069653900000000 ] - [ 0.0041605200000000, 0.0016908800000000, 0.0012951400000000 ] - [ -0.0024215100000000, 0.0012411500000000, 0.0035245200000000 ] - [ -0.0002205600000000, -0.0001774300000000, 0.0001640000000000 ] - [ -0.0005678300000000, -0.0006014200000000, -0.0000510700000000 ] - [ -0.0001330000000000, 0.0001627800000000, -0.0001607900000000 ] - [ 0.0002204400000000, 0.0000989100000000, 0.0000051300000000 ] - [ -0.0001215700000000, -0.0002464500000000, -0.0001280100000000 ] - [ -0.0001206700000000, -0.0002458400000000, -0.0001289300000000 ] - [ -0.0000508600000000, -0.0000443000000000, -0.0000206200000000 ] - [ -0.0000479300000000, -0.0000441500000000, -0.0000234600000000 ] - [ -0.0001146200000000, 0.0000535300000000, 0.0000639100000000 ] - [ -0.0001213100000000, 0.0000542300000000, 0.0000597800000000 ] - [ -0.0000869400000000, 0.0000173800000000, 0.0003041900000000 ] - [ 0.0003563000000000, -0.0003067400000000, -0.0007953700000000 ] - [ -0.0001136600000000, 0.0001755700000000, 0.0001227600000000 ] - [ -0.0000045700000000, 0.0001745300000000, -0.0000075300000000 ] - [ -0.0002256600000000, -0.0004843200000000, 0.0001198200000000 ] - [ -0.0003415500000000, -0.0006082500000000, -0.0001469900000000 ] - [ -0.0000807500000000, -0.0001647300000000, -0.0001992400000000 ] - [ -0.0000827400000000, -0.0001625500000000, -0.0002003200000000 ] - [ -0.0022083000000000, 0.0049124700000000, 0.0004217300000000 ] - [ -0.0011935900000000, 0.0058026700000000, -0.0000906100000000 ] - [ 0.0001501000000000, 0.0002535500000000, 0.0000153400000000 ] - [ 0.0000703600000000, 0.0002543600000000, -0.0000280400000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000590100000000, -0.0002865100000000, -0.0027822100000000 ] - [ 0.0000153800000000, -0.0002728300000000, -0.0028352700000000 ] - [ -0.0005686100000000, 0.0004504600000000, 0.0000368700000000 ] - [ 0.0003289500000000, 0.0002330700000000, -0.0041424400000000 ] - [ -0.0000100200000000, -0.0002751000000000, -0.0028351300000000 ] - [ -0.0000618000000000, -0.0002895700000000, -0.0027892700000000 ] - [ -0.0018377500000000, 0.0002710300000000, -0.0052114200000000 ] - [ 0.0029380500000000, 0.0015106900000000, -0.0055177900000000 ] - [ 0.0001285400000000, -0.0000108000000000, -0.0012813900000000 ] - [ 0.0002723200000000, -0.0000200000000000, -0.0012317100000000 ] - [ 0.0009465000000000, -0.0000396000000000, -0.0018878800000000 ] - [ -0.0005626300000000, 0.0000580700000000, -0.0006525700000000 ] - [ -0.0001659400000000, -0.0001354900000000, -0.0020631600000000 ] - [ -0.0004499000000000, -0.0001743200000000, -0.0018031800000000 ] - [ 0.0004734800000000, 0.0000366600000000, -0.0006475300000000 ] - [ -0.0008863700000000, -0.0000363000000000, -0.0019910500000000 ] - [ -0.0113223300000000, -0.0118147500000000, 0.0360777900000000 ] - [ -0.0016906700000000, -0.0014035800000000, 0.0028114900000000 ] - [ -0.0005944300000000, 0.0001214400000000, -0.0019892700000000 ] - [ 0.0000280800000000, 0.0001191100000000, -0.0017937100000000 ] - [ 0.0001742300000000, -0.0003961500000000, -0.0017806300000000 ] - [ 0.0001656300000000, -0.0003974900000000, -0.0017872100000000 ] - [ -0.0015166700000000, -0.0004859900000000, 0.0076070000000000 ] - [ 0.0077353600000000, 0.0038003500000000, 0.0192921200000000 ] - [ 0.0122188000000000, 0.0146787300000000, 0.0395101800000000 ] - [ 0.0026207100000000, 0.0009644300000000, 0.0021358500000000 ] - [ 0.0001868300000000, -0.0001396000000000, -0.0020801500000000 ] - [ 0.0004409400000000, -0.0001600800000000, -0.0017843500000000 ] - [ 0.0002970800000000, 0.0000293600000000, -0.0014261500000000 ] - [ 0.0002999000000000, 0.0000286800000000, -0.0014224900000000 ] - [ -0.0003012700000000, 0.0000293100000000, -0.0014259400000000 ] - [ -0.0002957700000000, 0.0000301800000000, -0.0014204300000000 ] - [ -0.0001692200000000, -0.0004001900000000, -0.0017844200000000 ] - [ -0.0001702700000000, -0.0003939400000000, -0.0017831800000000 ] - [ -0.0002496900000000, -0.0000226800000000, -0.0011829800000000 ] - [ -0.0001528700000000, -0.0000002500000000, -0.0012726500000000 ] - [ -0.0060925400000000, 0.0064552200000000, 0.0119110800000000 ] - [ 0.0019907600000000, -0.0005766200000000, 0.0086401800000000 ] - [ 0.0003846900000000, 0.0001236400000000, -0.0022030100000000 ] - [ 0.0001962100000000, 0.0002950000000000, -0.0016784200000000 ] - [ -0.0016871100000000, 0.0000060900000000, 0.0001099800000000 ] - [ 0.0011152500000000, 0.0008852800000000, 0.0025934100000000 ] - [ 0.0000563100000000, -0.0000268800000000, 0.0007890100000000 ] - [ 0.0000473300000000, -0.0000268200000000, 0.0007903400000000 ] - [ -0.0010045000000000, -0.0006359500000000, 0.0022392900000000 ] - [ 0.0016603500000000, -0.0000043000000000, 0.0001259100000000 ] - [ -0.0000459300000000, -0.0000271100000000, 0.0007907600000000 ] - [ -0.0000593000000000, -0.0000271200000000, 0.0007905100000000 ] - [ 0.0003575100000000, 0.0001199100000000, 0.0008691000000000 ] - [ 0.0004091800000000, 0.0001166000000000, 0.0009003900000000 ] - [ -0.0002319400000000, -0.0001115000000000, 0.0013460200000000 ] - [ -0.0001931400000000, -0.0001339500000000, 0.0009770300000000 ] - [ -0.0004956600000000, -0.0004082500000000, 0.0014466700000000 ] - [ -0.0004551500000000, -0.0003868100000000, 0.0013664900000000 ] - [ 0.0039815400000000, -0.0068623600000000, 0.0021036100000000 ] - [ -0.0140954900000000, 0.0042116300000000, 0.0031457000000000 ] - [ -0.0004445000000000, 0.0003557400000000, 0.0015986000000000 ] - [ -0.0004403600000000, 0.0003513600000000, 0.0015866000000000 ] - [ 0.0064806100000000, -0.0101829500000000, -0.0738610700000000 ] - [ -0.0001327000000000, 0.0000563400000000, -0.0032651900000000 ] - [ 0.0001060800000000, 0.0000024000000000, 0.0006483800000000 ] - [ 0.0001110900000000, 0.0000001200000000, 0.0006407200000000 ] - [ -0.0001029400000000, 0.0000046900000000, 0.0006484000000000 ] - [ -0.0001039400000000, 0.0000080600000000, 0.0006400600000000 ] - [ 0.0004899900000000, -0.0004101400000000, 0.0014435400000000 ] - [ 0.0004613400000000, -0.0003793500000000, 0.0013674900000000 ] - [ -0.0002064000000000, -0.0000760900000000, 0.0010562900000000 ] - [ 0.0006178600000000, -0.0003109200000000, 0.0010563100000000 ] - [ 0.0001652600000000, -0.0000740800000000, 0.0013547400000000 ] - [ 0.0002130900000000, -0.0001689000000000, 0.0009181600000000 ] - [ -0.0001125700000000, 0.0001732700000000, 0.0009982000000000 ] - [ -0.0002435800000000, 0.0001558000000000, 0.0010434300000000 ] - [ -0.0000605200000000, -0.0001965800000000, 0.0008452400000000 ] - [ -0.0000595200000000, -0.0001957700000000, 0.0008435300000000 ] - [ -0.0000996900000000, 0.0006986700000000, -0.0104921600000000 ] - [ -0.0006797400000000, 0.0001412500000000, -0.0030634300000000 ] - [ 0.0013002300000000, -0.0007998000000000, 0.0009915500000000 ] - [ 0.0001464000000000, 0.0000161500000000, 0.0011385800000000 ] - [ 0.0007235700000000, 0.0002549500000000, 0.0010252300000000 ] - [ -0.0013034900000000, -0.0006658300000000, -0.0006825600000000 ] - [ 0.0000539000000000, -0.0003250300000000, 0.0009002600000000 ] - [ 0.0000538600000000, -0.0003253800000000, 0.0008985100000000 ] - [ 0.0004377400000000, 0.0003064600000000, 0.0011755900000000 ] - [ -0.0007147100000000, 0.0009951400000000, -0.0000084300000000 ] - [ 0.0002309600000000, 0.0001046400000000, 0.0011717800000000 ] - [ 0.0001576500000000, 0.0001327400000000, 0.0010101500000000 ] - [ -0.0030256600000000, -0.0071328200000000, -0.0129002200000000 ] - [ 0.0055843300000000, 0.0062644500000000, -0.0136715700000000 ] - [ 0.0031827100000000, 0.0024850500000000, -0.0017143600000000 ] - [ -0.0044271600000000, -0.0011495100000000, 0.0022036600000000 ] - [ 0.0005534500000000, 0.0004792200000000, 0.0005848700000000 ] - [ -0.0008141500000000, -0.0003345200000000, 0.0011167700000000 ] - [ 0.0004547500000000, 0.0004198900000000, 0.0016300000000000 ] - [ 0.0003872600000000, 0.0001538600000000, 0.0007097900000000 ] - [ -0.0000543900000000, -0.0003247300000000, 0.0009001600000000 ] - [ -0.0000529700000000, -0.0003250800000000, 0.0008980900000000 ] - [ 0.0004366700000000, 0.0003500500000000, 0.0015788400000000 ] - [ 0.0004442000000000, 0.0003539400000000, 0.0015954500000000 ] - [ -0.0004154500000000, 0.0001220500000000, 0.0009005100000000 ] - [ -0.0003633000000000, 0.0001248600000000, 0.0008710300000000 ] - [ -0.0003754700000000, 0.0003828800000000, 0.0018503000000000 ] - [ -0.0008120200000000, 0.0005066300000000, 0.0013442100000000 ] - [ -0.0001777800000000, 0.0001909600000000, 0.0011657600000000 ] - [ -0.0002516700000000, 0.0001227500000000, 0.0010473400000000 ] - [ -0.0006081300000000, -0.0003147100000000, 0.0010306300000000 ] - [ 0.0002545800000000, -0.0000476900000000, 0.0010863000000000 ] - [ 0.0000599000000000, -0.0001958700000000, 0.0008438800000000 ] - [ 0.0000598200000000, -0.0001941500000000, 0.0008442700000000 ] - [ -0.0005879200000000, -0.0003970700000000, -0.0064084200000000 ] - [ -0.0010259000000000, 0.0002451000000000, -0.0070685900000000 ] - [ 0.0002686400000000, 0.0001655500000000, 0.0010061600000000 ] - [ 0.0000987400000000, 0.0002099200000000, 0.0010068600000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000644300000000, -0.0002688800000000, 0.0027904200000000 ] - [ -0.0000118400000000, -0.0002822400000000, 0.0028353300000000 ] - [ 0.0005666300000000, 0.0000968200000000, -0.0000499100000000 ] - [ -0.0003140100000000, 0.0003099600000000, 0.0041529900000000 ] - [ 0.0000105500000000, -0.0002843800000000, 0.0028391600000000 ] - [ 0.0000641000000000, -0.0002679200000000, 0.0027906900000000 ] - [ 0.0018512100000000, 0.0003001900000000, 0.0052273100000000 ] - [ -0.0029532600000000, -0.0009499900000000, 0.0055064600000000 ] - [ 0.0003698900000000, -0.0000327200000000, 0.0014644600000000 ] - [ 0.0002257200000000, -0.0000246200000000, 0.0014176600000000 ] - [ -0.0004454400000000, 0.0000771400000000, 0.0020719700000000 ] - [ 0.0010531600000000, -0.0000157200000000, 0.0008416900000000 ] - [ 0.0000297200000000, -0.0004181600000000, 0.0019370500000000 ] - [ 0.0003134000000000, -0.0003807000000000, 0.0016780400000000 ] - [ -0.0009627200000000, 0.0000070600000000, 0.0008354100000000 ] - [ 0.0003851500000000, 0.0000822100000000, 0.0021782300000000 ] - [ 0.0102099300000000, 0.0111919700000000, -0.0359586300000000 ] - [ 0.0012015800000000, 0.0013326600000000, -0.0029884200000000 ] - [ 0.0004579000000000, 0.0004323500000000, 0.0018645900000000 ] - [ -0.0001680200000000, 0.0004378000000000, 0.0016651600000000 ] - [ -0.0003083100000000, -0.0001610200000000, 0.0019119300000000 ] - [ -0.0003065300000000, -0.0001545300000000, 0.0019143600000000 ] - [ 0.0013806600000000, 0.0010218900000000, -0.0075119000000000 ] - [ -0.0074064100000000, -0.0036431300000000, -0.0196429100000000 ] - [ -0.0110748200000000, -0.0140544800000000, -0.0393659100000000 ] - [ -0.0021234600000000, -0.0009829300000000, -0.0023155500000000 ] - [ -0.0000501300000000, -0.0004147300000000, 0.0019541400000000 ] - [ -0.0003049500000000, -0.0003941700000000, 0.0016598100000000 ] - [ 0.0001973000000000, 0.0000117600000000, 0.0012448200000000 ] - [ 0.0002024500000000, 0.0000142200000000, 0.0012375200000000 ] - [ -0.0002010800000000, 0.0000130100000000, 0.0012412800000000 ] - [ -0.0001982500000000, 0.0000126400000000, 0.0012388200000000 ] - [ 0.0003024900000000, -0.0001547500000000, 0.0019169200000000 ] - [ 0.0003129200000000, -0.0001597700000000, 0.0019103600000000 ] - [ -0.0002511700000000, -0.0000166600000000, 0.0013670700000000 ] - [ -0.0003418400000000, -0.0000404000000000, 0.0014574300000000 ] - [ 0.0060904000000000, -0.0057842100000000, -0.0119618600000000 ] - [ -0.0018661600000000, 0.0011481100000000, -0.0085404900000000 ] - [ -0.0002444100000000, 0.0004304200000000, 0.0020812900000000 ] - [ -0.0000614300000000, 0.0002562600000000, 0.0015518100000000 ] - [ 0.0016965500000000, -0.0000061900000000, -0.0001194400000000 ] - [ -0.0010913700000000, -0.0009212700000000, -0.0025615600000000 ] - [ -0.0000561700000000, 0.0000270200000000, -0.0007895700000000 ] - [ -0.0000468800000000, 0.0000270600000000, -0.0007906700000000 ] - [ 0.0009816000000000, 0.0006667700000000, -0.0022001900000000 ] - [ -0.0016720400000000, 0.0000042700000000, -0.0001366000000000 ] - [ 0.0000457100000000, 0.0000273400000000, -0.0007911500000000 ] - [ 0.0000594300000000, 0.0000270900000000, -0.0007912800000000 ] - [ -0.0000811700000000, 0.0000031700000000, -0.0006325300000000 ] - [ -0.0001372400000000, -0.0000002300000000, -0.0006660500000000 ] - [ 0.0000871300000000, -0.0002217400000000, -0.0010949100000000 ] - [ 0.0000471400000000, -0.0002015200000000, -0.0007256800000000 ] - [ 0.0004652300000000, 0.0003695300000000, -0.0016289600000000 ] - [ 0.0004259600000000, 0.0003502700000000, -0.0015544400000000 ] - [ -0.0039698900000000, 0.0069268300000000, -0.0019467600000000 ] - [ 0.0141881200000000, -0.0041863000000000, -0.0029826000000000 ] - [ 0.0004749600000000, -0.0003939200000000, -0.0014181900000000 ] - [ 0.0004688100000000, -0.0003887300000000, -0.0014005700000000 ] - [ -0.0067240800000000, 0.0108740800000000, 0.0738195000000000 ] - [ 0.0003620300000000, 0.0004457400000000, 0.0031611500000000 ] - [ -0.0003825400000000, 0.0001210400000000, -0.0008872500000000 ] - [ -0.0003829600000000, 0.0001177300000000, -0.0008777900000000 ] - [ 0.0003846400000000, 0.0001212300000000, -0.0008873000000000 ] - [ 0.0003873500000000, 0.0001230800000000, -0.0008776500000000 ] - [ -0.0004557900000000, 0.0003709000000000, -0.0016226700000000 ] - [ -0.0004297400000000, 0.0003394900000000, -0.0015445400000000 ] - [ 0.0004372800000000, -0.0004258200000000, -0.0009454100000000 ] - [ -0.0003816800000000, -0.0001944400000000, -0.0009454100000000 ] - [ -0.0000182600000000, -0.0002593700000000, -0.0011030700000000 ] - [ -0.0000671900000000, -0.0001633600000000, -0.0006665200000000 ] - [ -0.0001230900000000, 0.0003308100000000, -0.0008890600000000 ] - [ 0.0000119900000000, 0.0003487200000000, -0.0009336600000000 ] - [ 0.0002055900000000, -0.0001395100000000, -0.0010974900000000 ] - [ 0.0002061500000000, -0.0001385100000000, -0.0010973900000000 ] - [ -0.0001153100000000, -0.0001983900000000, 0.0103824000000000 ] - [ 0.0004482300000000, 0.0003638700000000, 0.0029639600000000 ] - [ -0.0010318200000000, 0.0006877700000000, -0.0007520800000000 ] - [ 0.0001217600000000, -0.0001313700000000, -0.0009025100000000 ] - [ -0.0009937400000000, -0.0003918100000000, -0.0012829500000000 ] - [ 0.0010443100000000, 0.0005581900000000, 0.0004529200000000 ] - [ 0.0001793300000000, -0.0001784800000000, -0.0010106600000000 ] - [ 0.0001804300000000, -0.0001784000000000, -0.0010094100000000 ] - [ -0.0001701200000000, -0.0004349200000000, -0.0013953900000000 ] - [ 0.0010043000000000, -0.0011343500000000, -0.0002242900000000 ] - [ -0.0000844200000000, 0.0002270600000000, -0.0009198200000000 ] - [ -0.0000128900000000, 0.0001991900000000, -0.0007587000000000 ] - [ 0.0031222900000000, 0.0074492200000000, 0.0126567400000000 ] - [ -0.0053815700000000, -0.0058995300000000, 0.0134097800000000 ] - [ -0.0032127200000000, -0.0024540500000000, 0.0018939000000000 ] - [ 0.0044545400000000, 0.0011858700000000, -0.0020681800000000 ] - [ -0.0008436700000000, -0.0006144000000000, -0.0003455600000000 ] - [ 0.0005311300000000, 0.0002066300000000, -0.0008841900000000 ] - [ -0.0004189700000000, -0.0003817100000000, -0.0018113500000000 ] - [ -0.0003551900000000, -0.0001117400000000, -0.0008806100000000 ] - [ -0.0001804700000000, -0.0001791600000000, -0.0010113000000000 ] - [ -0.0001793000000000, -0.0001784400000000, -0.0010098700000000 ] - [ -0.0004710100000000, -0.0003886400000000, -0.0014043300000000 ] - [ -0.0004741400000000, -0.0003947800000000, -0.0014190500000000 ] - [ 0.0001337600000000, 0.0000039200000000, -0.0006640700000000 ] - [ 0.0000807700000000, 0.0000047700000000, -0.0006355100000000 ] - [ 0.0003504100000000, -0.0003469200000000, -0.0020394800000000 ] - [ 0.0007853300000000, -0.0004727000000000, -0.0015340800000000 ] - [ 0.0000332300000000, 0.0001432700000000, -0.0009157600000000 ] - [ 0.0001055900000000, 0.0002133000000000, -0.0007954900000000 ] - [ 0.0003714900000000, -0.0001895700000000, -0.0009203800000000 ] - [ -0.0004860400000000, -0.0004569300000000, -0.0009755200000000 ] - [ -0.0002047200000000, -0.0001376500000000, -0.0010963300000000 ] - [ -0.0002052800000000, -0.0001362500000000, -0.0010986500000000 ] - [ 0.0005248600000000, 0.0007474200000000, 0.0061573400000000 ] - [ 0.0007672800000000, 0.0000955800000000, 0.0068185700000000 ] - [ -0.0000345100000000, 0.0003381400000000, -0.0008968800000000 ] - [ 0.0001348100000000, 0.0002943900000000, -0.0008961100000000 ]