# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d7b242bd-f828-4824-90fd-ba97076a2fc5/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 Tb2Se2O7 / P4_2/ncm (138) / materials id 30313](https://mdr.nims.go.jp/datasets/bb6ea5c1-1ec3-458a-adce-17bbf4cb61bc) ## 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: "P4_2/ncm" number: 138 Hall_symbol: "P 4n 2ab -1n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 10.546850450000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.546850450000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.209300220000000 ] # c points: - symbol: O # 1 coordinates: [ 0.931662040000000, 0.752586920000000, 0.881068510000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.068337960000000, 0.247413080000000, 0.881068510000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.252586920000000, 0.568337960000000, 0.381068510000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.747413080000000, 0.431662040000000, 0.381068510000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.752586920000000, 0.931662040000000, 0.618931490000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.568337960000000, 0.252586920000000, 0.118931490000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.431662040000000, 0.747413080000000, 0.118931490000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.247413080000000, 0.068337960000000, 0.618931490000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.568337960000000, 0.747413080000000, 0.618931490000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.431662040000000, 0.252586920000000, 0.618931490000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.247413080000000, 0.931662040000000, 0.118931490000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.752586920000000, 0.068337960000000, 0.118931490000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.747413080000000, 0.568337960000000, 0.881068510000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.931662040000000, 0.247413080000000, 0.381068510000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.068337960000000, 0.752586920000000, 0.381068510000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.252586920000000, 0.431662040000000, 0.881068510000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.313361260000000, 0.813361260000000, 0.558475830000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.686638740000000, 0.813361260000000, 0.058475830000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.313361260000000, 0.186638740000000, 0.058475830000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.686638740000000, 0.186638740000000, 0.558475830000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.813361260000000, 0.686638740000000, 0.441524170000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.186638740000000, 0.313361260000000, 0.441524170000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.813361260000000, 0.313361260000000, 0.941524170000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.186638740000000, 0.686638740000000, 0.941524170000000 ] mass: 15.999400 - symbol: Se # 29 coordinates: [ 0.121150010000000, 0.621150010000000, 0.214135060000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.878849990000000, 0.378849990000000, 0.214135060000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.121150010000000, 0.378849990000000, 0.714135060000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.878849990000000, 0.621150010000000, 0.714135060000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.621150010000000, 0.121150010000000, 0.285864940000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.378849990000000, 0.121150010000000, 0.785864940000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.621150010000000, 0.878849990000000, 0.785864940000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.378849990000000, 0.878849990000000, 0.285864940000000 ] mass: 78.960000 - symbol: Tb # 37 coordinates: [ 0.878094530000000, 0.121905470000000, 0.750000000000000 ] mass: 158.925350 - symbol: Tb # 38 coordinates: [ 0.378094530000000, 0.378094530000000, 0.250000000000000 ] mass: 158.925350 - symbol: Tb # 39 coordinates: [ 0.621905470000000, 0.621905470000000, 0.250000000000000 ] mass: 158.925350 - symbol: Tb # 40 coordinates: [ 0.121905470000000, 0.878094530000000, 0.750000000000000 ] mass: 158.925350 - symbol: Tb # 41 coordinates: [ 0.621905470000000, 0.378094530000000, 0.750000000000000 ] mass: 158.925350 - symbol: Tb # 42 coordinates: [ 0.121905470000000, 0.121905470000000, 0.250000000000000 ] mass: 158.925350 - symbol: Tb # 43 coordinates: [ 0.878094530000000, 0.878094530000000, 0.250000000000000 ] mass: 158.925350 - symbol: Tb # 44 coordinates: [ 0.378094530000000, 0.621905470000000, 0.750000000000000 ] mass: 158.925350 reciprocal_lattice: # without 2pi - [ 0.094815035516124, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.094815035516124, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.191964363305596 ] # c*unit_cell: lattice: - [ 10.546850450000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.546850450000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.209300220000000 ] # c points: - symbol: O # 1 coordinates: [ 0.931662040000000, 0.752586920000000, 0.881068510000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.068337960000000, 0.247413080000000, 0.881068510000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.252586920000000, 0.568337960000000, 0.381068510000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.747413080000000, 0.431662040000000, 0.381068510000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.752586920000000, 0.931662040000000, 0.618931490000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.568337960000000, 0.252586920000000, 0.118931490000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.431662040000000, 0.747413080000000, 0.118931490000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.247413080000000, 0.068337960000000, 0.618931490000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.568337960000000, 0.747413080000000, 0.618931490000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.431662040000000, 0.252586920000000, 0.618931490000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.247413080000000, 0.931662040000000, 0.118931490000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.752586920000000, 0.068337960000000, 0.118931490000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.747413080000000, 0.568337960000000, 0.881068510000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.931662040000000, 0.247413080000000, 0.381068510000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.068337960000000, 0.752586920000000, 0.381068510000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.252586920000000, 0.431662040000000, 0.881068510000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.313361260000000, 0.813361260000000, 0.558475830000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.686638740000000, 0.813361260000000, 0.058475830000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.313361260000000, 0.186638740000000, 0.058475830000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.686638740000000, 0.186638740000000, 0.558475830000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.813361260000000, 0.686638740000000, 0.441524170000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.186638740000000, 0.313361260000000, 0.441524170000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.813361260000000, 0.313361260000000, 0.941524170000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.186638740000000, 0.686638740000000, 0.941524170000000 ] mass: 15.999400 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.121150010000000, 0.621150010000000, 0.214135060000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.878849990000000, 0.378849990000000, 0.214135060000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.121150010000000, 0.378849990000000, 0.714135060000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.878849990000000, 0.621150010000000, 0.714135060000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.621150010000000, 0.121150010000000, 0.285864940000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.378849990000000, 0.121150010000000, 0.785864940000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.621150010000000, 0.878849990000000, 0.785864940000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.378849990000000, 0.878849990000000, 0.285864940000000 ] mass: 78.960000 reduced_to: 36 - symbol: Tb # 37 coordinates: [ 0.878094530000000, 0.121905470000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 37 - symbol: Tb # 38 coordinates: [ 0.378094530000000, 0.378094530000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 38 - symbol: Tb # 39 coordinates: [ 0.621905470000000, 0.621905470000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 39 - symbol: Tb # 40 coordinates: [ 0.121905470000000, 0.878094530000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 40 - symbol: Tb # 41 coordinates: [ 0.621905470000000, 0.378094530000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 41 - symbol: Tb # 42 coordinates: [ 0.121905470000000, 0.121905470000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 42 - symbol: Tb # 43 coordinates: [ 0.878094530000000, 0.878094530000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 43 - symbol: Tb # 44 coordinates: [ 0.378094530000000, 0.621905470000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 44supercell: lattice: - [ 10.546850450000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.546850450000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.627900660000002 ] # c points: - symbol: O # 1 coordinates: [ 0.931662040000000, 0.752586920000000, 0.293689503333333 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.931662040000000, 0.752586920000000, 0.627022836666667 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.931662040000000, 0.752586920000000, 0.960356170000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.068337960000000, 0.247413080000000, 0.293689503333333 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.068337960000000, 0.247413080000000, 0.627022836666667 ] mass: 15.999400 reduced_to: 4 - symbol: O # 6 coordinates: [ 0.068337960000000, 0.247413080000000, 0.960356170000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 7 coordinates: [ 0.252586920000000, 0.568337960000000, 0.127022836666667 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.252586920000000, 0.568337960000000, 0.460356170000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.252586920000000, 0.568337960000000, 0.793689503333333 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.747413080000000, 0.431662040000000, 0.127022836666667 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.747413080000000, 0.431662040000000, 0.460356170000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 12 coordinates: [ 0.747413080000000, 0.431662040000000, 0.793689503333333 ] mass: 15.999400 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.752586920000000, 0.931662040000000, 0.206310496666667 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.752586920000000, 0.931662040000000, 0.539643830000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.752586920000000, 0.931662040000000, 0.872977163333333 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.568337960000000, 0.252586920000000, 0.039643830000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.568337960000000, 0.252586920000000, 0.372977163333333 ] mass: 15.999400 reduced_to: 16 - symbol: O # 18 coordinates: [ 0.568337960000000, 0.252586920000000, 0.706310496666667 ] mass: 15.999400 reduced_to: 16 - symbol: O # 19 coordinates: [ 0.431662040000000, 0.747413080000000, 0.039643830000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.431662040000000, 0.747413080000000, 0.372977163333333 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.431662040000000, 0.747413080000000, 0.706310496666667 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.247413080000000, 0.068337960000000, 0.206310496666667 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.247413080000000, 0.068337960000000, 0.539643830000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 24 coordinates: [ 0.247413080000000, 0.068337960000000, 0.872977163333333 ] mass: 15.999400 reduced_to: 22 - symbol: O # 25 coordinates: [ 0.568337960000000, 0.747413080000000, 0.206310496666667 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.568337960000000, 0.747413080000000, 0.539643830000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.568337960000000, 0.747413080000000, 0.872977163333333 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.431662040000000, 0.252586920000000, 0.206310496666667 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.431662040000000, 0.252586920000000, 0.539643830000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 30 coordinates: [ 0.431662040000000, 0.252586920000000, 0.872977163333333 ] mass: 15.999400 reduced_to: 28 - symbol: O # 31 coordinates: [ 0.247413080000000, 0.931662040000000, 0.039643830000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.247413080000000, 0.931662040000000, 0.372977163333333 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.247413080000000, 0.931662040000000, 0.706310496666667 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.752586920000000, 0.068337960000000, 0.039643830000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.752586920000000, 0.068337960000000, 0.372977163333333 ] mass: 15.999400 reduced_to: 34 - symbol: O # 36 coordinates: [ 0.752586920000000, 0.068337960000000, 0.706310496666667 ] mass: 15.999400 reduced_to: 34 - symbol: O # 37 coordinates: [ 0.747413080000000, 0.568337960000000, 0.293689503333333 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.747413080000000, 0.568337960000000, 0.627022836666667 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.747413080000000, 0.568337960000000, 0.960356170000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.931662040000000, 0.247413080000000, 0.127022836666667 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.931662040000000, 0.247413080000000, 0.460356170000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 42 coordinates: [ 0.931662040000000, 0.247413080000000, 0.793689503333333 ] mass: 15.999400 reduced_to: 40 - symbol: O # 43 coordinates: [ 0.068337960000000, 0.752586920000000, 0.127022836666667 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.068337960000000, 0.752586920000000, 0.460356170000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.068337960000000, 0.752586920000000, 0.793689503333333 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.252586920000000, 0.431662040000000, 0.293689503333333 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.252586920000000, 0.431662040000000, 0.627022836666667 ] mass: 15.999400 reduced_to: 46 - symbol: O # 48 coordinates: [ 0.252586920000000, 0.431662040000000, 0.960356170000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.000000000000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.000000000000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.500000000000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 52 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.500000000000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 52 - symbol: O # 55 coordinates: [ 0.500000000000000, 0.500000000000000, 0.166666666666667 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.500000000000000, 0.500000000000000, 0.833333333333333 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.333333333333333 ] mass: 15.999400 reduced_to: 58 - symbol: O # 60 coordinates: [ 0.000000000000000, 0.000000000000000, 0.666666666666667 ] mass: 15.999400 reduced_to: 58 - symbol: O # 61 coordinates: [ 0.313361260000000, 0.813361260000000, 0.186158610000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.313361260000000, 0.813361260000000, 0.519491943333333 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.313361260000000, 0.813361260000000, 0.852825276666667 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.686638740000000, 0.813361260000000, 0.019491943333333 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.686638740000000, 0.813361260000000, 0.352825276666667 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.686638740000000, 0.813361260000000, 0.686158610000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.313361260000000, 0.186638740000000, 0.019491943333333 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.313361260000000, 0.186638740000000, 0.352825276666667 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.313361260000000, 0.186638740000000, 0.686158610000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.686638740000000, 0.186638740000000, 0.186158610000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.686638740000000, 0.186638740000000, 0.519491943333333 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.686638740000000, 0.186638740000000, 0.852825276666667 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.813361260000000, 0.686638740000000, 0.147174723333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.813361260000000, 0.686638740000000, 0.480508056666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.813361260000000, 0.686638740000000, 0.813841390000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.186638740000000, 0.313361260000000, 0.147174723333333 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.186638740000000, 0.313361260000000, 0.480508056666667 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.186638740000000, 0.313361260000000, 0.813841390000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.813361260000000, 0.313361260000000, 0.313841390000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.813361260000000, 0.313361260000000, 0.647174723333333 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.813361260000000, 0.313361260000000, 0.980508056666667 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.186638740000000, 0.686638740000000, 0.313841390000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.186638740000000, 0.686638740000000, 0.647174723333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.186638740000000, 0.686638740000000, 0.980508056666667 ] mass: 15.999400 reduced_to: 82 - symbol: Se # 85 coordinates: [ 0.121150010000000, 0.621150010000000, 0.071378353333333 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.121150010000000, 0.621150010000000, 0.404711686666667 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 87 coordinates: [ 0.121150010000000, 0.621150010000000, 0.738045020000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 88 coordinates: [ 0.878849990000000, 0.378849990000000, 0.071378353333333 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 89 coordinates: [ 0.878849990000000, 0.378849990000000, 0.404711686666667 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 90 coordinates: [ 0.878849990000000, 0.378849990000000, 0.738045020000000 ] mass: 78.960000 reduced_to: 88 - symbol: Se # 91 coordinates: [ 0.121150010000000, 0.378849990000000, 0.238045020000000 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 92 coordinates: [ 0.121150010000000, 0.378849990000000, 0.571378353333333 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 93 coordinates: [ 0.121150010000000, 0.378849990000000, 0.904711686666667 ] mass: 78.960000 reduced_to: 91 - symbol: Se # 94 coordinates: [ 0.878849990000000, 0.621150010000000, 0.238045020000000 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 95 coordinates: [ 0.878849990000000, 0.621150010000000, 0.571378353333333 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 96 coordinates: [ 0.878849990000000, 0.621150010000000, 0.904711686666667 ] mass: 78.960000 reduced_to: 94 - symbol: Se # 97 coordinates: [ 0.621150010000000, 0.121150010000000, 0.095288313333333 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.621150010000000, 0.121150010000000, 0.428621646666667 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.621150010000000, 0.121150010000000, 0.761954980000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 100 coordinates: [ 0.378849990000000, 0.121150010000000, 0.261954980000000 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 101 coordinates: [ 0.378849990000000, 0.121150010000000, 0.595288313333333 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 102 coordinates: [ 0.378849990000000, 0.121150010000000, 0.928621646666667 ] mass: 78.960000 reduced_to: 100 - symbol: Se # 103 coordinates: [ 0.621150010000000, 0.878849990000000, 0.261954980000000 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 104 coordinates: [ 0.621150010000000, 0.878849990000000, 0.595288313333333 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 105 coordinates: [ 0.621150010000000, 0.878849990000000, 0.928621646666667 ] mass: 78.960000 reduced_to: 103 - symbol: Se # 106 coordinates: [ 0.378849990000000, 0.878849990000000, 0.095288313333333 ] mass: 78.960000 reduced_to: 106 - symbol: Se # 107 coordinates: [ 0.378849990000000, 0.878849990000000, 0.428621646666667 ] mass: 78.960000 reduced_to: 106 - symbol: Se # 108 coordinates: [ 0.378849990000000, 0.878849990000000, 0.761954980000000 ] mass: 78.960000 reduced_to: 106 - symbol: Tb # 109 coordinates: [ 0.878094530000000, 0.121905470000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 110 coordinates: [ 0.878094530000000, 0.121905470000000, 0.583333333333333 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 111 coordinates: [ 0.878094530000000, 0.121905470000000, 0.916666666666667 ] mass: 158.925350 reduced_to: 109 - symbol: Tb # 112 coordinates: [ 0.378094530000000, 0.378094530000000, 0.083333333333333 ] mass: 158.925350 reduced_to: 112 - symbol: Tb # 113 coordinates: [ 0.378094530000000, 0.378094530000000, 0.416666666666667 ] mass: 158.925350 reduced_to: 112 - symbol: Tb # 114 coordinates: [ 0.378094530000000, 0.378094530000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 112 - symbol: Tb # 115 coordinates: [ 0.621905470000000, 0.621905470000000, 0.083333333333333 ] mass: 158.925350 reduced_to: 115 - symbol: Tb # 116 coordinates: [ 0.621905470000000, 0.621905470000000, 0.416666666666667 ] mass: 158.925350 reduced_to: 115 - symbol: Tb # 117 coordinates: [ 0.621905470000000, 0.621905470000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 115 - symbol: Tb # 118 coordinates: [ 0.121905470000000, 0.878094530000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 119 coordinates: [ 0.121905470000000, 0.878094530000000, 0.583333333333333 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 120 coordinates: [ 0.121905470000000, 0.878094530000000, 0.916666666666667 ] mass: 158.925350 reduced_to: 118 - symbol: Tb # 121 coordinates: [ 0.621905470000000, 0.378094530000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 122 coordinates: [ 0.621905470000000, 0.378094530000000, 0.583333333333333 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 123 coordinates: [ 0.621905470000000, 0.378094530000000, 0.916666666666667 ] mass: 158.925350 reduced_to: 121 - symbol: Tb # 124 coordinates: [ 0.121905470000000, 0.121905470000000, 0.083333333333333 ] mass: 158.925350 reduced_to: 124 - symbol: Tb # 125 coordinates: [ 0.121905470000000, 0.121905470000000, 0.416666666666667 ] mass: 158.925350 reduced_to: 124 - symbol: Tb # 126 coordinates: [ 0.121905470000000, 0.121905470000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 124 - symbol: Tb # 127 coordinates: [ 0.878094530000000, 0.878094530000000, 0.083333333333333 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 128 coordinates: [ 0.878094530000000, 0.878094530000000, 0.416666666666667 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 129 coordinates: [ 0.878094530000000, 0.878094530000000, 0.750000000000000 ] mass: 158.925350 reduced_to: 127 - symbol: Tb # 130 coordinates: [ 0.378094530000000, 0.621905470000000, 0.250000000000000 ] mass: 158.925350 reduced_to: 130 - symbol: Tb # 131 coordinates: [ 0.378094530000000, 0.621905470000000, 0.583333333333333 ] mass: 158.925350 reduced_to: 130 - symbol: Tb # 132 coordinates: [ 0.378094530000000, 0.621905470000000, 0.916666666666667 ] mass: 158.925350 reduced_to: 130displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0843963600000000, -0.0475352400000000, -0.0196342800000000 ] - [ 0.0002503900000000, -0.0003569300000000, 0.0001681400000000 ] - [ 0.0002500000000000, -0.0001477200000000, 0.0004662900000000 ] - [ -0.0011431100000000, 0.0002198900000000, 0.0000832100000000 ] - [ -0.0009593700000000, -0.0003169000000000, 0.0003648600000000 ] - [ -0.0009596700000000, 0.0000020600000000, 0.0001446500000000 ] - [ 0.0006010700000000, -0.0013496900000000, -0.0000446100000000 ] - [ 0.0028045200000000, -0.0018396500000000, 0.0024075500000000 ] - [ 0.0001123000000000, -0.0008756700000000, 0.0002738900000000 ] - [ -0.0011819700000000, 0.0018414900000000, 0.0008905300000000 ] - [ -0.0004596400000000, 0.0013479800000000, -0.0005688100000000 ] - [ -0.0001251100000000, 0.0008760500000000, 0.0003323700000000 ] - [ 0.0011988900000000, -0.0028445900000000, 0.0022438000000000 ] - [ -0.0001491100000000, 0.0007177700000000, -0.0001358400000000 ] - [ -0.0002019900000000, 0.0006828500000000, 0.0000719700000000 ] - [ -0.0006057500000000, -0.0002200400000000, 0.0000034900000000 ] - [ -0.0004766200000000, 0.0002504900000000, -0.0004757000000000 ] - [ -0.0007317700000000, -0.0000227300000000, -0.0001470400000000 ] - [ 0.0016462000000000, -0.0007735200000000, -0.0005079500000000 ] - [ 0.0029882700000000, -0.0002278100000000, -0.0004668900000000 ] - [ 0.0009440600000000, 0.0000069100000000, -0.0000611900000000 ] - [ 0.0030017500000000, 0.0020068500000000, -0.0002326400000000 ] - [ 0.0002756100000000, -0.0006652000000000, 0.0001609300000000 ] - [ 0.0000463600000000, -0.0007743400000000, -0.0001626900000000 ] - [ 0.0012990600000000, 0.0006672100000000, 0.0005162900000000 ] - [ -0.0004323200000000, -0.0002308400000000, -0.0006114800000000 ] - [ -0.0005683100000000, 0.0002340400000000, 0.0000518600000000 ] - [ 0.0020889900000000, 0.0013294500000000, -0.0004458800000000 ] - [ 0.0010165700000000, 0.0001476500000000, -0.0002529300000000 ] - [ 0.0009400700000000, 0.0001184800000000, -0.0001691000000000 ] - [ 0.0001458200000000, 0.0009727400000000, -0.0005097300000000 ] - [ 0.0020118000000000, 0.0012425800000000, 0.0015251700000000 ] - [ 0.0001525700000000, 0.0008217200000000, 0.0000325400000000 ] - [ -0.0000745300000000, -0.0009721600000000, 0.0001227900000000 ] - [ -0.0001936000000000, -0.0012416100000000, -0.0005178500000000 ] - [ -0.0000223100000000, -0.0008216000000000, -0.0001408500000000 ] - [ 0.0078547300000000, 0.0182549200000000, 0.0047931700000000 ] - [ -0.0000467700000000, -0.0006514000000000, -0.0000166600000000 ] - [ -0.0003485400000000, -0.0006515400000000, 0.0011478800000000 ] - [ 0.0003425200000000, 0.0006479600000000, -0.0001692400000000 ] - [ 0.0003435300000000, 0.0007415100000000, -0.0001613200000000 ] - [ 0.0007200900000000, 0.0000277400000000, 0.0002199600000000 ] - [ -0.0004012600000000, -0.0027423200000000, -0.0055784800000000 ] - [ -0.0003981400000000, 0.0013091500000000, 0.0055093400000000 ] - [ -0.0009977400000000, 0.0001485500000000, 0.0003144100000000 ] - [ 0.0000833000000000, -0.0000304100000000, -0.0003340400000000 ] - [ 0.0000935300000000, 0.0006832800000000, 0.0004990200000000 ] - [ 0.0000906700000000, 0.0006836100000000, 0.0000852200000000 ] - [ -0.0026708900000000, 0.0020797200000000, -0.0021417100000000 ] - [ -0.0016267600000000, -0.0002679600000000, -0.0000984400000000 ] - [ -0.0002222600000000, 0.0000590100000000, 0.0000552300000000 ] - [ 0.0007893000000000, 0.0004937900000000, 0.0005773800000000 ] - [ 0.0027595900000000, -0.0000511800000000, -0.0004176600000000 ] - [ 0.0003347100000000, -0.0001729900000000, 0.0000959500000000 ] - [ 0.0018920900000000, -0.0000465900000000, -0.0000944100000000 ] - [ 0.0012631100000000, 0.0002915700000000, -0.0004755200000000 ] - [ 0.0002369200000000, -0.0000305700000000, 0.0001508600000000 ] - [ -0.0007191300000000, -0.0003111900000000, -0.0001072800000000 ] - [ -0.0022266500000000, 0.0059819400000000, 0.0025432400000000 ] - [ -0.0003615300000000, 0.0001345500000000, 0.0002050800000000 ] - [ 0.0027813900000000, -0.0002231800000000, -0.0025049400000000 ] - [ 0.0005922800000000, 0.0001707800000000, -0.0002010600000000 ] - [ 0.0001669000000000, 0.0000476000000000, -0.0005063500000000 ] - [ 0.0004402300000000, -0.0006230800000000, 0.0005909800000000 ] - [ 0.0112915100000000, -0.0043157400000000, -0.0035171600000000 ] - [ -0.0000562000000000, 0.0000440300000000, -0.0005101700000000 ] - [ 0.0003313200000000, 0.0000311200000000, -0.0006853800000000 ] - [ 0.0004015100000000, 0.0001601400000000, -0.0003932000000000 ] - [ 0.0001074900000000, -0.0000114900000000, -0.0003847200000000 ] - [ -0.0001620900000000, 0.0000357500000000, -0.0002222000000000 ] - [ -0.0000861000000000, -0.0001209100000000, -0.0007881900000000 ] - [ -0.0000031500000000, -0.0000153500000000, -0.0003557400000000 ] - [ 0.0027768100000000, 0.0055571500000000, 0.0135496000000000 ] - [ -0.0011164500000000, 0.0003409900000000, -0.0016698800000000 ] - [ 0.0000674700000000, -0.0002171200000000, 0.0007847800000000 ] - [ -0.0001174500000000, 0.0000647500000000, 0.0002327100000000 ] - [ -0.0001523200000000, -0.0000650100000000, 0.0007537700000000 ] - [ -0.0001115800000000, 0.0000599500000000, 0.0005492500000000 ] - [ -0.0010573400000000, 0.0013133100000000, 0.0000054200000000 ] - [ -0.0000257000000000, 0.0001239700000000, 0.0004844000000000 ] - [ -0.0000395400000000, 0.0002888000000000, 0.0008299200000000 ] - [ 0.0152577200000000, -0.0062965900000000, 0.0047580700000000 ] - [ -0.0002187000000000, -0.0002096100000000, 0.0010595800000000 ] - [ 0.0005488900000000, -0.0001181600000000, -0.0007234400000000 ] - [ 0.0000872800000000, 0.0030296800000000, 0.0015709200000000 ] - [ -0.0006652300000000, 0.0048461000000000, -0.0078647500000000 ] - [ 0.0009638700000000, 0.0007158700000000, -0.0003757100000000 ] - [ 0.0006759300000000, -0.0016644100000000, -0.0003058200000000 ] - [ 0.0011798000000000, -0.0020164200000000, 0.0013326600000000 ] - [ -0.0004618500000000, -0.0007929500000000, -0.0000433100000000 ] - [ 0.0014433100000000, 0.0001848100000000, 0.0007044600000000 ] - [ 0.0010944600000000, -0.0001092600000000, -0.0005333500000000 ] - [ 0.0009025500000000, -0.0005510500000000, 0.0000484500000000 ] - [ 0.0379679000000000, 0.0274264700000000, 0.0120964300000000 ] - [ 0.0007849400000000, 0.0006394100000000, 0.0007544400000000 ] - [ -0.0000781400000000, 0.0009442400000000, -0.0007287900000000 ] - [ 0.0001490300000000, 0.0012056500000000, -0.0006826500000000 ] - [ 0.0002400300000000, 0.0010040900000000, 0.0004216200000000 ] - [ 0.0005676100000000, 0.0007309500000000, -0.0001886700000000 ] - [ -0.0029827700000000, -0.0004813500000000, -0.0007877900000000 ] - [ -0.0010856700000000, 0.0004349800000000, -0.0001972500000000 ] - [ -0.0009402200000000, 0.0005830600000000, 0.0000761600000000 ] - [ -0.0032847200000000, 0.0012637000000000, -0.0031326400000000 ] - [ 0.0005178900000000, -0.0005344900000000, 0.0002154200000000 ] - [ 0.0003628600000000, -0.0006077600000000, -0.0008114100000000 ] - [ -0.0021707100000000, -0.0006478000000000, 0.0013773900000000 ] - [ -0.0029499200000000, -0.0000589100000000, -0.0003377200000000 ] - [ -0.0008687000000000, -0.0006128500000000, -0.0001605600000000 ] - [ 0.0036185200000000, -0.0014389800000000, 0.0005980400000000 ] - [ 0.0010946100000000, -0.0008872900000000, 0.0001937800000000 ] - [ 0.0010924200000000, -0.0007549200000000, -0.0002195500000000 ] - [ -0.0003087700000000, 0.0005116200000000, 0.0002325100000000 ] - [ -0.0010515100000000, 0.0011769400000000, 0.0004156400000000 ] - [ 0.0004401200000000, 0.0007080100000000, -0.0002115100000000 ] - [ -0.0049015200000000, -0.0023516700000000, -0.0027938700000000 ] - [ -0.0050671600000000, -0.0014780300000000, 0.0049471200000000 ] - [ -0.0009562400000000, -0.0007822200000000, -0.0002228900000000 ] - [ 0.0035490100000000, -0.0037134000000000, 0.0011424700000000 ] - [ -0.0004789300000000, -0.0005869800000000, -0.0016690800000000 ] - [ -0.0002489300000000, 0.0003924600000000, 0.0003829200000000 ] - [ -0.0038624500000000, -0.0034196100000000, -0.0015505900000000 ] - [ -0.0011068600000000, 0.0006908600000000, 0.0003660000000000 ] - [ -0.0009053400000000, 0.0005110800000000, -0.0004789700000000 ] - [ -0.0005390600000000, -0.0013664100000000, 0.0010592700000000 ] - [ -0.0007563000000000, -0.0018194200000000, -0.0012502900000000 ] - [ -0.0006091600000000, -0.0006969400000000, -0.0002302600000000 ] - [ 0.0048841700000000, 0.0042218900000000, -0.0015651200000000 ] - [ 0.0115522700000000, 0.0002967100000000, -0.0045772000000000 ] - [ 0.0010190500000000, 0.0008276600000000, -0.0002343700000000 ] - [ -0.0046657400000000, 0.0011428200000000, 0.0017298600000000 ] - [ -0.0006388000000000, -0.0006224700000000, -0.0011159600000000 ] - [ -0.0000970200000000, -0.0003667300000000, 0.0000916000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0851481000000000, 0.0478678000000000, 0.0205438000000000 ] - [ 0.0013749600000000, 0.0003991700000000, 0.0001998700000000 ] - [ 0.0013746000000000, 0.0001889500000000, -0.0000978800000000 ] - [ -0.0004863200000000, -0.0002481400000000, 0.0002742500000000 ] - [ -0.0006695200000000, 0.0002708500000000, 0.0000037200000000 ] - [ -0.0006699300000000, -0.0000451900000000, 0.0002225000000000 ] - [ -0.0005600100000000, -0.0002821700000000, 0.0004070200000000 ] - [ -0.0027461100000000, 0.0001999500000000, -0.0020238000000000 ] - [ -0.0000682200000000, -0.0007520500000000, 0.0000942300000000 ] - [ 0.0011420900000000, -0.0001979800000000, -0.0005111100000000 ] - [ 0.0004183400000000, 0.0002805100000000, 0.0009348300000000 ] - [ 0.0000805400000000, 0.0007523200000000, 0.0000360400000000 ] - [ -0.0011418000000000, 0.0044946700000000, -0.0026419700000000 ] - [ 0.0002036500000000, 0.0009107700000000, -0.0002379400000000 ] - [ 0.0002446200000000, 0.0009436100000000, -0.0004372500000000 ] - [ -0.0010194800000000, 0.0002668100000000, -0.0003719400000000 ] - [ -0.0011483800000000, -0.0002040600000000, 0.0001078000000000 ] - [ -0.0008945900000000, 0.0000650600000000, -0.0002184500000000 ] - [ -0.0000113600000000, 0.0007192700000000, 0.0001322600000000 ] - [ -0.0013521800000000, 0.0001811000000000, 0.0001026400000000 ] - [ 0.0006854100000000, -0.0000503400000000, -0.0003037200000000 ] - [ -0.0030104800000000, -0.0035913000000000, -0.0001413600000000 ] - [ -0.0003165900000000, -0.0009607500000000, -0.0005223800000000 ] - [ -0.0000889200000000, -0.0008525600000000, -0.0002036400000000 ] - [ -0.0029145600000000, -0.0007227000000000, -0.0008910500000000 ] - [ -0.0011927900000000, 0.0001866300000000, 0.0002472500000000 ] - [ -0.0010573000000000, -0.0002763500000000, -0.0004171400000000 ] - [ -0.0004527100000000, -0.0012716600000000, 0.0000735400000000 ] - [ 0.0006123000000000, -0.0001037800000000, -0.0001123000000000 ] - [ 0.0006884700000000, -0.0000742100000000, -0.0001977200000000 ] - [ -0.0001931100000000, 0.0006562900000000, 0.0001358100000000 ] - [ -0.0020387400000000, 0.0003885000000000, -0.0018730800000000 ] - [ -0.0001949500000000, 0.0008063100000000, -0.0003975700000000 ] - [ 0.0001204800000000, -0.0006557800000000, -0.0004917100000000 ] - [ 0.0002405500000000, -0.0003875400000000, 0.0001507100000000 ] - [ 0.0000653600000000, -0.0008061100000000, -0.0002250100000000 ] - [ -0.0079726900000000, -0.0201987600000000, -0.0045046000000000 ] - [ 0.0000021900000000, -0.0009761100000000, 0.0003843200000000 ] - [ 0.0003031500000000, -0.0009763900000000, -0.0007744000000000 ] - [ 0.0012814200000000, -0.0006800100000000, 0.0005315500000000 ] - [ 0.0012824300000000, -0.0007790800000000, 0.0005256900000000 ] - [ 0.0009073500000000, -0.0000714300000000, 0.0001476800000000 ] - [ -0.0012427000000000, 0.0027734400000000, 0.0059007900000000 ] - [ -0.0012397100000000, -0.0012513600000000, -0.0050930900000000 ] - [ -0.0006310700000000, -0.0001042700000000, 0.0000537300000000 ] - [ -0.0000554000000000, 0.0016498300000000, 0.0006883000000000 ] - [ -0.0000491500000000, 0.0009437800000000, -0.0001288100000000 ] - [ -0.0000470100000000, 0.0009442100000000, 0.0002812600000000 ] - [ 0.0026428900000000, -0.0020623200000000, 0.0021171400000000 ] - [ 0.0016109900000000, 0.0002614000000000, 0.0001015400000000 ] - [ 0.0002212700000000, -0.0000575700000000, -0.0000545600000000 ] - [ -0.0007813900000000, -0.0004885700000000, -0.0005735300000000 ] - [ -0.0027505200000000, 0.0000485500000000, 0.0004163600000000 ] - [ -0.0003310600000000, 0.0001720600000000, -0.0000928600000000 ] - [ -0.0018779000000000, 0.0000418600000000, 0.0000857400000000 ] - [ -0.0012566000000000, -0.0002903100000000, 0.0004754900000000 ] - [ -0.0002336300000000, 0.0000317700000000, -0.0001487200000000 ] - [ 0.0007106600000000, 0.0003072800000000, 0.0001092000000000 ] - [ 0.0021871800000000, -0.0059070500000000, -0.0025122500000000 ] - [ 0.0003594100000000, -0.0001342300000000, -0.0002029200000000 ] - [ -0.0026242000000000, 0.0003489300000000, 0.0014699900000000 ] - [ -0.0004620100000000, -0.0000425000000000, -0.0008014800000000 ] - [ -0.0000347400000000, 0.0000828500000000, -0.0005043400000000 ] - [ -0.0005671700000000, 0.0007484000000000, -0.0015943000000000 ] - [ -0.0116302100000000, 0.0045173700000000, 0.0025782300000000 ] - [ -0.0000744900000000, 0.0000868200000000, -0.0004999900000000 ] - [ -0.0001993500000000, -0.0001612500000000, -0.0003269500000000 ] - [ -0.0002710900000000, -0.0002846700000000, -0.0006118800000000 ] - [ 0.0000235800000000, -0.0001195800000000, -0.0006245300000000 ] - [ 0.0000319500000000, -0.0001645200000000, -0.0007920900000000 ] - [ -0.0000425700000000, -0.0000086200000000, -0.0002203100000000 ] - [ -0.0001264200000000, -0.0001144200000000, -0.0006528700000000 ] - [ -0.0025583900000000, -0.0058366800000000, -0.0126004000000000 ] - [ 0.0012465400000000, -0.0004701700000000, 0.0026705700000000 ] - [ 0.0000642600000000, 0.0000834400000000, 0.0002303500000000 ] - [ -0.0000243700000000, 0.0000766900000000, 0.0007848000000000 ] - [ 0.0000198400000000, 0.0001961800000000, 0.0002592800000000 ] - [ -0.0000213600000000, 0.0000718900000000, 0.0004646200000000 ] - [ 0.0011886400000000, -0.0011784300000000, 0.0009988300000000 ] - [ 0.0001569100000000, 0.0000078100000000, 0.0005283600000000 ] - [ 0.0001726500000000, -0.0001519900000000, 0.0001880900000000 ] - [ -0.0150513200000000, 0.0060397400000000, -0.0036676300000000 ] - [ 0.0000851500000000, 0.0000768200000000, -0.0000424400000000 ] - [ -0.0006792800000000, -0.0000158700000000, 0.0017303600000000 ] - [ 0.0012896000000000, -0.0016539700000000, -0.0015079400000000 ] - [ 0.0020627200000000, -0.0034581200000000, 0.0078653800000000 ] - [ 0.0004074700000000, 0.0006536900000000, 0.0004334700000000 ] - [ -0.0020305800000000, 0.0002723700000000, 0.0003494800000000 ] - [ -0.0025475600000000, 0.0006401000000000, -0.0012587900000000 ] - [ -0.0009053700000000, -0.0005769400000000, 0.0001029700000000 ] - [ -0.0000549600000000, -0.0015624600000000, -0.0006307900000000 ] - [ 0.0002778800000000, -0.0012553000000000, 0.0005907200000000 ] - [ 0.0004689600000000, -0.0008176100000000, 0.0000107200000000 ] - [ -0.0392344900000000, -0.0263517500000000, -0.0123291900000000 ] - [ -0.0021449900000000, 0.0007276300000000, -0.0006864000000000 ] - [ -0.0012868500000000, 0.0004277900000000, 0.0007837400000000 ] - [ 0.0012165900000000, 0.0001605100000000, 0.0006260200000000 ] - [ 0.0011226300000000, 0.0003614400000000, -0.0004851300000000 ] - [ 0.0008004000000000, 0.0006384600000000, 0.0001242000000000 ] - [ 0.0015947900000000, 0.0018338200000000, 0.0007151900000000 ] - [ -0.0002866300000000, 0.0009320100000000, 0.0001314100000000 ] - [ -0.0004305100000000, 0.0007846900000000, -0.0001363300000000 ] - [ 0.0046339700000000, -0.0026323100000000, 0.0031081200000000 ] - [ 0.0008478700000000, -0.0008394800000000, -0.0002806300000000 ] - [ 0.0010031700000000, -0.0007605100000000, 0.0007450600000000 ] - [ 0.0007938000000000, -0.0007202500000000, -0.0014155200000000 ] - [ 0.0015717900000000, -0.0013073800000000, 0.0002623400000000 ] - [ -0.0005009800000000, -0.0007556200000000, 0.0000966500000000 ] - [ -0.0021989800000000, 0.0000180800000000, -0.0005912700000000 ] - [ 0.0003117700000000, -0.0005179300000000, -0.0001928200000000 ] - [ 0.0003154400000000, -0.0006541600000000, 0.0002169700000000 ] - [ 0.0017157800000000, 0.0008923700000000, -0.0002275000000000 ] - [ 0.0024520200000000, 0.0002313300000000, -0.0004136500000000 ] - [ 0.0009645300000000, 0.0006976200000000, 0.0002079600000000 ] - [ 0.0034470600000000, 0.0009376300000000, 0.0027753300000000 ] - [ 0.0036420900000000, 0.0000776700000000, -0.0049374700000000 ] - [ -0.0004521700000000, -0.0006246200000000, 0.0002192600000000 ] - [ -0.0044589300000000, 0.0054679900000000, -0.0013112200000000 ] - [ -0.0009213100000000, 0.0019855400000000, 0.0016592400000000 ] - [ -0.0011517100000000, 0.0010137600000000, -0.0003809600000000 ] - [ 0.0024327300000000, 0.0048086600000000, 0.0015583200000000 ] - [ -0.0003017100000000, 0.0007143400000000, -0.0003662700000000 ] - [ -0.0005050500000000, 0.0008933700000000, 0.0004735400000000 ] - [ -0.0008621600000000, -0.0000537100000000, -0.0010469000000000 ] - [ -0.0006467000000000, 0.0003991300000000, 0.0012362300000000 ] - [ -0.0007953700000000, -0.0007093900000000, 0.0002272900000000 ] - [ -0.0034533600000000, -0.0027745300000000, 0.0015491200000000 ] - [ -0.0100033500000000, 0.0011335000000000, 0.0045459600000000 ] - [ 0.0003891200000000, 0.0005793400000000, 0.0002310300000000 ] - [ 0.0060397200000000, -0.0025208000000000, -0.0017079100000000 ] - [ 0.0020369300000000, -0.0007811100000000, 0.0011058900000000 ] - [ 0.0015008300000000, -0.0010357200000000, -0.0000914300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0452472300000000, -0.1717789800000000, -0.0923644000000000 ] - [ 0.0006451500000000, -0.0003294500000000, 0.0005344000000000 ] - [ 0.0004371100000000, -0.0003263700000000, 0.0007763600000000 ] - [ -0.0005805700000000, 0.0034656400000000, -0.0015766900000000 ] - [ -0.0007892800000000, 0.0002409100000000, 0.0003122800000000 ] - [ -0.0011058900000000, 0.0002398800000000, 0.0002959000000000 ] - [ -0.0001024800000000, -0.0012490400000000, 0.0001350100000000 ] - [ -0.0000032100000000, -0.0019707200000000, -0.0002445200000000 ] - [ 0.0002419500000000, -0.0009156700000000, 0.0005480700000000 ] - [ -0.0000247900000000, 0.0035800200000000, 0.0034989000000000 ] - [ 0.0000991700000000, 0.0013946600000000, -0.0015000000000000 ] - [ -0.0002428900000000, 0.0009042000000000, 0.0006900600000000 ] - [ -0.0058692800000000, 0.0019821100000000, -0.0042409600000000 ] - [ -0.0037311100000000, 0.0006364600000000, 0.0035452500000000 ] - [ -0.0003550400000000, 0.0005900500000000, 0.0003218700000000 ] - [ -0.0005720700000000, 0.0008427000000000, -0.0004203900000000 ] - [ -0.0010426400000000, 0.0019643900000000, -0.0012641400000000 ] - [ -0.0007701400000000, 0.0000873800000000, -0.0000102900000000 ] - [ 0.0015592800000000, -0.0012226400000000, -0.0008988100000000 ] - [ 0.0010145500000000, -0.0016639300000000, -0.0007349800000000 ] - [ 0.0007845900000000, -0.0001088400000000, 0.0001111800000000 ] - [ 0.0029087500000000, 0.0021932200000000, -0.0005211700000000 ] - [ 0.0009456700000000, -0.0005186700000000, 0.0006843600000000 ] - [ 0.0000685700000000, -0.0007464100000000, -0.0000058100000000 ] - [ -0.0001179900000000, -0.0034157200000000, -0.0020492100000000 ] - [ -0.0010227500000000, -0.0014336600000000, -0.0008521200000000 ] - [ -0.0005593100000000, 0.0002361000000000, 0.0002403000000000 ] - [ 0.0021117900000000, 0.0023343200000000, -0.0009114200000000 ] - [ 0.0009385900000000, 0.0006544700000000, -0.0003961100000000 ] - [ 0.0009094900000000, 0.0001762100000000, -0.0000656200000000 ] - [ -0.0001940800000000, 0.0007145000000000, -0.0006984100000000 ] - [ 0.0025147700000000, 0.0005937500000000, 0.0016239000000000 ] - [ 0.0003414700000000, 0.0007695800000000, 0.0003509900000000 ] - [ 0.0001933900000000, -0.0006452100000000, -0.0005888700000000 ] - [ -0.0025156200000000, 0.0012114200000000, 0.0002183800000000 ] - [ -0.0003426100000000, -0.0006398600000000, 0.0004472000000000 ] - [ 0.0221897800000000, 0.0070218400000000, -0.0105580200000000 ] - [ -0.0004792100000000, -0.0011368200000000, 0.0005106100000000 ] - [ -0.0004811200000000, -0.0008360600000000, 0.0016638900000000 ] - [ 0.0000559600000000, 0.0025860000000000, -0.0009443600000000 ] - [ 0.0001521700000000, 0.0025895300000000, -0.0010001700000000 ] - [ 0.0007641100000000, -0.0000224200000000, 0.0004853900000000 ] - [ -0.0021123900000000, -0.0043193400000000, -0.0015489200000000 ] - [ 0.0019321400000000, -0.0043615300000000, 0.0032776300000000 ] - [ -0.0009394500000000, 0.0001069000000000, 0.0005845400000000 ] - [ -0.0012497100000000, 0.0008889200000000, -0.0009128500000000 ] - [ 0.0001606300000000, 0.0008835900000000, 0.0003570700000000 ] - [ 0.0001611000000000, 0.0008861400000000, 0.0004714400000000 ] - [ -0.0006320300000000, 0.0044930200000000, -0.0050320400000000 ] - [ 0.0032315600000000, 0.0030883100000000, 0.0034055600000000 ] - [ -0.0001323900000000, 0.0000732300000000, 0.0005283900000000 ] - [ 0.0010000300000000, 0.0006885400000000, 0.0011137300000000 ] - [ 0.0031145100000000, 0.0001454300000000, -0.0012143500000000 ] - [ 0.0000737300000000, -0.0001067700000000, 0.0001476800000000 ] - [ 0.0020437600000000, 0.0000648800000000, 0.0001216300000000 ] - [ 0.0005429600000000, 0.0004510000000000, -0.0008545100000000 ] - [ 0.0001491100000000, -0.0000623600000000, 0.0005909700000000 ] - [ -0.0009020100000000, -0.0005574000000000, -0.0002003500000000 ] - [ 0.0046544000000000, 0.0174939800000000, 0.0034194000000000 ] - [ -0.0001523500000000, 0.0001381200000000, 0.0011344200000000 ] - [ 0.0028413100000000, -0.0009283800000000, -0.0028923800000000 ] - [ 0.0002429500000000, -0.0004578300000000, 0.0000623400000000 ] - [ -0.0000259400000000, -0.0001948500000000, -0.0000618300000000 ] - [ 0.0006249700000000, -0.0012331100000000, 0.0010018600000000 ] - [ -0.0063012200000000, -0.0027603000000000, -0.0001300600000000 ] - [ 0.0001824400000000, -0.0005276500000000, 0.0005261300000000 ] - [ 0.0003913200000000, 0.0002774100000000, -0.0005833800000000 ] - [ 0.0005139000000000, 0.0007150700000000, -0.0006144000000000 ] - [ -0.0000789800000000, 0.0002656700000000, 0.0000103900000000 ] - [ -0.0006879400000000, 0.0014531300000000, -0.0007832100000000 ] - [ -0.0000114000000000, 0.0007640200000000, -0.0001086100000000 ] - [ 0.0001529800000000, 0.0002497500000000, 0.0001022200000000 ] - [ 0.0109144800000000, -0.0196959400000000, 0.0158711300000000 ] - [ -0.0008015200000000, -0.0027250400000000, 0.0007091900000000 ] - [ 0.0003261200000000, -0.0005365300000000, 0.0014608000000000 ] - [ -0.0010945900000000, 0.0014843500000000, 0.0013121900000000 ] - [ 0.0000521100000000, 0.0009022800000000, 0.0007322900000000 ] - [ -0.0002664600000000, 0.0003140800000000, 0.0009822700000000 ] - [ -0.0008350500000000, 0.0028017900000000, -0.0008195100000000 ] - [ 0.0000582000000000, 0.0004621600000000, 0.0008703300000000 ] - [ 0.0005006800000000, 0.0013540800000000, 0.0021687000000000 ] - [ -0.0003115100000000, -0.0039257700000000, 0.0000227500000000 ] - [ -0.0001065700000000, -0.0005825300000000, 0.0011966200000000 ] - [ -0.0004814300000000, -0.0006284700000000, 0.0007348000000000 ] - [ 0.0023618700000000, 0.0019852000000000, -0.0007594600000000 ] - [ -0.0009378900000000, 0.0082812500000000, 0.0004637000000000 ] - [ 0.0007938300000000, 0.0008125600000000, -0.0007558000000000 ] - [ 0.0021018100000000, -0.0050497300000000, -0.0032219700000000 ] - [ 0.0008588500000000, -0.0039785300000000, 0.0038540400000000 ] - [ -0.0005520300000000, -0.0007785600000000, -0.0005946600000000 ] - [ 0.0024217500000000, -0.0033045000000000, 0.0011597300000000 ] - [ 0.0008147200000000, -0.0008450600000000, -0.0000304700000000 ] - [ 0.0009077200000000, -0.0007995200000000, -0.0006552600000000 ] - [ 0.0233382600000000, 0.1649560200000000, 0.0782917800000000 ] - [ -0.0001466700000000, 0.0015056800000000, -0.0004796000000000 ] - [ -0.0000894600000000, 0.0010851100000000, -0.0016917900000000 ] - [ 0.0005342700000000, -0.0004326600000000, 0.0008086000000000 ] - [ 0.0022094000000000, -0.0014283500000000, -0.0006262700000000 ] - [ 0.0007848500000000, 0.0004619400000000, -0.0007950700000000 ] - [ -0.0026405800000000, -0.0013342400000000, -0.0001374500000000 ] - [ -0.0011132200000000, -0.0000459100000000, -0.0006670100000000 ] - [ -0.0008520100000000, 0.0005335700000000, -0.0000373700000000 ] - [ 0.0051346500000000, 0.0021905700000000, 0.0023727800000000 ] - [ 0.0019386800000000, 0.0010548700000000, -0.0011758400000000 ] - [ 0.0004688100000000, -0.0005406800000000, -0.0009721900000000 ] - [ -0.0015053500000000, -0.0004834900000000, 0.0021560900000000 ] - [ -0.0019402900000000, 0.0007601300000000, -0.0005976600000000 ] - [ -0.0007916400000000, -0.0005378000000000, -0.0007259200000000 ] - [ 0.0040675000000000, -0.0086576300000000, 0.0026857500000000 ] - [ 0.0013918500000000, -0.0028213200000000, -0.0013102900000000 ] - [ 0.0010232400000000, -0.0013753000000000, -0.0006295700000000 ] - [ 0.0002991000000000, -0.0003283000000000, -0.0001896400000000 ] - [ -0.0000290600000000, -0.0008086100000000, 0.0011454600000000 ] - [ 0.0005516500000000, 0.0005012300000000, -0.0005628800000000 ] - [ -0.0079320100000000, -0.0012378700000000, -0.0038287900000000 ] - [ -0.0042864700000000, 0.0036843400000000, 0.0066433400000000 ] - [ -0.0007035600000000, -0.0003952100000000, -0.0010300200000000 ] - [ -0.0110445800000000, 0.0014663800000000, 0.0062802900000000 ] - [ -0.0017160600000000, 0.0012909400000000, -0.0023276200000000 ] - [ -0.0003179300000000, 0.0011126300000000, -0.0003035200000000 ] - [ -0.0060237500000000, -0.0067325800000000, -0.0006891600000000 ] - [ -0.0008206400000000, 0.0001117700000000, 0.0005143100000000 ] - [ -0.0013515800000000, 0.0002247100000000, -0.0012589900000000 ] - [ -0.0011023200000000, -0.0029754100000000, 0.0018352300000000 ] - [ -0.0029657000000000, -0.0052147900000000, -0.0015800200000000 ] - [ -0.0007356500000000, -0.0010076300000000, -0.0008352500000000 ] - [ 0.0052401900000000, 0.0074603000000000, 0.0038269700000000 ] - [ 0.0023996600000000, 0.0037814300000000, -0.0043710300000000 ] - [ 0.0008272500000000, 0.0009365300000000, -0.0013445400000000 ] - [ -0.0010327300000000, 0.0020384600000000, 0.0004417900000000 ] - [ 0.0003263200000000, 0.0002176100000000, -0.0000068900000000 ] - [ 0.0003654400000000, -0.0002305500000000, -0.0005957500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0502078400000000, 0.1783741500000000, 0.0975483200000000 ] - [ 0.0009822600000000, 0.0003659800000000, -0.0001761800000000 ] - [ 0.0011941100000000, 0.0003693300000000, -0.0004088600000000 ] - [ -0.0010491100000000, -0.0035175400000000, 0.0019500800000000 ] - [ -0.0008373900000000, -0.0002800300000000, 0.0000521000000000 ] - [ -0.0005190600000000, -0.0002811600000000, 0.0000655100000000 ] - [ 0.0001392500000000, -0.0003716600000000, 0.0002341000000000 ] - [ 0.0000140400000000, 0.0003528800000000, 0.0005865100000000 ] - [ -0.0002017000000000, -0.0007105200000000, -0.0001837000000000 ] - [ -0.0000424800000000, -0.0019696700000000, -0.0031719100000000 ] - [ -0.0001424700000000, 0.0002341900000000, 0.0018777200000000 ] - [ 0.0002006900000000, 0.0007244800000000, -0.0003269800000000 ] - [ 0.0058576300000000, -0.0003579100000000, 0.0038523900000000 ] - [ 0.0037440100000000, 0.0009900500000000, -0.0038822300000000 ] - [ 0.0004000800000000, 0.0010375400000000, -0.0006914400000000 ] - [ -0.0010589600000000, -0.0008010000000000, 0.0000520900000000 ] - [ -0.0005881800000000, -0.0019237200000000, 0.0009019900000000 ] - [ -0.0008583600000000, -0.0000430000000000, -0.0003581000000000 ] - [ 0.0000671800000000, 0.0011790700000000, 0.0005298700000000 ] - [ 0.0006064900000000, 0.0016183200000000, 0.0003656600000000 ] - [ 0.0008429200000000, 0.0000631000000000, -0.0004797500000000 ] - [ -0.0029545400000000, -0.0038190800000000, 0.0001572300000000 ] - [ -0.0009907000000000, -0.0011112800000000, -0.0010515700000000 ] - [ -0.0001121100000000, -0.0008823100000000, -0.0003620900000000 ] - [ -0.0015082900000000, 0.0033848600000000, 0.0016898100000000 ] - [ -0.0006057200000000, 0.0013848100000000, 0.0004820200000000 ] - [ -0.0010703200000000, -0.0002827100000000, -0.0006105600000000 ] - [ -0.0004888100000000, -0.0022953800000000, 0.0005454100000000 ] - [ 0.0006877400000000, -0.0006123500000000, 0.0000308300000000 ] - [ 0.0007174700000000, -0.0001334700000000, -0.0003027800000000 ] - [ 0.0001510100000000, 0.0009102400000000, 0.0003309000000000 ] - [ -0.0025557300000000, 0.0010283200000000, -0.0019836800000000 ] - [ -0.0003873700000000, 0.0008581100000000, -0.0007210900000000 ] - [ -0.0001514600000000, -0.0009847400000000, 0.0002221400000000 ] - [ 0.0025552400000000, -0.0028398200000000, -0.0005864600000000 ] - [ 0.0003862300000000, -0.0009882100000000, -0.0008137700000000 ] - [ -0.0224597000000000, -0.0088051700000000, 0.0109527700000000 ] - [ 0.0004442900000000, -0.0004855200000000, -0.0001522100000000 ] - [ 0.0004417800000000, -0.0007877500000000, -0.0013017200000000 ] - [ 0.0015772800000000, -0.0026418600000000, 0.0013147300000000 ] - [ 0.0014806400000000, -0.0026379900000000, 0.0013706700000000 ] - [ 0.0008640800000000, -0.0000191900000000, -0.0001221500000000 ] - [ 0.0004472100000000, 0.0043999100000000, 0.0020040800000000 ] - [ -0.0035841900000000, 0.0043576400000000, -0.0029676100000000 ] - [ -0.0006873400000000, -0.0000664500000000, -0.0002208000000000 ] - [ 0.0013035800000000, 0.0007509800000000, 0.0012921600000000 ] - [ -0.0001182100000000, 0.0007464800000000, 0.0000064700000000 ] - [ -0.0001174500000000, 0.0007442700000000, -0.0001047500000000 ] - [ 0.0006432300000000, -0.0044619800000000, 0.0050116700000000 ] - [ -0.0032183300000000, -0.0030801400000000, -0.0034099400000000 ] - [ 0.0001349500000000, -0.0000745300000000, -0.0005322500000000 ] - [ -0.0010050600000000, -0.0006863900000000, -0.0011178100000000 ] - [ -0.0031487000000000, -0.0001442000000000, 0.0012253100000000 ] - [ -0.0000740000000000, 0.0001094400000000, -0.0001491100000000 ] - [ -0.0020613400000000, -0.0000552100000000, -0.0001209700000000 ] - [ -0.0005514900000000, -0.0004512000000000, 0.0008581100000000 ] - [ -0.0001502800000000, 0.0000656600000000, -0.0005939000000000 ] - [ 0.0009069000000000, 0.0005557600000000, 0.0001950700000000 ] - [ -0.0045947200000000, -0.0173318000000000, -0.0033804900000000 ] - [ 0.0001563700000000, -0.0001421400000000, -0.0011369800000000 ] - [ -0.0026982500000000, 0.0010455500000000, 0.0018752200000000 ] - [ -0.0001169500000000, 0.0005848500000000, -0.0010748600000000 ] - [ 0.0001575400000000, 0.0003259800000000, -0.0009509200000000 ] - [ -0.0007611600000000, 0.0013674300000000, -0.0020208700000000 ] - [ 0.0062397100000000, 0.0028285700000000, -0.0008826600000000 ] - [ -0.0003130200000000, 0.0006546700000000, -0.0015346700000000 ] - [ -0.0002588300000000, -0.0004103100000000, -0.0004295100000000 ] - [ -0.0003841900000000, -0.0008461900000000, -0.0003924600000000 ] - [ 0.0002101000000000, -0.0003986300000000, -0.0010235600000000 ] - [ 0.0005568600000000, -0.0015942300000000, -0.0002303300000000 ] - [ -0.0001202700000000, -0.0008941600000000, -0.0008997500000000 ] - [ -0.0002858500000000, -0.0003822900000000, -0.0011165800000000 ] - [ -0.0108331600000000, 0.0198673600000000, -0.0148925800000000 ] - [ 0.0009414000000000, 0.0026030700000000, 0.0002623800000000 ] - [ -0.0001951900000000, 0.0004055200000000, -0.0004521500000000 ] - [ 0.0009650600000000, -0.0013509000000000, -0.0003022600000000 ] - [ -0.0001840400000000, -0.0007670000000000, 0.0002785600000000 ] - [ 0.0001357600000000, -0.0001831500000000, 0.0000270100000000 ] - [ 0.0009728300000000, -0.0026765100000000, 0.0018480600000000 ] - [ 0.0000729900000000, -0.0003297600000000, 0.0001405400000000 ] - [ -0.0003771500000000, -0.0012347000000000, -0.0011754400000000 ] - [ 0.0000499500000000, 0.0038331800000000, 0.0009630400000000 ] - [ -0.0000253700000000, 0.0004525300000000, -0.0001907500000000 ] - [ 0.0003432300000000, 0.0005026700000000, 0.0002930700000000 ] - [ -0.0009932100000000, -0.0006769900000000, 0.0008046700000000 ] - [ 0.0024289300000000, -0.0069916500000000, -0.0002648300000000 ] - [ 0.0005745600000000, 0.0005546000000000, 0.0008246000000000 ] - [ -0.0034787800000000, 0.0037209400000000, 0.0033271000000000 ] - [ -0.0022445700000000, 0.0026122100000000, -0.0038204300000000 ] - [ -0.0008170400000000, -0.0005930200000000, 0.0006608300000000 ] - [ -0.0010810500000000, 0.0019380400000000, -0.0011086600000000 ] - [ 0.0005509000000000, -0.0005319100000000, 0.0000980300000000 ] - [ 0.0004554400000000, -0.0005744700000000, 0.0007215700000000 ] - [ -0.0278799700000000, -0.1708431000000000, -0.0834643500000000 ] - [ -0.0012190200000000, -0.0001506600000000, 0.0005680300000000 ] - [ -0.0012836500000000, 0.0002781800000000, 0.0017583700000000 ] - [ 0.0008377200000000, 0.0018042300000000, -0.0008685800000000 ] - [ -0.0008378400000000, 0.0027972400000000, 0.0005608900000000 ] - [ 0.0005852800000000, 0.0009053700000000, 0.0007361000000000 ] - [ 0.0012748700000000, 0.0027060300000000, 0.0000712300000000 ] - [ -0.0002525300000000, 0.0014163500000000, 0.0006070800000000 ] - [ -0.0005155800000000, 0.0008364300000000, -0.0000221600000000 ] - [ -0.0037849700000000, -0.0035381700000000, -0.0024762800000000 ] - [ -0.0005660000000000, -0.0024078900000000, 0.0011158700000000 ] - [ 0.0009003500000000, -0.0008261600000000, 0.0009132000000000 ] - [ 0.0001371600000000, -0.0008863400000000, -0.0022161500000000 ] - [ 0.0005731500000000, -0.0021172300000000, 0.0005368300000000 ] - [ -0.0005745500000000, -0.0008311600000000, 0.0006661800000000 ] - [ -0.0026657300000000, 0.0072566800000000, -0.0026979500000000 ] - [ 0.0000086300000000, 0.0014117300000000, 0.0013054600000000 ] - [ 0.0003790700000000, -0.0000250900000000, 0.0006377600000000 ] - [ 0.0011142700000000, 0.0017316400000000, 0.0001890200000000 ] - [ 0.0014505900000000, 0.0022056000000000, -0.0011555200000000 ] - [ 0.0008559400000000, 0.0009021800000000, 0.0005669800000000 ] - [ 0.0065431800000000, -0.0001770700000000, 0.0038419100000000 ] - [ 0.0028750000000000, -0.0051287800000000, -0.0066736400000000 ] - [ -0.0007038700000000, -0.0010083700000000, 0.0010365900000000 ] - [ 0.0099275700000000, 0.0001857900000000, -0.0063594700000000 ] - [ 0.0003102800000000, 0.0001337700000000, 0.0023449700000000 ] - [ -0.0010901600000000, 0.0003005400000000, 0.0003025000000000 ] - [ 0.0046492300000000, 0.0081801300000000, 0.0006928100000000 ] - [ -0.0005843300000000, 0.0012885200000000, -0.0005171900000000 ] - [ -0.0000472100000000, 0.0011777200000000, 0.0012688400000000 ] - [ -0.0003155300000000, 0.0015689000000000, -0.0018308600000000 ] - [ 0.0015642000000000, 0.0038147300000000, 0.0015846200000000 ] - [ -0.0006704100000000, -0.0003985200000000, 0.0008401500000000 ] - [ -0.0038505700000000, -0.0060448000000000, -0.0038375900000000 ] - [ -0.0010871900000000, -0.0021120500000000, 0.0048233000000000 ] - [ 0.0005740300000000, 0.0004724800000000, 0.0013495400000000 ] - [ 0.0024793000000000, -0.0034673000000000, -0.0004600000000000 ] - [ 0.0010927500000000, -0.0016229700000000, 0.0000197700000000 ] - [ 0.0010483900000000, -0.0011783600000000, 0.0005964400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0185301000000000, -0.0938762800000000, -0.1127338200000000 ] - [ 0.0010991500000000, 0.0006183400000000, 0.0018051300000000 ] - [ 0.0007979100000000, 0.0003792900000000, 0.0018012500000000 ] - [ -0.0007191400000000, 0.0017497700000000, -0.0014523900000000 ] - [ -0.0007748900000000, -0.0001371500000000, 0.0006852500000000 ] - [ -0.0009957400000000, -0.0001540600000000, 0.0006864200000000 ] - [ -0.0016641000000000, -0.0000646400000000, -0.0009112300000000 ] - [ 0.0033707700000000, -0.0015159700000000, 0.0015041400000000 ] - [ 0.0005327100000000, -0.0009630500000000, 0.0011092700000000 ] - [ 0.0003903400000000, 0.0030330600000000, 0.0015090300000000 ] - [ 0.0000257000000000, 0.0005885700000000, -0.0009206100000000 ] - [ -0.0003897300000000, 0.0009040400000000, 0.0011094200000000 ] - [ 0.0040690900000000, -0.0016321800000000, -0.0020957100000000 ] - [ -0.0037113800000000, 0.0007621600000000, 0.0034281000000000 ] - [ -0.0004859300000000, 0.0005592700000000, 0.0006915700000000 ] - [ -0.0006262600000000, 0.0002580900000000, -0.0001444100000000 ] - [ -0.0011088000000000, 0.0011126500000000, -0.0010833900000000 ] - [ -0.0007788600000000, -0.0001514500000000, 0.0003006100000000 ] - [ 0.0011344200000000, -0.0007353000000000, -0.0003317600000000 ] - [ 0.0011004000000000, -0.0005768700000000, -0.0008964400000000 ] - [ 0.0006928300000000, 0.0002732800000000, 0.0005617400000000 ] - [ -0.0003689000000000, -0.0008670800000000, -0.0008201000000000 ] - [ 0.0008496600000000, -0.0004715700000000, 0.0003101000000000 ] - [ 0.0001568500000000, -0.0007935400000000, 0.0003704500000000 ] - [ -0.0001059900000000, -0.0018953000000000, -0.0020023800000000 ] - [ -0.0012468200000000, -0.0006934100000000, -0.0004830000000000 ] - [ -0.0005796700000000, 0.0004048900000000, 0.0006578100000000 ] - [ 0.0010756000000000, 0.0007534100000000, -0.0008958700000000 ] - [ 0.0008848800000000, 0.0002374200000000, -0.0002197400000000 ] - [ 0.0007998000000000, -0.0000972000000000, 0.0003165500000000 ] - [ -0.0004271200000000, 0.0005075400000000, -0.0001926000000000 ] - [ 0.0003806500000000, 0.0011480500000000, -0.0010026300000000 ] - [ 0.0006100300000000, 0.0007726600000000, 0.0007131900000000 ] - [ 0.0005371200000000, -0.0011374600000000, -0.0001921400000000 ] - [ -0.0017929600000000, 0.0008934500000000, -0.0010041300000000 ] - [ -0.0005160700000000, -0.0005981600000000, 0.0007138500000000 ] - [ 0.0107422400000000, -0.0054174000000000, -0.0147665400000000 ] - [ -0.0015135800000000, -0.0017819100000000, 0.0018692100000000 ] - [ -0.0003548700000000, -0.0006143900000000, 0.0018623100000000 ] - [ 0.0004700000000000, 0.0011654400000000, -0.0005293100000000 ] - [ 0.0004623200000000, 0.0011128100000000, -0.0005324400000000 ] - [ 0.0008505900000000, -0.0003276700000000, 0.0008889100000000 ] - [ -0.0060830500000000, 0.0031321600000000, 0.0071043400000000 ] - [ 0.0049800500000000, -0.0017638700000000, 0.0072133800000000 ] - [ -0.0009447300000000, 0.0004262000000000, 0.0012569200000000 ] - [ -0.0010831200000000, 0.0003044400000000, -0.0016193000000000 ] - [ 0.0003117600000000, 0.0007165700000000, 0.0007727500000000 ] - [ 0.0001983900000000, 0.0011283700000000, 0.0007733000000000 ] - [ -0.0011040400000000, -0.0022887100000000, -0.0013442700000000 ] - [ 0.0042755500000000, 0.0039032600000000, 0.0030112600000000 ] - [ 0.0000587100000000, -0.0000077100000000, 0.0012387300000000 ] - [ 0.0008373800000000, 0.0010773000000000, 0.0012047600000000 ] - [ 0.0012829900000000, -0.0000396700000000, -0.0014009200000000 ] - [ -0.0000311700000000, -0.0002608800000000, 0.0007431100000000 ] - [ 0.0010933600000000, 0.0002524300000000, -0.0011117900000000 ] - [ 0.0006241700000000, -0.0001204900000000, -0.0003651600000000 ] - [ -0.0000207000000000, 0.0000166300000000, 0.0011279900000000 ] - [ -0.0007933700000000, -0.0008598700000000, 0.0010684500000000 ] - [ 0.0032866300000000, 0.0079935400000000, -0.0030928800000000 ] - [ -0.0002243800000000, 0.0003765600000000, 0.0015620500000000 ] - [ 0.0003658600000000, 0.0000816200000000, -0.0015487000000000 ] - [ 0.0008457900000000, 0.0004067000000000, -0.0006450200000000 ] - [ -0.0003322500000000, -0.0003988100000000, 0.0006275600000000 ] - [ 0.0009634500000000, -0.0010543300000000, 0.0012881900000000 ] - [ -0.0079995200000000, 0.0014738000000000, -0.0044865300000000 ] - [ 0.0001715400000000, -0.0004580900000000, 0.0008787100000000 ] - [ -0.0001455200000000, 0.0001251000000000, -0.0000853200000000 ] - [ 0.0006136800000000, -0.0001771800000000, -0.0015703000000000 ] - [ -0.0001456600000000, 0.0002549500000000, 0.0002115200000000 ] - [ -0.0003178900000000, 0.0000146800000000, -0.0011647100000000 ] - [ -0.0002191500000000, 0.0003466300000000, -0.0004776400000000 ] - [ 0.0002947000000000, 0.0003222000000000, 0.0004906800000000 ] - [ 0.0111769800000000, 0.0057654900000000, 0.0180424700000000 ] - [ -0.0012798200000000, -0.0037127100000000, 0.0059004400000000 ] - [ 0.0006267800000000, -0.0006929600000000, 0.0021852500000000 ] - [ -0.0004907600000000, 0.0005504700000000, 0.0002623200000000 ] - [ 0.0000800300000000, 0.0000069800000000, 0.0005412400000000 ] - [ -0.0004266500000000, 0.0004756900000000, 0.0014864400000000 ] - [ -0.0007435500000000, 0.0006264200000000, -0.0013584400000000 ] - [ 0.0002485300000000, 0.0003948600000000, 0.0013160800000000 ] - [ 0.0005092100000000, 0.0009748900000000, 0.0018205000000000 ] - [ 0.0045843600000000, -0.0002664500000000, -0.0039519900000000 ] - [ -0.0001988600000000, -0.0008056900000000, 0.0020124200000000 ] - [ -0.0016674200000000, -0.0003274800000000, 0.0031044000000000 ] - [ 0.0042662700000000, -0.0036947600000000, -0.0024476600000000 ] - [ -0.0082018800000000, 0.0057512600000000, 0.0007764600000000 ] - [ 0.0007305100000000, 0.0009347100000000, -0.0018778500000000 ] - [ 0.0008289600000000, -0.0036120300000000, -0.0020383200000000 ] - [ 0.0004367300000000, -0.0009294900000000, 0.0029248000000000 ] - [ -0.0006976700000000, -0.0006048500000000, -0.0013465900000000 ] - [ 0.0018827500000000, -0.0015445700000000, 0.0023547900000000 ] - [ 0.0006889100000000, -0.0002019800000000, -0.0005972400000000 ] - [ 0.0008218700000000, -0.0009903400000000, -0.0013109000000000 ] - [ 0.0106345300000000, 0.0811417100000000, 0.0788628500000000 ] - [ -0.0011515700000000, 0.0028208100000000, -0.0041251100000000 ] - [ -0.0006279000000000, 0.0006093800000000, -0.0026216100000000 ] - [ 0.0002282100000000, 0.0007340300000000, 0.0004877800000000 ] - [ 0.0019852400000000, -0.0005468900000000, -0.0000742200000000 ] - [ 0.0007978400000000, 0.0004399300000000, -0.0013137800000000 ] - [ -0.0008427000000000, 0.0004623300000000, 0.0015130300000000 ] - [ -0.0009448400000000, 0.0002057900000000, -0.0008227700000000 ] - [ -0.0006727900000000, 0.0006178700000000, -0.0007303200000000 ] - [ 0.0002726400000000, -0.0010358900000000, 0.0064515900000000 ] - [ 0.0020293700000000, 0.0005255200000000, -0.0015082900000000 ] - [ 0.0004142200000000, -0.0003710600000000, -0.0017313400000000 ] - [ -0.0005424100000000, -0.0002026300000000, 0.0008929400000000 ] - [ -0.0012794200000000, -0.0009645900000000, 0.0006635900000000 ] - [ -0.0006702200000000, -0.0005699800000000, -0.0014554300000000 ] - [ 0.0015768500000000, -0.0023159400000000, 0.0038980000000000 ] - [ 0.0016344800000000, -0.0026021300000000, -0.0016496100000000 ] - [ 0.0006969000000000, -0.0007621500000000, -0.0015096300000000 ] - [ 0.0006720200000000, -0.0002637500000000, 0.0001373800000000 ] - [ -0.0001012800000000, 0.0012522200000000, 0.0015810800000000 ] - [ 0.0006047700000000, 0.0007629000000000, -0.0014048300000000 ] - [ -0.0075050000000000, -0.0022494000000000, -0.0024367200000000 ] - [ -0.0001852200000000, 0.0019880300000000, 0.0041311300000000 ] - [ -0.0004214500000000, -0.0006466700000000, -0.0022508700000000 ] - [ -0.0042543400000000, 0.0001409300000000, 0.0119669700000000 ] - [ -0.0024690600000000, -0.0001657300000000, -0.0035314400000000 ] - [ -0.0004174600000000, 0.0014360800000000, -0.0020254700000000 ] - [ -0.0029627000000000, -0.0019597100000000, 0.0015309200000000 ] - [ -0.0004841200000000, 0.0010663000000000, -0.0001951100000000 ] - [ -0.0010289600000000, 0.0002098100000000, -0.0017073800000000 ] - [ 0.0001234800000000, -0.0005629800000000, 0.0001225800000000 ] - [ -0.0025137800000000, -0.0032997100000000, 0.0010344300000000 ] - [ -0.0009273100000000, -0.0009408100000000, -0.0016444600000000 ] - [ 0.0011469100000000, 0.0078449100000000, -0.0050687400000000 ] - [ -0.0020141700000000, 0.0013518100000000, 0.0082387200000000 ] - [ 0.0009196500000000, 0.0005810100000000, -0.0025657100000000 ] - [ -0.0008307200000000, 0.0006665000000000, 0.0030106800000000 ] - [ -0.0001644500000000, -0.0004102200000000, -0.0015727900000000 ] - [ 0.0009978100000000, -0.0007407600000000, -0.0017215400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0216620100000000, 0.0959776100000000, 0.1133698500000000 ] - [ 0.0005345400000000, -0.0005679600000000, -0.0014236800000000 ] - [ 0.0008294100000000, -0.0003317900000000, -0.0014272400000000 ] - [ -0.0009097600000000, -0.0017766700000000, 0.0018058300000000 ] - [ -0.0008530400000000, 0.0000939400000000, -0.0003157600000000 ] - [ -0.0006347600000000, 0.0001068200000000, -0.0003144400000000 ] - [ 0.0017132200000000, -0.0015680400000000, 0.0012846300000000 ] - [ -0.0033009400000000, -0.0001141400000000, -0.0011325800000000 ] - [ -0.0004848700000000, -0.0006666400000000, -0.0007369900000000 ] - [ -0.0004400800000000, -0.0013982500000000, -0.0011276000000000 ] - [ -0.0000728300000000, 0.0010398500000000, 0.0012754600000000 ] - [ 0.0003424500000000, 0.0007246500000000, -0.0007367400000000 ] - [ -0.0040244600000000, 0.0032534700000000, 0.0017345800000000 ] - [ 0.0037160700000000, 0.0008645600000000, -0.0037581400000000 ] - [ 0.0005267700000000, 0.0010683800000000, -0.0010527400000000 ] - [ -0.0010009600000000, -0.0002148300000000, -0.0002192500000000 ] - [ -0.0005249800000000, -0.0010539900000000, 0.0007053900000000 ] - [ -0.0008499300000000, 0.0001958500000000, -0.0006658700000000 ] - [ 0.0004941600000000, 0.0006939400000000, -0.0000316800000000 ] - [ 0.0005307600000000, 0.0005244100000000, 0.0005193000000000 ] - [ 0.0009355200000000, -0.0003173200000000, -0.0009256500000000 ] - [ 0.0003101800000000, -0.0007754100000000, 0.0004502500000000 ] - [ -0.0008862600000000, -0.0011546200000000, -0.0006743300000000 ] - [ -0.0001987400000000, -0.0008339900000000, -0.0007327300000000 ] - [ -0.0015131700000000, 0.0018447300000000, 0.0016305100000000 ] - [ -0.0003877700000000, 0.0006412100000000, 0.0001086900000000 ] - [ -0.0010477900000000, -0.0004458300000000, -0.0010197000000000 ] - [ 0.0005559100000000, -0.0007036200000000, 0.0005259100000000 ] - [ 0.0007441900000000, -0.0001895500000000, -0.0001495500000000 ] - [ 0.0008281200000000, 0.0001395600000000, -0.0006799000000000 ] - [ 0.0003843900000000, 0.0011218500000000, -0.0001707800000000 ] - [ -0.0004234500000000, 0.0004794000000000, 0.0006245300000000 ] - [ -0.0006504700000000, 0.0008568700000000, -0.0010751900000000 ] - [ -0.0004926300000000, -0.0004917800000000, -0.0001704700000000 ] - [ 0.0018146600000000, -0.0025050000000000, 0.0006230300000000 ] - [ 0.0005557300000000, -0.0010283900000000, -0.0010745700000000 ] - [ -0.0107693600000000, 0.0038806400000000, 0.0151278500000000 ] - [ 0.0014525400000000, 0.0001405600000000, -0.0014830800000000 ] - [ 0.0003081900000000, -0.0010153900000000, -0.0014898300000000 ] - [ 0.0011567300000000, -0.0012047400000000, 0.0008947100000000 ] - [ 0.0011629300000000, -0.0011455400000000, 0.0008917700000000 ] - [ 0.0007782500000000, 0.0002805400000000, -0.0005169800000000 ] - [ 0.0045192900000000, -0.0031143600000000, -0.0068327200000000 ] - [ -0.0064999100000000, 0.0017883700000000, -0.0067241900000000 ] - [ -0.0006843500000000, -0.0003794500000000, -0.0008838200000000 ] - [ 0.0011210900000000, 0.0013264900000000, 0.0019774900000000 ] - [ -0.0002650800000000, 0.0009124300000000, -0.0004033300000000 ] - [ -0.0001527200000000, 0.0005003500000000, -0.0004026300000000 ] - [ 0.0011071200000000, 0.0022874300000000, 0.0013418600000000 ] - [ -0.0042171000000000, -0.0038626300000000, -0.0029774300000000 ] - [ -0.0000580900000000, 0.0000107200000000, -0.0012306900000000 ] - [ -0.0008366100000000, -0.0010808300000000, -0.0012023200000000 ] - [ -0.0012716800000000, 0.0000388800000000, 0.0013893700000000 ] - [ 0.0000302900000000, 0.0002592600000000, -0.0007403800000000 ] - [ -0.0010852800000000, -0.0002533900000000, 0.0011189700000000 ] - [ -0.0006211200000000, 0.0001221400000000, 0.0003570900000000 ] - [ 0.0000216000000000, -0.0000163000000000, -0.0011222800000000 ] - [ 0.0007881600000000, 0.0008578600000000, -0.0010583900000000 ] - [ -0.0032568300000000, -0.0079090000000000, 0.0030393500000000 ] - [ 0.0002228900000000, -0.0003727800000000, -0.0015498600000000 ] - [ -0.0002422400000000, 0.0000515300000000, 0.0005480100000000 ] - [ -0.0007064800000000, -0.0002722400000000, -0.0003727200000000 ] - [ 0.0004613600000000, 0.0005274100000000, -0.0016310500000000 ] - [ -0.0010892500000000, 0.0011822600000000, -0.0022870300000000 ] - [ 0.0078726200000000, -0.0013598700000000, 0.0034210700000000 ] - [ -0.0003026900000000, 0.0005846700000000, -0.0018782100000000 ] - [ 0.0002732300000000, -0.0002537600000000, -0.0009183100000000 ] - [ -0.0004777500000000, 0.0000451400000000, 0.0005503300000000 ] - [ 0.0002752300000000, -0.0003842300000000, -0.0012181200000000 ] - [ 0.0001844400000000, -0.0001423600000000, 0.0001547300000000 ] - [ 0.0000852500000000, -0.0004733100000000, -0.0005337300000000 ] - [ -0.0004228000000000, -0.0004495900000000, -0.0014930200000000 ] - [ -0.0112312100000000, -0.0062699000000000, -0.0172643900000000 ] - [ 0.0013871300000000, 0.0035354200000000, -0.0048169600000000 ] - [ -0.0004947300000000, 0.0005589000000000, -0.0011669200000000 ] - [ 0.0003549200000000, -0.0004163000000000, 0.0007501500000000 ] - [ -0.0002072300000000, 0.0001239500000000, 0.0004652900000000 ] - [ 0.0002934600000000, -0.0003434200000000, -0.0004704300000000 ] - [ 0.0008619000000000, -0.0004856500000000, 0.0023513100000000 ] - [ -0.0001182700000000, -0.0002629100000000, -0.0003022300000000 ] - [ -0.0003766700000000, -0.0008391000000000, -0.0008013400000000 ] - [ -0.0047599500000000, 0.0001610900000000, 0.0048907600000000 ] - [ 0.0000693400000000, 0.0006693800000000, -0.0009937100000000 ] - [ 0.0015422600000000, 0.0001914900000000, -0.0021053600000000 ] - [ -0.0028932000000000, 0.0050907900000000, 0.0024989600000000 ] - [ 0.0094806300000000, -0.0043597100000000, -0.0006545000000000 ] - [ 0.0006369400000000, 0.0004372300000000, 0.0019294000000000 ] - [ -0.0021869700000000, 0.0022298800000000, 0.0020849700000000 ] - [ -0.0017891500000000, -0.0004438200000000, -0.0028342600000000 ] - [ -0.0006719700000000, -0.0007610700000000, 0.0014003600000000 ] - [ -0.0005104200000000, 0.0001668500000000, -0.0022842300000000 ] - [ 0.0006773500000000, -0.0011645200000000, 0.0006596000000000 ] - [ 0.0005485700000000, -0.0003769200000000, 0.0013647100000000 ] - [ -0.0131352300000000, -0.0823275900000000, -0.0796794500000000 ] - [ -0.0002275800000000, -0.0014305200000000, 0.0041519500000000 ] - [ -0.0007409100000000, 0.0007604100000000, 0.0026727500000000 ] - [ 0.0011373500000000, 0.0006370500000000, -0.0005539100000000 ] - [ -0.0006010700000000, 0.0019028600000000, 0.0000140700000000 ] - [ 0.0005724100000000, 0.0009256900000000, 0.0012434900000000 ] - [ -0.0005210000000000, 0.0009066500000000, -0.0015570400000000 ] - [ -0.0004268400000000, 0.0011592900000000, 0.0007582400000000 ] - [ -0.0006962700000000, 0.0007504100000000, 0.0006608000000000 ] - [ 0.0010631800000000, -0.0003135800000000, -0.0064998200000000 ] - [ -0.0006471100000000, -0.0018822800000000, 0.0014401800000000 ] - [ 0.0009524000000000, -0.0009967000000000, 0.0016589800000000 ] - [ -0.0008259900000000, -0.0011641300000000, -0.0009641000000000 ] - [ -0.0000954600000000, -0.0004009500000000, -0.0007095800000000 ] - [ -0.0006979800000000, -0.0007976300000000, 0.0013854900000000 ] - [ -0.0001576100000000, 0.0009064200000000, -0.0038694200000000 ] - [ -0.0002188200000000, 0.0011747500000000, 0.0016358200000000 ] - [ 0.0007108000000000, -0.0006452400000000, 0.0014971700000000 ] - [ 0.0007335600000000, 0.0016714600000000, -0.0001446500000000 ] - [ 0.0015029500000000, 0.0001534400000000, -0.0015646300000000 ] - [ 0.0008012500000000, 0.0006454600000000, 0.0013976600000000 ] - [ 0.0060762300000000, 0.0008463600000000, 0.0024113500000000 ] - [ -0.0012285900000000, -0.0033830000000000, -0.0040727100000000 ] - [ -0.0009809400000000, -0.0007592500000000, 0.0022365300000000 ] - [ 0.0028852200000000, 0.0013444700000000, -0.0118809400000000 ] - [ 0.0010432500000000, 0.0015691600000000, 0.0035087800000000 ] - [ -0.0009870900000000, -0.0000334200000000, 0.0020159500000000 ] - [ 0.0015248800000000, 0.0033251500000000, -0.0015332600000000 ] - [ -0.0009188700000000, 0.0003432200000000, 0.0002002100000000 ] - [ -0.0003803700000000, 0.0011989000000000, 0.0016961100000000 ] - [ -0.0015288700000000, -0.0008437800000000, -0.0001290900000000 ] - [ 0.0010860300000000, 0.0018705500000000, -0.0010214500000000 ] - [ -0.0004828500000000, -0.0004690400000000, 0.0016341400000000 ] - [ 0.0002833600000000, -0.0064323400000000, 0.0050523200000000 ] - [ 0.0031745200000000, 0.0006582100000000, -0.0075203000000000 ] - [ 0.0004886000000000, 0.0008229400000000, 0.0025472600000000 ] - [ 0.0022353700000000, -0.0020733200000000, -0.0030091000000000 ] - [ 0.0015666700000000, -0.0009926400000000, 0.0015716100000000 ] - [ 0.0004056800000000, -0.0006652900000000, 0.0017125500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0018395700000000, -0.0006064800000000, -0.0009246500000000 ] - [ 0.0005925100000000, -0.0001105300000000, 0.0002427700000000 ] - [ -0.0007971200000000, 0.0032385400000000, 0.0044144400000000 ] - [ -0.0034746900000000, -0.0006703400000000, 0.0012875500000000 ] - [ -0.0010359400000000, -0.0001564600000000, 0.0001261600000000 ] - [ -0.0024408000000000, 0.0032109600000000, -0.0040778700000000 ] - [ 0.0001585400000000, -0.0007606800000000, 0.0001406300000000 ] - [ 0.0007098000000000, -0.0013060100000000, 0.0012658500000000 ] - [ -0.0000870500000000, -0.0006405900000000, -0.0000767600000000 ] - [ 0.0001318700000000, 0.0008598400000000, 0.0002186400000000 ] - [ 0.0006657400000000, 0.0003235500000000, -0.0008923700000000 ] - [ -0.0001295700000000, 0.0009861300000000, 0.0004432300000000 ] - [ 0.0173397100000000, 0.0067220800000000, -0.0080953800000000 ] - [ 0.0001640800000000, 0.0009484400000000, -0.0005585600000000 ] - [ -0.0005320600000000, 0.0005057900000000, 0.0006744000000000 ] - [ 0.0010704500000000, -0.0020261100000000, 0.0009027100000000 ] - [ 0.0004480600000000, -0.0005251900000000, 0.0004425000000000 ] - [ -0.0005777400000000, -0.0001295100000000, -0.0002032800000000 ] - [ 0.0026996500000000, -0.0020797300000000, -0.0012766800000000 ] - [ 0.0020717400000000, -0.0005692400000000, -0.0008030000000000 ] - [ 0.0010490100000000, -0.0001709900000000, -0.0001615300000000 ] - [ 0.0174862000000000, 0.0051670500000000, 0.0078065100000000 ] - [ 0.0001165900000000, -0.0006792000000000, 0.0001910200000000 ] - [ -0.0005806100000000, -0.0011238800000000, -0.0010431100000000 ] - [ 0.0019329200000000, 0.0030956100000000, 0.0010881400000000 ] - [ -0.0004803200000000, 0.0000537300000000, -0.0002113400000000 ] - [ -0.0000280400000000, 0.0009807100000000, 0.0006534100000000 ] - [ 0.0035774500000000, 0.0031679800000000, -0.0014662900000000 ] - [ 0.0011462600000000, 0.0000944000000000, -0.0001506000000000 ] - [ 0.0015989200000000, 0.0010248700000000, -0.0010210300000000 ] - [ 0.0044635700000000, -0.0012607000000000, -0.0024868200000000 ] - [ 0.0030577600000000, 0.0010786800000000, 0.0036968200000000 ] - [ 0.0000516600000000, 0.0007556500000000, -0.0001922600000000 ] - [ 0.0044909400000000, -0.0028813400000000, 0.0020901000000000 ] - [ 0.0031105800000000, -0.0005492200000000, -0.0040695000000000 ] - [ 0.0000958700000000, -0.0008723300000000, -0.0001739600000000 ] - [ 0.0000423600000000, -0.0008573900000000, -0.0000713900000000 ] - [ -0.0000860400000000, -0.0008451900000000, 0.0001679500000000 ] - [ 0.0004298100000000, -0.0005237000000000, 0.0003048700000000 ] - [ -0.0013774400000000, -0.0046759800000000, 0.0034676000000000 ] - [ 0.0001008600000000, 0.0008788300000000, -0.0006057400000000 ] - [ 0.0004531200000000, 0.0001307200000000, -0.0000390400000000 ] - [ -0.0030363700000000, -0.0045723500000000, -0.0030753900000000 ] - [ -0.0015306400000000, 0.0009302300000000, 0.0009769500000000 ] - [ -0.0011738900000000, 0.0001782600000000, 0.0004087500000000 ] - [ 0.0000784600000000, 0.0007688900000000, 0.0004353600000000 ] - [ -0.0000422700000000, 0.0007824100000000, 0.0002005600000000 ] - [ 0.0004730400000000, 0.0011057500000000, 0.0000626100000000 ] - [ -0.1072082000000000, -0.0000003400000000, -0.0000933900000000 ] - [ -0.0007257500000000, 0.0000002800000000, -0.0000112300000000 ] - [ -0.0007259400000000, 0.0000006900000000, 0.0000134600000000 ] - [ 0.0012373000000000, 0.0000844600000000, -0.0000023200000000 ] - [ 0.0012459800000000, -0.0000849100000000, 0.0000006300000000 ] - [ 0.0004461600000000, 0.0000002100000000, 0.0000014200000000 ] - [ 0.0015086000000000, 0.0005680800000000, -0.0000022000000000 ] - [ 0.0008670600000000, 0.0002024500000000, 0.0000024100000000 ] - [ 0.0005808000000000, 0.0002032900000000, 0.0000000600000000 ] - [ -0.0112133000000000, -0.0043472000000000, 0.0001183200000000 ] - [ -0.0112131300000000, 0.0026691100000000, -0.0001132900000000 ] - [ -0.0004606500000000, -0.0000418400000000, 0.0000008900000000 ] - [ 0.0029953400000000, -0.0012928900000000, -0.0015602300000000 ] - [ 0.0001756800000000, -0.0003258600000000, 0.0002322400000000 ] - [ 0.0003147200000000, -0.0000078800000000, -0.0008423900000000 ] - [ 0.0057039300000000, 0.0002804700000000, 0.0032315700000000 ] - [ -0.0008407100000000, 0.0018147200000000, -0.0032636800000000 ] - [ 0.0000486600000000, 0.0000653200000000, -0.0004076100000000 ] - [ 0.0058193700000000, 0.0001447600000000, -0.0042314900000000 ] - [ -0.0007271900000000, 0.0016995400000000, 0.0022828200000000 ] - [ 0.0001784300000000, -0.0000663400000000, -0.0006019600000000 ] - [ 0.0028725800000000, -0.0014171800000000, 0.0005563800000000 ] - [ 0.0000480300000000, -0.0004556400000000, -0.0012376300000000 ] - [ 0.0001896100000000, -0.0001390400000000, -0.0001652400000000 ] - [ -0.0006517000000000, 0.0029345200000000, -0.0018420100000000 ] - [ -0.0002961600000000, -0.0001229000000000, 0.0002234100000000 ] - [ 0.0003398400000000, -0.0001939500000000, 0.0013139800000000 ] - [ -0.0007927900000000, 0.0030711800000000, 0.0028599000000000 ] - [ -0.0004297700000000, 0.0000040700000000, 0.0007873500000000 ] - [ 0.0002090800000000, -0.0000628000000000, -0.0003038200000000 ] - [ 0.0004720400000000, -0.0076297800000000, -0.0043808700000000 ] - [ -0.0000798000000000, 0.0000598700000000, 0.0003201600000000 ] - [ -0.0000387500000000, 0.0003788600000000, 0.0012606000000000 ] - [ 0.0003548500000000, -0.0078010100000000, 0.0054084000000000 ] - [ -0.0002126900000000, -0.0000713200000000, 0.0006936700000000 ] - [ -0.0001771900000000, 0.0002457000000000, -0.0002434700000000 ] - [ 0.0002973900000000, 0.0003042900000000, 0.0010448900000000 ] - [ 0.0025134400000000, 0.0011156700000000, -0.0035210800000000 ] - [ 0.0011754000000000, 0.0003002900000000, -0.0000322200000000 ] - [ -0.0010926400000000, -0.0010514800000000, -0.0009984500000000 ] - [ 0.0011356900000000, -0.0002522800000000, 0.0035701000000000 ] - [ -0.0001955500000000, -0.0010674800000000, 0.0000918300000000 ] - [ 0.0028963500000000, -0.0010731000000000, -0.0019084600000000 ] - [ 0.0011408200000000, -0.0004373400000000, -0.0000999200000000 ] - [ -0.0002300300000000, -0.0019454900000000, 0.0011602300000000 ] - [ 0.0015089300000000, 0.0002882500000000, 0.0019699200000000 ] - [ -0.0002283300000000, 0.0009298300000000, 0.0001600900000000 ] - [ -0.0015931400000000, -0.0005716700000000, -0.0010993700000000 ] - [ -0.0048213600000000, 0.0035570600000000, -0.0004259700000000 ] - [ -0.0020480500000000, 0.0026397200000000, 0.0009270800000000 ] - [ 0.0001772900000000, 0.0009444100000000, -0.0002321500000000 ] - [ -0.0051218900000000, -0.0047216000000000, -0.0043054800000000 ] - [ -0.0011679500000000, 0.0004763600000000, -0.0001128100000000 ] - [ -0.0020646200000000, 0.0009317600000000, 0.0029722600000000 ] - [ -0.0037935400000000, -0.0060706200000000, 0.0042355600000000 ] - [ 0.0001988900000000, -0.0008954700000000, 0.0000467400000000 ] - [ -0.0006967300000000, -0.0004332300000000, -0.0030308000000000 ] - [ -0.0062000300000000, 0.0022056500000000, 0.0003694700000000 ] - [ -0.0034073500000000, 0.0012677500000000, -0.0009983200000000 ] - [ -0.0011905900000000, -0.0004249100000000, 0.0001675500000000 ] - [ 0.0240794800000000, -0.0068029600000000, -0.0088395500000000 ] - [ 0.0012225300000000, -0.0010278500000000, 0.0006733900000000 ] - [ 0.0029505300000000, 0.0000625200000000, -0.0015570400000000 ] - [ -0.0017271700000000, -0.0008643500000000, 0.0007186700000000 ] - [ -0.0007057100000000, -0.0000462100000000, -0.0008999800000000 ] - [ 0.0001546400000000, 0.0002769200000000, 0.0005441300000000 ] - [ -0.0031410400000000, -0.0022609500000000, -0.0007081700000000 ] - [ -0.0021137900000000, -0.0014456400000000, 0.0008920500000000 ] - [ -0.0012520100000000, -0.0011300500000000, -0.0005455500000000 ] - [ 0.0231767200000000, -0.0061081200000000, 0.0095397600000000 ] - [ -0.0001766800000000, 0.0003712800000000, -0.0006737300000000 ] - [ 0.0015796600000000, 0.0014418900000000, 0.0015379300000000 ] - [ -0.0040367100000000, 0.0014209600000000, -0.0001952000000000 ] - [ -0.0013621200000000, 0.0008943300000000, 0.0004744900000000 ] - [ -0.0018123100000000, 0.0007643000000000, -0.0008797600000000 ] - [ 0.0208475600000000, 0.0098437400000000, -0.0068517500000000 ] - [ 0.0016942900000000, -0.0008177300000000, -0.0016742800000000 ] - [ -0.0000566900000000, -0.0003546400000000, 0.0006198400000000 ] - [ 0.0216841200000000, 0.0105351800000000, 0.0061701300000000 ] - [ 0.0030617400000000, 0.0005548900000000, 0.0016895800000000 ] - [ 0.0013429000000000, 0.0010449300000000, -0.0006248000000000 ] - [ -0.0026199500000000, 0.0000248000000000, 0.0001992000000000 ] - [ 0.0000449000000000, -0.0005125400000000, -0.0004802700000000 ] - [ -0.0003990800000000, -0.0006437000000000, 0.0008823200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013155500000000, -0.0049976700000000, -0.0011653600000000 ] - [ 0.0008694700000000, 0.0005526700000000, 0.0014188200000000 ] - [ 0.0007135300000000, 0.0034354300000000, 0.0031847300000000 ] - [ 0.0013155500000000, 0.0049976700000000, -0.0011653600000000 ] - [ -0.0008694700000000, -0.0005526700000000, 0.0014188200000000 ] - [ -0.0007135300000000, -0.0034354300000000, 0.0031847300000000 ] - [ -0.0012025200000000, -0.0003946900000000, -0.0012130900000000 ] - [ 0.0011407500000000, -0.0013912900000000, 0.0013883300000000 ] - [ 0.0001725600000000, -0.0009098000000000, 0.0009272000000000 ] - [ 0.0012025200000000, 0.0003946900000000, -0.0012130900000000 ] - [ -0.0011407500000000, 0.0013912900000000, 0.0013883300000000 ] - [ -0.0001725600000000, 0.0009098000000000, 0.0009272000000000 ] - [ -0.0033435100000000, -0.0017009800000000, -0.0032709300000000 ] - [ -0.0011154100000000, 0.0006106400000000, 0.0013732000000000 ] - [ 0.0002182500000000, 0.0009214500000000, 0.0008807000000000 ] - [ -0.0009046200000000, -0.0000984300000000, -0.0012985000000000 ] - [ -0.0012922900000000, 0.0008798300000000, -0.0005470700000000 ] - [ -0.0006655300000000, -0.0005685800000000, 0.0009404800000000 ] - [ 0.0009046200000000, 0.0000984300000000, -0.0012985000000000 ] - [ 0.0012922900000000, -0.0008798300000000, -0.0005470700000000 ] - [ 0.0006655300000000, 0.0005685800000000, 0.0009404800000000 ] - [ 0.0033435100000000, 0.0017009800000000, -0.0032709300000000 ] - [ 0.0011154100000000, -0.0006106400000000, 0.0013732000000000 ] - [ -0.0002182500000000, -0.0009214500000000, 0.0008807000000000 ] - [ -0.0012287600000000, -0.0012372200000000, -0.0015769400000000 ] - [ -0.0007209300000000, 0.0001244700000000, 0.0005562000000000 ] - [ -0.0002401900000000, 0.0010910500000000, 0.0010188200000000 ] - [ 0.0012287600000000, 0.0012372200000000, -0.0015769400000000 ] - [ 0.0007209300000000, -0.0001244700000000, 0.0005562000000000 ] - [ 0.0002401900000000, -0.0010910500000000, 0.0010188200000000 ] - [ -0.0050453200000000, 0.0029430600000000, -0.0015206600000000 ] - [ 0.0033796800000000, 0.0009140800000000, 0.0028031000000000 ] - [ 0.0005081700000000, 0.0007597800000000, 0.0010508400000000 ] - [ 0.0050453200000000, -0.0029430600000000, -0.0015206600000000 ] - [ -0.0033796800000000, -0.0009140800000000, 0.0028031000000000 ] - [ -0.0005081700000000, -0.0007597800000000, 0.0010508400000000 ] - [ -0.0001445200000000, -0.0007247800000000, -0.0009322900000000 ] - [ -0.0006167500000000, -0.0009650800000000, 0.0013103200000000 ] - [ 0.0008327300000000, -0.0003412200000000, -0.0001752000000000 ] - [ 0.0033542900000000, -0.0034559400000000, -0.0028607100000000 ] - [ 0.0007051200000000, 0.0001768300000000, 0.0012466100000000 ] - [ 0.0010189900000000, -0.0011561600000000, 0.0017387100000000 ] - [ -0.0033542900000000, 0.0034559400000000, -0.0028607100000000 ] - [ -0.0007051200000000, -0.0001768300000000, 0.0012466100000000 ] - [ -0.0010189900000000, 0.0011561600000000, 0.0017387100000000 ] - [ 0.0001445200000000, 0.0007247800000000, -0.0009322900000000 ] - [ 0.0006167500000000, 0.0009650800000000, 0.0013103200000000 ] - [ -0.0008327300000000, 0.0003412200000000, -0.0001752000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1606902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048457200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0048072900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005286200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012761000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007151800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007187800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0348971100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0356238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026104400000000 ] - [ 0.0033384500000000, 0.0008131600000000, -0.0052605300000000 ] - [ -0.0002150300000000, -0.0006296200000000, 0.0009785400000000 ] - [ -0.0011217400000000, -0.0000182400000000, 0.0010222700000000 ] - [ 0.0058896400000000, 0.0006912400000000, 0.0029017000000000 ] - [ -0.0007568300000000, -0.0001987900000000, -0.0012713100000000 ] - [ 0.0005553400000000, -0.0004583800000000, 0.0011224300000000 ] - [ -0.0058896400000000, -0.0006912400000000, 0.0029017000000000 ] - [ 0.0007568300000000, 0.0001987900000000, -0.0012713100000000 ] - [ -0.0005553400000000, 0.0004583800000000, 0.0011224300000000 ] - [ -0.0033384500000000, -0.0008131600000000, -0.0052605300000000 ] - [ 0.0002150300000000, 0.0006296200000000, 0.0009785400000000 ] - [ 0.0011217400000000, 0.0000182400000000, 0.0010222700000000 ] - [ -0.0006802400000000, 0.0032070800000000, -0.0042451000000000 ] - [ 0.0001452000000000, -0.0012568800000000, 0.0020309600000000 ] - [ 0.0007605400000000, -0.0003491000000000, 0.0019909000000000 ] - [ 0.0006802400000000, -0.0032070800000000, -0.0042451000000000 ] - [ -0.0001452000000000, 0.0012568800000000, 0.0020309600000000 ] - [ -0.0007605400000000, 0.0003491000000000, 0.0019909000000000 ] - [ -0.0005592100000000, 0.0060366200000000, 0.0039260700000000 ] - [ 0.0005873700000000, 0.0006865300000000, 0.0021310100000000 ] - [ 0.0003360000000000, -0.0006147100000000, -0.0002446200000000 ] - [ 0.0005592100000000, -0.0060366200000000, 0.0039260700000000 ] - [ -0.0005873700000000, -0.0006865300000000, 0.0021310100000000 ] - [ -0.0003360000000000, 0.0006147100000000, -0.0002446200000000 ] - [ 0.0017368800000000, 0.0000742600000000, 0.0009554900000000 ] - [ 0.0008917800000000, 0.0015678800000000, -0.0023523100000000 ] - [ 0.0011500400000000, 0.0004560900000000, -0.0020367900000000 ] - [ -0.0017368800000000, -0.0000742600000000, 0.0009554900000000 ] - [ -0.0008917800000000, -0.0015678800000000, -0.0023523100000000 ] - [ -0.0011500400000000, -0.0004560900000000, -0.0020367900000000 ] - [ -0.0013748900000000, -0.0022260200000000, 0.0055168200000000 ] - [ 0.0007392700000000, -0.0007576600000000, -0.0020333100000000 ] - [ 0.0022422100000000, 0.0008129600000000, -0.0016437800000000 ] - [ 0.0013748900000000, 0.0022260200000000, 0.0055168200000000 ] - [ -0.0007392700000000, 0.0007576600000000, -0.0020333100000000 ] - [ -0.0022422100000000, -0.0008129600000000, -0.0016437800000000 ] - [ -0.0008707100000000, 0.0027466400000000, 0.0054517700000000 ] - [ 0.0021852400000000, -0.0008706600000000, -0.0016985000000000 ] - [ 0.0006099700000000, 0.0006267800000000, -0.0020942800000000 ] - [ -0.0012808000000000, -0.0003467400000000, 0.0009178100000000 ] - [ -0.0009147200000000, 0.0002153300000000, -0.0020967200000000 ] - [ 0.0002027600000000, 0.0004733500000000, -0.0024188300000000 ] - [ 0.0012808000000000, 0.0003467400000000, 0.0009178100000000 ] - [ 0.0009147200000000, -0.0002153300000000, -0.0020967200000000 ] - [ -0.0002027600000000, -0.0004733500000000, -0.0024188300000000 ] - [ 0.0008707100000000, -0.0027466400000000, 0.0054517700000000 ] - [ -0.0021852400000000, 0.0008706600000000, -0.0016985000000000 ] - [ -0.0006099700000000, -0.0006267800000000, -0.0020942800000000 ] - [ -0.0091433600000000, 0.0054796000000000, 0.0244096500000000 ] - [ 0.0013447600000000, -0.0011436700000000, -0.0034067000000000 ] - [ -0.0044161100000000, 0.0041991200000000, -0.0047960900000000 ] - [ 0.0015973200000000, 0.0013970500000000, 0.0026345900000000 ] - [ 0.0004332800000000, 0.0004986200000000, -0.0002867800000000 ] - [ 0.0007713200000000, 0.0010687800000000, -0.0022254400000000 ] - [ -0.0015973200000000, -0.0013970500000000, 0.0026345900000000 ] - [ -0.0004332800000000, -0.0004986200000000, -0.0002867800000000 ] - [ -0.0007713200000000, -0.0010687800000000, -0.0022254400000000 ] - [ 0.0091433600000000, -0.0054796000000000, 0.0244096500000000 ] - [ -0.0013447600000000, 0.0011436700000000, -0.0034067000000000 ] - [ 0.0044161100000000, -0.0041991200000000, -0.0047960900000000 ] - [ -0.0000059700000000, -0.0001908200000000, 0.0026438300000000 ] - [ -0.0003364800000000, 0.0006356800000000, -0.0022226800000000 ] - [ -0.0009124000000000, 0.0009722700000000, -0.0002970000000000 ] - [ -0.0061728200000000, -0.0097767800000000, 0.0239095600000000 ] - [ -0.0056501000000000, -0.0058670300000000, -0.0048047100000000 ] - [ -0.0002715200000000, -0.0000714000000000, -0.0034038000000000 ] - [ 0.0061728200000000, 0.0097767800000000, 0.0239095600000000 ] - [ 0.0056501000000000, 0.0058670300000000, -0.0048047100000000 ] - [ 0.0002715200000000, 0.0000714000000000, -0.0034038000000000 ] - [ 0.0000059700000000, 0.0001908200000000, 0.0026438300000000 ] - [ 0.0003364800000000, -0.0006356800000000, -0.0022226800000000 ] - [ 0.0009124000000000, -0.0009722700000000, -0.0002970000000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0035034000000000, 0.0027738200000000, 0.0004847400000000 ] - [ 0.0009155800000000, -0.0000680800000000, -0.0002105800000000 ] - [ 0.0013407900000000, 0.0002007800000000, 0.0009550100000000 ] - [ -0.0009082000000000, -0.0006400700000000, 0.0004314300000000 ] - [ -0.0007526000000000, 0.0001958400000000, -0.0001733900000000 ] - [ -0.0008349200000000, 0.0000319100000000, 0.0003349700000000 ] - [ -0.0027315200000000, 0.0036205300000000, 0.0016161200000000 ] - [ -0.0012690200000000, -0.0001330800000000, -0.0009284700000000 ] - [ -0.0005668000000000, -0.0007925300000000, -0.0003356300000000 ] - [ 0.0007556000000000, 0.0005915100000000, 0.0002934700000000 ] - [ 0.0003191900000000, 0.0007182400000000, -0.0000047400000000 ] - [ 0.0003086200000000, 0.0007604700000000, -0.0001347600000000 ] - [ 0.0027612700000000, 0.0020649900000000, -0.0007427700000000 ] - [ 0.0004161200000000, 0.0008724700000000, -0.0005088600000000 ] - [ 0.0013140700000000, 0.0010339700000000, -0.0010882600000000 ] - [ -0.0008627200000000, 0.0010498900000000, -0.0006052100000000 ] - [ -0.0009018500000000, -0.0000922600000000, -0.0000424300000000 ] - [ -0.0008590300000000, 0.0002227300000000, -0.0005421300000000 ] - [ 0.0034611200000000, -0.0108617700000000, -0.0114055300000000 ] - [ -0.0003659200000000, 0.0008439900000000, 0.0011374100000000 ] - [ 0.0008160400000000, -0.0002813300000000, -0.0007414400000000 ] - [ -0.0038790800000000, -0.0069955100000000, -0.0004049600000000 ] - [ -0.0005365400000000, -0.0009567100000000, -0.0009172000000000 ] - [ -0.0005878600000000, -0.0008683200000000, -0.0004362200000000 ] - [ 0.0144771900000000, -0.0002443200000000, 0.0045165400000000 ] - [ -0.0009661700000000, -0.0000630400000000, -0.0003165800000000 ] - [ -0.0002025600000000, -0.0004353300000000, -0.0017831900000000 ] - [ -0.0003066300000000, -0.0008797200000000, 0.0006170000000000 ] - [ 0.0007232700000000, 0.0000148200000000, -0.0003658900000000 ] - [ 0.0007076800000000, 0.0004588200000000, -0.0006241400000000 ] - [ -0.0198421300000000, -0.0049023300000000, 0.0058150700000000 ] - [ -0.0026686300000000, 0.0004115300000000, -0.0037919300000000 ] - [ -0.0004913700000000, 0.0009643100000000, -0.0008064700000000 ] - [ 0.0014342100000000, -0.0008075500000000, -0.0006662300000000 ] - [ 0.0008528400000000, -0.0006818900000000, -0.0001234300000000 ] - [ 0.0002697400000000, -0.0008080400000000, -0.0005909300000000 ] - [ 0.0014951400000000, -0.0007199700000000, 0.0001074800000000 ] - [ 0.0002912200000000, -0.0007656600000000, -0.0001993300000000 ] - [ 0.0008049200000000, -0.0008700900000000, -0.0002266100000000 ] - [ 0.0011508500000000, -0.0004693900000000, 0.0007258700000000 ] - [ 0.0010791200000000, -0.0003464400000000, -0.0000246200000000 ] - [ 0.0008567800000000, 0.0001211900000000, -0.0000259100000000 ] - [ 0.0105370500000000, 0.0062250400000000, 0.0080387200000000 ] - [ -0.0003112200000000, -0.0006676000000000, -0.0008380800000000 ] - [ -0.0008045200000000, -0.0002242300000000, -0.0000519500000000 ] - [ -0.0009583500000000, 0.0005294600000000, 0.0001967900000000 ] - [ -0.0002363500000000, 0.0007971000000000, -0.0002769900000000 ] - [ -0.0004960400000000, 0.0009215900000000, 0.0005240700000000 ] - [ 0.0029212500000000, -0.0029811000000000, 0.0032498000000000 ] - [ 0.0002531700000000, 0.0000605600000000, -0.0011826200000000 ] - [ 0.0001136400000000, 0.0001274500000000, -0.0002805500000000 ] - [ -0.0001109300000000, -0.0017507700000000, -0.0002656900000000 ] - [ 0.0003961400000000, -0.0002026300000000, 0.0006104700000000 ] - [ -0.0001449600000000, 0.0000003100000000, -0.0005202700000000 ] - [ -0.0007275400000000, -0.0013512100000000, 0.0007456100000000 ] - [ -0.0003622200000000, -0.0000745800000000, -0.0000821300000000 ] - [ 0.0002748000000000, -0.0003890100000000, -0.0006922800000000 ] - [ -0.0007780200000000, 0.0003142100000000, 0.0006800300000000 ] - [ 0.0057235800000000, -0.0076584400000000, -0.0059246600000000 ] - [ 0.0001141400000000, -0.0000054900000000, -0.0006174700000000 ] - [ -0.1134715800000000, -0.0129780900000000, 0.0763148500000000 ] - [ -0.0000988700000000, 0.0004849700000000, -0.0011947200000000 ] - [ -0.0001007100000000, 0.0004853200000000, -0.0015122800000000 ] - [ 0.0016739300000000, 0.0003002800000000, -0.0008238300000000 ] - [ 0.0016828200000000, -0.0005067700000000, 0.0025123800000000 ] - [ -0.0001616000000000, 0.0002517600000000, -0.0010245800000000 ] - [ -0.0005602000000000, 0.0005025900000000, -0.0004702100000000 ] - [ -0.0005558000000000, -0.0003027200000000, -0.0007810500000000 ] - [ 0.0001559900000000, -0.0002523900000000, -0.0010204700000000 ] - [ 0.0013434500000000, 0.0012269400000000, 0.0011052900000000 ] - [ -0.0000955700000000, -0.0001130700000000, -0.0006497500000000 ] - [ -0.0000954400000000, -0.0001134300000000, -0.0008988200000000 ] - [ 0.0027086700000000, -0.0003330400000000, 0.0012439600000000 ] - [ 0.0003762600000000, 0.0002082100000000, 0.0002383200000000 ] - [ 0.0003645500000000, -0.0001255900000000, 0.0004900000000000 ] - [ -0.0002726100000000, 0.0003315300000000, 0.0011191600000000 ] - [ -0.0000047800000000, -0.0002097500000000, 0.0000062400000000 ] - [ -0.0001422200000000, 0.0001251500000000, 0.0004724900000000 ] - [ 0.0005007000000000, 0.0000041400000000, 0.0007639800000000 ] - [ 0.0000156800000000, -0.0000861900000000, 0.0001367200000000 ] - [ 0.0004931400000000, 0.0003232500000000, 0.0008892300000000 ] - [ 0.0013993500000000, 0.0047330200000000, -0.0053048800000000 ] - [ 0.0000581100000000, 0.0001585700000000, -0.0000935900000000 ] - [ -0.0022081600000000, -0.0013138200000000, 0.0028812800000000 ] - [ 0.0028257600000000, -0.0043106400000000, -0.0059583400000000 ] - [ 0.0003698400000000, -0.0001290500000000, 0.0027520700000000 ] - [ 0.0007158900000000, 0.0005491400000000, 0.0006029000000000 ] - [ -0.0016064300000000, -0.0007570500000000, -0.0003401200000000 ] - [ -0.0011662600000000, -0.0005129800000000, 0.0000117800000000 ] - [ -0.0007893200000000, -0.0006037000000000, 0.0004919200000000 ] - [ 0.0009094600000000, -0.0008415300000000, -0.0000830900000000 ] - [ 0.0005830800000000, -0.0008053900000000, 0.0007868900000000 ] - [ 0.0007701500000000, -0.0009367400000000, -0.0000689400000000 ] - [ -0.0035913300000000, -0.0008752700000000, -0.0011836200000000 ] - [ -0.0009414800000000, 0.0005262800000000, 0.0006448000000000 ] - [ -0.0015351900000000, 0.0002910200000000, -0.0001139700000000 ] - [ -0.0007151600000000, -0.0012093900000000, 0.0000919800000000 ] - [ 0.0008134400000000, 0.0006046100000000, -0.0000699600000000 ] - [ 0.0006948900000000, 0.0005569600000000, 0.0006822600000000 ] - [ 0.0035290400000000, 0.0015531700000000, 0.0005172200000000 ] - [ -0.0003806100000000, 0.0009284400000000, 0.0006801000000000 ] - [ 0.0000400800000000, -0.0000762900000000, 0.0009669900000000 ] - [ -0.0037505700000000, -0.0066799800000000, -0.0052385700000000 ] - [ 0.0007450600000000, -0.0008103500000000, 0.0005296700000000 ] - [ -0.0016650500000000, -0.0015530600000000, 0.0020608900000000 ] - [ 0.0764670600000000, 0.0449620800000000, -0.0709551200000000 ] - [ 0.0019005400000000, -0.0024847100000000, 0.0010116900000000 ] - [ -0.0005983800000000, -0.0009958800000000, 0.0011738200000000 ] - [ -0.0027549200000000, 0.0008641900000000, -0.0016733100000000 ] - [ 0.0002373800000000, -0.0005538200000000, 0.0008262100000000 ] - [ 0.0000780700000000, -0.0012445800000000, 0.0002054000000000 ] - [ 0.0027247500000000, 0.0005240000000000, -0.0013122400000000 ] - [ 0.0014673300000000, 0.0006835000000000, -0.0000495000000000 ] - [ 0.0011386500000000, 0.0008076000000000, 0.0008698400000000 ] - [ -0.0050216400000000, 0.0032721400000000, 0.0000284100000000 ] - [ -0.0005793900000000, 0.0000832400000000, -0.0008386700000000 ] - [ -0.0010966600000000, -0.0003611300000000, 0.0011947600000000 ] - [ 0.0145361900000000, 0.0031107100000000, -0.0041009500000000 ] - [ -0.0005543100000000, 0.0008463200000000, 0.0015395900000000 ] - [ 0.0001964800000000, 0.0014923500000000, 0.0008471900000000 ] - [ -0.0009024700000000, 0.0007694800000000, -0.0010031300000000 ] - [ -0.0007619500000000, 0.0006637600000000, 0.0005479800000000 ] - [ -0.0014811000000000, 0.0009061400000000, 0.0005904000000000 ] - [ 0.0005312700000000, -0.0010187600000000, -0.0030926500000000 ] - [ 0.0003978900000000, 0.0011309800000000, 0.0019249700000000 ] - [ -0.0005969300000000, -0.0009611700000000, 0.0007639800000000 ] - [ -0.0034131000000000, 0.0017238300000000, -0.0019643900000000 ] - [ -0.0024627900000000, -0.0006287700000000, 0.0012507900000000 ] - [ 0.0002964800000000, 0.0008696800000000, 0.0009629600000000 ] - [ 0.0106161000000000, -0.0106800600000000, 0.0028076800000000 ] - [ 0.0013223900000000, -0.0007289400000000, 0.0011079400000000 ] - [ 0.0035278300000000, 0.0022997300000000, 0.0035936600000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019027800000000, -0.0027666900000000, -0.0001232900000000 ] - [ 0.0007134100000000, 0.0001146900000000, 0.0005831400000000 ] - [ 0.0002861600000000, -0.0001596900000000, -0.0005970000000000 ] - [ -0.0007140100000000, 0.0006046100000000, -0.0000702300000000 ] - [ -0.0008754100000000, -0.0002424400000000, 0.0005443900000000 ] - [ -0.0007913300000000, -0.0000768500000000, 0.0000309000000000 ] - [ 0.0028571400000000, -0.0052115300000000, -0.0012176800000000 ] - [ 0.0013312700000000, -0.0015043900000000, 0.0013079900000000 ] - [ 0.0006150300000000, -0.0008352400000000, 0.0007073400000000 ] - [ -0.0008051700000000, 0.0010357200000000, 0.0000709900000000 ] - [ -0.0003679900000000, 0.0009101800000000, 0.0003743300000000 ] - [ -0.0003554200000000, 0.0008680800000000, 0.0005043800000000 ] - [ -0.0027178800000000, -0.0004271800000000, 0.0003692700000000 ] - [ -0.0003764900000000, 0.0007557700000000, 0.0001486900000000 ] - [ -0.0012759000000000, 0.0005926000000000, 0.0007260500000000 ] - [ -0.0007691900000000, -0.0010105100000000, 0.0002404300000000 ] - [ -0.0007292000000000, 0.0001432800000000, -0.0003293000000000 ] - [ -0.0007684000000000, -0.0001801600000000, 0.0001782700000000 ] - [ -0.0018746400000000, 0.0108873700000000, 0.0110003800000000 ] - [ 0.0019966000000000, -0.0008985400000000, -0.0015297000000000 ] - [ 0.0008123900000000, 0.0002401900000000, 0.0003800900000000 ] - [ 0.0038810700000000, 0.0053393600000000, 0.0000225800000000 ] - [ 0.0004987800000000, -0.0006699700000000, 0.0005575700000000 ] - [ 0.0005439500000000, -0.0007657000000000, 0.0000829800000000 ] - [ -0.0158307100000000, 0.0001186600000000, -0.0048289000000000 ] - [ -0.0006618400000000, 0.0000183600000000, -0.0000483800000000 ] - [ -0.0014302900000000, 0.0003896200000000, 0.0014265500000000 ] - [ 0.0019389700000000, 0.0009279300000000, -0.0009883100000000 ] - [ 0.0009053900000000, 0.0000293400000000, 0.0000005700000000 ] - [ 0.0009193700000000, -0.0004196200000000, 0.0002615900000000 ] - [ 0.0197218500000000, 0.0064902700000000, -0.0062165700000000 ] - [ 0.0026603100000000, 0.0012221600000000, 0.0034557700000000 ] - [ 0.0004515600000000, 0.0006633400000000, 0.0004455300000000 ] - [ -0.0014017000000000, -0.0008192100000000, 0.0003004000000000 ] - [ -0.0008176300000000, -0.0009427400000000, -0.0002399900000000 ] - [ -0.0002280500000000, -0.0008198000000000, 0.0002281700000000 ] - [ -0.0015519800000000, -0.0009200700000000, 0.0002644600000000 ] - [ -0.0003405300000000, -0.0008643700000000, 0.0005723900000000 ] - [ -0.0008530000000000, -0.0007578300000000, 0.0005936700000000 ] - [ 0.0004779500000000, 0.0004292300000000, -0.0003654000000000 ] - [ 0.0005482800000000, 0.0003041900000000, 0.0003942800000000 ] - [ 0.0007725200000000, -0.0001674300000000, 0.0003950300000000 ] - [ -0.0123847400000000, -0.0063174200000000, -0.0078350100000000 ] - [ -0.0013185300000000, 0.0007180700000000, 0.0012150000000000 ] - [ -0.0008226000000000, 0.0002710100000000, 0.0004226300000000 ] - [ 0.0010145800000000, 0.0011007300000000, 0.0001664900000000 ] - [ 0.0002839400000000, 0.0008314300000000, 0.0006491600000000 ] - [ 0.0005463000000000, 0.0007079100000000, -0.0001548100000000 ] - [ -0.0029472200000000, 0.0030253700000000, -0.0032967800000000 ] - [ -0.0002509300000000, -0.0000579000000000, 0.0011959500000000 ] - [ -0.0001101300000000, -0.0001285400000000, 0.0002837900000000 ] - [ 0.0001047900000000, 0.0017633800000000, 0.0002690500000000 ] - [ -0.0004307500000000, 0.0002223700000000, -0.0006397500000000 ] - [ 0.0001471600000000, -0.0000003300000000, 0.0005257400000000 ] - [ 0.0007170400000000, 0.0013588000000000, -0.0007476800000000 ] - [ 0.0003634800000000, 0.0000726100000000, 0.0000811300000000 ] - [ -0.0002749900000000, 0.0003928100000000, 0.0006980900000000 ] - [ 0.0007892500000000, -0.0003108100000000, -0.0006915100000000 ] - [ -0.0058009200000000, 0.0077727000000000, 0.0060026900000000 ] - [ -0.0001135000000000, 0.0000059600000000, 0.0006244300000000 ] - [ 0.1148299200000000, 0.0121800100000000, -0.0764443400000000 ] - [ 0.0002324000000000, -0.0003573900000000, 0.0001892400000000 ] - [ 0.0002306300000000, -0.0003570900000000, 0.0005135500000000 ] - [ -0.0018246300000000, -0.0001745200000000, -0.0001891400000000 ] - [ -0.0018159400000000, 0.0006403800000000, -0.0035093300000000 ] - [ 0.0000315700000000, -0.0001233100000000, 0.0000192900000000 ] - [ 0.0006878300000000, -0.0006449500000000, -0.0005417700000000 ] - [ 0.0006922700000000, 0.0001718000000000, -0.0002366800000000 ] - [ -0.0000262300000000, 0.0001223900000000, 0.0000152700000000 ] - [ -0.0014858800000000, -0.0013611200000000, -0.0021264900000000 ] - [ -0.0000349400000000, -0.0000155300000000, -0.0003571600000000 ] - [ -0.0000347400000000, -0.0000157200000000, -0.0001079400000000 ] - [ -0.0025930700000000, 0.0002004100000000, -0.0002464200000000 ] - [ -0.0002477200000000, -0.0003442100000000, 0.0007780900000000 ] - [ -0.0002358500000000, -0.0000058400000000, 0.0005208300000000 ] - [ 0.0001496600000000, -0.0002022100000000, -0.0001179100000000 ] - [ -0.0001239600000000, 0.0003424100000000, 0.0010065300000000 ] - [ 0.0000117100000000, 0.0000051300000000, 0.0005413100000000 ] - [ -0.0003743900000000, 0.0001266900000000, 0.0002431200000000 ] - [ 0.0001158700000000, 0.0002183000000000, 0.0008779500000000 ] - [ -0.0003650600000000, -0.0001950400000000, 0.0001166800000000 ] - [ -0.0015380300000000, -0.0049277400000000, 0.0063794300000000 ] - [ -0.0001899400000000, -0.0002917900000000, 0.0011115300000000 ] - [ 0.0020989500000000, 0.0011962300000000, -0.0018811900000000 ] - [ -0.0015552700000000, 0.0057289200000000, 0.0060412400000000 ] - [ 0.0009891300000000, 0.0014976900000000, -0.0027048100000000 ] - [ 0.0006530000000000, 0.0008206100000000, -0.0005485400000000 ] - [ 0.0002422600000000, -0.0006089300000000, 0.0004072200000000 ] - [ -0.0001983800000000, -0.0008551500000000, 0.0000492800000000 ] - [ -0.0005788300000000, -0.0007651000000000, -0.0004353600000000 ] - [ 0.0004479600000000, -0.0005285700000000, 0.0001561200000000 ] - [ 0.0007860600000000, -0.0005609400000000, -0.0007319200000000 ] - [ 0.0005952300000000, -0.0004319400000000, 0.0001287900000000 ] - [ 0.0022404300000000, 0.0022699800000000, 0.0012593800000000 ] - [ -0.0004240200000000, 0.0008436100000000, -0.0005923100000000 ] - [ 0.0001704200000000, 0.0010808600000000, 0.0001770000000000 ] - [ 0.0020923000000000, 0.0025769800000000, -0.0001513600000000 ] - [ 0.0005607900000000, 0.0007569500000000, 0.0000057300000000 ] - [ 0.0006754400000000, 0.0008116800000000, -0.0007503600000000 ] - [ -0.0048907200000000, -0.0001678100000000, -0.0005601200000000 ] - [ -0.0009904300000000, 0.0004379800000000, -0.0007485200000000 ] - [ -0.0013929800000000, 0.0014588700000000, -0.0010370800000000 ] - [ 0.0051508700000000, 0.0052766800000000, 0.0051753600000000 ] - [ 0.0006258800000000, -0.0005563900000000, -0.0005988400000000 ] - [ 0.0030495300000000, 0.0001988500000000, -0.0021357100000000 ] - [ -0.0777706900000000, -0.0455311900000000, 0.0692183200000000 ] - [ -0.0032927600000000, 0.0011371900000000, -0.0010722400000000 ] - [ -0.0007679000000000, -0.0003709800000000, -0.0012481500000000 ] - [ 0.0041856300000000, -0.0022977400000000, 0.0016855900000000 ] - [ 0.0011722400000000, -0.0008542900000000, -0.0008356000000000 ] - [ 0.0013297400000000, -0.0001580300000000, -0.0002063500000000 ] - [ -0.0013213100000000, 0.0008735700000000, 0.0013172100000000 ] - [ -0.0000698500000000, 0.0007232700000000, 0.0000586100000000 ] - [ 0.0002654400000000, 0.0005988700000000, -0.0008791700000000 ] - [ 0.0036628600000000, -0.0046925000000000, 0.0000011800000000 ] - [ -0.0008121700000000, -0.0014808100000000, 0.0008385300000000 ] - [ -0.0003051400000000, -0.0010474800000000, -0.0012051600000000 ] - [ -0.0170565100000000, -0.0013640500000000, 0.0048303600000000 ] - [ -0.0008549000000000, 0.0005574600000000, -0.0015549900000000 ] - [ -0.0016349400000000, -0.0000993500000000, -0.0008734500000000 ] - [ -0.0004891500000000, 0.0006356100000000, 0.0010096400000000 ] - [ -0.0006413400000000, 0.0007426100000000, -0.0005528100000000 ] - [ 0.0000837000000000, 0.0004985700000000, -0.0005958200000000 ] - [ -0.0019771000000000, -0.0003820800000000, 0.0031233400000000 ] - [ -0.0018213800000000, -0.0025582800000000, -0.0019398900000000 ] - [ -0.0008127800000000, -0.0004431600000000, -0.0007746700000000 ] - [ 0.0048438300000000, -0.0003263100000000, 0.0019973400000000 ] - [ 0.0038892900000000, 0.0020395600000000, -0.0012748100000000 ] - [ 0.0011113400000000, 0.0005341300000000, -0.0009722800000000 ] - [ -0.0093040900000000, 0.0091459200000000, -0.0026853700000000 ] - [ 0.0000781300000000, -0.0006770300000000, -0.0011184700000000 ] - [ -0.0021339900000000, -0.0037287800000000, -0.0036325300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0011755200000000, -0.0023645300000000, -0.0008663700000000 ] - [ 0.0008123700000000, 0.0004662000000000, 0.0013121700000000 ] - [ 0.0011155700000000, 0.0005902200000000, 0.0000515100000000 ] - [ -0.0010984200000000, 0.0002533300000000, -0.0004783300000000 ] - [ -0.0009626700000000, -0.0006314300000000, 0.0011748900000000 ] - [ -0.0005303700000000, -0.0004159900000000, 0.0002112600000000 ] - [ 0.0004089600000000, 0.0022668000000000, -0.0037495100000000 ] - [ 0.0015362900000000, -0.0019092400000000, 0.0019723400000000 ] - [ 0.0010508200000000, -0.0008090200000000, 0.0015604700000000 ] - [ 0.0000901200000000, 0.0009218700000000, -0.0008763600000000 ] - [ 0.0000553300000000, 0.0006345400000000, 0.0005984900000000 ] - [ -0.0005387200000000, 0.0009336700000000, 0.0008980100000000 ] - [ 0.0013507400000000, 0.0013067800000000, -0.0020371200000000 ] - [ -0.0003421300000000, 0.0008363900000000, 0.0006234100000000 ] - [ -0.0016467100000000, 0.0004936200000000, 0.0011256000000000 ] - [ -0.0010902800000000, -0.0007878200000000, -0.0004241000000000 ] - [ -0.0005671400000000, -0.0002043100000000, -0.0001478800000000 ] - [ -0.0007713400000000, -0.0004551000000000, 0.0007936400000000 ] - [ -0.0121085300000000, 0.0153322400000000, 0.0172847500000000 ] - [ 0.0029974800000000, 0.0001907100000000, 0.0051995200000000 ] - [ 0.0005374000000000, 0.0009334100000000, 0.0014907200000000 ] - [ -0.0004921900000000, 0.0033481700000000, -0.0046272200000000 ] - [ 0.0006721800000000, -0.0002614600000000, 0.0013191200000000 ] - [ 0.0001999800000000, -0.0020371200000000, 0.0024146800000000 ] - [ 0.0033481700000000, -0.0004921900000000, -0.0046272200000000 ] - [ -0.0002614600000000, 0.0006721800000000, 0.0013191200000000 ] - [ -0.0020371200000000, 0.0001999800000000, 0.0024146800000000 ] - [ 0.0013067800000000, 0.0013507400000000, -0.0020371200000000 ] - [ 0.0008363900000000, -0.0003421300000000, 0.0006234100000000 ] - [ 0.0004936200000000, -0.0016467100000000, 0.0011256000000000 ] - [ 0.0153322400000000, -0.0121085300000000, 0.0172847500000000 ] - [ 0.0001907100000000, 0.0029974800000000, 0.0051995200000000 ] - [ 0.0009334100000000, 0.0005374000000000, 0.0014907200000000 ] - [ -0.0007878200000000, -0.0010902800000000, -0.0004241000000000 ] - [ -0.0002043100000000, -0.0005671400000000, -0.0001478800000000 ] - [ -0.0004551000000000, -0.0007713400000000, 0.0007936400000000 ] - [ 0.0002533300000000, -0.0010984200000000, -0.0004783300000000 ] - [ -0.0006314300000000, -0.0009626700000000, 0.0011748900000000 ] - [ -0.0004159900000000, -0.0005303700000000, 0.0002112600000000 ] - [ 0.0009218700000000, 0.0000901200000000, -0.0008763600000000 ] - [ 0.0006345400000000, 0.0000553300000000, 0.0005984900000000 ] - [ 0.0009336700000000, -0.0005387200000000, 0.0008980100000000 ] - [ 0.0022668000000000, 0.0004089600000000, -0.0037495100000000 ] - [ -0.0019092400000000, 0.0015362900000000, 0.0019723400000000 ] - [ -0.0008090200000000, 0.0010508200000000, 0.0015604700000000 ] - [ -0.0023645300000000, -0.0011755200000000, -0.0008663700000000 ] - [ 0.0004662000000000, 0.0008123700000000, 0.0013121700000000 ] - [ 0.0005902200000000, 0.0011155700000000, 0.0000515100000000 ] - [ -0.0010599400000000, 0.0023545500000000, -0.0047577300000000 ] - [ -0.0003392900000000, 0.0002831100000000, 0.0015246400000000 ] - [ 0.0007342900000000, -0.0008066800000000, 0.0014834700000000 ] - [ -0.0007543700000000, 0.0027648600000000, -0.0007544500000000 ] - [ 0.0048899700000000, -0.0037295400000000, 0.0034133400000000 ] - [ 0.0001870300000000, -0.0000981500000000, 0.0016253600000000 ] - [ 0.0023545500000000, -0.0010599400000000, -0.0047577300000000 ] - [ 0.0002831100000000, -0.0003392900000000, 0.0015246400000000 ] - [ -0.0008066800000000, 0.0007342900000000, 0.0014834700000000 ] - [ 0.0027648600000000, -0.0007543700000000, -0.0007544500000000 ] - [ -0.0037295400000000, 0.0048899700000000, 0.0034133400000000 ] - [ -0.0000981500000000, 0.0001870300000000, 0.0016253600000000 ] - [ 0.0743467200000000, 0.0743467200000000, -0.1830281800000000 ] - [ -0.0009480000000000, -0.0009480000000000, 0.0025474500000000 ] - [ -0.0006262800000000, -0.0006262800000000, 0.0025445000000000 ] - [ -0.0030690600000000, -0.0002056600000000, -0.0009685300000000 ] - [ 0.0002485000000000, 0.0001026100000000, -0.0009820800000000 ] - [ 0.0004563300000000, -0.0004517600000000, 0.0011321000000000 ] - [ -0.0002056600000000, -0.0030690600000000, -0.0009685300000000 ] - [ 0.0001026100000000, 0.0002485000000000, -0.0009820800000000 ] - [ -0.0004517600000000, 0.0004563300000000, 0.0011321000000000 ] - [ -0.0016828700000000, -0.0016828700000000, -0.0033250200000000 ] - [ 0.0003290400000000, 0.0003290400000000, 0.0003676400000000 ] - [ 0.0000814500000000, 0.0000814500000000, 0.0003706100000000 ] - [ -0.0006776800000000, 0.0005551600000000, -0.0019247000000000 ] - [ 0.0003344000000000, -0.0005650300000000, 0.0016669200000000 ] - [ 0.0000821300000000, -0.0001008300000000, 0.0012149300000000 ] - [ 0.0005551600000000, -0.0006776800000000, -0.0019247000000000 ] - [ -0.0005650300000000, 0.0003344000000000, 0.0016669200000000 ] - [ -0.0001008300000000, 0.0000821300000000, 0.0012149300000000 ] - [ -0.0001958200000000, -0.0001958200000000, -0.0000258700000000 ] - [ 0.0004358600000000, 0.0004358600000000, 0.0016210300000000 ] - [ -0.0003201800000000, -0.0003201800000000, -0.0001926400000000 ] - [ -0.0059343400000000, -0.0059343400000000, 0.0091992700000000 ] - [ -0.0006682900000000, -0.0006682900000000, 0.0023534400000000 ] - [ 0.0023076600000000, 0.0023076600000000, -0.0005945300000000 ] - [ -0.0011688700000000, -0.0011688700000000, 0.0037747200000000 ] - [ 0.0014221300000000, 0.0014221300000000, -0.0041643500000000 ] - [ 0.0007421000000000, 0.0007421000000000, -0.0020442100000000 ] - [ -0.0003280500000000, -0.0003280500000000, 0.0011128700000000 ] - [ -0.0005018600000000, -0.0005018600000000, 0.0001522600000000 ] - [ -0.0007442400000000, -0.0007442400000000, -0.0013979500000000 ] - [ 0.0017326200000000, 0.0002279900000000, 0.0032694200000000 ] - [ 0.0009509700000000, -0.0004329000000000, -0.0017573200000000 ] - [ 0.0002158000000000, -0.0006515400000000, -0.0006500900000000 ] - [ 0.0002279900000000, 0.0017326200000000, 0.0032694200000000 ] - [ -0.0004329000000000, 0.0009509700000000, -0.0017573200000000 ] - [ -0.0006515400000000, 0.0002158000000000, -0.0006500900000000 ] - [ 0.0022460600000000, 0.0022460600000000, 0.0017905000000000 ] - [ 0.0002883500000000, 0.0002883500000000, -0.0008198800000000 ] - [ 0.0008168700000000, 0.0008168700000000, -0.0017022600000000 ] - [ -0.0018014100000000, -0.0025874800000000, 0.0015955000000000 ] - [ -0.0009786900000000, 0.0001555000000000, -0.0021793200000000 ] - [ 0.0012063300000000, 0.0045948200000000, -0.0026989800000000 ] - [ -0.0025874800000000, -0.0018014100000000, 0.0015955000000000 ] - [ 0.0001555000000000, -0.0009786900000000, -0.0021793200000000 ] - [ 0.0045948200000000, 0.0012063300000000, -0.0026989800000000 ] - [ -0.0687799000000000, -0.0687799000000000, 0.1335483800000000 ] - [ -0.0016695900000000, -0.0016695900000000, -0.0065986300000000 ] - [ -0.0002749200000000, -0.0002749200000000, -0.0034838900000000 ] - [ 0.0024723600000000, -0.0024093600000000, 0.0025997700000000 ] - [ 0.0010226500000000, -0.0008590600000000, -0.0019350000000000 ] - [ 0.0004058700000000, 0.0006478900000000, -0.0005543600000000 ] - [ 0.0006888600000000, 0.0009310700000000, 0.0040065200000000 ] - [ 0.0009812800000000, 0.0023762800000000, -0.0013851600000000 ] - [ 0.0003101600000000, 0.0007710800000000, -0.0025424600000000 ] - [ 0.0048695100000000, -0.0052390800000000, 0.0063321100000000 ] - [ -0.0029686100000000, -0.0005112300000000, -0.0016939700000000 ] - [ -0.0000552300000000, -0.0012433500000000, -0.0027452500000000 ] - [ -0.0005283200000000, -0.0042115000000000, 0.0075540500000000 ] - [ -0.0002771000000000, 0.0000432900000000, -0.0036114500000000 ] - [ -0.0066302600000000, -0.0016622800000000, -0.0071036000000000 ] - [ -0.0024093600000000, 0.0024723600000000, 0.0025997700000000 ] - [ -0.0008590600000000, 0.0010226500000000, -0.0019350000000000 ] - [ 0.0006478900000000, 0.0004058700000000, -0.0005543600000000 ] - [ -0.0052390800000000, 0.0048695100000000, 0.0063321100000000 ] - [ -0.0005112300000000, -0.0029686100000000, -0.0016939700000000 ] - [ -0.0012433500000000, -0.0000552300000000, -0.0027452500000000 ] - [ 0.0009310700000000, 0.0006888600000000, 0.0040065200000000 ] - [ 0.0023762800000000, 0.0009812800000000, -0.0013851600000000 ] - [ 0.0007710800000000, 0.0003101600000000, -0.0025424600000000 ] - [ -0.0042115000000000, -0.0005283200000000, 0.0075540500000000 ] - [ 0.0000432900000000, -0.0002771000000000, -0.0036114500000000 ] - [ -0.0016622800000000, -0.0066302600000000, -0.0071036000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0027993800000000, 0.0024031400000000, 0.0012308600000000 ] - [ 0.0008146000000000, -0.0004233300000000, -0.0009462400000000 ] - [ 0.0005149800000000, -0.0005475800000000, 0.0003236500000000 ] - [ -0.0005281600000000, -0.0002991800000000, 0.0008411700000000 ] - [ -0.0006657300000000, 0.0005871000000000, -0.0008085600000000 ] - [ -0.0010979600000000, 0.0003753700000000, 0.0001552900000000 ] - [ -0.0003438100000000, -0.0038271400000000, 0.0041575900000000 ] - [ -0.0014873000000000, 0.0002763600000000, -0.0016027100000000 ] - [ -0.0010104400000000, -0.0008189100000000, -0.0011961500000000 ] - [ -0.0001313800000000, 0.0007028700000000, 0.0012444900000000 ] - [ -0.0000986000000000, 0.0009926700000000, -0.0002342600000000 ] - [ 0.0004956400000000, 0.0006938100000000, -0.0005312400000000 ] - [ -0.0013177500000000, 0.0003130900000000, 0.0016738700000000 ] - [ 0.0003877100000000, 0.0007924300000000, -0.0009935600000000 ] - [ 0.0016979500000000, 0.0011354300000000, -0.0014954600000000 ] - [ -0.0005380400000000, 0.0008264200000000, 0.0000649400000000 ] - [ -0.0010616500000000, 0.0002493700000000, -0.0002233400000000 ] - [ -0.0008558900000000, 0.0004996500000000, -0.0011622200000000 ] - [ 0.0140434800000000, -0.0154325600000000, -0.0180212100000000 ] - [ -0.0013431100000000, -0.0002554000000000, -0.0055165500000000 ] - [ 0.0010915300000000, -0.0009789600000000, -0.0018602800000000 ] - [ 0.0004483900000000, -0.0050768400000000, 0.0042158800000000 ] - [ -0.0007144600000000, -0.0013633700000000, -0.0016855100000000 ] - [ -0.0002410800000000, 0.0004169400000000, -0.0027937000000000 ] - [ -0.0050768400000000, 0.0004483900000000, 0.0042158800000000 ] - [ -0.0013633700000000, -0.0007144600000000, -0.0016855100000000 ] - [ 0.0004169400000000, -0.0002410800000000, -0.0027937000000000 ] - [ 0.0003130900000000, -0.0013177500000000, 0.0016738700000000 ] - [ 0.0007924300000000, 0.0003877100000000, -0.0009935600000000 ] - [ 0.0011354300000000, 0.0016979500000000, -0.0014954600000000 ] - [ -0.0154325600000000, 0.0140434800000000, -0.0180212100000000 ] - [ -0.0002554000000000, -0.0013431100000000, -0.0055165500000000 ] - [ -0.0009789600000000, 0.0010915300000000, -0.0018602800000000 ] - [ 0.0008264200000000, -0.0005380400000000, 0.0000649400000000 ] - [ 0.0002493700000000, -0.0010616500000000, -0.0002233400000000 ] - [ 0.0004996500000000, -0.0008558900000000, -0.0011622200000000 ] - [ -0.0002991800000000, -0.0005281600000000, 0.0008411700000000 ] - [ 0.0005871000000000, -0.0006657300000000, -0.0008085600000000 ] - [ 0.0003753700000000, -0.0010979600000000, 0.0001552900000000 ] - [ 0.0007028700000000, -0.0001313800000000, 0.0012444900000000 ] - [ 0.0009926700000000, -0.0000986000000000, -0.0002342600000000 ] - [ 0.0006938100000000, 0.0004956400000000, -0.0005312400000000 ] - [ -0.0038271400000000, -0.0003438100000000, 0.0041575900000000 ] - [ 0.0002763600000000, -0.0014873000000000, -0.0016027100000000 ] - [ -0.0008189100000000, -0.0010104400000000, -0.0011961500000000 ] - [ 0.0024031400000000, 0.0027993800000000, 0.0012308600000000 ] - [ -0.0004233300000000, 0.0008146000000000, -0.0009462400000000 ] - [ -0.0005475800000000, 0.0005149800000000, 0.0003236500000000 ] - [ 0.0010575000000000, -0.0023481500000000, 0.0047489200000000 ] - [ 0.0003373200000000, -0.0002810900000000, -0.0015279100000000 ] - [ -0.0007361700000000, 0.0008109600000000, -0.0014851000000000 ] - [ 0.0007499900000000, -0.0027812200000000, 0.0007621200000000 ] - [ -0.0048990100000000, 0.0037341100000000, -0.0034143800000000 ] - [ -0.0001862500000000, 0.0000963300000000, -0.0016269800000000 ] - [ -0.0023481500000000, 0.0010575000000000, 0.0047489200000000 ] - [ -0.0002810900000000, 0.0003373200000000, -0.0015279100000000 ] - [ 0.0008109600000000, -0.0007361700000000, -0.0014851000000000 ] - [ -0.0027812200000000, 0.0007499900000000, 0.0007621200000000 ] - [ 0.0037341100000000, -0.0048990100000000, -0.0034143800000000 ] - [ 0.0000963300000000, -0.0001862500000000, -0.0016269800000000 ] - [ -0.0784780700000000, -0.0784780700000000, 0.1897792300000000 ] - [ 0.0010781800000000, 0.0010781800000000, -0.0035546800000000 ] - [ 0.0007577900000000, 0.0007577900000000, -0.0035570700000000 ] - [ 0.0029523100000000, 0.0003389400000000, -0.0000356500000000 ] - [ -0.0003861800000000, 0.0000311700000000, -0.0000490700000000 ] - [ -0.0005873300000000, 0.0005839500000000, -0.0021446900000000 ] - [ 0.0003389400000000, 0.0029523100000000, -0.0000356500000000 ] - [ 0.0000311700000000, -0.0003861800000000, -0.0000490700000000 ] - [ 0.0005839500000000, -0.0005873300000000, -0.0021446900000000 ] - [ 0.0015486600000000, 0.0015486600000000, 0.0023154000000000 ] - [ -0.0004615000000000, -0.0004615000000000, -0.0013827600000000 ] - [ -0.0002111900000000, -0.0002111900000000, -0.0013800300000000 ] - [ 0.0008125900000000, -0.0006819100000000, 0.0029368100000000 ] - [ -0.0002052000000000, 0.0004350700000000, -0.0006590100000000 ] - [ 0.0000515100000000, -0.0000320500000000, -0.0002008600000000 ] - [ -0.0006819100000000, 0.0008125900000000, 0.0029368100000000 ] - [ 0.0004350700000000, -0.0002052000000000, -0.0006590100000000 ] - [ -0.0000320500000000, 0.0000515100000000, -0.0002008600000000 ] - [ 0.0003251800000000, 0.0003251800000000, 0.0010326700000000 ] - [ -0.0003051100000000, -0.0003051100000000, -0.0006110700000000 ] - [ 0.0004525200000000, 0.0004525200000000, 0.0012064800000000 ] - [ 0.0057489200000000, 0.0057489200000000, -0.0081382800000000 ] - [ 0.0005365900000000, 0.0005365900000000, -0.0013426100000000 ] - [ -0.0024553400000000, -0.0024553400000000, 0.0016373400000000 ] - [ 0.0025144900000000, 0.0025144900000000, -0.0037817300000000 ] - [ -0.0000661000000000, -0.0000661000000000, 0.0042487400000000 ] - [ 0.0006270900000000, 0.0006270900000000, 0.0021046400000000 ] - [ -0.0010430100000000, -0.0010430100000000, -0.0010530600000000 ] - [ -0.0008652200000000, -0.0008652200000000, -0.0000852900000000 ] - [ -0.0006243500000000, -0.0006243500000000, 0.0014600200000000 ] - [ -0.0003661800000000, -0.0015941600000000, -0.0031982700000000 ] - [ 0.0004183700000000, -0.0009327800000000, 0.0018205400000000 ] - [ 0.0011516800000000, -0.0007225600000000, 0.0007065900000000 ] - [ -0.0015941600000000, -0.0003661800000000, -0.0031982700000000 ] - [ -0.0009327800000000, 0.0004183700000000, 0.0018205400000000 ] - [ -0.0007225600000000, 0.0011516800000000, 0.0007065900000000 ] - [ -0.0008794100000000, -0.0008794100000000, -0.0018664200000000 ] - [ 0.0010801900000000, 0.0010801900000000, 0.0007647600000000 ] - [ 0.0005501800000000, 0.0005501800000000, 0.0016409400000000 ] - [ 0.0004808700000000, 0.0039723200000000, -0.0016215600000000 ] - [ -0.0003925900000000, 0.0012107300000000, 0.0021194500000000 ] - [ -0.0025838000000000, -0.0032469600000000, 0.0026424400000000 ] - [ 0.0039723200000000, 0.0004808700000000, -0.0016215600000000 ] - [ 0.0012107300000000, -0.0003925900000000, 0.0021194500000000 ] - [ -0.0032469600000000, -0.0025838000000000, 0.0026424400000000 ] - [ 0.0716853500000000, 0.0716853500000000, -0.1409146100000000 ] - [ 0.0002950600000000, 0.0002950600000000, 0.0065127000000000 ] - [ -0.0010939000000000, -0.0010939000000000, 0.0034269400000000 ] - [ -0.0010626000000000, 0.0010050100000000, -0.0025987500000000 ] - [ 0.0003845700000000, -0.0005482300000000, 0.0019387600000000 ] - [ 0.0010035700000000, -0.0020585600000000, 0.0005491300000000 ] - [ 0.0007306900000000, 0.0004640900000000, -0.0040221800000000 ] - [ 0.0004232500000000, -0.0009621900000000, 0.0013937300000000 ] - [ 0.0010968900000000, 0.0006358100000000, 0.0025439200000000 ] - [ -0.0062929900000000, 0.0038432600000000, -0.0063773600000000 ] - [ 0.0015535600000000, -0.0008919500000000, 0.0017033100000000 ] - [ -0.0013540400000000, -0.0001603600000000, 0.0027478600000000 ] - [ -0.0011835200000000, 0.0057117500000000, -0.0074489400000000 ] - [ -0.0011243300000000, 0.0013594600000000, 0.0036100900000000 ] - [ 0.0052477700000000, 0.0031002800000000, 0.0071192000000000 ] - [ 0.0010050100000000, -0.0010626000000000, -0.0025987500000000 ] - [ -0.0005482300000000, 0.0003845700000000, 0.0019387600000000 ] - [ -0.0020585600000000, 0.0010035700000000, 0.0005491300000000 ] - [ 0.0038432600000000, -0.0062929900000000, -0.0063773600000000 ] - [ -0.0008919500000000, 0.0015535600000000, 0.0017033100000000 ] - [ -0.0001603600000000, -0.0013540400000000, 0.0027478600000000 ] - [ 0.0004640900000000, 0.0007306900000000, -0.0040221800000000 ] - [ -0.0009621900000000, 0.0004232500000000, 0.0013937300000000 ] - [ 0.0006358100000000, 0.0010968900000000, 0.0025439200000000 ] - [ 0.0057117500000000, -0.0011835200000000, -0.0074489400000000 ] - [ 0.0013594600000000, -0.0011243300000000, 0.0036100900000000 ] - [ 0.0031002800000000, 0.0052477700000000, 0.0071192000000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001982000000000, 0.0016850700000000, 0.0037682800000000 ] - [ 0.0010911000000000, 0.0001310700000000, 0.0002308300000000 ] - [ -0.0005526500000000, -0.0016516700000000, -0.0086257000000000 ] - [ 0.0005392800000000, 0.0027613900000000, -0.0013208500000000 ] - [ -0.0005926500000000, 0.0001105200000000, 0.0001963700000000 ] - [ 0.0010474000000000, 0.0015255700000000, -0.0009290600000000 ] - [ 0.1717281700000000, -0.0292941100000000, 0.0846608900000000 ] - [ 0.0004279700000000, -0.0010739800000000, 0.0001102900000000 ] - [ 0.0008514600000000, -0.0007713800000000, 0.0023017200000000 ] - [ -0.0026475600000000, -0.0000526200000000, 0.0010389700000000 ] - [ -0.0001358400000000, 0.0006813800000000, 0.0004899000000000 ] - [ -0.0001812900000000, 0.0002443400000000, -0.0002936300000000 ] - [ -0.0020963100000000, 0.0011318100000000, 0.0010427300000000 ] - [ -0.0002002600000000, 0.0008601400000000, 0.0000605500000000 ] - [ -0.0010957400000000, 0.0013318600000000, -0.0002288600000000 ] - [ -0.0031030300000000, 0.0019839800000000, -0.0003443600000000 ] - [ -0.0012130900000000, 0.0004557000000000, -0.0004456100000000 ] - [ -0.0010673100000000, 0.0001893100000000, -0.0001711300000000 ] - [ -0.0031613000000000, -0.0045202400000000, 0.0002169600000000 ] - [ 0.0006504800000000, -0.0012777000000000, -0.0015255200000000 ] - [ 0.0004968900000000, 0.0001905900000000, 0.0000842700000000 ] - [ 0.0014269700000000, -0.0001884100000000, -0.0004655800000000 ] - [ 0.0001264200000000, -0.0007420100000000, -0.0000682900000000 ] - [ 0.0001837400000000, -0.0007758100000000, 0.0002987200000000 ] - [ -0.0030767600000000, -0.0012877400000000, -0.0007839400000000 ] - [ -0.0009967700000000, -0.0001305000000000, -0.0001698900000000 ] - [ -0.0022922500000000, -0.0008415300000000, -0.0000376400000000 ] - [ 0.0003761600000000, 0.0015513900000000, -0.0014798800000000 ] - [ 0.0006982400000000, 0.0001229000000000, -0.0002963700000000 ] - [ 0.0002838500000000, -0.0001295100000000, 0.0002709700000000 ] - [ 0.0028731100000000, -0.0011342100000000, -0.0005365500000000 ] - [ 0.0017195300000000, 0.0006604900000000, 0.0010284300000000 ] - [ 0.0001186900000000, 0.0007391000000000, 0.0001278800000000 ] - [ -0.0020023700000000, 0.0003459400000000, 0.0000386100000000 ] - [ -0.0007110200000000, -0.0005654800000000, 0.0002943400000000 ] - [ -0.0001299900000000, -0.0007133700000000, -0.0001159700000000 ] - [ -0.0044119800000000, -0.0017823200000000, 0.0031001200000000 ] - [ -0.0001159700000000, -0.0009223500000000, 0.0001076600000000 ] - [ -0.0033123900000000, -0.0021363600000000, 0.0004306800000000 ] - [ 0.0015594500000000, -0.0017631300000000, 0.0013750800000000 ] - [ 0.0010298700000000, -0.0002468500000000, 0.0003200700000000 ] - [ 0.0012202200000000, -0.0001525100000000, 0.0001878600000000 ] - [ 0.0378280600000000, -0.0251561100000000, -0.0113978400000000 ] - [ -0.0002103400000000, -0.0005748000000000, 0.0001282300000000 ] - [ 0.0006432200000000, -0.0005135300000000, 0.0006418300000000 ] - [ 0.0013610900000000, 0.0031582000000000, -0.0042022500000000 ] - [ 0.0001512400000000, 0.0008446700000000, 0.0004320600000000 ] - [ 0.0077223000000000, 0.0049463100000000, 0.0052221400000000 ] - [ -0.0004137000000000, 0.0054375000000000, 0.0010464000000000 ] - [ 0.0004891400000000, 0.0002099700000000, 0.0004699000000000 ] - [ 0.0018133700000000, -0.0002462900000000, 0.0002025100000000 ] - [ -0.0055174300000000, 0.0004018900000000, 0.0015628500000000 ] - [ -0.0027274400000000, 0.0012609000000000, -0.0015077700000000 ] - [ -0.0005030800000000, -0.0002450900000000, 0.0000759900000000 ] - [ -0.0044721600000000, -0.0003562100000000, -0.0006180000000000 ] - [ -0.0004825100000000, -0.0003834600000000, -0.0002305300000000 ] - [ -0.0013749600000000, 0.0004326700000000, 0.0008879400000000 ] - [ 0.0021930500000000, 0.0028870000000000, -0.0020649900000000 ] - [ -0.0009230500000000, 0.0019603500000000, 0.0015649500000000 ] - [ 0.0004537000000000, 0.0002589300000000, 0.0000569500000000 ] - [ 0.0022656200000000, -0.0049817200000000, -0.0023622900000000 ] - [ 0.0000973100000000, -0.0000708700000000, -0.0004467900000000 ] - [ -0.0002335000000000, -0.0007432100000000, 0.0002306300000000 ] - [ -0.0029857400000000, 0.0002146100000000, -0.0014164700000000 ] - [ -0.0009205000000000, 0.0003171600000000, -0.0005438800000000 ] - [ -0.0003228400000000, 0.0001862000000000, -0.0007527300000000 ] - [ 0.0002989300000000, 0.0015083400000000, 0.0005461800000000 ] - [ 0.0001547300000000, 0.0003304700000000, -0.0009736300000000 ] - [ -0.0000348100000000, 0.0000932000000000, -0.0002396900000000 ] - [ -0.0009917500000000, -0.0001379100000000, -0.0008645800000000 ] - [ -0.0001710400000000, 0.0000156500000000, -0.0004451600000000 ] - [ -0.0005488300000000, 0.0001085500000000, -0.0006837800000000 ] - [ -0.0043954900000000, -0.0009264100000000, 0.0037595800000000 ] - [ 0.0001238300000000, -0.0003116600000000, 0.0010327000000000 ] - [ -0.0022840100000000, 0.0007016000000000, -0.0033991100000000 ] - [ 0.0041565400000000, 0.0060523000000000, -0.0006377800000000 ] - [ 0.0002403900000000, 0.0001930500000000, 0.0002118900000000 ] - [ 0.0006548100000000, 0.0009380600000000, 0.0023966800000000 ] - [ 0.0001874200000000, -0.0000087700000000, 0.0008992000000000 ] - [ 0.0000745000000000, -0.0000610900000000, 0.0003730100000000 ] - [ -0.0013393100000000, -0.0018229200000000, -0.0010575400000000 ] - [ 0.0025381500000000, -0.0018842100000000, -0.0004734600000000 ] - [ 0.0000192100000000, -0.0003769800000000, 0.0009141600000000 ] - [ 0.0772944800000000, 0.0457233100000000, -0.0706861500000000 ] - [ -0.3226163300000000, 0.0127413200000000, 0.0077741600000000 ] - [ -0.0008634100000000, 0.0014739100000000, 0.0004302700000000 ] - [ -0.0008590500000000, 0.0014706100000000, -0.0012340000000000 ] - [ 0.0038556900000000, 0.0073064400000000, -0.0005408700000000 ] - [ -0.0013717300000000, -0.0000026300000000, -0.0005488500000000 ] - [ -0.0013694200000000, -0.0000056200000000, 0.0004547400000000 ] - [ -0.0073076200000000, -0.0068796100000000, 0.0052400100000000 ] - [ 0.0002778800000000, -0.0007355100000000, 0.0000816200000000 ] - [ -0.0072916100000000, -0.0028546000000000, -0.0014129400000000 ] - [ 0.0057428000000000, 0.0028968200000000, -0.0098280400000000 ] - [ -0.0010642200000000, 0.0007368500000000, -0.0002411900000000 ] - [ 0.0056876900000000, 0.0068461600000000, 0.0088020200000000 ] - [ 0.0029798200000000, -0.0004998400000000, 0.0003683600000000 ] - [ 0.0013088100000000, 0.0001462600000000, -0.0000685300000000 ] - [ 0.0010991200000000, 0.0004508900000000, 0.0000059800000000 ] - [ -0.0010653800000000, -0.0001685600000000, 0.0005272900000000 ] - [ -0.0006092900000000, 0.0005858600000000, -0.0002337700000000 ] - [ 0.0000014900000000, 0.0004251300000000, -0.0012548800000000 ] - [ 0.0031245000000000, 0.0001737700000000, 0.0002739500000000 ] - [ 0.0009399200000000, -0.0005868100000000, -0.0000033400000000 ] - [ 0.0032395200000000, -0.0004219800000000, 0.0002488200000000 ] - [ 0.0007902600000000, 0.0077958600000000, 0.0008392900000000 ] - [ -0.0011987500000000, 0.0001811100000000, 0.0001656100000000 ] - [ -0.0000643400000000, -0.0005036800000000, -0.0010760500000000 ] - [ 0.0013841600000000, -0.0024546600000000, -0.0014933000000000 ] - [ 0.0005999700000000, -0.0008001100000000, -0.0002466000000000 ] - [ 0.0003533700000000, -0.0008111200000000, 0.0011741300000000 ] - [ 0.0144113700000000, -0.0146206100000000, -0.0024135800000000 ] - [ 0.0016466000000000, 0.0003995000000000, 0.0017553700000000 ] - [ 0.0014044600000000, 0.0005484800000000, -0.0010987900000000 ] - [ 0.0085555100000000, 0.0004911300000000, 0.0009994500000000 ] - [ 0.0013371800000000, -0.0003405600000000, -0.0009560500000000 ] - [ 0.0014456000000000, 0.0000192200000000, 0.0005141100000000 ] - [ -0.0077982900000000, -0.0053112900000000, -0.0102585100000000 ] - [ -0.0011621000000000, 0.0008789300000000, -0.0003551000000000 ] - [ -0.0086060700000000, 0.0042738300000000, 0.0008580900000000 ] - [ 0.0028864000000000, 0.0010809000000000, 0.0001507200000000 ] - [ -0.0002097700000000, 0.0006992900000000, -0.0000188700000000 ] - [ 0.0028437500000000, 0.0005166300000000, -0.0002822500000000 ] - [ -0.0054636200000000, -0.0039671500000000, 0.0007166100000000 ] - [ -0.0017506400000000, -0.0021828300000000, 0.0001683100000000 ] - [ -0.0014837000000000, -0.0011409200000000, -0.0005279700000000 ] - [ 0.0128869700000000, -0.0127716300000000, 0.0010006000000000 ] - [ 0.0011932700000000, -0.0000255500000000, -0.0022522000000000 ] - [ -0.0002538900000000, -0.0007701100000000, 0.0011921800000000 ] - [ 0.0137247200000000, 0.0023418000000000, 0.0145758100000000 ] - [ 0.0009906400000000, -0.0006211900000000, -0.0002061200000000 ] - [ 0.0122384500000000, 0.0000675200000000, -0.0133604400000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013995500000000, -0.0016714400000000, -0.0033922000000000 ] - [ 0.0005343900000000, -0.0000885300000000, 0.0001370300000000 ] - [ 0.0021748800000000, 0.0017148800000000, 0.0090564700000000 ] - [ -0.0021673200000000, -0.0028185400000000, 0.0016950200000000 ] - [ -0.0010362200000000, -0.0001541200000000, 0.0001702800000000 ] - [ -0.0026801200000000, -0.0015773200000000, 0.0012959800000000 ] - [ -0.1640710800000000, 0.0245467400000000, -0.0788804200000000 ] - [ -0.0003797900000000, -0.0005576600000000, 0.0002608500000000 ] - [ -0.0008066500000000, -0.0008594500000000, -0.0019501600000000 ] - [ 0.0025968800000000, 0.0016942000000000, -0.0006731300000000 ] - [ 0.0000890900000000, 0.0009474400000000, -0.0001236400000000 ] - [ 0.0001326400000000, 0.0013897700000000, 0.0006685600000000 ] - [ 0.0021284200000000, 0.0004890600000000, -0.0014067600000000 ] - [ 0.0002421600000000, 0.0007672500000000, -0.0004248600000000 ] - [ 0.0011405900000000, 0.0002868800000000, -0.0001311900000000 ] - [ 0.0014741200000000, -0.0019317800000000, -0.0000223300000000 ] - [ -0.0004148600000000, -0.0004053000000000, 0.0000731500000000 ] - [ -0.0005583200000000, -0.0001473000000000, -0.0001940800000000 ] - [ 0.0047575400000000, 0.0044001500000000, -0.0005735400000000 ] - [ 0.0009804300000000, 0.0012272300000000, 0.0011519300000000 ] - [ 0.0011371500000000, -0.0002410300000000, -0.0004536400000000 ] - [ -0.0014511300000000, -0.0014365700000000, 0.0000986100000000 ] - [ -0.0001666700000000, -0.0008843900000000, -0.0002958500000000 ] - [ -0.0002187200000000, -0.0008475200000000, -0.0006618900000000 ] - [ 0.0014452300000000, 0.0012269900000000, 0.0004007000000000 ] - [ -0.0006290900000000, 0.0000869700000000, -0.0001967800000000 ] - [ 0.0006723700000000, 0.0008016100000000, -0.0003205100000000 ] - [ 0.0012588400000000, -0.0014961400000000, 0.0011063100000000 ] - [ 0.0009308300000000, -0.0000776000000000, -0.0000706600000000 ] - [ 0.0013511000000000, 0.0001736400000000, -0.0006383300000000 ] - [ -0.0028550000000000, 0.0027620100000000, 0.0001866600000000 ] - [ -0.0017414800000000, 0.0009652700000000, -0.0013786000000000 ] - [ -0.0001653300000000, 0.0008914900000000, -0.0004972000000000 ] - [ 0.0020365200000000, -0.0019687400000000, -0.0004049000000000 ] - [ 0.0007495000000000, -0.0010619900000000, -0.0006591100000000 ] - [ 0.0001718200000000, -0.0009146500000000, -0.0002483100000000 ] - [ 0.0043589400000000, 0.0001544900000000, -0.0027425100000000 ] - [ 0.0000692400000000, -0.0007060200000000, 0.0002640800000000 ] - [ 0.0032793900000000, 0.0005201000000000, -0.0000553000000000 ] - [ 0.0000611400000000, 0.0017407200000000, -0.0010186900000000 ] - [ 0.0005959200000000, 0.0002058700000000, 0.0000461200000000 ] - [ 0.0004033100000000, 0.0001125400000000, 0.0001752300000000 ] - [ -0.0393741700000000, 0.0260019200000000, 0.0123607600000000 ] - [ -0.0014192200000000, 0.0006192300000000, 0.0002414300000000 ] - [ -0.0022865200000000, 0.0005583600000000, -0.0002825400000000 ] - [ -0.0013022100000000, -0.0015256900000000, 0.0045826100000000 ] - [ -0.0001071800000000, 0.0007825900000000, -0.0000660300000000 ] - [ -0.0075526100000000, -0.0033575100000000, -0.0048893300000000 ] - [ 0.0003803200000000, -0.0053550600000000, -0.0010376700000000 ] - [ -0.0004905100000000, -0.0002089400000000, -0.0004652000000000 ] - [ -0.0018356800000000, 0.0002530700000000, -0.0002163100000000 ] - [ 0.0055051500000000, -0.0003841900000000, -0.0015342700000000 ] - [ 0.0027275400000000, -0.0012571600000000, 0.0014911900000000 ] - [ 0.0005093900000000, 0.0002467800000000, -0.0000717500000000 ] - [ 0.0044449100000000, 0.0003903900000000, 0.0005894000000000 ] - [ 0.0004852900000000, 0.0003832700000000, 0.0002277600000000 ] - [ 0.0013862800000000, -0.0004314300000000, -0.0008836000000000 ] - [ -0.0022136600000000, -0.0028753900000000, 0.0020565400000000 ] - [ 0.0009003500000000, -0.0019472700000000, -0.0015479600000000 ] - [ -0.0004582500000000, -0.0002607500000000, -0.0000555100000000 ] - [ -0.0021146100000000, 0.0050576800000000, 0.0013204000000000 ] - [ 0.0000348300000000, 0.0002005500000000, -0.0005622400000000 ] - [ 0.0003853300000000, 0.0008838000000000, -0.0012584600000000 ] - [ 0.0028467800000000, -0.0000983300000000, 0.0004051400000000 ] - [ 0.0007849500000000, -0.0001873700000000, -0.0004731400000000 ] - [ 0.0001942400000000, -0.0000582900000000, -0.0002533400000000 ] - [ -0.0001625600000000, -0.0016373300000000, -0.0015524500000000 ] - [ -0.0000202800000000, -0.0004593800000000, -0.0000385100000000 ] - [ 0.0001671600000000, -0.0002239500000000, -0.0007721400000000 ] - [ 0.0008570800000000, 0.0000105000000000, -0.0001495500000000 ] - [ 0.0000399200000000, -0.0001457800000000, -0.0005651100000000 ] - [ 0.0004191000000000, -0.0002347200000000, -0.0003213000000000 ] - [ 0.0045063100000000, 0.0007944800000000, -0.0027993700000000 ] - [ 0.0000045400000000, 0.0001785700000000, -0.0000215200000000 ] - [ 0.0024304100000000, -0.0008332800000000, 0.0044431800000000 ] - [ -0.0042639500000000, -0.0059046500000000, 0.0016447500000000 ] - [ -0.0003701900000000, -0.0000611500000000, 0.0007991000000000 ] - [ -0.0007786000000000, -0.0008139200000000, -0.0013927900000000 ] - [ -0.0000651300000000, 0.0001440200000000, 0.0001076500000000 ] - [ 0.0000553500000000, 0.0001936700000000, 0.0006402800000000 ] - [ 0.0014680900000000, 0.0019637800000000, 0.0020688000000000 ] - [ -0.0026551400000000, 0.0017375300000000, 0.0014922100000000 ] - [ -0.0001504900000000, 0.0002473400000000, 0.0000953000000000 ] - [ -0.0769460400000000, -0.0447729000000000, 0.0697105700000000 ] - [ 0.3155392100000000, -0.0099463500000000, -0.0117484500000000 ] - [ 0.0022356100000000, -0.0001018500000000, -0.0003780400000000 ] - [ 0.0022398600000000, -0.0001051600000000, 0.0013098600000000 ] - [ -0.0052254100000000, -0.0087471600000000, 0.0006106900000000 ] - [ 0.0000086900000000, -0.0013688600000000, 0.0006135500000000 ] - [ 0.0000109100000000, -0.0013720300000000, -0.0003972900000000 ] - [ 0.0086481700000000, 0.0055357100000000, -0.0051972100000000 ] - [ 0.0010935700000000, -0.0006321100000000, -0.0000197800000000 ] - [ 0.0086649300000000, 0.0015520400000000, 0.0015351500000000 ] - [ -0.0070361000000000, -0.0015093600000000, 0.0099424900000000 ] - [ -0.0003004800000000, 0.0006337400000000, 0.0003003200000000 ] - [ -0.0070918600000000, -0.0055702200000000, -0.0088316800000000 ] - [ -0.0016062700000000, 0.0018652000000000, -0.0004282400000000 ] - [ 0.0000621200000000, 0.0012190200000000, 0.0000077500000000 ] - [ 0.0002664100000000, 0.0009190100000000, -0.0000730900000000 ] - [ -0.0003152100000000, 0.0015321400000000, -0.0005864300000000 ] - [ -0.0007631600000000, 0.0007804800000000, 0.0001722400000000 ] - [ -0.0013787700000000, 0.0009438200000000, 0.0011886900000000 ] - [ -0.0017460000000000, -0.0015275300000000, -0.0003245100000000 ] - [ 0.0004270300000000, -0.0007816100000000, -0.0000617600000000 ] - [ -0.0018739000000000, -0.0009409800000000, -0.0003240600000000 ] - [ -0.0021927800000000, -0.0090348900000000, -0.0008974800000000 ] - [ -0.0001787200000000, -0.0015392000000000, -0.0002244500000000 ] - [ -0.0013053500000000, -0.0008596700000000, 0.0010183900000000 ] - [ 0.0000449800000000, 0.0010317300000000, 0.0014904900000000 ] - [ 0.0008077100000000, -0.0006060300000000, 0.0002442200000000 ] - [ 0.0010702300000000, -0.0005965500000000, -0.0011730600000000 ] - [ -0.0129739700000000, 0.0158640500000000, 0.0024104500000000 ] - [ -0.0002513600000000, 0.0010019300000000, -0.0017499800000000 ] - [ -0.0000136800000000, 0.0008540500000000, 0.0011022500000000 ] - [ -0.0099354300000000, -0.0018894000000000, -0.0009975300000000 ] - [ -0.0027419400000000, -0.0010588600000000, 0.0009665200000000 ] - [ -0.0028650700000000, -0.0014262300000000, -0.0005301200000000 ] - [ 0.0063241300000000, 0.0066486600000000, 0.0101277400000000 ] - [ -0.0002388200000000, 0.0005234700000000, 0.0003542000000000 ] - [ 0.0072700300000000, -0.0029465800000000, -0.0007930200000000 ] - [ -0.0042815400000000, 0.0003036100000000, -0.0001304400000000 ] - [ -0.0011952100000000, 0.0007039100000000, 0.0000175700000000 ] - [ -0.0042540800000000, 0.0008684500000000, 0.0002665500000000 ] - [ 0.0040422500000000, 0.0025431000000000, -0.0007085500000000 ] - [ 0.0003420700000000, 0.0007709200000000, -0.0001777900000000 ] - [ 0.0000823200000000, -0.0002637500000000, 0.0005316400000000 ] - [ -0.0113741300000000, 0.0142397600000000, -0.0009265200000000 ] - [ 0.0002223400000000, 0.0014348200000000, 0.0022471500000000 ] - [ 0.0016727700000000, 0.0021889400000000, -0.0012078900000000 ] - [ -0.0122668500000000, -0.0037706700000000, -0.0144197000000000 ] - [ 0.0004066400000000, -0.0007788100000000, 0.0002073700000000 ] - [ -0.0108723600000000, -0.0014569800000000, 0.0132024100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0023550800000000, -0.0007548800000000, -0.0022793900000000 ] - [ 0.0004105800000000, -0.0007668000000000, -0.0017170800000000 ] - [ -0.0070117200000000, 0.0003980500000000, 0.0008954400000000 ] - [ -0.0004880900000000, 0.0032437600000000, -0.0018721400000000 ] - [ -0.0007409400000000, 0.0006046800000000, -0.0011874700000000 ] - [ -0.0021043500000000, -0.0038459300000000, 0.0030530500000000 ] - [ 0.0823939500000000, -0.0135472400000000, 0.0798959600000000 ] - [ -0.0017047900000000, -0.0000554600000000, -0.0024634100000000 ] - [ -0.0005022500000000, -0.0015339100000000, -0.0039468700000000 ] - [ -0.0011502800000000, 0.0014790600000000, 0.0024976700000000 ] - [ 0.0006646000000000, 0.0008331800000000, -0.0011516300000000 ] - [ 0.0000433800000000, 0.0002533800000000, -0.0004447800000000 ] - [ 0.0006113200000000, 0.0003612800000000, -0.0002240100000000 ] - [ 0.0007861800000000, 0.0009695600000000, -0.0014597700000000 ] - [ -0.0008128000000000, 0.0014665500000000, 0.0003350400000000 ] - [ -0.0015627700000000, 0.0001241100000000, 0.0013486200000000 ] - [ -0.0009780900000000, 0.0006573800000000, -0.0009713500000000 ] - [ -0.0007080900000000, 0.0000302300000000, -0.0008786500000000 ] - [ 0.0039235800000000, 0.0024046000000000, 0.0062783400000000 ] - [ 0.0005643800000000, -0.0011651000000000, -0.0016545700000000 ] - [ 0.0015915500000000, -0.0009653200000000, -0.0018780500000000 ] - [ -0.0005874600000000, -0.0011150900000000, 0.0005028000000000 ] - [ -0.0007159800000000, -0.0009421600000000, -0.0016017200000000 ] - [ 0.0021604400000000, 0.0005809700000000, 0.0007428700000000 ] - [ -0.0011150900000000, -0.0005874600000000, 0.0005028000000000 ] - [ -0.0009421600000000, -0.0007159800000000, -0.0016017200000000 ] - [ 0.0005809700000000, 0.0021604400000000, 0.0007428700000000 ] - [ 0.0003612800000000, 0.0006113200000000, -0.0002240100000000 ] - [ 0.0009695600000000, 0.0007861800000000, -0.0014597700000000 ] - [ 0.0014665500000000, -0.0008128000000000, 0.0003350400000000 ] - [ 0.0024046000000000, 0.0039235800000000, 0.0062783400000000 ] - [ -0.0011651000000000, 0.0005643800000000, -0.0016545700000000 ] - [ -0.0009653200000000, 0.0015915500000000, -0.0018780500000000 ] - [ 0.0001241100000000, -0.0015627700000000, 0.0013486200000000 ] - [ 0.0006573800000000, -0.0009780900000000, -0.0009713500000000 ] - [ 0.0000302300000000, -0.0007080900000000, -0.0008786500000000 ] - [ 0.0032437600000000, -0.0004880900000000, -0.0018721400000000 ] - [ 0.0006046800000000, -0.0007409400000000, -0.0011874700000000 ] - [ -0.0038459300000000, -0.0021043500000000, 0.0030530500000000 ] - [ 0.0014790600000000, -0.0011502800000000, 0.0024976700000000 ] - [ 0.0008331800000000, 0.0006646000000000, -0.0011516300000000 ] - [ 0.0002533800000000, 0.0000433800000000, -0.0004447800000000 ] - [ -0.0135472400000000, 0.0823939500000000, 0.0798959600000000 ] - [ -0.0000554600000000, -0.0017047900000000, -0.0024634100000000 ] - [ -0.0015339100000000, -0.0005022500000000, -0.0039468700000000 ] - [ -0.0007548800000000, 0.0023550800000000, -0.0022793900000000 ] - [ -0.0007668000000000, 0.0004105800000000, -0.0017170800000000 ] - [ 0.0003980500000000, -0.0070117200000000, 0.0008954400000000 ] - [ 0.0010170000000000, -0.0042428200000000, 0.0009437300000000 ] - [ -0.0000611500000000, -0.0000807100000000, -0.0020629100000000 ] - [ -0.0035401700000000, 0.0029961000000000, -0.0023846600000000 ] - [ 0.0004013400000000, -0.0019367600000000, 0.0054708700000000 ] - [ -0.0009621700000000, 0.0011300400000000, -0.0016676600000000 ] - [ 0.0001986600000000, -0.0001299900000000, -0.0020605700000000 ] - [ -0.0042428200000000, 0.0010170000000000, 0.0009437300000000 ] - [ -0.0000807100000000, -0.0000611500000000, -0.0020629100000000 ] - [ 0.0029961000000000, -0.0035401700000000, -0.0023846600000000 ] - [ -0.0019367600000000, 0.0004013400000000, 0.0054708700000000 ] - [ 0.0011300400000000, -0.0009621700000000, -0.0016676600000000 ] - [ -0.0001299900000000, 0.0001986600000000, -0.0020605700000000 ] - [ -0.0059385100000000, -0.0059385100000000, 0.0032788800000000 ] - [ 0.0006400500000000, 0.0006400500000000, -0.0025770100000000 ] - [ 0.0027908400000000, 0.0027908400000000, -0.0047054000000000 ] - [ 0.0011531800000000, -0.0000546100000000, 0.0027194700000000 ] - [ 0.0000807600000000, -0.0000342700000000, -0.0011804600000000 ] - [ -0.0006825000000000, 0.0008234300000000, -0.0022910100000000 ] - [ -0.0000546100000000, 0.0011531800000000, 0.0027194700000000 ] - [ -0.0000342700000000, 0.0000807600000000, -0.0011804600000000 ] - [ 0.0008234300000000, -0.0006825000000000, -0.0022910100000000 ] - [ 0.0003075600000000, 0.0003075600000000, 0.0005762100000000 ] - [ -0.0005283300000000, -0.0005283300000000, -0.0019315400000000 ] - [ -0.0000465500000000, -0.0000465500000000, -0.0003878300000000 ] - [ 0.0052607500000000, 0.0004683000000000, 0.0021198600000000 ] - [ -0.0004972200000000, 0.0006476200000000, -0.0016400500000000 ] - [ -0.0020282900000000, 0.0009355100000000, -0.0021594000000000 ] - [ 0.0004683000000000, 0.0052607500000000, 0.0021198600000000 ] - [ 0.0006476200000000, -0.0004972200000000, -0.0016400500000000 ] - [ 0.0009355100000000, -0.0020282900000000, -0.0021594000000000 ] - [ 0.0001046200000000, 0.0001046200000000, -0.0002824600000000 ] - [ -0.0006495600000000, -0.0006495600000000, -0.0011635300000000 ] - [ -0.0000578100000000, -0.0000578100000000, 0.0023288700000000 ] - [ 0.0009771200000000, 0.0009771200000000, -0.0060692500000000 ] - [ 0.0011428000000000, 0.0011428000000000, -0.0029430600000000 ] - [ -0.0680241100000000, -0.0680241100000000, 0.1341072800000000 ] - [ 0.0072519300000000, 0.0072519300000000, -0.3206384400000000 ] - [ -0.0005951600000000, -0.0005951600000000, 0.0063833800000000 ] - [ 0.0010872900000000, 0.0010872900000000, 0.0063603300000000 ] - [ -0.0000904100000000, -0.0000904100000000, -0.0052501800000000 ] - [ -0.0011101000000000, -0.0011101000000000, 0.0021853800000000 ] - [ -0.0001046300000000, -0.0001046300000000, 0.0021877600000000 ] - [ -0.0007901400000000, -0.0094966100000000, 0.0044478900000000 ] - [ 0.0007339200000000, -0.0004148900000000, 0.0030436800000000 ] - [ 0.0058731900000000, 0.0091666900000000, 0.0044447000000000 ] - [ -0.0094966100000000, -0.0007901400000000, 0.0044478900000000 ] - [ -0.0004148900000000, 0.0007339200000000, 0.0030436800000000 ] - [ 0.0091666900000000, 0.0058731900000000, 0.0044447000000000 ] - [ 0.0002878300000000, 0.0002878300000000, -0.0013392400000000 ] - [ 0.0007224700000000, 0.0007224700000000, 0.0017428500000000 ] - [ 0.0006446300000000, 0.0006446300000000, 0.0003925500000000 ] - [ -0.0001266000000000, 0.0003876700000000, 0.0004536000000000 ] - [ -0.0008870200000000, 0.0006554000000000, 0.0022958900000000 ] - [ -0.0019036800000000, 0.0003968000000000, -0.0031906200000000 ] - [ 0.0003876700000000, -0.0001266000000000, 0.0004536000000000 ] - [ 0.0006554000000000, -0.0008870200000000, 0.0022958900000000 ] - [ 0.0003968000000000, -0.0019036800000000, -0.0031906200000000 ] - [ 0.0001775800000000, 0.0001775800000000, -0.0116566900000000 ] - [ -0.0004888000000000, -0.0004888000000000, 0.0024546200000000 ] - [ -0.0017278500000000, -0.0017278500000000, 0.0033938800000000 ] - [ -0.0011404500000000, -0.0000268200000000, -0.0004851600000000 ] - [ 0.0006772900000000, -0.0008322800000000, 0.0027743800000000 ] - [ 0.0026767700000000, -0.0010187400000000, -0.0023391700000000 ] - [ 0.0062883500000000, -0.0079093400000000, -0.0111538300000000 ] - [ 0.0016572200000000, -0.0004532700000000, 0.0033664200000000 ] - [ -0.0004568700000000, 0.0021556200000000, 0.0031085500000000 ] - [ -0.0006297600000000, -0.0005713300000000, -0.0063671700000000 ] - [ -0.0009364600000000, -0.0000911100000000, 0.0033569100000000 ] - [ -0.0008175300000000, -0.0007657800000000, 0.0025334900000000 ] - [ 0.0004010600000000, 0.0128861400000000, 0.0103669500000000 ] - [ -0.0001830200000000, 0.0005946400000000, 0.0042822500000000 ] - [ 0.0067419400000000, -0.0246282600000000, 0.0082114600000000 ] - [ -0.0000268200000000, -0.0011404500000000, -0.0004851600000000 ] - [ -0.0008322800000000, 0.0006772900000000, 0.0027743800000000 ] - [ -0.0010187400000000, 0.0026767700000000, -0.0023391700000000 ] - [ -0.0005713300000000, -0.0006297600000000, -0.0063671700000000 ] - [ -0.0000911100000000, -0.0009364600000000, 0.0033569100000000 ] - [ -0.0007657800000000, -0.0008175300000000, 0.0025334900000000 ] - [ -0.0079093400000000, 0.0062883500000000, -0.0111538300000000 ] - [ -0.0004532700000000, 0.0016572200000000, 0.0033664200000000 ] - [ 0.0021556200000000, -0.0004568700000000, 0.0031085500000000 ] - [ 0.0128861400000000, 0.0004010600000000, 0.0103669500000000 ] - [ 0.0005946400000000, -0.0001830200000000, 0.0042822500000000 ] - [ -0.0246282600000000, 0.0067419400000000, 0.0082114600000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007239200000000, 0.0008083700000000, 0.0026666500000000 ] - [ 0.0012197200000000, 0.0008127100000000, 0.0020902400000000 ] - [ 0.0087186500000000, -0.0003321600000000, -0.0005358500000000 ] - [ -0.0011427300000000, -0.0033047400000000, 0.0022508700000000 ] - [ -0.0008869200000000, -0.0006494200000000, 0.0015591700000000 ] - [ 0.0004870300000000, 0.0038295800000000, -0.0027054200000000 ] - [ -0.0792973900000000, 0.0108891500000000, -0.0786483000000000 ] - [ 0.0017449800000000, -0.0015674300000000, 0.0028307500000000 ] - [ 0.0005447100000000, -0.0000930600000000, 0.0043293700000000 ] - [ 0.0011189100000000, 0.0001440200000000, -0.0021416300000000 ] - [ -0.0007111800000000, 0.0007950400000000, 0.0015242200000000 ] - [ -0.0000846800000000, 0.0013771600000000, 0.0008123700000000 ] - [ -0.0005768000000000, 0.0012673200000000, -0.0001354800000000 ] - [ -0.0007455100000000, 0.0006570600000000, 0.0010979900000000 ] - [ 0.0008636600000000, 0.0001572600000000, -0.0007056000000000 ] - [ -0.0000597500000000, -0.0000846600000000, -0.0017211000000000 ] - [ -0.0006489500000000, -0.0006174300000000, 0.0006100700000000 ] - [ -0.0009202400000000, 0.0000141200000000, 0.0005131100000000 ] - [ -0.0023174400000000, -0.0024438000000000, -0.0066717900000000 ] - [ 0.0010605500000000, 0.0011271300000000, 0.0012945700000000 ] - [ 0.0000347000000000, 0.0009210900000000, 0.0015133400000000 ] - [ 0.0005480100000000, -0.0005146900000000, -0.0008697700000000 ] - [ 0.0006759200000000, -0.0006849000000000, 0.0012398400000000 ] - [ -0.0022109000000000, -0.0022120400000000, -0.0011134900000000 ] - [ -0.0005146900000000, 0.0005480100000000, -0.0008697700000000 ] - [ -0.0006849000000000, 0.0006759200000000, 0.0012398400000000 ] - [ -0.0022120400000000, -0.0022109000000000, -0.0011134900000000 ] - [ 0.0012673200000000, -0.0005768000000000, -0.0001354800000000 ] - [ 0.0006570600000000, -0.0007455100000000, 0.0010979900000000 ] - [ 0.0001572600000000, 0.0008636600000000, -0.0007056000000000 ] - [ -0.0024438000000000, -0.0023174400000000, -0.0066717900000000 ] - [ 0.0011271300000000, 0.0010605500000000, 0.0012945700000000 ] - [ 0.0009210900000000, 0.0000347000000000, 0.0015133400000000 ] - [ -0.0000846600000000, -0.0000597500000000, -0.0017211000000000 ] - [ -0.0006174300000000, -0.0006489500000000, 0.0006100700000000 ] - [ 0.0000141200000000, -0.0009202400000000, 0.0005131100000000 ] - [ -0.0033047400000000, -0.0011427300000000, 0.0022508700000000 ] - [ -0.0006494200000000, -0.0008869200000000, 0.0015591700000000 ] - [ 0.0038295800000000, 0.0004870300000000, -0.0027054200000000 ] - [ 0.0001440200000000, 0.0011189100000000, -0.0021416300000000 ] - [ 0.0007950400000000, -0.0007111800000000, 0.0015242200000000 ] - [ 0.0013771600000000, -0.0000846800000000, 0.0008123700000000 ] - [ 0.0108891500000000, -0.0792973900000000, -0.0786483000000000 ] - [ -0.0015674300000000, 0.0017449800000000, 0.0028307500000000 ] - [ -0.0000930600000000, 0.0005447100000000, 0.0043293700000000 ] - [ 0.0008083700000000, -0.0007239200000000, 0.0026666500000000 ] - [ 0.0008127100000000, 0.0012197200000000, 0.0020902400000000 ] - [ -0.0003321600000000, 0.0087186500000000, -0.0005358500000000 ] - [ -0.0010269100000000, 0.0042988500000000, -0.0009293400000000 ] - [ 0.0000624500000000, 0.0000791800000000, 0.0020709100000000 ] - [ 0.0035502700000000, -0.0030071500000000, 0.0023875600000000 ] - [ -0.0003941100000000, 0.0019408700000000, -0.0054981100000000 ] - [ 0.0009640000000000, -0.0011301500000000, 0.0016761600000000 ] - [ -0.0002001600000000, 0.0001303200000000, 0.0020675100000000 ] - [ 0.0042988500000000, -0.0010269100000000, -0.0009293400000000 ] - [ 0.0000791800000000, 0.0000624500000000, 0.0020709100000000 ] - [ -0.0030071500000000, 0.0035502700000000, 0.0023875600000000 ] - [ 0.0019408700000000, -0.0003941100000000, -0.0054981100000000 ] - [ -0.0011301500000000, 0.0009640000000000, 0.0016761600000000 ] - [ 0.0001303200000000, -0.0002001600000000, 0.0020675100000000 ] - [ 0.0060607500000000, 0.0060607500000000, -0.0042779000000000 ] - [ -0.0005118400000000, -0.0005118400000000, 0.0015725300000000 ] - [ -0.0026656600000000, -0.0026656600000000, 0.0037059600000000 ] - [ -0.0012897800000000, 0.0001848200000000, -0.0037483200000000 ] - [ -0.0002105200000000, 0.0001632100000000, 0.0001759000000000 ] - [ 0.0005541800000000, -0.0006953500000000, 0.0012862800000000 ] - [ 0.0001848200000000, -0.0012897800000000, -0.0037483200000000 ] - [ 0.0001632100000000, -0.0002105200000000, 0.0001759000000000 ] - [ -0.0006953500000000, 0.0005541800000000, 0.0012862800000000 ] - [ -0.0004398300000000, -0.0004398300000000, -0.0015894800000000 ] - [ 0.0003992500000000, 0.0003992500000000, 0.0009271900000000 ] - [ -0.0000851000000000, -0.0000851000000000, -0.0006253100000000 ] - [ -0.0051528700000000, -0.0006089000000000, -0.0010978300000000 ] - [ 0.0006321000000000, -0.0007809700000000, 0.0026588800000000 ] - [ 0.0021686600000000, -0.0010682300000000, 0.0031822800000000 ] - [ -0.0006089000000000, -0.0051528700000000, -0.0010978300000000 ] - [ -0.0007809700000000, 0.0006321000000000, 0.0026588800000000 ] - [ -0.0010682300000000, 0.0021686600000000, 0.0031822800000000 ] - [ 0.0000288000000000, 0.0000288000000000, 0.0013014500000000 ] - [ 0.0007831200000000, 0.0007831200000000, 0.0021802700000000 ] - [ 0.0001861200000000, 0.0001861200000000, -0.0013277800000000 ] - [ -0.0011067600000000, -0.0011067600000000, 0.0070421600000000 ] - [ -0.0012792700000000, -0.0012792700000000, 0.0039674000000000 ] - [ 0.0722271500000000, 0.0722271500000000, -0.1403568700000000 ] - [ -0.0124167600000000, -0.0124167600000000, 0.3263701900000000 ] - [ 0.0019487400000000, 0.0019487400000000, -0.0063037100000000 ] - [ 0.0002791200000000, 0.0002791200000000, -0.0063266200000000 ] - [ -0.0012419800000000, -0.0012419800000000, 0.0053292300000000 ] - [ -0.0002581500000000, -0.0002581500000000, -0.0021354100000000 ] - [ -0.0012669000000000, -0.0012669000000000, -0.0021330300000000 ] - [ 0.0021577400000000, 0.0081364400000000, -0.0044186200000000 ] - [ 0.0006326600000000, -0.0009567500000000, -0.0029918600000000 ] - [ -0.0045641200000000, -0.0106040400000000, -0.0044222300000000 ] - [ 0.0081364400000000, 0.0021577400000000, -0.0044186200000000 ] - [ -0.0009567500000000, 0.0006326600000000, -0.0029918600000000 ] - [ -0.0106040400000000, -0.0045641200000000, -0.0044222300000000 ] - [ 0.0010841600000000, 0.0010841600000000, 0.0012785400000000 ] - [ 0.0006461800000000, 0.0006461800000000, -0.0018137000000000 ] - [ 0.0007233600000000, 0.0007233600000000, -0.0004529700000000 ] - [ -0.0012403000000000, 0.0009858400000000, -0.0005231300000000 ] - [ -0.0004805900000000, 0.0007133800000000, -0.0023643300000000 ] - [ 0.0005394800000000, 0.0009691800000000, 0.0031441500000000 ] - [ 0.0009858400000000, -0.0012403000000000, -0.0005231300000000 ] - [ 0.0007133800000000, -0.0004805900000000, -0.0023643300000000 ] - [ 0.0009691800000000, 0.0005394800000000, 0.0031441500000000 ] - [ -0.0015592900000000, -0.0015592900000000, 0.0116030700000000 ] - [ -0.0008784300000000, -0.0008784300000000, -0.0025239200000000 ] - [ 0.0003660300000000, 0.0003660300000000, -0.0034641800000000 ] - [ 0.0025527100000000, -0.0013834600000000, 0.0004749500000000 ] - [ 0.0007250600000000, -0.0005709200000000, -0.0027842000000000 ] - [ -0.0012830600000000, -0.0003856400000000, 0.0023558900000000 ] - [ -0.0049168600000000, 0.0093899200000000, 0.0112217800000000 ] - [ -0.0002531800000000, 0.0018559800000000, -0.0033822100000000 ] - [ 0.0018690400000000, -0.0007582300000000, -0.0031186100000000 ] - [ -0.0007829800000000, -0.0008412200000000, 0.0063992800000000 ] - [ -0.0004655500000000, -0.0013149900000000, -0.0033706600000000 ] - [ -0.0005905500000000, -0.0006367200000000, -0.0025407500000000 ] - [ -0.0018567200000000, -0.0114328300000000, -0.0104192900000000 ] - [ -0.0012214800000000, 0.0008138400000000, -0.0042923500000000 ] - [ -0.0081460900000000, 0.0261722600000000, -0.0082573500000000 ] - [ -0.0013834600000000, 0.0025527100000000, 0.0004749500000000 ] - [ -0.0005709200000000, 0.0007250600000000, -0.0027842000000000 ] - [ -0.0003856400000000, -0.0012830600000000, 0.0023558900000000 ] - [ -0.0008412200000000, -0.0007829800000000, 0.0063992800000000 ] - [ -0.0013149900000000, -0.0004655500000000, -0.0033706600000000 ] - [ -0.0006367200000000, -0.0005905500000000, -0.0025407500000000 ] - [ 0.0093899200000000, -0.0049168600000000, 0.0112217800000000 ] - [ 0.0018559800000000, -0.0002531800000000, -0.0033822100000000 ] - [ -0.0007582300000000, 0.0018690400000000, -0.0031186100000000 ] - [ -0.0114328300000000, -0.0018567200000000, -0.0104192900000000 ] - [ 0.0008138400000000, -0.0012214800000000, -0.0042923500000000 ] - [ 0.0261722600000000, -0.0081460900000000, -0.0082573500000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0037252600000000, 0.0033919500000000, 0.0010487300000000 ] - [ 0.0012030000000000, 0.0003468200000000, 0.0001781600000000 ] - [ 0.0012055000000000, 0.0007172900000000, 0.0011110600000000 ] - [ 0.0034750200000000, -0.0103414000000000, 0.0038428200000000 ] - [ -0.0003616500000000, 0.0003635200000000, -0.0001005200000000 ] - [ -0.0005872500000000, -0.0010375200000000, 0.0019363400000000 ] - [ -0.0014799300000000, -0.0012911800000000, 0.0007369200000000 ] - [ -0.0010043400000000, -0.0006254200000000, -0.0007840900000000 ] - [ -0.0001766700000000, -0.0008191600000000, 0.0002426300000000 ] - [ 0.0043504500000000, 0.0015847600000000, -0.0024861500000000 ] - [ -0.0005677300000000, 0.0024705200000000, 0.0017548500000000 ] - [ 0.0002822400000000, 0.0008935100000000, 0.0001271200000000 ] - [ 0.0005166500000000, -0.0038893000000000, 0.0003959400000000 ] - [ 0.0005993900000000, -0.0004717700000000, 0.0006856200000000 ] - [ 0.0004273400000000, 0.0005044600000000, -0.0009143100000000 ] - [ -0.0049847400000000, 0.0072381100000000, -0.0069661400000000 ] - [ -0.0051659900000000, 0.0036071800000000, 0.0003182400000000 ] - [ -0.0010659400000000, 0.0000217000000000, 0.0000974900000000 ] - [ -0.0001986600000000, 0.0003885400000000, -0.0001511300000000 ] - [ -0.0009376300000000, 0.0007173700000000, 0.0006182000000000 ] - [ 0.0005524100000000, 0.0001299100000000, -0.0000842400000000 ] - [ -0.0080032200000000, -0.0015394600000000, -0.0017956400000000 ] - [ -0.0021388500000000, -0.0009981000000000, -0.0020726400000000 ] - [ -0.0006933800000000, -0.0008638300000000, -0.0002384100000000 ] - [ -0.0039788500000000, -0.0053694300000000, -0.0024255400000000 ] - [ -0.0012172800000000, -0.0001408500000000, 0.0000346500000000 ] - [ -0.0010151600000000, -0.0006729300000000, -0.0005060800000000 ] - [ -0.0045300200000000, -0.0017379500000000, 0.0013485600000000 ] - [ -0.0005235800000000, -0.0003599900000000, 0.0006808100000000 ] - [ 0.0000146800000000, -0.0003219500000000, -0.0004750900000000 ] - [ -0.0022937000000000, 0.0014727600000000, -0.0000400700000000 ] - [ -0.0045352500000000, 0.0019269400000000, -0.0027714800000000 ] - [ -0.0003269300000000, 0.0008081600000000, -0.0004180600000000 ] - [ 0.0067435100000000, -0.0042963700000000, -0.0072964000000000 ] - [ 0.0028410900000000, -0.0004332200000000, -0.0003421100000000 ] - [ 0.0002523900000000, -0.0009382200000000, -0.0000605100000000 ] - [ 0.0027260500000000, 0.0010228400000000, -0.0011892600000000 ] - [ 0.0004497400000000, -0.0004791200000000, 0.0002240500000000 ] - [ 0.0008950200000000, -0.0007315900000000, -0.0001116400000000 ] - [ 0.0115902800000000, -0.0016835900000000, -0.0025114500000000 ] - [ 0.0049936300000000, -0.0045758800000000, 0.0006298100000000 ] - [ 0.0011298500000000, -0.0001513100000000, 0.0003991700000000 ] - [ -0.0008680300000000, 0.0022893600000000, 0.0019829600000000 ] - [ -0.0006504900000000, 0.0004122400000000, -0.0006415700000000 ] - [ -0.0007206600000000, 0.0000558900000000, 0.0004059500000000 ] - [ -0.0074268300000000, -0.0032937500000000, -0.0024651400000000 ] - [ -0.0004522900000000, 0.0006228200000000, -0.0003102900000000 ] - [ -0.0005621100000000, 0.0008024000000000, 0.0005474400000000 ] - [ 0.0238598000000000, -0.0105294700000000, -0.0097560500000000 ] - [ 0.0022668600000000, 0.0001367600000000, -0.0051384700000000 ] - [ 0.0005234400000000, -0.0003452500000000, 0.0006378200000000 ] - [ -0.0011080000000000, 0.0007413800000000, -0.0002045700000000 ] - [ -0.0033269500000000, 0.0015558800000000, 0.0006904400000000 ] - [ -0.0006587900000000, 0.0004274200000000, 0.0003672500000000 ] - [ -0.0024364900000000, 0.0007174700000000, -0.0008939400000000 ] - [ -0.0014137700000000, 0.0000583100000000, 0.0002682500000000 ] - [ -0.0005486200000000, 0.0001920600000000, -0.0000666900000000 ] - [ 0.0023783000000000, 0.0007572600000000, 0.0049293100000000 ] - [ 0.0216186000000000, -0.0068275200000000, 0.0061493100000000 ] - [ 0.0006435400000000, -0.0003289800000000, -0.0004340900000000 ] - [ -0.0034029600000000, 0.0001380000000000, 0.0012593700000000 ] - [ -0.0005596000000000, 0.0002704900000000, -0.0008064800000000 ] - [ -0.0004021300000000, 0.0000262100000000, -0.0001854000000000 ] - [ 0.0010426700000000, -0.0007126700000000, -0.0006977200000000 ] - [ 0.0011858800000000, -0.0039136400000000, 0.0040347200000000 ] - [ 0.0000421400000000, -0.0002776300000000, 0.0000367500000000 ] - [ -0.0031110400000000, -0.0000442700000000, 0.0011706400000000 ] - [ -0.0040614600000000, 0.0001050400000000, -0.0002846700000000 ] - [ -0.0003419500000000, -0.0001703000000000, -0.0004387100000000 ] - [ 0.0151555600000000, -0.0097583400000000, -0.0011503200000000 ] - [ 0.0008447200000000, 0.0029488900000000, 0.0054313200000000 ] - [ 0.0000842500000000, -0.0000915000000000, -0.0009276400000000 ] - [ 0.0020865800000000, -0.0010858700000000, 0.0005238000000000 ] - [ 0.0008338000000000, 0.0012715300000000, 0.0002270500000000 ] - [ 0.0005008300000000, -0.0002321100000000, 0.0008981700000000 ] - [ -0.0044045900000000, 0.0003815000000000, 0.0060981900000000 ] - [ 0.0000551200000000, -0.0017795500000000, -0.0017581800000000 ] - [ -0.0004595500000000, 0.0003242900000000, 0.0011547900000000 ] - [ 0.0099912600000000, 0.0023642600000000, 0.0055123400000000 ] - [ 0.0006874600000000, 0.0002102600000000, 0.0011659800000000 ] - [ 0.0028765200000000, 0.0008511000000000, 0.0028648300000000 ] - [ -0.0002689200000000, 0.0015163600000000, -0.0012039900000000 ] - [ -0.0001263900000000, 0.0000842900000000, 0.0003520700000000 ] - [ -0.0008455200000000, -0.0006072000000000, 0.0018581500000000 ] - [ 0.0013466000000000, 0.0010719700000000, -0.0018186400000000 ] - [ 0.0003205400000000, 0.0005113800000000, 0.0020142800000000 ] - [ 0.0005802700000000, 0.0006824200000000, 0.0000059800000000 ] - [ -0.0076732100000000, 0.0023504800000000, -0.0010821500000000 ] - [ -0.0086500700000000, 0.0000438300000000, -0.0074712900000000 ] - [ -0.0011462400000000, -0.0006054000000000, -0.0004898600000000 ] - [ 0.0128456600000000, 0.0146067500000000, -0.0086212900000000 ] - [ -0.0002837100000000, -0.0005316500000000, 0.0014875300000000 ] - [ 0.0011646500000000, -0.0003858000000000, -0.0011229800000000 ] - [ -0.0054383100000000, -0.0005126500000000, -0.0001010000000000 ] - [ -0.0014677600000000, -0.0000417300000000, 0.0000924000000000 ] - [ -0.0017325100000000, 0.0003203300000000, -0.0005777100000000 ] - [ 0.0121646700000000, 0.0042781900000000, 0.0252298500000000 ] - [ 0.0136576700000000, -0.0053145500000000, -0.0121272100000000 ] - [ 0.0009777200000000, 0.0008611700000000, 0.0000758800000000 ] - [ 0.0085664100000000, 0.0039422000000000, 0.0000631000000000 ] - [ 0.0013566700000000, 0.0021609200000000, -0.0002660900000000 ] - [ 0.0014693100000000, 0.0011218800000000, -0.0001536000000000 ] - [ 0.0143665500000000, 0.0127713500000000, -0.0056497400000000 ] - [ 0.0016339200000000, 0.0000461300000000, -0.0009870700000000 ] - [ 0.0013929100000000, 0.0007900600000000, 0.0011284800000000 ] - [ 0.0028650300000000, -0.0007993600000000, -0.0003502000000000 ] - [ 0.0029024300000000, -0.0024296100000000, 0.0006495400000000 ] - [ -0.0001909400000000, -0.0007819500000000, -0.0001638600000000 ] - [ -0.1326918500000000, 0.0365304300000000, 0.0059178800000000 ] - [ -0.0032597900000000, 0.0011130500000000, -0.0013635700000000 ] - [ -0.0032577800000000, -0.0010493000000000, 0.0010379400000000 ] - [ 0.0077314300000000, 0.0000438900000000, -0.0018846500000000 ] - [ 0.0065056200000000, -0.0001196700000000, 0.0017131300000000 ] - [ 0.0016343000000000, 0.0006493500000000, -0.0000734400000000 ] - [ -0.0012956600000000, 0.0001263600000000, 0.0019000300000000 ] - [ 0.0002782000000000, -0.0000345300000000, -0.0011526000000000 ] - [ -0.0007912500000000, -0.0006488000000000, -0.0000888300000000 ] - [ 0.0139143000000000, -0.0165723400000000, -0.0004483500000000 ] - [ -0.0000911200000000, 0.0000975400000000, 0.0017420400000000 ] - [ -0.0000893700000000, 0.0005656000000000, -0.0016406100000000 ] - [ 0.0084455300000000, -0.0145667700000000, -0.0004580700000000 ] - [ 0.0005811900000000, -0.0012559800000000, -0.0021355500000000 ] - [ -0.0019240000000000, -0.0012542700000000, 0.0024819800000000 ] - [ 0.0106815000000000, 0.0015126400000000, -0.0180944600000000 ] - [ 0.0106726400000000, 0.0024805600000000, 0.0184086300000000 ] - [ -0.0006598900000000, -0.0007781100000000, -0.0000135700000000 ] - [ -0.0141649400000000, -0.0014948400000000, -0.0026435100000000 ] - [ -0.0141569800000000, -0.0024794700000000, 0.0040065100000000 ] - [ -0.0002364800000000, 0.0007777000000000, -0.0001040200000000 ] - [ 0.0062409000000000, 0.0010270400000000, -0.0005824900000000 ] - [ 0.0019927200000000, -0.0009633700000000, 0.0002556800000000 ] - [ 0.0022056200000000, -0.0009633000000000, -0.0004176000000000 ]- atom: 109 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020927200000000, -0.0033437400000000, -0.0006844700000000 ] - [ 0.0004264400000000, -0.0002985400000000, 0.0001924200000000 ] - [ 0.0004229500000000, -0.0006678600000000, -0.0007417700000000 ] - [ -0.0045352600000000, 0.0106278300000000, -0.0032997800000000 ] - [ -0.0012636100000000, -0.0004075600000000, 0.0004703800000000 ] - [ -0.0010292200000000, 0.0009910900000000, -0.0015755400000000 ] - [ 0.0015331600000000, -0.0003452700000000, -0.0003620500000000 ] - [ 0.0010545000000000, -0.0010061000000000, 0.0011512400000000 ] - [ 0.0002223500000000, -0.0008085300000000, 0.0001258500000000 ] - [ -0.0044606000000000, 0.0000283500000000, 0.0028849400000000 ] - [ 0.0004943600000000, -0.0008182800000000, -0.0013410600000000 ] - [ -0.0003292400000000, 0.0007352400000000, 0.0002401200000000 ] - [ -0.0007667700000000, 0.0052954500000000, -0.0008089200000000 ] - [ -0.0005587000000000, 0.0021014100000000, -0.0010492500000000 ] - [ -0.0003858000000000, 0.0011261100000000, 0.0005545500000000 ] - [ 0.0033635700000000, -0.0072394100000000, 0.0066149300000000 ] - [ 0.0035433400000000, -0.0035570300000000, -0.0007263100000000 ] - [ -0.0005625200000000, 0.0000198200000000, -0.0004613600000000 ] - [ 0.0018259300000000, -0.0004250200000000, -0.0002129200000000 ] - [ 0.0025662200000000, -0.0007613000000000, -0.0009865700000000 ] - [ 0.0010760600000000, -0.0001726300000000, -0.0002807400000000 ] - [ 0.0079135000000000, -0.0000824500000000, 0.0014270100000000 ] - [ 0.0020953100000000, -0.0006290500000000, 0.0017037600000000 ] - [ 0.0006577300000000, -0.0007629600000000, -0.0001213500000000 ] - [ 0.0023156800000000, 0.0053053000000000, 0.0020616200000000 ] - [ -0.0004119900000000, 0.0000974100000000, -0.0004001600000000 ] - [ -0.0006141000000000, 0.0006335900000000, 0.0001427300000000 ] - [ 0.0061751000000000, 0.0017726300000000, -0.0017177600000000 ] - [ 0.0021518800000000, 0.0004051300000000, -0.0010507100000000 ] - [ 0.0016128200000000, 0.0003598000000000, 0.0001162200000000 ] - [ 0.0022520500000000, 0.0001598300000000, -0.0003211600000000 ] - [ 0.0044957000000000, -0.0002917200000000, 0.0023978500000000 ] - [ 0.0002846100000000, 0.0008208300000000, 0.0000532700000000 ] - [ -0.0067636200000000, 0.0027012400000000, 0.0069806900000000 ] - [ -0.0030533600000000, -0.0012718400000000, 0.0003476900000000 ] - [ -0.0002118400000000, -0.0006897800000000, -0.0003024600000000 ] - [ -0.0027769400000000, -0.0026407000000000, 0.0015493000000000 ] - [ -0.0004971100000000, -0.0011480200000000, 0.0001490200000000 ] - [ -0.0009440400000000, -0.0008900300000000, 0.0004707400000000 ] - [ -0.0099640900000000, 0.0018070000000000, 0.0026749300000000 ] - [ -0.0033439000000000, 0.0045173500000000, -0.0002333900000000 ] - [ 0.0004995600000000, 0.0001038600000000, -0.0000310600000000 ] - [ -0.0007585700000000, -0.0022425000000000, -0.0016162900000000 ] - [ -0.0009740100000000, -0.0003757100000000, 0.0010116900000000 ] - [ -0.0009066500000000, -0.0000105700000000, -0.0000380000000000 ] - [ 0.0074842700000000, 0.0049341500000000, 0.0028194200000000 ] - [ 0.0004995000000000, 0.0010054600000000, 0.0006790000000000 ] - [ 0.0006136500000000, 0.0008263100000000, -0.0001753400000000 ] - [ -0.0233981500000000, 0.0098497300000000, 0.0091621400000000 ] - [ -0.0022624600000000, -0.0001277600000000, 0.0051451700000000 ] - [ -0.0005212500000000, 0.0003458200000000, -0.0006350700000000 ] - [ 0.0011035100000000, -0.0007504900000000, 0.0002095200000000 ] - [ 0.0033290100000000, -0.0015691000000000, -0.0007009200000000 ] - [ 0.0006578100000000, -0.0004262100000000, -0.0003647200000000 ] - [ 0.0024314800000000, -0.0007277400000000, 0.0008939000000000 ] - [ 0.0014052200000000, -0.0000614500000000, -0.0002712300000000 ] - [ 0.0005482200000000, -0.0001902700000000, 0.0000692000000000 ] - [ -0.0023779300000000, -0.0007491800000000, -0.0049208200000000 ] - [ -0.0209145400000000, 0.0060851200000000, -0.0055039000000000 ] - [ -0.0006415900000000, 0.0003280600000000, 0.0004382700000000 ] - [ 0.0035370500000000, 0.0000041900000000, -0.0022743000000000 ] - [ 0.0006915100000000, -0.0001375700000000, -0.0002070100000000 ] - [ 0.0005327900000000, 0.0001046400000000, -0.0008223400000000 ] - [ -0.0011767400000000, 0.0008508000000000, -0.0003157400000000 ] - [ -0.0013215200000000, 0.0040511700000000, -0.0050462200000000 ] - [ -0.0001736200000000, 0.0004082900000000, -0.0010455100000000 ] - [ 0.0032408800000000, -0.0000839100000000, -0.0021668200000000 ] - [ 0.0041955200000000, -0.0002443100000000, -0.0007504400000000 ] - [ 0.0004735100000000, 0.0000384600000000, -0.0005723100000000 ] - [ -0.0164391200000000, 0.0100763200000000, -0.0005019100000000 ] - [ -0.0009852600000000, -0.0030799500000000, -0.0064453000000000 ] - [ -0.0002160500000000, -0.0000397300000000, -0.0000787000000000 ] - [ -0.0019594500000000, 0.0009640800000000, 0.0004810100000000 ] - [ -0.0007028900000000, -0.0013968000000000, 0.0007837300000000 ] - [ -0.0003716500000000, 0.0001032700000000, 0.0001110500000000 ] - [ 0.0042806100000000, -0.0002544700000000, -0.0050662500000000 ] - [ -0.0001772600000000, 0.0019090700000000, 0.0027614200000000 ] - [ 0.0003312600000000, -0.0001940900000000, -0.0001450400000000 ] - [ -0.0099296400000000, -0.0021133100000000, -0.0044127800000000 ] - [ -0.0005567500000000, -0.0000789200000000, -0.0001510800000000 ] - [ -0.0027844500000000, -0.0007408100000000, -0.0018986700000000 ] - [ 0.0001436400000000, -0.0016451800000000, 0.0022080100000000 ] - [ -0.0000045300000000, -0.0002161700000000, 0.0006615600000000 ] - [ 0.0007193400000000, 0.0004795200000000, -0.0008497100000000 ] - [ 0.0000066900000000, 0.0002943800000000, 0.0018751700000000 ] - [ 0.0010360700000000, 0.0008625900000000, -0.0019462800000000 ] - [ 0.0007873700000000, 0.0006869500000000, 0.0000533600000000 ] - [ 0.0064487500000000, -0.0037625300000000, 0.0011755600000000 ] - [ 0.0072246900000000, -0.0014807300000000, 0.0074169600000000 ] - [ -0.0002241700000000, -0.0007637300000000, 0.0005486600000000 ] - [ -0.0114148700000000, -0.0158770700000000, 0.0086777100000000 ] - [ 0.0016429400000000, -0.0008369700000000, -0.0014268100000000 ] - [ 0.0001939300000000, -0.0009884800000000, 0.0011867100000000 ] - [ 0.0040658100000000, 0.0018680500000000, 0.0001690100000000 ] - [ 0.0000977500000000, 0.0014030800000000, -0.0000370500000000 ] - [ 0.0003590400000000, 0.0010386500000000, 0.0006459400000000 ] - [ -0.0109466500000000, -0.0029418700000000, -0.0255733200000000 ] - [ -0.0123333400000000, 0.0066459200000000, 0.0121917700000000 ] - [ 0.0003927800000000, 0.0005062300000000, -0.0001432400000000 ] - [ -0.0099244100000000, -0.0025686400000000, -0.0000901600000000 ] - [ -0.0027250200000000, -0.0007930700000000, 0.0002050100000000 ] - [ -0.0028435100000000, 0.0002444400000000, 0.0000736400000000 ] - [ -0.0130178200000000, -0.0142396200000000, 0.0055553400000000 ] - [ -0.0002640800000000, -0.0014145700000000, 0.0009231600000000 ] - [ -0.0000255600000000, -0.0021694200000000, -0.0011977200000000 ] - [ -0.0042314600000000, -0.0005845700000000, 0.0002831400000000 ] - [ -0.0042644700000000, 0.0010572400000000, -0.0007069600000000 ] - [ -0.0011769500000000, -0.0005877700000000, 0.0000977400000000 ] - [ 0.1342138000000000, -0.0371657500000000, -0.0055194600000000 ] - [ 0.0046713000000000, -0.0025101800000000, 0.0013482000000000 ] - [ 0.0046735400000000, -0.0003292800000000, -0.0010430400000000 ] - [ -0.0063354600000000, 0.0013878200000000, 0.0018729900000000 ] - [ -0.0051003600000000, 0.0015427100000000, -0.0016944900000000 ] - [ -0.0002310300000000, 0.0007587800000000, 0.0000677700000000 ] - [ -0.0000919800000000, -0.0015359400000000, -0.0018934900000000 ] - [ -0.0016660100000000, -0.0013787000000000, 0.0011570700000000 ] - [ -0.0006093900000000, -0.0007583900000000, 0.0000837800000000 ] - [ -0.0152741800000000, 0.0178106300000000, 0.0004787600000000 ] - [ -0.0013200000000000, 0.0013064300000000, -0.0017466900000000 ] - [ -0.0013182900000000, 0.0008323800000000, 0.0016349200000000 ] - [ -0.0098564500000000, 0.0161358100000000, 0.0005007400000000 ] - [ -0.0019736900000000, 0.0026685500000000, 0.0021252100000000 ] - [ 0.0005439700000000, 0.0026698500000000, -0.0024939300000000 ] - [ -0.0120593800000000, -0.0029042700000000, 0.0179173800000000 ] - [ -0.0120687200000000, -0.0039202900000000, -0.0182785600000000 ] - [ -0.0007494600000000, -0.0006246100000000, 0.0000080900000000 ] - [ 0.0155901500000000, 0.0029221400000000, 0.0026897900000000 ] - [ 0.0155977600000000, 0.0039211700000000, -0.0040704400000000 ] - [ 0.0016430300000000, 0.0006241200000000, 0.0000977400000000 ] - [ -0.0048326500000000, -0.0024251700000000, 0.0005861800000000 ] - [ -0.0005877800000000, -0.0004430800000000, -0.0002566700000000 ] - [ -0.0008043300000000, -0.0004429500000000, 0.0004116500000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014092300000000, 0.0027153500000000, 0.0040707900000000 ] - [ 0.0005954500000000, -0.0006108600000000, -0.0013186400000000 ] - [ 0.0010065300000000, -0.0012858500000000, -0.0014614000000000 ] - [ -0.0020124400000000, -0.0063059300000000, 0.0121208800000000 ] - [ -0.0011982800000000, 0.0002793700000000, -0.0018377800000000 ] - [ 0.0008458400000000, 0.0023099500000000, -0.0033323600000000 ] - [ 0.0011726500000000, -0.0012283100000000, 0.0017531000000000 ] - [ -0.0001657500000000, -0.0010446400000000, 0.0003275400000000 ] - [ -0.0005441100000000, -0.0006041100000000, -0.0012186800000000 ] - [ -0.0066675400000000, 0.0057366500000000, 0.0042837200000000 ] - [ 0.0038090400000000, -0.0019704500000000, -0.0022218900000000 ] - [ 0.0010129500000000, 0.0005914100000000, -0.0020614000000000 ] - [ -0.0063344700000000, -0.0004430700000000, 0.0117269000000000 ] - [ 0.0023625500000000, 0.0024827400000000, -0.0037080400000000 ] - [ 0.0003274600000000, 0.0004340000000000, -0.0022045400000000 ] - [ -0.0035983100000000, 0.0038611500000000, -0.0026253400000000 ] - [ 0.0041487500000000, -0.0066498800000000, 0.0039189800000000 ] - [ -0.0010336700000000, 0.0010533400000000, -0.0024270700000000 ] - [ 0.0005846100000000, -0.0002130800000000, -0.0000470800000000 ] - [ 0.0003985600000000, 0.0011294100000000, 0.0013925200000000 ] - [ 0.0010238800000000, -0.0005863800000000, -0.0015843300000000 ] - [ 0.0026679900000000, -0.0002211100000000, 0.0036955300000000 ] - [ -0.0013294200000000, -0.0006197200000000, -0.0018252300000000 ] - [ -0.0006568700000000, -0.0010316200000000, -0.0016874800000000 ] - [ -0.0023804300000000, -0.0007282200000000, 0.0013456400000000 ] - [ -0.0004461500000000, 0.0004975700000000, -0.0003775500000000 ] - [ -0.0012896200000000, -0.0012841000000000, -0.0018852900000000 ] - [ -0.0009060400000000, -0.0004285500000000, 0.0028265500000000 ] - [ 0.0019261100000000, 0.0000337800000000, -0.0017542400000000 ] - [ 0.0007222700000000, 0.0006184500000000, -0.0019024100000000 ] - [ 0.0018075200000000, -0.0002368200000000, -0.0000615400000000 ] - [ -0.0016022200000000, 0.0020584800000000, 0.0008483400000000 ] - [ -0.0008601000000000, 0.0010432600000000, -0.0018233200000000 ] - [ -0.0037475500000000, -0.0023698100000000, -0.0052261600000000 ] - [ 0.0043331200000000, -0.0054902900000000, 0.0081010400000000 ] - [ 0.0013693400000000, -0.0010461800000000, -0.0027413300000000 ] - [ -0.0004721000000000, -0.0025316400000000, 0.0031921600000000 ] - [ 0.0005732800000000, -0.0009054100000000, -0.0015314700000000 ] - [ -0.0000072900000000, 0.0002955800000000, -0.0013910300000000 ] - [ -0.0036378900000000, 0.0048569400000000, 0.0076595000000000 ] - [ -0.0007440500000000, -0.0039183600000000, -0.0048960900000000 ] - [ 0.0005804400000000, 0.0013241700000000, -0.0023720000000000 ] - [ 0.0004270900000000, -0.0015624100000000, 0.0012071900000000 ] - [ -0.0018691200000000, 0.0018588900000000, 0.0003138200000000 ] - [ -0.0005850800000000, -0.0008156100000000, -0.0014564200000000 ] - [ -0.0006531100000000, -0.0007280900000000, 0.0017182400000000 ] - [ -0.0012432300000000, 0.0003372400000000, -0.0015180700000000 ] - [ 0.0005344500000000, 0.0011786300000000, -0.0000179200000000 ] - [ -0.0088706600000000, 0.0061720500000000, 0.0239002900000000 ] - [ -0.0015540000000000, 0.0016896300000000, -0.0048034900000000 ] - [ 0.0006716500000000, -0.0006198100000000, -0.0034041600000000 ] - [ -0.0008798500000000, 0.0008960300000000, -0.0002955400000000 ] - [ -0.0001967800000000, -0.0007153000000000, 0.0026428800000000 ] - [ 0.0004786300000000, -0.0005458000000000, -0.0022234000000000 ] - [ -0.0007110600000000, -0.0001977500000000, 0.0026347700000000 ] - [ 0.0008964000000000, -0.0008828700000000, -0.0002884200000000 ] - [ -0.0005436600000000, 0.0004772900000000, -0.0022255100000000 ] - [ 0.0016744100000000, -0.0015404500000000, -0.0047967900000000 ] - [ 0.0068506000000000, -0.0095084100000000, 0.0244216300000000 ] - [ -0.0006242400000000, 0.0006755400000000, -0.0034060900000000 ] - [ -0.0016130000000000, -0.0009396700000000, 0.0020905700000000 ] - [ 0.0002702400000000, 0.0006585700000000, -0.0010545500000000 ] - [ 0.0008969200000000, 0.0006167900000000, -0.0024442100000000 ] - [ -0.0019992000000000, -0.0007690800000000, -0.0022094200000000 ] - [ 0.0030511200000000, 0.0000785000000000, 0.0058674800000000 ] - [ -0.0008347600000000, 0.0012669100000000, -0.0032536800000000 ] - [ 0.0013259300000000, -0.0000136900000000, -0.0018971200000000 ] - [ -0.0019141400000000, 0.0012495000000000, 0.0035143100000000 ] - [ 0.0010330600000000, -0.0009407100000000, -0.0030495700000000 ] - [ 0.0042417000000000, -0.0027705700000000, 0.0068916900000000 ] - [ -0.0009230200000000, -0.0036833200000000, -0.0076250800000000 ] - [ -0.0016105200000000, -0.0011788000000000, -0.0041133900000000 ] - [ 0.0013797200000000, -0.0020479800000000, 0.0045140500000000 ] - [ 0.0001212300000000, 0.0011996200000000, -0.0008819100000000 ] - [ -0.0008094700000000, 0.0009015300000000, -0.0020376500000000 ] - [ -0.0000505500000000, 0.0031640400000000, 0.0068414100000000 ] - [ -0.0009072700000000, -0.0018661800000000, -0.0011881500000000 ] - [ 0.0011325500000000, -0.0007039000000000, -0.0022397500000000 ] - [ -0.0027235600000000, 0.0046817100000000, 0.0081138100000000 ] - [ -0.0010476400000000, -0.0014845100000000, -0.0031068300000000 ] - [ -0.0035424700000000, -0.0007973500000000, -0.0065972900000000 ] - [ -0.0010720900000000, -0.0017459300000000, 0.0031083000000000 ] - [ 0.0004835000000000, 0.0007651100000000, -0.0014294300000000 ] - [ 0.0005283600000000, 0.0001418100000000, -0.0000496900000000 ] - [ -0.0008079900000000, 0.0008217800000000, -0.0004435900000000 ] - [ 0.0018580600000000, 0.0004076300000000, -0.0023243500000000 ] - [ 0.0004396500000000, 0.0006662600000000, 0.0028092000000000 ] - [ 0.0095108700000000, -0.0150928200000000, 0.0103556400000000 ] - [ -0.0015362500000000, 0.0126737000000000, 0.0082135900000000 ] - [ -0.0003295000000000, -0.0004752700000000, 0.0043187100000000 ] - [ 0.0016195900000000, 0.0016969200000000, -0.0111184500000000 ] - [ 0.0018894000000000, 0.0004193000000000, 0.0031417200000000 ] - [ -0.0015607800000000, -0.0024311500000000, 0.0034048300000000 ] - [ -0.0013959600000000, 0.0016833000000000, -0.0063490200000000 ] - [ -0.0001537600000000, 0.0012048600000000, 0.0025646600000000 ] - [ -0.0008561300000000, -0.0002763000000000, 0.0033962800000000 ] - [ 0.0138893700000000, -0.0001150200000000, 0.0082554000000000 ] - [ -0.0139042400000000, 0.0108760600000000, 0.0104318200000000 ] - [ 0.0008892500000000, 0.0010386500000000, 0.0042557900000000 ] - [ 0.0003137100000000, -0.0000293300000000, -0.0064166300000000 ] - [ -0.0016464900000000, 0.0005100500000000, 0.0033319200000000 ] - [ -0.0001609900000000, 0.0012138800000000, 0.0025095400000000 ] - [ 0.0031274100000000, 0.0003072100000000, -0.0112570100000000 ] - [ -0.0010746400000000, -0.0029391700000000, 0.0033434300000000 ] - [ 0.0017819200000000, 0.0005105600000000, 0.0030849000000000 ] - [ -0.0009566700000000, 0.0004898300000000, -0.0023711500000000 ] - [ -0.0005414700000000, -0.0021764000000000, -0.0005163800000000 ] - [ -0.0007024000000000, -0.0009298400000000, 0.0027491400000000 ] - [ 0.0060792300000000, 0.0053792500000000, -0.1275495300000000 ] - [ 0.0017451900000000, -0.0020629600000000, 0.0088100400000000 ] - [ -0.0006493300000000, 0.0003353100000000, 0.0087770700000000 ] - [ 0.0025801600000000, -0.0004533700000000, -0.0021182500000000 ] - [ -0.0010091000000000, 0.0026044400000000, -0.0012185400000000 ] - [ 0.0007730300000000, 0.0006166600000000, 0.0039384000000000 ] - [ 0.0011892900000000, -0.0023986500000000, -0.0012023400000000 ] - [ -0.0018561300000000, 0.0011771400000000, -0.0021324200000000 ] - [ -0.0007895200000000, -0.0006321800000000, 0.0039372400000000 ] - [ -0.0002529200000000, 0.0011797500000000, -0.0184446500000000 ] - [ 0.0009396300000000, -0.0010470200000000, 0.0033648000000000 ] - [ -0.0024413600000000, 0.0023360300000000, 0.0033684600000000 ] - [ -0.0011606700000000, 0.0002025100000000, -0.0146087600000000 ] - [ -0.0028350900000000, 0.0031985000000000, 0.0052123500000000 ] - [ 0.0017770200000000, -0.0014254700000000, 0.0052161500000000 ] - [ -0.0189681400000000, -0.0033777200000000, 0.0096180100000000 ] - [ 0.0173811200000000, 0.0033386500000000, 0.0096550000000000 ] - [ -0.0006893600000000, -0.0008031700000000, 0.0045689900000000 ] - [ 0.0047381400000000, 0.0186301600000000, 0.0096161800000000 ] - [ -0.0019551400000000, -0.0177191800000000, 0.0096537700000000 ] - [ 0.0006015800000000, 0.0007108400000000, 0.0045689400000000 ] - [ 0.0012865100000000, -0.0001180900000000, -0.0041133500000000 ] - [ 0.0004453100000000, -0.0002871000000000, 0.0018989500000000 ] - [ 0.0011162500000000, -0.0009574200000000, 0.0019070900000000 ]